#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iny n ALA 2 N 0.00 2.20 -4.05 1.79 0.00 -1.26 -4.60 120.51 114.60 2iny n ALA 2 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 2iny n ALA 2 Cb 0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.30 2iny n ALA 2 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2iny s LEU 3 N -0.36 2.91 -0.25 0.00 0.20 -1.26 -5.10 118.68 114.82 2iny s LEU 3 Ca 0.00 -1.04 -0.22 0.00 0.69 0.00 0.00 54.13 53.56 2iny s LEU 3 Cb 0.00 -1.54 0.07 0.00 -0.43 0.00 0.00 46.19 44.29 2iny s LEU 3 CO 0.00 -0.11 0.65 0.42 -0.29 0.00 0.00 176.35 177.02 2iny s THR 4 N 1.20 -0.00 0.07 3.68 -4.23 -1.26 -5.16 115.64 109.94 2iny s THR 4 Ca -0.02 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.18 2iny s THR 4 Cb -0.17 -0.91 -0.06 0.00 1.34 0.00 0.00 72.50 72.70 2iny s THR 4 CO -0.08 0.00 1.13 -2.84 -0.54 0.00 0.00 174.62 172.29 2iny s PRO 5 N 0.48 4.49 0.00 3.99 0.02 -1.26 -4.89 135.00 137.84 2iny s PRO 5 Ca -0.01 1.69 0.00 0.00 0.02 0.00 0.00 61.00 62.70 2iny s PRO 5 Cb -0.05 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.12 2iny s PRO 5 CO -0.01 -0.14 0.01 -3.47 -0.33 0.00 0.00 177.00 173.05 2iny n ASP 6 N 3.58 0.00 -2.73 2.53 4.64 -1.26 -2.42 116.55 120.89 2iny n ASP 6 Ca 0.07 0.00 -0.06 0.00 -1.38 0.00 0.00 54.79 53.42 2iny n ASP 6 Cb 0.47 0.00 0.04 0.00 -1.04 0.00 0.00 41.12 40.59 2iny n ASP 6 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 2iny n LEU 7 N -0.35 -2.70 -4.33 -2.67 7.94 -1.26 -5.12 117.00 108.50 2iny n LEU 7 Ca 0.00 -2.82 -0.33 0.00 -1.11 0.00 0.00 56.01 51.75 2iny n LEU 7 Cb 0.00 0.76 -0.14 0.00 0.53 0.00 0.00 43.42 44.56 2iny n LEU 7 CO 0.00 1.86 -0.44 -0.89 -1.11 0.00 0.00 177.39 176.81 2iny s THR 8 N 0.67 3.05 -1.01 1.96 2.01 -1.02 -4.65 115.64 116.65 2iny s THR 8 Ca 0.30 -0.64 -0.04 0.00 0.31 0.00 0.00 61.69 61.62 2iny s THR 8 Cb 0.16 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 2iny s THR 8 CO -0.17 0.50 0.87 1.07 -0.69 0.00 0.00 174.62 176.20 2iny n THR 9 N 3.98 -7.64 -3.95 -0.82 5.66 -1.26 -5.05 114.28 105.19 2iny n THR 9 Ca -0.18 -1.01 -0.22 0.00 -3.05 0.00 0.00 64.05 59.59 2iny n THR 9 Cb 0.52 -5.82 -0.05 0.00 -1.55 0.00 0.00 70.33 63.43 2iny n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2iny s ALA 10 N -3.35 3.68 0.00 1.79 0.00 -1.26 -4.57 121.76 118.05 2iny s ALA 10 Ca 0.30 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.56 2iny s ALA 10 Cb -0.04 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 22.06 2iny s ALA 10 CO 0.68 0.04 0.00 2.41 0.00 0.00 0.00 175.76 178.89 2iny n THR 11 N -1.27 0.00 -0.30 0.00 -1.04 -1.26 0.22 114.28 110.63 2iny n THR 11 Ca -0.03 0.00 0.35 0.00 -2.04 0.00 0.00 64.05 62.33 2iny n THR 11 Cb 0.60 0.00 0.71 0.00 -1.82 0.00 0.00 70.33 69.82 2iny n THR 11 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2iny h PRO 12 N 0.00 0.00 0.25 -2.82 0.11 -1.98 0.67 132.00 128.23 2iny h PRO 12 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2iny h PRO 12 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2iny h PRO 12 CO 0.00 0.00 -0.12 0.00 -0.21 0.00 0.00 178.00 177.67 2iny h ARG 13 N 0.00 -0.32 0.00 1.05 2.47 0.24 -0.29 114.38 117.53 2iny h ARG 13 Ca 0.56 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.30 2iny h ARG 13 Cb 2.47 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 30.87 2iny h ARG 13 CO -0.01 -0.21 0.16 1.28 0.56 0.00 0.00 179.97 181.75 2iny n LEU 14 N -4.01 0.30 -0.02 3.04 4.77 -0.26 -2.59 117.00 118.23 2iny n LEU 14 Ca -0.04 0.56 -0.00 0.00 -0.03 0.00 0.00 56.01 56.50 2iny n LEU 14 Cb 0.13 -0.56 -0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2iny n LEU 14 CO 0.10 -0.67 -0.01 1.56 -1.33 0.00 0.00 177.39 177.04 2iny h GLN 15 N 0.00 0.00 -0.64 3.23 4.20 0.51 0.46 115.11 122.87 2iny h GLN 15 Ca 0.00 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.84 2iny h GLN 15 Cb 0.32 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.98 2iny h GLN 15 CO 0.00 0.00 -0.12 -0.92 -0.67 0.00 0.00 178.83 177.12 2iny h TYR 16 N -0.42 -0.26 -0.33 2.96 3.20 -0.79 -2.89 116.97 118.45 2iny h TYR 16 Ca 0.00 0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.77 2iny h TYR 16 Cb 0.01 0.22 -0.09 0.00 1.54 0.00 0.00 36.73 38.41 2iny h TYR 16 CO -0.01 -0.25 0.20 1.19 -1.64 0.00 0.00 178.16 177.65 2iny n PHE 17 N -5.40 1.02 -4.06 -3.82 3.72 -1.18 -4.89 117.46 102.85 2iny n PHE 17 Ca 0.08 -0.86 -0.40 0.00 -0.05 0.00 0.00 57.45 56.22 2iny n PHE 17 Cb 0.35 -0.46 -0.00 0.00 -0.94 0.00 0.00 39.48 38.42 2iny n PHE 17 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2iny n HIS 18 N -0.03 -1.45 0.36 1.38 8.25 -1.09 -4.82 115.22 117.81 2iny n HIS 18 Ca 0.19 0.28 0.04 0.00 -0.26 0.00 0.00 57.72 57.97 2iny n HIS 18 Cb 0.86 -2.95 -0.02 0.00 1.12 0.00 0.00 29.99 29.00 2iny n HIS 18 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2iny n ILE 19 N -4.80 0.00 0.00 1.59 2.08 -0.20 -3.86 119.36 114.18 2iny n ILE 19 Ca -0.17 -0.37 0.00 0.00 0.56 0.00 0.00 62.75 62.77 2iny n ILE 19 Cb 0.60 1.06 0.00 0.00 -0.75 0.00 0.00 39.64 40.55 2iny n ILE 19 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2iny n ALA 20 N -0.67 0.00 -0.17 -1.39 0.00 0.14 -4.79 120.51 113.63 2iny n ALA 20 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2iny n ALA 20 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 2iny n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iny n GLY 21 N 0.00 2.73 3.91 0.00 0.00 -1.26 -4.61 105.19 105.96 2iny n GLY 21 Ca 0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2iny n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2iny s PRO 22 N 0.00 3.58 1.25 1.61 0.04 -1.26 -5.09 135.00 135.13 2iny s PRO 22 Ca 0.00 -0.18 -0.21 0.00 0.04 0.00 0.00 61.00 60.65 2iny s PRO 22 Cb 0.00 -2.77 0.32 0.00 0.04 0.00 0.00 34.50 32.09 2iny s PRO 22 CO 0.00 0.34 0.98 0.41 0.04 0.00 0.00 177.00 178.77 2iny n GLY 23 N -0.67 -3.14 0.29 0.56 0.00 -1.26 -4.72 105.19 96.25 2iny n GLY 23 Ca -0.03 -1.43 0.07 0.00 0.00 0.00 0.00 46.02 44.63 2iny n GLY 23 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2iny h THR 24 N -2.96 1.02 0.01 2.61 1.35 -1.89 -2.16 112.91 110.89 2iny h THR 24 Ca -0.39 -0.08 -0.21 0.00 -0.55 0.00 0.00 66.41 65.19 2iny h THR 24 Cb 1.22 0.77 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 2iny h THR 24 CO 0.25 0.04 -0.98 0.08 -0.25 0.00 0.00 175.52 174.66 2iny h ARG 25 N 0.22 0.03 0.00 4.72 0.11 -1.92 0.65 114.38 118.21 2iny h ARG 25 Ca 0.08 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.11 2iny h ARG 25 Cb 0.06 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.16 2iny h ARG 25 CO -0.02 0.98 0.00 0.39 0.10 0.00 0.00 179.97 181.42 2iny n GLU 26 N -3.43 0.58 0.00 0.08 1.02 -0.84 -3.89 120.64 114.16 2iny n GLU 26 Ca -0.01 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2iny n GLU 26 Cb 0.91 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 2iny n GLU 26 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 2iny n TYR 27 N -1.14 0.00 -2.40 -0.32 0.18 -1.05 -4.86 117.16 107.57 2iny n TYR 27 Ca 0.15 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.58 2iny n TYR 27 Cb 0.14 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.08 2iny n TYR 27 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2iny s LEU 28 N -0.46 3.87 -0.03 -3.48 1.43 0.23 -4.91 118.68 115.33 2iny s LEU 28 Ca 0.00 2.09 -0.37 0.00 -1.03 0.00 0.00 54.13 54.82 2iny s LEU 28 Cb 0.00 -4.47 -0.15 0.00 0.03 0.00 0.00 46.19 41.60 2iny s LEU 28 CO 0.00 -0.92 1.59 -0.24 0.23 0.00 0.00 176.35 177.01 2iny n SER 29 N -0.90 2.42 -0.31 2.29 2.88 -1.26 -4.77 113.62 113.97 2iny n SER 29 Ca 0.09 1.08 0.14 0.00 -1.33 0.00 0.00 58.87 58.84 2iny n SER 29 Cb 0.51 -1.25 0.32 0.00 -0.75 0.00 0.00 64.21 63.04 2iny n SER 29 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2iny h GLU 30 N 6.33 0.46 0.00 -1.46 4.57 -1.94 0.76 114.58 123.30 2iny h GLU 30 Ca -0.47 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 57.53 2iny h GLU 30 Cb 1.31 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 2iny h GLU 30 CO 0.88 0.31 -0.82 0.22 -1.18 0.00 0.00 179.01 178.42 2iny h ASP 31 N 0.48 0.00 -0.69 1.04 3.58 -2.01 -3.08 116.42 115.73 2iny h ASP 31 Ca 0.57 0.00 0.11 0.00 0.42 0.00 0.00 57.03 58.13 2iny h ASP 31 Cb 1.05 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.02 2iny h ASP 31 CO -0.49 0.68 0.31 0.25 -2.88 0.00 0.00 179.24 177.11 2iny h LEU 32 N 0.00 0.35 -0.20 2.28 5.85 0.04 -2.60 115.31 121.03 2iny h LEU 32 Ca -0.04 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.82 2iny h LEU 32 Cb 1.55 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.54 2iny h LEU 32 CO 0.08 0.19 -0.33 1.56 -0.34 0.00 0.00 178.44 179.60 2iny h GLN 33 N 0.51 -0.35 0.00 1.25 1.08 -0.66 -2.91 115.11 114.03 2iny h GLN 33 Ca 0.36 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.58 2iny h GLN 33 Cb 0.44 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2iny h GLN 33 CO -0.31 -0.24 0.00 1.04 -0.95 0.00 0.00 178.83 178.37 2iny n GLN 34 N -5.41 0.00 -0.09 1.46 1.13 -0.98 -2.17 117.38 111.32 2iny n GLN 34 Ca -0.02 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.06 2iny n GLN 34 Cb 0.33 -0.16 0.05 0.00 0.11 0.00 0.00 30.24 30.57 2iny n GLN 34 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2iny n PHE 35 N 0.00 0.12 -0.35 1.08 7.35 -1.25 0.21 117.46 124.61 2iny n PHE 35 Ca 0.00 0.30 0.09 0.00 -0.76 0.00 0.00 57.45 57.08 2iny n PHE 35 Cb 0.00 -0.66 0.19 0.00 0.35 0.00 0.00 39.48 39.36 2iny n PHE 35 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2iny h ILE 36 N 0.00 0.01 0.06 -2.13 1.08 -1.22 0.54 117.51 115.85 2iny h ILE 36 Ca 0.13 -0.00 -0.32 0.00 -0.39 0.00 0.00 64.86 64.28 2iny h ILE 36 Cb 0.23 0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 33.96 2iny h ILE 36 CO -0.24 0.00 -1.75 0.77 -0.69 0.00 0.00 178.15 176.24 2iny h SER 37 N 0.00 0.20 0.00 1.72 4.64 0.27 -3.16 113.55 117.23 2iny h SER 37 Ca 0.52 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2iny h SER 37 Cb 0.91 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2iny h SER 37 CO -0.99 1.36 0.00 0.00 -0.87 0.00 0.00 176.83 176.33 2iny n ALA 38 N -2.71 2.01 -1.88 5.18 0.00 0.16 -3.10 120.51 120.18 2iny n ALA 38 Ca -0.21 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2iny n ALA 38 Cb 1.05 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.40 2iny n ALA 38 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2iny n THR 39 N -0.70 0.00 0.57 0.00 -2.24 0.16 -4.88 114.28 107.19 2iny n THR 39 Ca 0.05 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.89 2iny n THR 39 Cb 0.02 0.19 0.31 0.00 -2.10 0.00 0.00 70.33 68.75 2iny n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iny n GLY 40 N 0.00 -0.77 0.25 3.38 0.00 -1.18 -1.71 105.19 105.17 2iny n GLY 40 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2iny n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2iny n SER 41 N -1.34 0.39 0.00 1.61 3.41 -1.26 -3.93 113.62 112.50 2iny n SER 41 Ca 0.05 -1.53 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 2iny n SER 41 Cb 0.11 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 2iny n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2iny n TYR 42 N -0.19 0.00 -2.72 7.33 4.11 -0.69 -5.07 117.16 119.93 2iny n TYR 42 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.88 2iny n TYR 42 Cb 0.10 0.00 0.11 0.00 -0.00 0.00 0.00 39.34 39.54 2iny n TYR 42 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2iny n PHE 43 N 0.00 -1.14 0.00 -3.48 7.35 -0.99 -5.13 117.46 114.07 2iny n PHE 43 Ca 0.00 -1.88 0.00 0.00 -0.76 0.00 0.00 57.45 54.81 2iny n PHE 43 Cb 0.00 1.05 0.00 0.00 0.35 0.00 0.00 39.48 40.88 2iny n PHE 43 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2iny n ASP 44 N -1.20 0.00 0.00 -2.13 2.03 -1.26 -4.84 116.55 109.15 2iny n ASP 44 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2iny n ASP 44 Cb 0.86 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.26 2iny n ASP 44 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2iny n LEU 45 N 0.00 0.00 -1.34 -2.67 4.77 -1.26 -4.98 117.00 111.52 2iny n LEU 45 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2iny n LEU 45 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2iny n LEU 45 CO 0.00 0.18 0.22 0.29 -1.33 0.00 0.00 177.39 176.74 2iny n LYS 46 N 0.00 0.31 0.01 3.23 4.76 -1.26 -2.99 118.16 122.22 2iny n LYS 46 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2iny n LYS 46 Cb 0.24 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 2iny n LYS 46 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2iny n ASN 47 N 1.24 -0.08 -1.49 4.39 6.94 -1.26 -4.94 115.26 120.06 2iny n ASN 47 Ca 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.61 2iny n ASN 47 Cb 0.15 0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 2iny n ASN 47 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2iny n LYS 48 N -2.58 0.00 -3.15 -3.83 5.02 -1.16 -2.82 118.16 109.64 2iny n LYS 48 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 2iny n LYS 48 Cb 0.00 -0.74 -0.00 0.00 -0.02 0.00 0.00 35.03 34.27 2iny n LYS 48 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2iny s PHE 49 N 0.27 -0.52 -0.02 2.13 0.08 -1.26 -5.16 117.98 113.49 2iny s PHE 49 Ca 0.00 0.31 -0.18 0.00 0.12 0.00 0.00 56.93 57.18 2iny s PHE 49 Cb 0.00 0.09 -0.05 0.00 -0.57 0.00 0.00 43.02 42.49 2iny s PHE 49 CO 0.00 -0.30 0.49 -0.98 -0.10 0.00 0.00 175.22 174.33 2iny s ARG 50 N 2.95 4.18 -1.14 0.44 1.70 -1.13 -4.86 118.95 121.09 2iny s ARG 50 Ca 0.27 0.54 -0.07 0.00 -0.47 0.00 0.00 55.73 55.99 2iny s ARG 50 Cb -0.02 -3.31 0.26 0.00 -0.57 0.00 0.00 34.95 31.30 2iny s ARG 50 CO -0.23 0.46 1.46 1.04 -1.08 0.00 0.00 175.30 176.95 2iny n GLN 51 N 2.55 3.95 -0.94 3.89 6.02 -1.26 -4.75 117.38 126.84 2iny n GLN 51 Ca -0.10 -4.25 -0.35 0.00 -0.01 0.00 0.00 57.00 52.29 2iny n GLN 51 Cb 0.52 -2.66 -0.04 0.00 1.02 0.00 0.00 30.24 29.07 2iny n GLN 51 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2iny n THR 52 N 2.44 0.40 0.00 5.09 5.66 -1.25 -4.91 114.28 121.72 2iny n THR 52 Ca 0.29 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 61.19 2iny n THR 52 Cb 0.36 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 2iny n THR 52 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2iny n VAL 53 N 0.65 0.00 0.00 1.08 0.31 -1.26 -4.78 118.33 114.33 2iny n VAL 53 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 2iny n VAL 53 Cb 0.09 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 2iny n VAL 53 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2iny n VAL 54 N 0.00 0.00 -4.09 2.52 3.14 -1.26 -4.86 118.33 113.78 2iny n VAL 54 Ca 0.00 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.29 2iny n VAL 54 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 2iny n VAL 54 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2iny s ALA 55 N -2.51 0.59 0.27 1.55 0.00 -1.26 -5.13 121.76 115.27 2iny s ALA 55 Ca 0.00 -1.08 -0.29 0.00 0.00 0.00 0.00 51.96 50.59 2iny s ALA 55 Cb 0.00 0.18 -0.09 0.00 0.00 0.00 0.00 23.12 23.21 2iny s ALA 55 CO 0.00 -0.24 1.19 -1.25 0.00 0.00 0.00 175.76 175.46 2iny s PRO 56 N -3.12 4.51 -0.23 0.00 0.04 -1.26 -4.93 135.00 130.02 2iny s PRO 56 Ca 0.02 1.96 0.11 0.00 0.04 0.00 0.00 61.00 63.12 2iny s PRO 56 Cb 0.01 -3.16 0.43 0.00 0.04 0.00 0.00 34.50 31.82 2iny s PRO 56 CO -0.05 0.01 1.21 0.25 0.04 0.00 0.00 177.00 178.46 2iny n THR 57 N 1.40 2.21 -4.12 1.26 -2.24 -1.26 -4.98 114.28 106.55 2iny n THR 57 Ca 0.01 -3.44 -0.10 0.00 -2.27 0.00 0.00 64.05 58.25 2iny n THR 57 Cb 0.44 -0.43 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 2iny n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iny s ARG 58 N -3.24 0.98 0.00 -0.78 1.70 -1.26 -4.96 118.95 111.40 2iny s ARG 58 Ca 0.41 -1.41 0.00 0.00 -0.47 0.00 0.00 55.73 54.27 2iny s ARG 58 Cb 0.38 0.27 0.00 0.00 -0.57 0.00 0.00 34.95 35.03 2iny s ARG 58 CO -0.04 -0.30 0.00 0.27 -1.08 0.00 0.00 175.30 174.15 2iny n ASN 59 N -0.13 0.00 0.00 -2.89 0.23 -1.26 -4.64 115.26 106.58 2iny n ASN 59 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.00 2iny n ASN 59 Cb 0.64 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.34 2iny n ASN 59 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 2iny n VAL 60 N -0.39 0.00 -2.48 3.53 0.31 -1.26 -4.79 118.33 113.25 2iny n VAL 60 Ca 0.00 0.16 -0.24 0.00 -0.01 0.00 0.00 64.34 64.26 2iny n VAL 60 Cb 0.00 -1.10 0.08 0.00 -0.91 0.00 0.00 33.84 31.91 2iny n VAL 60 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2iny s THR 61 N -0.43 2.34 0.63 2.52 -1.32 -1.26 -0.59 115.64 117.53 2iny s THR 61 Ca 0.00 -0.52 -0.04 0.00 -1.21 0.00 0.00 61.69 59.92 2iny s THR 61 Cb 0.00 -2.82 0.04 0.00 -1.51 0.00 0.00 72.50 68.20 2iny s THR 61 CO 0.00 0.00 0.91 0.28 -2.21 0.00 0.00 174.62 173.60 2iny s THR 62 N -3.07 2.76 -0.04 5.08 -1.32 -1.12 -4.27 115.64 113.66 2iny s THR 62 Ca 0.62 -0.32 0.01 0.00 -1.21 0.00 0.00 61.69 60.79 2iny s THR 62 Cb -0.08 -3.12 -0.03 0.00 -1.51 0.00 0.00 72.50 67.75 2iny s THR 62 CO 0.43 -0.12 -0.03 -0.62 -2.21 0.00 0.00 174.62 172.07 2iny n GLU 63 N -2.66 0.54 -2.94 7.08 4.71 -1.26 -4.99 120.64 121.12 2iny n GLU 63 Ca 0.07 0.02 -0.40 0.00 -0.01 0.00 0.00 57.16 56.84 2iny n GLU 63 Cb 0.59 -1.09 -0.04 0.00 -1.01 0.00 0.00 31.44 29.90 2iny n GLU 63 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 2iny s LYS 64 N -2.09 4.46 -0.35 3.49 0.00 -1.26 -4.96 119.74 119.02 2iny s LYS 64 Ca -0.05 1.04 -0.42 0.00 0.00 0.00 0.00 55.97 56.54 2iny s LYS 64 Cb 0.01 -3.46 -0.16 0.00 0.00 0.00 0.00 37.83 34.22 2iny s LYS 64 CO 0.11 -0.00 1.79 0.00 0.00 0.00 0.00 175.35 177.24 2iny n ALA 65 N 3.94 -0.29 -2.75 0.59 0.00 -1.26 -4.96 120.51 115.79 2iny n ALA 65 Ca 0.01 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2iny n ALA 65 Cb 0.51 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.78 2iny n ALA 65 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2iny n GLN 66 N 5.54 3.86 -3.72 0.00 7.27 -1.26 -5.14 117.38 123.93 2iny n GLN 66 Ca 0.31 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 57.09 2iny n GLN 66 Cb 0.08 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.58 2iny n GLN 66 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2iny s ARG 67 N 1.97 0.66 0.29 3.69 0.52 -1.26 -4.98 118.95 119.84 2iny s ARG 67 Ca 0.00 -0.72 -0.02 0.00 -0.52 0.00 0.00 55.73 54.48 2iny s ARG 67 Cb 0.00 -1.97 0.43 0.00 0.52 0.00 0.00 34.95 33.93 2iny s ARG 67 CO 0.00 -0.82 1.90 -0.07 0.02 0.00 0.00 175.30 176.32 2iny h LEU 68 N 8.19 0.85 -7.52 2.53 3.38 -1.94 -3.35 115.31 117.45 2iny h LEU 68 Ca -0.16 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.59 2iny h LEU 68 Cb 1.06 -0.22 -0.23 0.00 0.09 0.00 0.00 40.66 41.37 2iny h LEU 68 CO 0.41 0.72 -0.36 0.00 0.09 0.00 0.00 178.44 179.30 2iny s GLN 69 N -5.55 0.48 -0.03 1.13 -2.07 -1.26 0.48 119.66 112.84 2iny s GLN 69 Ca -0.11 0.06 0.01 0.00 -1.82 0.00 0.00 55.36 53.50 2iny s GLN 69 Cb 0.17 0.22 0.02 0.00 -1.09 0.00 0.00 33.01 32.32 2iny s GLN 69 CO 0.80 -0.10 -0.05 0.42 -1.32 0.00 0.00 175.29 175.04 2iny s ILE 70 N -0.63 0.50 -0.35 3.63 1.09 0.28 -4.95 121.20 120.77 2iny s ILE 70 Ca -0.07 -0.14 -0.16 0.00 -1.10 0.00 0.00 60.65 59.17 2iny s ILE 70 Cb -0.04 -0.50 -0.01 0.00 -1.06 0.00 0.00 42.46 40.85 2iny s ILE 70 CO 0.02 0.20 0.42 -0.60 -0.10 0.00 0.00 174.94 174.87 2iny s ARG 71 N 0.65 3.58 0.02 2.79 3.52 -1.26 -1.17 118.95 127.08 2iny s ARG 71 Ca -0.08 -0.33 -0.17 0.00 -0.13 0.00 0.00 55.73 55.01 2iny s ARG 71 Cb -0.12 -3.81 -0.06 0.00 -1.56 0.00 0.00 34.95 29.41 2iny s ARG 71 CO 0.00 -0.57 0.49 -0.06 -0.81 0.00 0.00 175.30 174.35 2iny s PHE 72 N 2.15 3.73 -0.14 5.12 0.08 0.29 -4.94 117.98 124.28 2iny s PHE 72 Ca 0.14 1.11 -0.06 0.00 0.12 0.00 0.00 56.93 58.23 2iny s PHE 72 Cb -0.16 -2.42 -0.04 0.00 -0.57 0.00 0.00 43.02 39.83 2iny s PHE 72 CO 0.12 0.55 0.09 0.71 -0.10 0.00 0.00 175.22 176.60 2iny s TYR 73 N -0.85 3.40 1.21 0.36 2.02 -1.26 -2.24 117.35 120.00 2iny s TYR 73 Ca 0.26 0.33 -0.14 0.00 -0.37 0.00 0.00 57.07 57.15 2iny s TYR 73 Cb -0.18 -1.97 0.30 0.00 -0.40 0.00 0.00 41.96 39.71 2iny s TYR 73 CO 0.15 0.49 0.94 -0.35 -1.57 0.00 0.00 175.55 175.21 2iny n PRO 74 N 2.59 -2.73 0.00 -1.71 -0.04 -1.26 -4.80 135.00 127.05 2iny n PRO 74 Ca -0.18 -0.77 0.00 0.00 -0.04 0.00 0.00 63.50 62.50 2iny n PRO 74 Cb 0.54 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 2iny n PRO 74 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2iny n ILE 75 N -5.07 0.00 -3.82 0.52 2.08 -0.72 -4.95 119.36 107.39 2iny n ILE 75 Ca 0.02 0.00 -0.30 0.00 0.56 0.00 0.00 62.75 63.03 2iny n ILE 75 Cb 0.55 -0.50 -0.15 0.00 -0.75 0.00 0.00 39.64 38.79 2iny n ILE 75 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2iny s GLN 76 N -1.77 1.11 0.00 0.38 2.00 -1.13 -5.01 119.66 115.24 2iny s GLN 76 Ca 0.00 -1.58 0.00 0.00 -2.00 0.00 0.00 55.36 51.78 2iny s GLN 76 Cb 0.00 -2.47 0.00 0.00 0.80 0.00 0.00 33.01 31.34 2iny s GLN 76 CO 0.00 -1.02 0.00 -2.37 -0.50 0.00 0.00 175.29 171.40 2iny n THR 77 N 4.32 0.00 0.00 -0.34 5.66 -1.26 -0.13 114.28 122.53 2iny n THR 77 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 2iny n THR 77 Cb 0.40 -1.97 0.00 0.00 -1.55 0.00 0.00 70.33 67.21 2iny n THR 77 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2iny n ASP 78 N -0.56 0.00 -4.89 1.09 2.03 -1.23 -4.79 116.55 108.21 2iny n ASP 78 Ca 0.00 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.02 2iny n ASP 78 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 2iny n ASP 78 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2iny s ASP 79 N 0.00 6.24 0.00 1.67 2.15 -1.26 -3.02 116.67 122.44 2iny s ASP 79 Ca 0.00 1.19 0.00 0.00 0.43 0.00 0.00 52.55 54.17 2iny s ASP 79 Cb 0.00 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 2iny s ASP 79 CO 0.00 -0.74 0.00 0.35 -0.17 0.00 0.00 175.17 174.61 2iny n THR 80 N -2.53 0.00 0.97 1.71 -2.24 -1.18 -4.99 114.28 106.02 2iny n THR 80 Ca 0.04 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 2iny n THR 80 Cb 0.55 0.00 0.31 0.00 -2.10 0.00 0.00 70.33 69.08 2iny n THR 80 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2iny n PRO 81 N 0.00 0.02 0.00 -0.78 -0.04 -1.26 -4.40 135.00 128.54 2iny n PRO 81 Ca 0.00 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2iny n PRO 81 Cb 0.00 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 2iny n PRO 81 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2iny n ASN 82 N -1.55 0.00 -4.24 3.54 0.23 -1.26 -4.91 115.26 107.07 2iny n ASN 82 Ca 0.06 -1.00 -0.25 0.00 -0.53 0.00 0.00 54.58 52.86 2iny n ASN 82 Cb 0.34 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.96 2iny n ASN 82 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2iny s SER 83 N 0.00 2.76 -0.42 0.53 1.04 -1.26 -2.07 113.70 114.28 2iny s SER 83 Ca 0.00 -1.60 0.02 0.00 0.48 0.00 0.00 55.95 54.85 2iny s SER 83 Cb 0.00 0.38 0.19 0.00 0.10 0.00 0.00 66.02 66.69 2iny s SER 83 CO 0.00 -0.85 0.81 -0.47 0.98 0.00 0.00 173.24 173.71 2iny s TYR 84 N -3.22 -1.23 0.47 5.02 5.04 -1.02 -3.07 117.35 119.34 2iny s TYR 84 Ca 0.25 -0.11 -0.17 0.00 -2.44 0.00 0.00 57.07 54.60 2iny s TYR 84 Cb 0.04 0.23 -0.09 0.00 0.35 0.00 0.00 41.96 42.50 2iny s TYR 84 CO 0.14 -0.90 0.94 0.50 -1.34 0.00 0.00 175.55 174.89 2iny s ARG 85 N 1.40 4.01 -0.25 4.97 6.06 -1.17 -1.31 118.95 132.66 2iny s ARG 85 Ca 0.22 0.93 -0.02 0.00 -2.50 0.00 0.00 55.73 54.36 2iny s ARG 85 Cb 0.01 -2.19 0.14 0.00 0.06 0.00 0.00 34.95 32.97 2iny s ARG 85 CO -0.08 -0.15 0.40 0.14 -2.50 0.00 0.00 175.30 173.10 2iny s VAL 86 N -2.44 -0.64 -0.70 7.11 -7.23 -0.51 -3.48 120.40 112.51 2iny s VAL 86 Ca 0.59 -0.09 -0.25 0.00 -1.81 0.00 0.00 61.98 60.42 2iny s VAL 86 Cb -0.10 -0.85 0.05 0.00 0.56 0.00 0.00 36.38 36.04 2iny s VAL 86 CO 0.25 -0.13 1.13 -0.13 -0.31 0.00 0.00 175.10 175.91 2iny s ARG 87 N 2.57 3.15 0.31 4.82 0.52 0.81 -3.09 118.95 128.05 2iny s ARG 87 Ca 0.13 -0.52 0.06 0.00 -0.52 0.00 0.00 55.73 54.89 2iny s ARG 87 Cb -0.15 -4.20 -0.02 0.00 0.52 0.00 0.00 34.95 31.10 2iny s ARG 87 CO -0.18 -1.99 0.41 0.71 0.02 0.00 0.00 175.30 174.27 2iny s TYR 88 N 4.94 3.18 0.00 -0.53 2.02 0.44 -1.76 117.35 125.65 2iny s TYR 88 Ca 0.29 -0.17 0.04 0.00 -0.37 0.00 0.00 57.07 56.86 2iny s TYR 88 Cb -0.12 -1.84 -0.01 0.00 -0.40 0.00 0.00 41.96 39.59 2iny s TYR 88 CO 0.13 0.15 -0.12 0.45 -1.57 0.00 0.00 175.55 174.59 2iny s SER 89 N -4.09 1.38 -0.08 2.29 0.15 -1.26 -1.45 113.70 110.64 2iny s SER 89 Ca 0.41 -0.26 -0.03 0.00 0.70 0.00 0.00 55.95 56.77 2iny s SER 89 Cb -0.09 -0.14 0.04 0.00 -1.71 0.00 0.00 66.02 64.13 2iny s SER 89 CO 0.30 0.11 0.16 -0.69 1.20 0.00 0.00 173.24 174.33 2iny s VAL 90 N -0.40 -0.12 0.09 4.45 1.01 -1.25 -4.97 120.40 119.21 2iny s VAL 90 Ca 0.04 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.26 2iny s VAL 90 Cb -0.05 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 2iny s VAL 90 CO -0.00 0.09 0.16 0.21 0.00 0.00 0.00 175.10 175.56 2iny s ASN 91 N 1.52 5.95 -0.30 3.32 2.47 -1.26 0.46 114.94 127.10 2iny s ASN 91 Ca -0.06 0.11 0.01 0.00 0.42 0.00 0.00 52.86 53.33 2iny s ASN 91 Cb -0.12 -1.72 0.06 0.00 -1.45 0.00 0.00 41.25 38.03 2iny s ASN 91 CO -0.06 0.14 -0.02 -0.69 -3.72 0.00 0.00 177.10 172.75 2iny s VAL 92 N -1.53 2.63 0.18 -5.21 1.01 -1.26 -4.71 120.40 111.50 2iny s VAL 92 Ca 0.32 -1.63 -0.32 0.00 0.00 0.00 0.00 61.98 60.36 2iny s VAL 92 Cb -0.12 -2.59 -0.16 0.00 0.00 0.00 0.00 36.38 33.51 2iny s VAL 92 CO 0.25 -0.17 1.05 0.61 0.00 0.00 0.00 175.10 176.84 2iny n GLY 93 N 4.51 -0.27 3.72 4.51 0.00 -1.26 0.88 105.19 117.28 2iny n GLY 93 Ca -0.11 0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 2iny n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2iny n ASP 94 N 1.85 3.07 -1.57 1.61 8.00 -1.26 0.24 116.55 128.49 2iny n ASP 94 Ca 0.15 1.21 -0.19 0.00 0.71 0.00 0.00 54.79 56.66 2iny n ASP 94 Cb 0.24 -1.52 -0.08 0.00 -0.02 0.00 0.00 41.12 39.74 2iny n ASP 94 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2iny n SER 95 N 0.85 -5.04 -4.53 -2.24 7.64 -1.26 -4.96 113.62 104.09 2iny n SER 95 Ca 0.04 0.47 -0.26 0.00 1.01 0.00 0.00 58.87 60.13 2iny n SER 95 Cb 0.36 -4.49 -0.10 0.00 -1.01 0.00 0.00 64.21 58.98 2iny n SER 95 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2iny s TRP 96 N -2.62 2.52 -0.17 1.43 0.52 0.66 -4.75 118.94 116.53 2iny s TRP 96 Ca 0.00 -0.27 -0.13 0.00 0.02 0.00 0.00 56.10 55.72 2iny s TRP 96 Cb 0.00 -1.22 0.05 0.00 -1.15 0.00 0.00 33.47 31.15 2iny s TRP 96 CO 0.00 0.53 0.43 0.14 0.02 0.00 0.00 176.95 178.07 2iny s VAL 97 N -1.79 -0.01 0.16 4.03 -7.23 -1.26 -3.75 120.40 110.55 2iny s VAL 97 Ca 0.24 0.03 0.08 0.00 -1.81 0.00 0.00 61.98 60.52 2iny s VAL 97 Cb -0.08 -0.61 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 2iny s VAL 97 CO 0.14 0.01 -0.16 -0.22 -0.31 0.00 0.00 175.10 174.56 2iny s LEU 98 N 0.68 2.45 -0.12 1.32 2.96 -1.04 -4.06 118.68 120.87 2iny s LEU 98 Ca -0.04 -0.87 0.00 0.00 -0.22 0.00 0.00 54.13 53.00 2iny s LEU 98 Cb -0.05 -0.73 0.02 0.00 0.50 0.00 0.00 46.19 45.94 2iny s LEU 98 CO -0.05 -0.09 -0.09 -0.62 -1.32 0.00 0.00 176.35 174.18 2iny s ASP 99 N -2.70 2.25 0.00 3.68 2.15 -1.26 -0.50 116.67 120.29 2iny s ASP 99 Ca 0.15 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.79 2iny s ASP 99 Cb -0.05 -0.91 0.00 0.00 -0.30 0.00 0.00 42.92 41.66 2iny s ASP 99 CO 0.06 -0.09 0.00 0.23 -0.17 0.00 0.00 175.17 175.20 2iny n MET 100 N 4.79 0.00 0.19 4.34 2.81 0.55 -0.36 117.12 129.44 2iny n MET 100 Ca -0.14 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 55.83 2iny n MET 100 Cb 0.50 -1.00 0.14 0.00 -0.71 0.00 0.00 33.22 32.15 2iny n MET 100 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2iny h GLY 101 N 0.00 0.00 -6.24 3.03 0.00 -1.74 -3.33 103.07 94.79 2iny h GLY 101 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.60 2iny h GLY 101 CO 0.00 0.00 0.34 0.00 0.00 0.00 0.00 176.54 176.88 2iny n ALA 102 N -2.14 5.18 -3.17 3.60 0.00 0.51 -4.89 120.51 119.59 2iny n ALA 102 Ca 0.03 -4.72 0.02 0.00 0.00 0.00 0.00 53.44 48.78 2iny n ALA 102 Cb 0.59 -1.71 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 2iny n ALA 102 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2iny s THR 103 N -3.59 -0.97 0.13 0.00 -4.23 -1.25 -3.39 115.64 102.33 2iny s THR 103 Ca 0.39 -0.03 0.07 0.00 -1.18 0.00 0.00 61.69 60.94 2iny s THR 103 Cb 0.16 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 73.19 2iny s THR 103 CO -0.04 -0.02 -0.05 -0.72 -0.54 0.00 0.00 174.62 173.25 2iny s TYR 104 N 2.58 2.82 -0.51 3.99 -0.00 -1.25 -4.51 117.35 120.46 2iny s TYR 104 Ca 0.11 -0.13 -0.21 0.00 -0.00 0.00 0.00 57.07 56.84 2iny s TYR 104 Cb -0.09 -1.43 0.05 0.00 -0.00 0.00 0.00 41.96 40.49 2iny s TYR 104 CO -0.22 0.47 0.75 -0.06 -0.00 0.00 0.00 175.55 176.50 2iny s PHE 105 N -1.41 2.95 -0.97 -3.49 0.08 0.58 -3.19 117.98 112.53 2iny s PHE 105 Ca 0.24 -0.27 -0.24 0.00 0.12 0.00 0.00 56.93 56.78 2iny s PHE 105 Cb -0.11 -3.73 -0.01 0.00 -0.57 0.00 0.00 43.02 38.61 2iny s PHE 105 CO 0.16 -1.14 1.76 0.34 -0.10 0.00 0.00 175.22 176.25 2iny s ASP 106 N 2.66 5.67 1.10 1.36 2.15 -1.15 -1.64 116.67 126.82 2iny s ASP 106 Ca 0.22 -1.04 -0.06 0.00 0.43 0.00 0.00 52.55 52.10 2iny s ASP 106 Cb -0.16 -2.57 0.10 0.00 -0.30 0.00 0.00 42.92 39.99 2iny s ASP 106 CO 0.16 -2.28 0.29 -0.38 -0.17 0.00 0.00 175.17 172.79 2iny n ILE 107 N 7.48 0.00 0.00 4.11 2.08 0.21 -3.34 119.36 129.91 2iny n ILE 107 Ca 0.38 -0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.60 2iny n ILE 107 Cb 0.48 -0.77 0.00 0.00 -0.75 0.00 0.00 39.64 38.60 2iny n ILE 107 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2iny n LYS 108 N -2.70 0.00 0.00 0.38 4.81 -1.25 -2.87 118.16 116.53 2iny n LYS 108 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2iny n LYS 108 Cb 0.17 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.22 2iny n LYS 108 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2iny n GLY 109 N 0.00 2.03 3.48 3.14 0.00 -0.96 -2.22 105.19 110.66 2iny n GLY 109 Ca 0.00 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 2iny n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iny s VAL 110 N -1.58 2.00 0.00 1.61 1.01 -0.69 0.23 120.40 122.98 2iny s VAL 110 Ca 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 61.98 59.79 2iny s VAL 110 Cb 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.87 2iny s VAL 110 CO 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 175.10 174.83 2iny n LEU 111 N -0.68 0.00 -4.77 3.92 -0.00 -1.15 -1.44 117.00 112.88 2iny n LEU 111 Ca -0.05 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.58 2iny n LEU 111 Cb 0.63 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.02 2iny n LEU 111 CO 0.41 0.00 0.82 -0.62 -0.00 0.00 0.00 177.39 178.00 2iny s ASP 112 N 0.00 6.65 0.00 1.45 2.15 -1.01 -1.58 116.67 124.33 2iny s ASP 112 Ca 0.00 2.28 0.23 0.00 0.43 0.00 0.00 52.55 55.49 2iny s ASP 112 Cb 0.00 -2.61 1.35 0.00 -0.30 0.00 0.00 42.92 41.36 2iny s ASP 112 CO 0.00 -0.58 1.87 0.54 -0.17 0.00 0.00 175.17 176.83 2iny n ARG 113 N 0.17 1.06 0.00 4.34 3.00 -1.06 -2.31 116.66 121.86 2iny n ARG 113 Ca 0.04 -0.10 0.00 0.00 -0.01 0.00 0.00 57.85 57.78 2iny n ARG 113 Cb 0.47 -1.37 0.00 0.00 0.00 0.00 0.00 32.46 31.56 2iny n ARG 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2iny n GLY 114 N 0.89 0.85 0.00 -0.13 0.00 -1.26 -4.44 105.19 101.09 2iny n GLY 114 Ca 0.17 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2iny n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2iny n PRO 115 N 0.00 4.20 -0.46 1.61 -0.04 -1.26 -4.81 135.00 134.24 2iny n PRO 115 Ca 0.00 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 2iny n PRO 115 Cb 0.00 -0.41 0.31 0.00 -0.04 0.00 0.00 33.50 33.35 2iny n PRO 115 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2iny n SER 116 N -0.72 4.17 -4.54 3.54 3.41 -1.26 -4.90 113.62 113.32 2iny n SER 116 Ca 0.00 -2.29 -0.41 0.00 -0.26 0.00 0.00 58.87 55.91 2iny n SER 116 Cb 0.00 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.43 2iny n SER 116 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2iny s PHE 117 N -1.53 2.34 -0.98 7.33 5.36 -1.26 -4.50 117.98 124.75 2iny s PHE 117 Ca 0.45 -0.19 -0.05 0.00 -0.96 0.00 0.00 56.93 56.18 2iny s PHE 117 Cb 0.27 -4.62 0.24 0.00 -0.34 0.00 0.00 43.02 38.58 2iny s PHE 117 CO 0.25 -2.03 0.91 0.21 -1.46 0.00 0.00 175.22 173.09 2iny s LYS 118 N 5.52 3.65 0.00 10.12 2.20 0.33 -4.68 119.74 136.87 2iny s LYS 118 Ca 0.36 -3.23 0.00 0.00 -0.36 0.00 0.00 55.97 52.74 2iny s LYS 118 Cb -0.07 -4.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.04 2iny s LYS 118 CO 0.11 -1.25 0.13 -0.35 -0.36 0.00 0.00 175.35 173.63 2iny n PRO 119 N 2.54 0.16 -3.83 4.03 -0.04 -1.16 -0.48 135.00 136.22 2iny n PRO 119 Ca 0.22 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.50 2iny n PRO 119 Cb 0.38 -1.03 -0.06 0.00 -0.04 0.00 0.00 33.50 32.75 2iny n PRO 119 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2iny n TYR 120 N -0.13 -0.15 -3.59 0.54 0.18 -1.26 -5.03 117.16 107.72 2iny n TYR 120 Ca 0.00 -2.10 -0.38 0.00 1.88 0.00 0.00 57.90 57.31 2iny n TYR 120 Cb 0.02 0.08 -0.10 0.00 -0.38 0.00 0.00 39.34 38.95 2iny n TYR 120 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 2iny s GLY 121 N -2.91 1.95 0.00 -7.48 0.00 -1.26 -4.39 107.32 93.23 2iny s GLY 121 Ca 0.22 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.94 2iny s GLY 121 CO 0.15 0.62 0.00 0.61 0.00 0.00 0.00 173.10 174.48 2iny n GLY 122 N 4.78 1.17 0.71 0.20 0.00 -1.26 -4.73 105.19 106.06 2iny n GLY 122 Ca -0.14 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 2iny n GLY 122 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2iny n THR 123 N 0.00 0.13 0.00 2.61 5.66 -1.26 -4.62 114.28 116.79 2iny n THR 123 Ca 0.00 -0.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 2iny n THR 123 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2iny n THR 123 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2iny n ALA 124 N -0.23 0.00 -1.00 1.79 0.00 -1.26 -4.97 120.51 114.83 2iny n ALA 124 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2iny n ALA 124 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2iny n ALA 124 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2iny n TYR 125 N 0.00 -0.87 0.00 0.00 4.01 -1.26 -4.74 117.16 114.29 2iny n TYR 125 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2iny n TYR 125 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2iny n TYR 125 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2iny n ASN 126 N 0.00 0.00 0.00 7.72 2.85 -1.26 -4.87 115.26 119.70 2iny n ASN 126 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2iny n ASN 126 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2iny n ASN 126 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2iny n PRO 127 N 0.00 1.98 0.00 1.20 -0.04 -1.26 -4.92 135.00 131.96 2iny n PRO 127 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2iny n PRO 127 Cb 0.00 -0.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 2iny n PRO 127 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2iny n LEU 128 N -1.05 0.00 0.00 1.53 4.77 -1.26 -4.88 117.00 116.10 2iny n LEU 128 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2iny n LEU 128 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2iny n LEU 128 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 2iny n ALA 129 N -3.00 0.00 -0.77 -1.18 0.00 -1.26 -4.86 120.51 109.44 2iny n ALA 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2iny n ALA 129 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2iny n ALA 129 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2iny n PRO 130 N 0.00 1.91 -2.31 0.00 -0.02 -1.26 -4.37 135.00 128.95 2iny n PRO 130 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.08 2iny n PRO 130 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.50 2iny n PRO 130 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2iny n ARG 131 N 0.00 4.51 -2.35 -0.52 1.74 -1.26 -3.51 116.66 115.27 2iny n ARG 131 Ca 0.00 -4.09 -0.08 0.00 -0.77 0.00 0.00 57.85 52.90 2iny n ARG 131 Cb 0.00 -2.42 -0.00 0.00 -1.02 0.00 0.00 32.46 29.01 2iny n ARG 131 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2iny n GLU 132 N 0.12 1.34 -4.63 5.56 0.00 -1.26 -4.90 120.64 116.88 2iny n GLU 132 Ca 0.51 -1.06 -0.29 0.00 0.00 0.00 0.00 57.16 56.32 2iny n GLU 132 Cb 0.27 0.16 -0.08 0.00 0.00 0.00 0.00 31.44 31.79 2iny n GLU 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2iny s ALA 133 N -2.24 3.50 0.89 4.31 0.00 -1.26 0.27 121.76 127.23 2iny s ALA 133 Ca 0.07 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2iny s ALA 133 Cb -0.01 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.57 2iny s ALA 133 CO 0.04 -0.20 0.00 0.44 0.00 0.00 0.00 175.76 176.04 2iny n ILE 134 N -1.09 0.00 -3.70 0.00 -0.00 -1.26 -4.50 119.36 108.81 2iny n ILE 134 Ca -0.12 0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.33 2iny n ILE 134 Cb 0.66 -0.87 -0.13 0.00 -0.00 0.00 0.00 39.64 39.30 2iny n ILE 134 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 2iny s PHE 135 N 0.27 1.93 0.00 4.28 0.08 -1.26 -4.88 117.98 118.40 2iny s PHE 135 Ca 0.00 -2.39 0.00 0.00 0.12 0.00 0.00 56.93 54.66 2iny s PHE 135 Cb 0.00 -1.84 0.00 0.00 -0.57 0.00 0.00 43.02 40.61 2iny s PHE 135 CO 0.00 -0.78 0.00 0.27 -0.10 0.00 0.00 175.22 174.61 2iny n ASN 136 N 3.55 0.00 -4.03 1.36 2.04 -1.20 -2.53 115.26 114.46 2iny n ASN 136 Ca 0.09 0.00 -0.31 0.00 -0.44 0.00 0.00 54.58 53.92 2iny n ASN 136 Cb 0.35 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 37.45 2iny n ASN 136 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 2iny s THR 137 N 2.71 2.13 -0.22 5.53 2.01 -1.25 -4.00 115.64 122.55 2iny s THR 137 Ca 0.00 -1.88 -0.29 0.00 0.31 0.00 0.00 61.69 59.83 2iny s THR 137 Cb 0.00 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 2iny s THR 137 CO 0.00 -0.28 1.84 0.86 -0.69 0.00 0.00 174.62 176.36 2iny s TRP 138 N 1.06 1.71 -0.49 4.92 -0.11 0.53 -4.80 118.94 121.76 2iny s TRP 138 Ca -0.00 0.44 0.07 0.00 1.22 0.00 0.00 56.10 57.83 2iny s TRP 138 Cb -0.19 -4.04 0.24 0.00 -1.50 0.00 0.00 33.47 27.97 2iny s TRP 138 CO -0.07 -3.52 0.58 0.28 -4.62 0.00 0.00 176.95 169.60 2iny n VAL 139 N 6.89 0.35 -3.43 5.86 0.31 -1.26 0.41 118.33 127.45 2iny n VAL 139 Ca 0.22 -4.39 -0.44 0.00 -0.01 0.00 0.00 64.34 59.73 2iny n VAL 139 Cb 0.45 -1.99 -0.07 0.00 -0.91 0.00 0.00 33.84 31.32 2iny n VAL 139 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2iny s GLU 140 N -1.52 2.80 -0.29 5.55 2.56 -1.26 -4.96 118.70 121.59 2iny s GLU 140 Ca 0.36 -1.62 -0.17 0.00 0.00 0.00 0.00 54.97 53.54 2iny s GLU 140 Cb 0.14 -4.10 0.12 0.00 2.00 0.00 0.00 34.13 32.30 2iny s GLU 140 CO -0.09 -1.18 0.88 -1.54 -0.56 0.00 0.00 175.26 172.78 2iny s SER 141 N 2.96 -0.64 0.01 -1.70 1.04 -1.26 -4.94 113.70 109.17 2iny s SER 141 Ca 0.04 1.05 -0.05 0.00 0.48 0.00 0.00 55.95 57.48 2iny s SER 141 Cb -0.27 1.24 -0.02 0.00 0.10 0.00 0.00 66.02 67.07 2iny s SER 141 CO 0.03 -0.17 1.07 0.71 0.98 0.00 0.00 173.24 175.86 2iny h THR 142 N 4.84 0.00 0.00 2.02 1.35 -1.95 -3.50 112.91 115.67 2iny h THR 142 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2iny h THR 142 Cb 1.20 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 2iny h THR 142 CO 0.17 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 2iny n GLY 143 N -1.07 2.34 3.18 5.82 0.00 -1.26 -5.08 105.19 109.10 2iny n GLY 143 Ca -0.02 -2.13 -0.26 0.00 0.00 0.00 0.00 46.02 43.62 2iny n GLY 143 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2iny n PRO 144 N -0.51 -3.12 -4.43 1.61 -0.02 -1.26 -5.06 135.00 122.20 2iny n PRO 144 Ca 0.00 -0.92 -0.22 0.00 -2.02 0.00 0.00 63.50 60.34 2iny n PRO 144 Cb 0.00 -1.74 -0.09 0.00 -0.02 0.00 0.00 33.50 31.65 2iny n PRO 144 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2iny s GLN 145 N -4.12 1.74 -0.63 -0.52 -1.52 -1.26 -5.10 119.66 108.26 2iny s GLN 145 Ca 0.54 -2.02 0.06 0.00 -1.95 0.00 0.00 55.36 51.99 2iny s GLN 145 Cb -0.11 -0.48 0.26 0.00 -0.22 0.00 0.00 33.01 32.45 2iny s GLN 145 CO 0.50 -0.40 0.77 0.25 -0.25 0.00 0.00 175.29 176.16 2iny n THR 146 N -0.74 2.38 -4.35 -0.19 -2.24 -1.26 -5.06 114.28 102.83 2iny n THR 146 Ca -0.03 -5.24 -0.18 0.00 -2.27 0.00 0.00 64.05 56.33 2iny n THR 146 Cb 0.65 -2.02 -0.10 0.00 -2.10 0.00 0.00 70.33 66.76 2iny n THR 146 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2iny s ASN 147 N -2.57 1.53 -0.46 3.42 4.22 -1.26 -5.08 114.94 114.74 2iny s ASN 147 Ca 0.41 -1.45 -0.27 0.00 -2.14 0.00 0.00 52.86 49.42 2iny s ASN 147 Cb 0.16 0.21 -0.05 0.00 1.28 0.00 0.00 41.25 42.86 2iny s ASN 147 CO -0.03 -0.77 2.22 -0.69 -2.04 0.00 0.00 177.10 175.80 2iny s VAL 148 N -3.63 3.11 0.00 3.54 1.01 -1.26 -4.67 120.40 118.50 2iny s VAL 148 Ca 0.36 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.42 2iny s VAL 148 Cb 0.07 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2iny s VAL 148 CO 0.15 -0.23 0.00 1.33 0.00 0.00 0.00 175.10 176.35 2iny n VAL 149 N 7.76 0.00 -1.96 2.92 0.24 -1.26 -4.99 118.33 121.04 2iny n VAL 149 Ca 0.31 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.37 2iny n VAL 149 Cb 0.52 -0.01 -0.07 0.00 -1.47 0.00 0.00 33.84 32.81 2iny n VAL 149 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2iny s GLY 150 N -1.29 -0.10 0.00 7.63 0.00 -1.26 -4.14 107.32 108.16 2iny s GLY 150 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 42.96 2iny s GLY 150 CO 0.00 3.70 0.00 -1.06 0.00 0.00 0.00 173.10 175.74 2iny n GLN 151 N 8.48 1.77 -0.06 2.90 3.00 -1.25 -5.07 117.38 127.16 2iny n GLN 151 Ca 0.43 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.40 2iny n GLN 151 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.70 2iny n GLN 151 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.06 179.04 2iny h MET 152 N 0.00 0.00 0.00 -1.09 4.05 -1.90 -3.45 114.93 112.54 2iny h MET 152 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2iny h MET 152 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2iny h MET 152 CO 0.00 0.01 0.00 0.25 0.23 0.00 0.00 176.91 177.40 2iny n THR 153 N -4.70 0.00 0.00 -0.77 -2.24 -1.26 -4.94 114.28 100.37 2iny n THR 153 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2iny n THR 153 Cb 0.13 1.93 0.00 0.00 -2.10 0.00 0.00 70.33 70.29 2iny n THR 153 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2iny n ASN 154 N 0.00 0.00 -4.02 3.42 4.13 -1.26 -4.86 115.26 112.67 2iny n ASN 154 Ca 0.00 0.81 -0.18 0.00 1.68 0.00 0.00 54.58 56.89 2iny n ASN 154 Cb 0.26 -0.37 -0.15 0.00 -1.54 0.00 0.00 39.78 37.98 2iny n ASN 154 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2iny s VAL 155 N -2.29 0.68 0.04 2.41 -7.23 -1.26 -5.09 120.40 107.66 2iny s VAL 155 Ca 0.00 -0.37 -0.28 0.00 -1.81 0.00 0.00 61.98 59.52 2iny s VAL 155 Cb 0.00 -0.57 -0.05 0.00 0.56 0.00 0.00 36.38 36.32 2iny s VAL 155 CO 0.00 0.19 0.90 -0.72 -0.31 0.00 0.00 175.10 175.16 2iny s TYR 156 N -0.20 3.72 -0.12 2.82 1.13 -1.26 -3.79 117.35 119.65 2iny s TYR 156 Ca 0.03 1.64 -0.05 0.00 -1.41 0.00 0.00 57.07 57.29 2iny s TYR 156 Cb -0.03 -3.00 -0.04 0.00 -1.10 0.00 0.00 41.96 37.79 2iny s TYR 156 CO -0.00 0.14 0.05 -0.08 -2.51 0.00 0.00 175.55 173.14 2iny s THR 157 N 0.41 4.74 0.00 -3.49 -1.32 -1.26 -4.94 115.64 109.78 2iny s THR 157 Ca 0.46 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.86 2iny s THR 157 Cb -0.21 -3.05 0.00 0.00 -1.51 0.00 0.00 72.50 67.73 2iny s THR 157 CO 0.27 0.57 0.00 0.59 -2.21 0.00 0.00 174.62 173.84 2iny n ASN 158 N 2.48 0.00 -3.97 8.08 4.13 -1.26 -4.99 115.26 119.73 2iny n ASN 158 Ca -0.18 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 55.81 2iny n ASN 158 Cb 0.54 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.61 2iny n ASN 158 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2iny s GLN 159 N 0.00 1.68 -0.62 3.52 2.00 -1.26 -5.03 119.66 119.94 2iny s GLN 159 Ca 0.00 -0.35 0.02 0.00 -2.00 0.00 0.00 55.36 53.02 2iny s GLN 159 Cb 0.00 -1.56 0.39 0.00 0.80 0.00 0.00 33.01 32.65 2iny s GLN 159 CO 0.00 -0.13 1.57 0.25 -0.50 0.00 0.00 175.29 176.48 2iny n THR 160 N 4.42 2.99 -4.00 -0.34 -2.24 -1.26 -4.98 114.28 108.87 2iny n THR 160 Ca -0.18 -4.50 -0.13 0.00 -2.27 0.00 0.00 64.05 56.97 2iny n THR 160 Cb 0.51 -1.24 -0.14 0.00 -2.10 0.00 0.00 70.33 67.36 2iny n THR 160 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2iny s ARG 161 N -3.80 0.22 -0.40 -0.78 6.06 -1.26 -4.75 118.95 114.25 2iny s ARG 161 Ca 0.51 -0.18 0.06 0.00 -2.50 0.00 0.00 55.73 53.61 2iny s ARG 161 Cb 0.42 -0.16 0.31 0.00 0.06 0.00 0.00 34.95 35.58 2iny s ARG 161 CO -0.27 0.04 1.23 0.27 -2.50 0.00 0.00 175.30 174.07 2iny n ASN 162 N 2.77 -1.88 -4.49 -2.12 6.94 -1.26 -5.08 115.26 110.14 2iny n ASN 162 Ca -0.14 -2.80 -0.37 0.00 -0.02 0.00 0.00 54.58 51.25 2iny n ASN 162 Cb 0.58 1.46 0.06 0.00 -2.36 0.00 0.00 39.78 39.52 2iny n ASN 162 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2iny n ASP 163 N 0.06 -0.81 -3.40 0.53 5.68 -1.26 -4.89 116.55 112.46 2iny n ASP 163 Ca -0.02 0.66 -0.03 0.00 -0.50 0.00 0.00 54.79 54.89 2iny n ASP 163 Cb 0.74 -1.24 -0.05 0.00 -1.14 0.00 0.00 41.12 39.43 2iny n ASP 163 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2iny s LYS 164 N -2.62 0.46 -0.01 0.11 2.47 -1.26 -5.03 119.74 113.85 2iny s LYS 164 Ca 0.68 0.96 0.18 0.00 -1.56 0.00 0.00 55.97 56.23 2iny s LYS 164 Cb -0.38 0.27 0.30 0.00 -1.46 0.00 0.00 37.83 36.56 2iny s LYS 164 CO 0.55 -0.48 1.12 -2.37 0.16 0.00 0.00 175.35 174.34 2iny n THR 165 N 5.41 0.13 -0.38 3.43 5.66 -1.25 -4.61 114.28 122.66 2iny n THR 165 Ca -0.05 -0.83 -0.30 0.00 -3.05 0.00 0.00 64.05 59.82 2iny n THR 165 Cb 0.50 0.78 0.28 0.00 -1.55 0.00 0.00 70.33 70.34 2iny n THR 165 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2iny n ALA 166 N 0.25 -4.85 -3.28 1.79 0.00 0.17 -4.67 120.51 109.91 2iny n ALA 166 Ca 0.05 -1.54 -0.06 0.00 0.00 0.00 0.00 53.44 51.90 2iny n ALA 166 Cb 0.99 -0.13 -0.06 0.00 0.00 0.00 0.00 19.45 20.25 2iny n ALA 166 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2iny s THR 167 N -2.26 -0.72 0.35 0.00 -4.23 -1.26 0.20 115.64 107.72 2iny s THR 167 Ca 0.67 -0.11 -0.27 0.00 -1.18 0.00 0.00 61.69 60.80 2iny s THR 167 Cb -0.11 -0.91 -0.09 0.00 1.34 0.00 0.00 72.50 72.73 2iny s THR 167 CO 0.55 -0.13 1.14 -1.48 -0.54 0.00 0.00 174.62 174.16 2iny s LEU 168 N 2.63 4.35 0.00 4.79 0.05 -1.26 -4.67 118.68 124.58 2iny s LEU 168 Ca 0.13 2.32 0.00 0.00 0.05 0.00 0.00 54.13 56.63 2iny s LEU 168 Cb -0.14 -3.85 0.00 0.00 -2.05 0.00 0.00 46.19 40.15 2iny s LEU 168 CO -0.21 -0.43 0.00 0.00 -0.55 0.00 0.00 176.35 175.16 2iny n GLN 169 N 0.57 0.00 -3.47 1.48 10.64 -1.26 -3.23 117.38 122.11 2iny n GLN 169 Ca 0.02 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.19 2iny n GLN 169 Cb 0.46 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.79 2iny n GLN 169 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2iny s GLN 170 N 1.77 0.31 1.19 2.61 2.00 -1.26 -5.02 119.66 121.26 2iny s GLN 170 Ca 0.00 0.71 -0.13 0.00 -2.00 0.00 0.00 55.36 53.94 2iny s GLN 170 Cb 0.00 0.35 0.30 0.00 0.80 0.00 0.00 33.01 34.46 2iny s GLN 170 CO 0.00 -0.09 1.02 0.14 -0.50 0.00 0.00 175.29 175.85 2iny s VAL 171 N 2.17 2.00 0.00 1.34 -7.23 -1.26 -4.63 120.40 112.78 2iny s VAL 171 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.13 2iny s VAL 171 Cb -0.05 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.85 2iny s VAL 171 CO -0.17 -0.00 0.00 0.59 -0.31 0.00 0.00 175.10 175.21 2iny n ASN 172 N -5.03 0.00 -4.21 4.85 3.02 -1.26 -4.79 115.26 107.85 2iny n ASN 172 Ca 0.02 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.23 2iny n ASN 172 Cb 0.54 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.84 2iny n ASN 172 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2iny n SER 173 N 0.00 -2.64 -4.22 6.41 2.88 -1.23 -4.48 113.62 110.34 2iny n SER 173 Ca 0.00 -0.05 -0.28 0.00 -1.33 0.00 0.00 58.87 57.21 2iny n SER 173 Cb 0.00 -0.85 -0.16 0.00 -0.75 0.00 0.00 64.21 62.45 2iny n SER 173 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2iny s ILE 174 N -2.18 1.70 0.20 2.46 -1.09 -1.26 -3.32 121.20 117.72 2iny s ILE 174 Ca 0.50 -0.90 0.05 0.00 -2.23 0.00 0.00 60.65 58.07 2iny s ILE 174 Cb -0.07 -1.43 -0.02 0.00 -1.58 0.00 0.00 42.46 39.37 2iny s ILE 174 CO 0.67 0.48 0.17 -1.54 -1.23 0.00 0.00 174.94 173.49 2iny n SER 175 N 2.77 -0.37 0.00 3.58 3.41 -1.26 -4.65 113.62 117.10 2iny n SER 175 Ca -0.16 -2.33 0.00 0.00 -0.26 0.00 0.00 58.87 56.11 2iny n SER 175 Cb 0.53 1.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.48 2iny n SER 175 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2iny n GLY 176 N -0.35 0.19 3.80 5.00 0.00 -1.24 -4.90 105.19 107.68 2iny n GLY 176 Ca 0.04 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2iny n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iny s VAL 177 N 0.00 3.72 -0.57 1.61 0.11 -1.26 -5.00 120.40 119.01 2iny s VAL 177 Ca 0.00 0.72 0.06 0.00 -2.93 0.00 0.00 61.98 59.84 2iny s VAL 177 Cb 0.00 -3.29 0.27 0.00 -1.53 0.00 0.00 36.38 31.83 2iny s VAL 177 CO 0.00 -0.57 0.75 0.52 -3.33 0.00 0.00 175.10 172.47 2iny n VAL 178 N -2.50 1.87 0.00 2.04 0.31 -1.26 -4.26 118.33 114.52 2iny n VAL 178 Ca 0.09 -5.06 0.00 0.00 -0.01 0.00 0.00 64.34 59.36 2iny n VAL 178 Cb 0.53 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 2iny n VAL 178 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2iny n PRO 179 N 0.72 2.94 -0.03 5.55 -0.02 -1.25 -3.99 135.00 138.91 2iny n PRO 179 Ca 0.28 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.82 2iny n PRO 179 Cb 0.44 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.75 2iny n PRO 179 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2iny n ASN 180 N 0.00 0.02 -2.67 2.55 6.94 -1.26 -4.44 115.26 116.40 2iny n ASN 180 Ca 0.00 0.01 -0.27 0.00 -0.02 0.00 0.00 54.58 54.30 2iny n ASN 180 Cb 0.00 1.68 -0.08 0.00 -2.36 0.00 0.00 39.78 39.02 2iny n ASN 180 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 2iny n VAL 181 N -2.41 3.77 0.00 3.53 0.31 -1.26 -4.93 118.33 117.34 2iny n VAL 181 Ca -0.12 -2.59 0.00 0.00 -0.01 0.00 0.00 64.34 61.62 2iny n VAL 181 Cb 0.73 -2.06 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 2iny n VAL 181 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2iny n ASN 182 N 2.22 0.00 -3.63 4.52 5.15 -1.26 -4.78 115.26 117.47 2iny n ASN 182 Ca 0.56 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.51 2iny n ASN 182 Cb 0.56 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.77 2iny n ASN 182 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 2iny s LEU 183 N 0.00 -0.08 -0.24 1.20 2.34 -1.26 -3.78 118.68 116.85 2iny s LEU 183 Ca 0.00 0.07 0.03 0.00 0.06 0.00 0.00 54.13 54.29 2iny s LEU 183 Cb 0.00 1.19 0.05 0.00 -0.56 0.00 0.00 46.19 46.87 2iny s LEU 183 CO 0.00 -0.08 -0.13 -0.83 -1.06 0.00 0.00 176.35 174.25 2iny s GLY 184 N -1.21 1.60 0.00 -3.48 0.00 -1.26 -1.55 107.32 101.42 2iny s GLY 184 Ca 0.08 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.15 2iny s GLY 184 CO -0.06 0.54 0.63 -1.55 0.00 0.00 0.00 173.10 172.67 2iny n PRO 185 N 4.47 0.83 -0.79 2.90 -0.04 -1.25 -3.63 135.00 137.49 2iny n PRO 185 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2iny n PRO 185 Cb 0.44 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 2iny n PRO 185 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2iny n GLY 186 N 0.21 2.20 3.31 0.55 0.00 -1.26 -4.85 105.19 105.36 2iny n GLY 186 Ca 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 45.09 2iny n GLY 186 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2iny s LEU 187 N 0.00 -0.81 0.00 0.99 2.96 -1.26 -4.13 118.68 116.43 2iny s LEU 187 Ca 0.00 0.78 0.00 0.00 -0.22 0.00 0.00 54.13 54.69 2iny s LEU 187 Cb 0.00 1.79 0.00 0.00 0.50 0.00 0.00 46.19 48.48 2iny s LEU 187 CO 0.00 -0.15 0.00 -1.54 -1.32 0.00 0.00 176.35 173.34 2iny n SER 188 N 5.28 0.00 0.00 3.68 3.41 -1.26 -4.92 113.62 119.81 2iny n SER 188 Ca -0.07 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.66 2iny n SER 188 Cb 0.52 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.81 2iny n SER 188 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2iny n GLN 189 N 0.00 0.01 -1.60 4.33 1.13 -1.26 -4.96 117.38 115.03 2iny n GLN 189 Ca 0.00 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2iny n GLN 189 Cb 0.00 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.85 2iny n GLN 189 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 2iny n LEU 190 N -1.52 0.00 -4.57 1.08 -0.00 -1.26 -5.09 117.00 105.64 2iny n LEU 190 Ca 0.06 -0.18 -0.39 0.00 -0.00 0.00 0.00 56.01 55.50 2iny n LEU 190 Cb 0.34 0.32 -0.03 0.00 -0.00 0.00 0.00 43.42 44.05 2iny n LEU 190 CO 0.33 -0.06 1.76 0.00 -0.00 0.00 0.00 177.39 179.42 2iny s ALA 191 N -1.11 2.20 -0.96 1.47 0.00 -1.26 -4.65 121.76 117.44 2iny s ALA 191 Ca 0.02 -0.08 -0.24 0.00 0.00 0.00 0.00 51.96 51.66 2iny s ALA 191 Cb -0.00 -4.23 -0.01 0.00 0.00 0.00 0.00 23.12 18.87 2iny s ALA 191 CO 0.01 -3.70 1.75 -1.12 0.00 0.00 0.00 175.76 172.70 2iny s SER 192 N 9.06 5.69 0.06 0.00 0.01 -1.26 -4.94 113.70 122.32 2iny s SER 192 Ca 0.84 -1.04 -0.31 0.00 1.31 0.00 0.00 55.95 56.75 2iny s SER 192 Cb -0.18 -2.56 -0.10 0.00 0.21 0.00 0.00 66.02 63.38 2iny s SER 192 CO 0.27 -2.26 1.91 0.54 0.41 0.00 0.00 173.24 174.11 2iny n ARG 193 N 8.84 2.76 -1.14 12.44 5.12 -1.26 -3.84 116.66 139.58 2iny n ARG 193 Ca 0.38 1.01 -0.36 0.00 -1.93 0.00 0.00 57.85 56.95 2iny n ARG 193 Cb 0.48 -2.93 0.07 0.00 -1.16 0.00 0.00 32.46 28.93 2iny n ARG 193 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2iny n ALA 194 N 6.70 -2.42 -0.53 7.54 0.00 -0.60 -4.94 120.51 126.26 2iny n ALA 194 Ca 0.20 -0.35 -0.28 0.00 0.00 0.00 0.00 53.44 53.00 2iny n ALA 194 Cb 0.38 -1.70 0.26 0.00 0.00 0.00 0.00 19.45 18.39 2iny n ALA 194 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2iny s ASP 195 N -1.46 0.65 -0.05 0.00 1.01 -0.82 -4.81 116.67 111.19 2iny s ASP 195 Ca 0.60 1.42 -0.23 0.00 0.71 0.00 0.00 52.55 55.04 2iny s ASP 195 Cb -0.32 -2.19 -0.26 0.00 1.01 0.00 0.00 42.92 41.16 2iny s ASP 195 CO 0.64 -4.39 0.98 0.58 0.21 0.00 0.00 175.17 173.19 2iny h VAL 196 N -2.75 1.54 0.00 -1.27 2.07 -2.00 -3.18 116.25 110.65 2iny h VAL 196 Ca -0.61 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 64.71 2iny h VAL 196 Cb 1.34 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 34.03 2iny h VAL 196 CO 0.49 0.61 0.00 -0.90 0.02 0.00 0.00 177.57 177.79 2iny n ASP 197 N -4.34 0.02 -3.49 0.57 5.75 -1.26 -4.52 116.55 109.28 2iny n ASP 197 Ca -0.11 0.51 0.00 0.00 -0.01 0.00 0.00 54.79 55.18 2iny n ASP 197 Cb 0.63 -0.51 -0.04 0.00 -1.03 0.00 0.00 41.12 40.17 2iny n ASP 197 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2iny s ASN 198 N -3.04 -0.74 -0.46 -1.12 2.20 -1.21 -4.74 114.94 105.84 2iny s ASN 198 Ca 0.04 1.03 0.04 0.00 -0.94 0.00 0.00 52.86 53.02 2iny s ASN 198 Cb 0.05 1.80 0.12 0.00 -2.00 0.00 0.00 41.25 41.23 2iny s ASN 198 CO 0.15 -0.14 0.20 0.27 -2.94 0.00 0.00 177.10 174.63 2iny s ILE 199 N 2.49 2.27 0.00 0.54 -5.25 -1.22 -1.95 121.20 118.08 2iny s ILE 199 Ca -0.04 -2.90 0.00 0.00 -0.99 0.00 0.00 60.65 56.72 2iny s ILE 199 Cb -0.08 -2.60 0.00 0.00 2.95 0.00 0.00 42.46 42.73 2iny s ILE 199 CO -0.18 -0.76 0.00 0.61 -1.79 0.00 0.00 174.94 172.82 2iny n GLY 200 N 3.51 1.21 3.29 6.27 0.00 -1.26 -4.70 105.19 113.52 2iny n GLY 200 Ca 0.05 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 2iny n GLY 200 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2iny n VAL 201 N 0.00 0.48 -4.91 1.61 0.31 -1.25 -4.42 118.33 110.15 2iny n VAL 201 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2iny n VAL 201 Cb 0.00 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 2iny n VAL 201 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2iny n VAL 202 N -1.38 0.00 -3.81 2.52 0.31 -1.21 -4.14 118.33 110.63 2iny n VAL 202 Ca 0.09 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2iny n VAL 202 Cb 0.45 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.39 2iny n VAL 202 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2iny n GLY 203 N 0.00 0.67 3.75 2.92 0.00 -1.26 -3.58 105.19 107.70 2iny n GLY 203 Ca 0.00 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 2iny n GLY 203 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2iny s ARG 204 N -2.02 2.81 0.03 1.61 0.52 -1.26 -2.71 118.95 117.92 2iny s ARG 204 Ca 0.15 1.71 -0.00 0.00 -0.52 0.00 0.00 55.73 57.07 2iny s ARG 204 Cb -0.01 -1.92 -0.02 0.00 0.52 0.00 0.00 34.95 33.51 2iny s ARG 204 CO 0.02 -1.31 -0.03 -0.06 0.02 0.00 0.00 175.30 173.94 2iny s PHE 205 N -1.84 0.34 0.19 -0.53 0.08 0.11 -4.77 117.98 111.57 2iny s PHE 205 Ca 0.74 -0.64 -0.31 0.00 0.12 0.00 0.00 56.93 56.85 2iny s PHE 205 Cb -0.27 -0.24 -0.09 0.00 -0.57 0.00 0.00 43.02 41.84 2iny s PHE 205 CO 0.36 -0.22 1.44 0.00 -0.10 0.00 0.00 175.22 176.71 2iny s ALA 206 N -1.96 3.65 0.64 5.36 0.00 -1.05 -0.74 121.76 127.66 2iny s ALA 206 Ca -0.11 1.27 -0.02 0.00 0.00 0.00 0.00 51.96 53.10 2iny s ALA 206 Cb -0.06 -3.56 0.08 0.00 0.00 0.00 0.00 23.12 19.58 2iny s ALA 206 CO -0.03 -0.70 0.52 1.17 0.00 0.00 0.00 175.76 176.73 2iny n LYS 207 N 3.13 0.09 0.09 0.00 4.81 -0.90 -3.75 118.16 121.63 2iny n LYS 207 Ca 0.09 -1.27 -0.18 0.00 -0.87 0.00 0.00 58.31 56.09 2iny n LYS 207 Cb 0.41 -0.39 -0.10 0.00 0.02 0.00 0.00 35.03 34.96 2iny n LYS 207 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2iny h VAL 208 N -0.66 1.37 -0.04 3.15 2.07 -1.95 -3.26 116.25 116.93 2iny h VAL 208 Ca -0.17 -2.61 0.01 0.00 0.82 0.00 0.00 66.70 64.76 2iny h VAL 208 Cb 0.59 2.67 -0.00 0.00 -1.52 0.00 0.00 31.29 33.03 2iny h VAL 208 CO 0.17 0.78 0.47 0.44 0.02 0.00 0.00 177.57 179.45 2iny h ASP 209 N 0.21 0.00 -2.09 0.57 3.32 -1.96 -3.41 116.42 113.06 2iny h ASP 209 Ca -0.14 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.33 2iny h ASP 209 Cb 1.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.38 2iny h ASP 209 CO 0.21 0.00 1.43 -0.44 -1.72 0.00 0.00 179.24 178.72 2iny s SER 210 N -4.21 5.69 -0.82 6.45 0.01 -1.23 -4.80 113.70 114.80 2iny s SER 210 Ca -0.03 2.08 -0.23 0.00 1.31 0.00 0.00 55.95 59.07 2iny s SER 210 Cb 0.08 -2.52 -0.19 0.00 0.21 0.00 0.00 66.02 63.60 2iny s SER 210 CO 0.24 -1.74 2.44 0.00 0.41 0.00 0.00 173.24 174.59 2iny n ALA 211 N 10.69 0.63 -1.33 1.44 0.00 -1.26 -4.37 120.51 126.29 2iny n ALA 211 Ca 0.27 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2iny n ALA 211 Cb 0.44 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.12 2iny n ALA 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iny n GLY 212 N 6.21 -4.35 3.88 0.00 0.00 -1.26 -4.95 105.19 104.71 2iny n GLY 212 Ca 0.55 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 2iny n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iny s VAL 213 N -3.28 5.33 0.37 1.61 1.01 -1.21 -5.00 120.40 119.24 2iny s VAL 213 Ca 0.00 0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.29 2iny s VAL 213 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 2iny s VAL 213 CO 0.00 0.47 0.07 -0.54 0.00 0.00 0.00 175.10 175.10 2iny s LYS 214 N -1.44 1.81 0.75 2.72 -0.14 -1.26 -2.64 119.74 119.54 2iny s LYS 214 Ca 0.23 -2.05 -0.13 0.00 -1.36 0.00 0.00 55.97 52.66 2iny s LYS 214 Cb -0.13 -0.94 0.18 0.00 -1.68 0.00 0.00 37.83 35.26 2iny s LYS 214 CO 0.12 -0.27 0.94 1.04 -0.76 0.00 0.00 175.35 176.42 2iny n GLN 215 N -0.83 -1.28 -0.03 1.68 6.02 -1.26 -4.54 117.38 117.12 2iny n GLN 215 Ca -0.05 -1.46 -0.09 0.00 -0.01 0.00 0.00 57.00 55.39 2iny n GLN 215 Cb 0.66 -1.04 -0.08 0.00 1.02 0.00 0.00 30.24 30.80 2iny n GLN 215 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2iny h ALA 216 N -1.99 -0.05 0.00 -1.58 0.00 0.37 -3.31 119.26 112.69 2iny h ALA 216 Ca -0.31 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2iny h ALA 216 Cb 0.88 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2iny h ALA 216 CO 0.22 -0.07 0.00 0.98 0.00 0.00 0.00 179.25 180.37 2iny n TYR 217 N -4.74 0.00 -2.87 0.00 9.36 -1.21 -2.78 117.16 114.92 2iny n TYR 217 Ca -0.06 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.15 2iny n TYR 217 Cb 0.28 -0.08 0.01 0.00 -0.63 0.00 0.00 39.34 38.92 2iny n TYR 217 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 2iny s GLY 218 N 0.66 -1.50 -0.30 2.98 0.00 -1.25 -4.67 107.32 103.25 2iny s GLY 218 Ca 0.00 0.62 -0.05 0.00 0.00 0.00 0.00 44.72 45.28 2iny s GLY 218 CO 0.00 4.04 0.81 0.00 0.00 0.00 0.00 173.10 177.95 2iny s ALA 219 N 1.60 -2.91 0.03 3.20 0.00 -1.12 -4.42 121.76 118.14 2iny s ALA 219 Ca 0.19 1.53 0.07 0.00 0.00 0.00 0.00 51.96 53.75 2iny s ALA 219 Cb 0.03 -2.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 2iny s ALA 219 CO -0.11 -1.54 -0.21 -0.47 0.00 0.00 0.00 175.76 173.44 2iny s TYR 220 N 2.90 1.84 -0.27 0.00 5.04 -1.26 -4.95 117.35 120.64 2iny s TYR 220 Ca 0.12 -0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.38 2iny s TYR 220 Cb -0.11 -1.12 0.15 0.00 0.35 0.00 0.00 41.96 41.23 2iny s TYR 220 CO -0.18 0.06 0.39 0.54 -1.34 0.00 0.00 175.55 175.02 2iny s VAL 221 N -0.73 -0.61 0.19 3.14 0.11 -1.26 -3.18 120.40 118.06 2iny s VAL 221 Ca 0.08 -0.23 -0.33 0.00 -2.93 0.00 0.00 61.98 58.57 2iny s VAL 221 Cb -0.09 -0.93 -0.14 0.00 -1.53 0.00 0.00 36.38 33.70 2iny s VAL 221 CO 0.01 -0.24 1.54 1.17 -3.33 0.00 0.00 175.10 174.25 2iny n LYS 222 N 5.35 2.17 -0.59 1.54 0.00 -1.26 -4.86 118.16 120.51 2iny n LYS 222 Ca -0.01 0.78 -0.30 0.00 0.00 0.00 0.00 58.31 58.78 2iny n LYS 222 Cb 0.49 -2.52 0.21 0.00 0.00 0.00 0.00 35.03 33.21 2iny n LYS 222 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2iny n PRO 223 N 2.98 -1.34 -2.76 1.64 -0.04 -1.26 -4.86 135.00 129.36 2iny n PRO 223 Ca 0.15 -0.34 -0.02 0.00 -0.04 0.00 0.00 63.50 63.25 2iny n PRO 223 Cb 0.30 -2.25 0.08 0.00 -0.04 0.00 0.00 33.50 31.59 2iny n PRO 223 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2iny n VAL 224 N -4.55 0.77 0.00 0.52 0.31 -0.97 -4.97 118.33 109.43 2iny n VAL 224 Ca 0.08 -2.25 0.00 0.00 -0.01 0.00 0.00 64.34 62.15 2iny n VAL 224 Cb 0.53 1.12 0.00 0.00 -0.91 0.00 0.00 33.84 34.58 2iny n VAL 224 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2iny n LYS 225 N -0.83 0.00 -0.83 5.55 4.81 -1.25 -4.70 118.16 120.91 2iny n LYS 225 Ca -0.01 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.99 2iny n LYS 225 Cb 0.83 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.79 2iny n LYS 225 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2iny n ASP 226 N 0.00 1.80 0.00 3.14 5.68 -1.26 -1.41 116.55 124.50 2iny n ASP 226 Ca 0.00 -2.58 0.00 0.00 -0.50 0.00 0.00 54.79 51.71 2iny n ASP 226 Cb 0.00 -0.82 0.00 0.00 -1.14 0.00 0.00 41.12 39.16 2iny n ASP 226 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2iny n ASP 227 N 8.14 0.00 -2.33 -1.12 5.68 -1.26 -5.10 116.55 120.56 2iny n ASP 227 Ca 0.48 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.76 2iny n ASP 227 Cb 0.41 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.38 2iny n ASP 227 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2iny n GLY 228 N 0.00 -3.22 3.65 6.12 0.00 -0.50 -5.02 105.19 106.22 2iny n GLY 228 Ca 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 46.02 46.24 2iny n GLY 228 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2iny s SER 229 N -0.35 -0.12 0.00 1.61 0.15 -1.26 -4.76 113.70 108.97 2iny s SER 229 Ca -0.04 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.85 2iny s SER 229 Cb 0.00 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2iny s SER 229 CO 0.09 -0.04 0.00 0.00 1.20 0.00 0.00 173.24 174.49 2iny n GLN 230 N 1.72 3.89 -3.17 5.44 3.00 -1.26 -2.29 117.38 124.71 2iny n GLN 230 Ca -0.11 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.76 2iny n GLN 230 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.77 2iny n GLN 230 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2iny n SER 231 N 0.00 0.81 -3.62 1.08 3.41 -1.26 -4.91 113.62 109.13 2iny n SER 231 Ca 0.00 -2.07 -0.22 0.00 -0.26 0.00 0.00 58.87 56.32 2iny n SER 231 Cb 0.00 0.57 0.04 0.00 -0.26 0.00 0.00 64.21 64.56 2iny n SER 231 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2iny n LEU 232 N 0.00 -3.44 -4.65 1.04 7.94 -1.26 -4.53 117.00 112.09 2iny n LEU 232 Ca -0.02 -0.82 -0.39 0.00 -1.11 0.00 0.00 56.01 53.67 2iny n LEU 232 Cb 0.30 -2.72 -0.07 0.00 0.53 0.00 0.00 43.42 41.45 2iny n LEU 232 CO 0.16 0.38 0.17 0.20 -1.11 0.00 0.00 177.39 177.18 2iny s ASN 233 N -4.12 6.47 0.02 1.96 -0.87 -1.26 -4.28 114.94 112.86 2iny s ASN 233 Ca 0.13 0.56 0.07 0.00 -1.57 0.00 0.00 52.86 52.04 2iny s ASN 233 Cb -0.03 -2.26 -0.02 0.00 -0.02 0.00 0.00 41.25 38.92 2iny s ASN 233 CO 0.80 -0.15 -0.20 -1.58 -2.57 0.00 0.00 177.10 173.40 2iny s GLN 234 N 1.63 1.50 0.36 -0.60 2.00 -0.24 -4.98 119.66 119.33 2iny s GLN 234 Ca 0.21 -0.84 0.08 0.00 -2.00 0.00 0.00 55.36 52.81 2iny s GLN 234 Cb -0.15 -1.54 -0.02 0.00 0.80 0.00 0.00 33.01 32.10 2iny s GLN 234 CO 0.09 0.41 0.33 0.95 -0.50 0.00 0.00 175.29 176.56 2iny s THR 235 N -0.65 3.25 -0.29 -0.34 -4.23 -1.26 0.28 115.64 112.41 2iny s THR 235 Ca 0.08 -1.35 -0.14 0.00 -1.18 0.00 0.00 61.69 59.09 2iny s THR 235 Cb -0.08 -3.12 0.12 0.00 1.34 0.00 0.00 72.50 70.76 2iny s THR 235 CO 0.01 -0.12 0.80 0.00 -0.54 0.00 0.00 174.62 174.77 2iny s ALA 236 N -2.36 -2.16 0.37 3.99 0.00 -0.80 -4.92 121.76 115.88 2iny s ALA 236 Ca 0.43 2.29 -0.02 0.00 0.00 0.00 0.00 51.96 54.67 2iny s ALA 236 Cb -0.05 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 2iny s ALA 236 CO 0.27 -0.62 0.61 0.71 0.00 0.00 0.00 175.76 176.73 2iny s TYR 237 N 2.06 3.51 0.07 0.00 2.02 -1.26 -2.00 117.35 121.75 2iny s TYR 237 Ca -0.07 0.52 0.03 0.00 -0.37 0.00 0.00 57.07 57.18 2iny s TYR 237 Cb -0.07 -2.04 -0.03 0.00 -0.40 0.00 0.00 41.96 39.43 2iny s TYR 237 CO -0.18 0.02 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.14 2iny s TRP 238 N -2.39 0.95 -0.30 2.71 0.52 -1.25 -5.01 118.94 114.17 2iny s TRP 238 Ca 0.43 -0.56 -0.13 0.00 0.02 0.00 0.00 56.10 55.85 2iny s TRP 238 Cb -0.10 -0.54 0.18 0.00 -1.15 0.00 0.00 33.47 31.86 2iny s TRP 238 CO 0.37 -0.02 1.10 -1.17 0.02 0.00 0.00 176.95 177.25 2iny s LEU 239 N -1.97 -0.30 -0.13 2.99 2.96 -1.26 -2.80 118.68 118.17 2iny s LEU 239 Ca -0.02 0.05 -0.19 0.00 -0.22 0.00 0.00 54.13 53.75 2iny s LEU 239 Cb -0.07 1.20 -0.26 0.00 0.50 0.00 0.00 46.19 47.56 2iny s LEU 239 CO 0.00 -0.05 0.54 -0.03 -1.32 0.00 0.00 176.35 175.49 2iny h MET 240 N 7.31 0.16 -5.10 1.98 1.85 -1.99 -3.42 114.93 115.72 2iny h MET 240 Ca -0.10 -0.28 -0.23 0.00 -0.61 0.00 0.00 59.70 58.48 2iny h MET 240 Cb 1.17 0.10 0.02 0.00 0.43 0.00 0.00 31.60 33.33 2iny h MET 240 CO -0.13 1.13 0.66 -0.40 -0.40 0.00 0.00 176.91 177.78 2iny n ASP 241 N -4.14 1.73 -4.40 1.39 5.75 -1.26 -4.82 116.55 110.80 2iny n ASP 241 Ca -0.24 -2.55 -0.45 0.00 -0.01 0.00 0.00 54.79 51.55 2iny n ASP 241 Cb 0.79 -1.46 -0.01 0.00 -1.03 0.00 0.00 41.12 39.42 2iny n ASP 241 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2iny s ASN 242 N 7.56 7.06 0.20 -1.12 0.01 -1.26 -4.80 114.94 122.58 2iny s ASN 242 Ca 0.75 -3.03 0.26 0.00 -0.71 0.00 0.00 52.86 50.13 2iny s ASN 242 Cb 0.01 -2.31 0.86 0.00 0.41 0.00 0.00 41.25 40.22 2iny s ASN 242 CO 0.20 -0.61 1.78 0.61 -1.51 0.00 0.00 177.10 177.58 2iny n GLY 243 N 3.80 -1.65 0.33 0.66 0.00 -1.26 -4.92 105.19 102.14 2iny n GLY 243 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2iny n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iny n GLY 244 N 1.20 1.00 1.25 -0.02 0.00 -1.26 -5.02 105.19 102.34 2iny n GLY 244 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2iny n GLY 244 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2iny n THR 245 N -0.56 0.00 -3.80 2.61 -1.04 -1.26 -5.10 114.28 105.13 2iny n THR 245 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 2iny n THR 245 Cb 0.11 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.54 2iny n THR 245 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2iny s ASN 246 N -2.08 6.12 -0.08 8.00 4.22 -1.26 -4.97 114.94 124.88 2iny s ASN 246 Ca 0.00 0.23 0.16 0.00 -2.14 0.00 0.00 52.86 51.11 2iny s ASN 246 Cb 0.00 -2.06 0.54 0.00 1.28 0.00 0.00 41.25 41.01 2iny s ASN 246 CO 0.00 0.20 1.46 -1.22 -2.04 0.00 0.00 177.10 175.50 2iny n TYR 247 N 3.36 1.01 -2.36 1.54 4.01 -1.26 -4.83 117.16 118.64 2iny n TYR 247 Ca -0.16 -0.63 -0.42 0.00 -0.16 0.00 0.00 57.90 56.52 2iny n TYR 247 Cb 0.52 -0.17 -0.03 0.00 -0.31 0.00 0.00 39.34 39.35 2iny n TYR 247 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2iny s LEU 248 N -1.73 4.26 0.00 7.72 1.43 -1.26 -5.02 118.68 124.07 2iny s LEU 248 Ca 0.40 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 2iny s LEU 248 Cb 0.26 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.93 2iny s LEU 248 CO 0.19 -0.70 0.00 0.61 0.23 0.00 0.00 176.35 176.68 2iny n GLY 249 N 3.57 -1.71 0.00 -3.19 0.00 -1.26 -4.95 105.19 97.65 2iny n GLY 249 Ca 0.13 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2iny n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iny n ALA 250 N -3.00 0.00 -2.55 4.61 0.00 -1.12 -4.78 120.51 113.67 2iny n ALA 250 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2iny n ALA 250 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2iny n ALA 250 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2iny s LEU 251 N 0.00 2.83 -0.37 0.00 1.02 -1.26 -4.90 118.68 115.99 2iny s LEU 251 Ca 0.00 -1.16 0.04 0.00 0.02 0.00 0.00 54.13 53.04 2iny s LEU 251 Cb 0.00 -1.10 0.16 0.00 0.02 0.00 0.00 46.19 45.27 2iny s LEU 251 CO 0.00 -0.25 0.45 0.00 0.02 0.00 0.00 176.35 176.58 2iny s ALA 252 N -2.59 -1.08 0.18 4.21 0.00 -1.26 -3.89 121.76 117.33 2iny s ALA 252 Ca 0.34 -0.50 -0.24 0.00 0.00 0.00 0.00 51.96 51.56 2iny s ALA 252 Cb 0.03 -2.25 -0.08 0.00 0.00 0.00 0.00 23.12 20.81 2iny s ALA 252 CO 0.18 -2.12 0.76 0.14 0.00 0.00 0.00 175.76 174.72 2iny s VAL 253 N 1.68 4.43 -0.76 0.00 -7.23 -0.85 -4.16 120.40 113.52 2iny s VAL 253 Ca 0.16 1.59 0.02 0.00 -1.81 0.00 0.00 61.98 61.94 2iny s VAL 253 Cb -0.12 -4.06 0.19 0.00 0.56 0.00 0.00 36.38 32.95 2iny s VAL 253 CO -0.08 0.45 0.58 -0.70 -0.31 0.00 0.00 175.10 175.05 2iny s GLU 254 N -1.35 2.76 -0.08 4.82 2.56 -1.10 -1.91 118.70 124.40 2iny s GLU 254 Ca 0.37 -3.20 -0.30 0.00 0.00 0.00 0.00 54.97 51.85 2iny s GLU 254 Cb -0.21 -3.65 -0.02 0.00 2.00 0.00 0.00 34.13 32.24 2iny s GLU 254 CO 0.25 -1.25 1.04 -0.51 -0.56 0.00 0.00 175.26 174.22 2iny s ASP 255 N -0.67 7.23 0.03 -1.70 1.11 0.14 0.09 116.67 122.90 2iny s ASP 255 Ca 0.25 1.60 -0.23 0.00 0.18 0.00 0.00 52.55 54.34 2iny s ASP 255 Cb -0.09 -2.56 0.05 0.00 1.07 0.00 0.00 42.92 41.40 2iny s ASP 255 CO -0.13 -0.45 0.53 -0.72 1.18 0.00 0.00 175.17 175.59 2iny s TYR 256 N 1.91 -0.45 0.26 4.23 1.13 0.08 -1.08 117.35 123.43 2iny s TYR 256 Ca 0.50 0.55 -0.25 0.00 -1.41 0.00 0.00 57.07 56.46 2iny s TYR 256 Cb -0.20 0.35 -0.09 0.00 -1.10 0.00 0.00 41.96 40.92 2iny s TYR 256 CO 0.20 -0.63 0.87 0.99 -2.51 0.00 0.00 175.55 174.47 2iny s THR 257 N -2.26 4.28 0.49 -3.49 2.01 -1.26 -2.11 115.64 113.30 2iny s THR 257 Ca -0.06 1.74 0.03 0.00 0.31 0.00 0.00 61.69 63.71 2iny s THR 257 Cb -0.01 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 2iny s THR 257 CO -0.00 0.28 0.07 -1.10 -0.69 0.00 0.00 174.62 173.18 2iny s GLN 258 N -1.75 2.16 -0.90 4.92 1.11 -1.26 -4.80 119.66 119.15 2iny s GLN 258 Ca 0.45 -2.24 -0.02 0.00 0.01 0.00 0.00 55.36 53.56 2iny s GLN 258 Cb -0.20 -1.67 0.28 0.00 -1.01 0.00 0.00 33.01 30.41 2iny s GLN 258 CO 0.25 -0.31 2.09 0.25 0.01 0.00 0.00 175.29 177.59 2iny n THR 259 N -1.27 4.52 -1.51 -0.19 -2.24 -1.26 -4.84 114.28 107.49 2iny n THR 259 Ca -0.12 -4.67 -0.36 0.00 -2.27 0.00 0.00 64.05 56.62 2iny n THR 259 Cb 0.66 -1.46 0.09 0.00 -2.10 0.00 0.00 70.33 67.52 2iny n THR 259 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2iny n LEU 260 N -0.01 5.13 0.00 3.22 4.32 -1.19 -4.22 117.00 124.25 2iny n LEU 260 Ca 0.52 0.74 0.00 0.00 -0.02 0.00 0.00 56.01 57.25 2iny n LEU 260 Cb 0.28 -1.51 0.00 0.00 -1.62 0.00 0.00 43.42 40.57 2iny n LEU 260 CO 0.50 -1.38 0.00 -1.54 -1.22 0.00 0.00 177.39 173.75 2iny n SER 261 N -2.15 0.00 -2.66 -1.43 3.41 -1.19 -4.98 113.62 104.61 2iny n SER 261 Ca 0.15 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.71 2iny n SER 261 Cb 0.49 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.51 2iny n SER 261 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2iny n TYR 262 N 0.00 -0.37 0.20 7.33 0.18 -1.26 -4.37 117.16 118.87 2iny n TYR 262 Ca 0.00 -0.64 0.04 0.00 1.88 0.00 0.00 57.90 59.18 2iny n TYR 262 Cb 0.00 1.06 0.43 0.00 -0.38 0.00 0.00 39.34 40.45 2iny n TYR 262 CO 0.00 0.00 0.00 -1.00 -2.08 0.00 0.00 176.86 173.78 2iny h PRO 263 N 3.13 0.00 -1.60 -3.48 0.13 -2.00 -3.26 132.00 124.92 2iny h PRO 263 Ca -0.23 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.40 2iny h PRO 263 Cb 1.22 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.94 2iny h PRO 263 CO -0.22 0.28 -0.96 -0.25 -0.23 0.00 0.00 178.00 176.62 2iny n ASP 264 N -4.20 2.80 -3.64 1.44 9.92 -1.26 -5.03 116.55 116.58 2iny n ASP 264 Ca -0.02 -3.24 -0.03 0.00 -0.53 0.00 0.00 54.79 50.97 2iny n ASP 264 Cb 0.33 -0.54 -0.05 0.00 -0.64 0.00 0.00 41.12 40.22 2iny n ASP 264 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2iny s THR 265 N -3.90 -0.68 -0.03 -3.53 -4.23 -1.23 -2.81 115.64 99.23 2iny s THR 265 Ca 0.40 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 2iny s THR 265 Cb 0.39 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 73.25 2iny s THR 265 CO -0.08 0.00 0.00 -0.69 -0.54 0.00 0.00 174.62 173.31 2iny s VAL 266 N 2.49 0.16 0.00 2.29 1.01 -0.28 -3.55 120.40 122.52 2iny s VAL 266 Ca -0.07 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2iny s VAL 266 Cb -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.02 2iny s VAL 266 CO -0.19 0.15 0.00 -0.11 0.00 0.00 0.00 175.10 174.94 2iny n LEU 267 N 4.21 0.00 0.00 3.92 7.94 -1.26 -2.53 117.00 129.28 2iny n LEU 267 Ca -0.25 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.65 2iny n LEU 267 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 2iny n LEU 267 CO 0.21 0.00 0.00 0.52 -1.11 0.00 0.00 177.39 177.01 2iny n VAL 268 N 0.00 0.00 -3.63 1.96 0.31 -1.26 -4.86 118.33 110.86 2iny n VAL 268 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 2iny n VAL 268 Cb 0.00 -0.03 -0.10 0.00 -0.91 0.00 0.00 33.84 32.80 2iny n VAL 268 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2iny s THR 269 N 0.68 4.13 1.01 2.52 2.01 -1.26 -4.57 115.64 120.15 2iny s THR 269 Ca 0.00 -1.43 -0.11 0.00 0.31 0.00 0.00 61.69 60.46 2iny s THR 269 Cb 0.00 -3.54 0.20 0.00 0.01 0.00 0.00 72.50 69.17 2iny s THR 269 CO 0.00 -0.50 1.09 -2.84 -0.69 0.00 0.00 174.62 171.68 2iny s PRO 270 N 1.40 0.30 0.31 4.92 0.02 -1.26 -4.91 135.00 135.78 2iny s PRO 270 Ca 0.03 1.15 0.05 0.00 0.02 0.00 0.00 61.00 62.25 2iny s PRO 270 Cb -0.23 -1.67 0.67 0.00 0.02 0.00 0.00 34.50 33.29 2iny s PRO 270 CO 0.02 -3.00 1.85 -1.35 -0.33 0.00 0.00 177.00 174.19 2iny h PRO 271 N -2.11 0.84 0.00 5.54 0.11 -1.93 -3.46 132.00 130.99 2iny h PRO 271 Ca -0.51 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.44 2iny h PRO 271 Cb 1.30 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2iny h PRO 271 CO 0.47 0.56 -0.00 -2.37 -0.21 0.00 0.00 178.00 176.45 2iny n THR 272 N -4.59 0.00 -0.11 -1.15 5.66 -1.26 -5.07 114.28 107.75 2iny n THR 272 Ca 0.18 -0.82 -0.13 0.00 -3.05 0.00 0.00 64.05 60.22 2iny n THR 272 Cb 0.40 0.58 -0.14 0.00 -1.55 0.00 0.00 70.33 69.61 2iny n THR 272 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2iny n ALA 273 N -1.72 1.48 -1.73 1.79 0.00 -1.26 -4.97 120.51 114.10 2iny n ALA 273 Ca -0.08 -1.21 -0.42 0.00 0.00 0.00 0.00 53.44 51.73 2iny n ALA 273 Cb 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 19.45 19.62 2iny n ALA 273 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2iny n TYR 274 N -2.97 2.73 -2.52 0.00 4.01 -1.26 -4.89 117.16 112.27 2iny n TYR 274 Ca -0.38 0.29 -0.40 0.00 -0.16 0.00 0.00 57.90 57.25 2iny n TYR 274 Cb 1.07 -2.57 -0.03 0.00 -0.31 0.00 0.00 39.34 37.50 2iny n TYR 274 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 2iny s GLN 275 N -0.56 3.48 0.00 -0.72 2.00 -1.26 -4.89 119.66 117.71 2iny s GLN 275 Ca 0.64 -0.99 0.00 0.00 -2.00 0.00 0.00 55.36 53.01 2iny s GLN 275 Cb -0.52 -5.25 0.00 0.00 0.80 0.00 0.00 33.01 28.04 2iny s GLN 275 CO 0.49 -2.30 0.00 1.04 -0.50 0.00 0.00 175.29 174.03 2iny n GLN 276 N 8.92 1.60 -0.44 1.67 6.02 -1.26 -4.96 117.38 128.94 2iny n GLN 276 Ca 0.31 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.24 2iny n GLN 276 Cb 0.51 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.85 2iny n GLN 276 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2iny n VAL 277 N 0.00 1.66 0.00 5.09 0.24 -1.26 -3.28 118.33 120.78 2iny n VAL 277 Ca 0.00 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 2iny n VAL 277 Cb 0.00 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 31.65 2iny n VAL 277 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2iny n ASN 278 N -0.04 0.00 -2.69 -1.34 4.13 -1.26 -4.46 115.26 109.60 2iny n ASN 278 Ca 0.20 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.42 2iny n ASN 278 Cb 0.87 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 39.16 2iny n ASN 278 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2iny n SER 279 N 0.00 -1.86 0.22 6.41 2.88 -1.08 -4.28 113.62 115.91 2iny n SER 279 Ca 0.00 -1.77 0.07 0.00 -1.33 0.00 0.00 58.87 55.84 2iny n SER 279 Cb 0.00 1.00 0.52 0.00 -0.75 0.00 0.00 64.21 64.98 2iny n SER 279 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2iny h GLY 280 N 3.95 0.00 -1.33 0.46 0.00 -1.93 -3.38 103.07 100.84 2iny h GLY 280 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2iny h GLY 280 CO -0.07 0.00 0.00 -0.37 0.00 0.00 0.00 176.54 176.10 2iny n THR 281 N -3.91 0.00 -2.71 4.70 5.66 -1.26 -4.67 114.28 112.08 2iny n THR 281 Ca -0.02 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.58 2iny n THR 281 Cb 0.32 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.05 2iny n THR 281 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 2iny s MET 282 N 0.00 4.75 0.18 1.09 -1.94 -1.26 -4.16 119.30 117.96 2iny s MET 282 Ca 0.00 1.50 -0.08 0.00 -1.71 0.00 0.00 55.69 55.40 2iny s MET 282 Cb 0.00 -3.33 -0.01 0.00 2.01 0.00 0.00 34.83 33.50 2iny s MET 282 CO 0.00 0.31 0.28 -0.98 -0.01 0.00 0.00 175.02 174.63 2iny s ARG 283 N -0.50 1.23 -0.10 2.03 1.70 -1.05 -3.86 118.95 118.39 2iny s ARG 283 Ca 0.45 -1.28 -0.09 0.00 -0.47 0.00 0.00 55.73 54.34 2iny s ARG 283 Cb -0.25 0.37 0.01 0.00 -0.57 0.00 0.00 34.95 34.51 2iny s ARG 283 CO 0.31 -0.45 0.15 0.00 -1.08 0.00 0.00 175.30 174.23 2iny n ALA 284 N -0.25 -1.63 -1.32 7.88 0.00 -1.26 -1.12 120.51 122.81 2iny n ALA 284 Ca -0.05 0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.17 2iny n ALA 284 Cb 0.63 -0.67 0.21 0.00 0.00 0.00 0.00 19.45 19.62 2iny n ALA 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2iny s ARG 286 N -5.45 4.28 0.50 0.00 3.52 -1.26 -4.07 118.95 116.46 2iny s ARG 286 Ca 0.70 0.50 -0.23 0.00 -0.13 0.00 0.00 55.73 56.58 2iny s ARG 286 Cb -0.10 -3.50 -0.06 0.00 -1.56 0.00 0.00 34.95 29.73 2iny s ARG 286 CO 0.55 -0.01 1.27 -1.25 -0.81 0.00 0.00 175.30 175.05 2iny s PRO 287 N 1.17 3.47 -0.19 5.12 0.04 -1.26 -4.79 135.00 138.55 2iny s PRO 287 Ca 0.27 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 63.25 2iny s PRO 287 Cb -0.16 -2.36 0.07 0.00 0.04 0.00 0.00 34.50 32.10 2iny s PRO 287 CO 0.11 -0.86 0.43 -0.80 0.04 0.00 0.00 177.00 175.92 2iny s ASN 288 N -1.11 -0.43 -0.35 6.66 -0.87 0.37 -4.65 114.94 114.55 2iny s ASN 288 Ca 0.67 0.98 -0.12 0.00 -1.57 0.00 0.00 52.86 52.82 2iny s ASN 288 Cb -0.35 1.07 -0.00 0.00 -0.02 0.00 0.00 41.25 41.95 2iny s ASN 288 CO 0.42 -0.21 0.22 -0.31 -2.57 0.00 0.00 177.10 174.65 2iny s TYR 289 N 1.96 3.22 -0.21 2.20 2.02 -1.26 0.12 117.35 125.40 2iny s TYR 289 Ca -0.06 -0.50 -0.12 0.00 -0.37 0.00 0.00 57.07 56.02 2iny s TYR 289 Cb -0.10 -2.46 -0.05 0.00 -0.40 0.00 0.00 41.96 38.95 2iny s TYR 289 CO -0.13 -0.48 0.24 0.42 -1.57 0.00 0.00 175.55 174.03 2iny s ILE 290 N 1.66 5.31 0.00 2.71 -1.09 -1.26 -3.24 121.20 125.29 2iny s ILE 290 Ca 0.05 0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.85 2iny s ILE 290 Cb -0.18 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 2iny s ILE 290 CO 0.09 0.34 0.00 0.61 -1.23 0.00 0.00 174.94 174.74 2iny n GLY 291 N 3.96 3.22 0.00 6.18 0.00 -0.31 -4.66 105.19 113.58 2iny n GLY 291 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2iny n GLY 291 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2iny n PHE 292 N 0.00 0.00 -4.39 1.61 3.72 -1.26 -0.75 117.46 116.39 2iny n PHE 292 Ca 0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 2iny n PHE 292 Cb 0.00 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.41 2iny n PHE 292 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2iny s ARG 293 N 1.15 1.40 0.35 -1.08 0.52 -1.26 -4.29 118.95 115.73 2iny s ARG 293 Ca 0.00 -1.38 -0.24 0.00 -0.52 0.00 0.00 55.73 53.59 2iny s ARG 293 Cb 0.00 -1.82 -0.15 0.00 0.52 0.00 0.00 34.95 33.50 2iny s ARG 293 CO 0.00 0.42 0.45 -3.47 0.02 0.00 0.00 175.30 172.72 2iny n ASP 294 N 0.74 -1.35 -4.23 0.23 2.03 -1.24 -0.68 116.55 112.05 2iny n ASP 294 Ca -0.17 0.96 -0.32 0.00 0.52 0.00 0.00 54.79 55.78 2iny n ASP 294 Cb 0.54 -1.02 -0.06 0.00 -0.72 0.00 0.00 41.12 39.86 2iny n ASP 294 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2iny n ASN 295 N 1.77 -0.75 -3.04 1.67 5.03 0.65 -2.71 115.26 117.88 2iny n ASN 295 Ca 0.13 -1.14 -0.17 0.00 0.87 0.00 0.00 54.58 54.27 2iny n ASN 295 Cb 0.35 -2.26 -0.04 0.00 -1.02 0.00 0.00 39.78 36.81 2iny n ASN 295 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2iny n PHE 296 N -4.41 -0.53 -1.38 3.10 3.72 0.14 -4.85 117.46 113.24 2iny n PHE 296 Ca -0.17 0.29 -0.37 0.00 -0.05 0.00 0.00 57.45 57.15 2iny n PHE 296 Cb 0.61 -1.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.20 2iny n PHE 296 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2iny n ILE 297 N -2.29 1.96 0.00 4.37 5.41 -1.10 -3.36 119.36 124.35 2iny n ILE 297 Ca -0.03 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.25 2iny n ILE 297 Cb 0.25 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.52 2iny n ILE 297 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2iny n ASN 298 N 0.42 0.00 0.00 4.38 3.02 -1.26 -4.68 115.26 117.13 2iny n ASN 298 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2iny n ASN 298 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 2iny n ASN 298 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2iny n LEU 299 N 0.00 0.00 -4.71 3.41 7.94 -1.22 -4.08 117.00 118.34 2iny n LEU 299 Ca 0.00 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.54 2iny n LEU 299 Cb 0.00 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.87 2iny n LEU 299 CO 0.00 0.00 -0.07 -0.76 -1.11 0.00 0.00 177.39 175.45 2iny s LEU 300 N 0.00 4.20 -0.14 -1.96 1.02 -1.26 -0.97 118.68 119.57 2iny s LEU 300 Ca 0.00 0.38 -0.29 0.00 0.02 0.00 0.00 54.13 54.24 2iny s LEU 300 Cb 0.00 -2.28 -0.06 0.00 0.02 0.00 0.00 46.19 43.88 2iny s LEU 300 CO 0.00 0.09 2.02 -0.31 0.02 0.00 0.00 176.35 178.17 2iny s TYR 301 N 0.64 1.39 -0.05 0.29 1.51 -0.57 -4.97 117.35 115.60 2iny s TYR 301 Ca 0.13 0.23 0.04 0.00 -1.01 0.00 0.00 57.07 56.47 2iny s TYR 301 Cb -0.13 -4.05 -0.00 0.00 -0.11 0.00 0.00 41.96 37.67 2iny s TYR 301 CO 0.03 -4.30 -0.18 -1.01 -1.11 0.00 0.00 175.55 168.98 2iny s HIS 302 N 6.50 1.84 0.00 2.71 3.76 -1.26 -4.57 115.29 124.26 2iny s HIS 302 Ca 0.91 -0.55 0.00 0.00 -0.15 0.00 0.00 55.06 55.26 2iny s HIS 302 Cb -0.34 -1.24 0.00 0.00 1.11 0.00 0.00 32.58 32.11 2iny s HIS 302 CO 0.36 -0.19 0.00 -0.25 -0.85 0.00 0.00 174.74 173.81 2iny n ASP 303 N 3.18 -2.43 -3.66 1.40 8.00 -1.26 -4.88 116.55 116.90 2iny n ASP 303 Ca -0.18 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.02 2iny n ASP 303 Cb 0.53 -0.47 -0.08 0.00 -0.02 0.00 0.00 41.12 41.08 2iny n ASP 303 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2iny n SER 304 N 1.90 3.97 -0.06 -2.24 3.41 -1.26 -4.03 113.62 115.31 2iny n SER 304 Ca 0.00 -3.36 0.02 0.00 -0.26 0.00 0.00 58.87 55.27 2iny n SER 304 Cb 0.10 -0.80 0.05 0.00 -0.26 0.00 0.00 64.21 63.30 2iny n SER 304 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2iny n GLY 305 N 1.28 -0.23 0.24 5.00 0.00 -1.26 0.42 105.19 110.63 2iny n GLY 305 Ca 0.27 0.16 -0.15 0.00 0.00 0.00 0.00 46.02 46.30 2iny n GLY 305 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2iny h VAL 306 N 0.00 0.59 -1.55 1.61 2.07 -1.93 -2.52 116.25 114.52 2iny h VAL 306 Ca 0.10 0.00 -0.71 0.00 0.82 0.00 0.00 66.70 66.91 2iny h VAL 306 Cb 0.20 0.59 -0.31 0.00 -1.52 0.00 0.00 31.29 30.25 2iny h VAL 306 CO -0.16 0.00 0.67 0.00 0.02 0.00 0.00 177.57 178.10 2iny s SER 308 N -1.78 7.29 0.13 0.00 0.15 0.93 -4.59 113.70 115.83 2iny s SER 308 Ca 0.55 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.78 2iny s SER 308 Cb 0.45 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 2iny s SER 308 CO -0.24 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.46 2iny n GLY 309 N 3.02 -0.73 2.70 9.45 0.00 -1.26 -4.99 105.19 113.37 2iny n GLY 309 Ca 0.07 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 2iny n GLY 309 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2iny n THR 310 N -1.52 0.00 -1.20 2.61 -1.04 0.29 -4.92 114.28 108.50 2iny n THR 310 Ca 0.00 -1.26 -0.31 0.00 -2.04 0.00 0.00 64.05 60.44 2iny n THR 310 Cb 0.00 1.17 0.10 0.00 -1.82 0.00 0.00 70.33 69.78 2iny n THR 310 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2iny s LEU 311 N -2.37 2.95 0.00 -4.42 0.20 -1.26 -2.77 118.68 111.01 2iny s LEU 311 Ca 0.19 1.83 0.00 0.00 0.69 0.00 0.00 54.13 56.85 2iny s LEU 311 Cb 0.30 -4.48 0.00 0.00 -0.43 0.00 0.00 46.19 41.58 2iny s LEU 311 CO -0.08 -2.19 0.00 -0.46 -0.29 0.00 0.00 176.35 173.32 2iny n ASN 312 N -3.63 0.00 -4.25 3.68 6.94 0.17 -3.64 115.26 114.54 2iny n ASN 312 Ca 0.09 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.36 2iny n ASN 312 Cb 0.53 0.00 0.18 0.00 -2.36 0.00 0.00 39.78 38.13 2iny n ASN 312 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2iny s SER 313 N 0.00 2.59 -0.22 0.53 0.15 -1.26 0.41 113.70 115.91 2iny s SER 313 Ca 0.00 0.60 -0.13 0.00 0.70 0.00 0.00 55.95 57.13 2iny s SER 313 Cb 0.00 -0.88 -0.09 0.00 -1.71 0.00 0.00 66.02 63.33 2iny s SER 313 CO 0.00 -3.09 -0.31 -0.62 1.20 0.00 0.00 173.24 170.43 2iny n GLU 314 N -4.06 0.50 0.18 5.44 1.02 -1.26 -2.43 120.64 120.02 2iny n GLU 314 Ca 0.12 0.22 0.16 0.00 -0.02 0.00 0.00 57.16 57.64 2iny n GLU 314 Cb 0.59 -1.34 0.61 0.00 -0.02 0.00 0.00 31.44 31.29 2iny n GLU 314 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2iny h ARG 315 N -0.86 0.00 0.00 3.49 2.43 -1.87 -1.02 114.38 116.55 2iny h ARG 315 Ca -0.50 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2iny h ARG 315 Cb 1.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 2iny h ARG 315 CO -0.30 0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 177.03 2iny n SER 316 N -3.15 0.00 -0.46 -3.80 3.41 -1.26 -5.00 113.62 103.35 2iny n SER 316 Ca 0.05 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 2iny n SER 316 Cb 0.72 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 2iny n SER 316 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2iny n GLY 317 N 0.00 0.00 3.26 5.00 0.00 -0.39 -4.87 105.19 108.19 2iny n GLY 317 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2iny n GLY 317 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2iny s MET 318 N -0.55 3.21 0.14 1.61 -1.94 -1.26 -4.93 119.30 115.58 2iny s MET 318 Ca 0.00 -0.75 -0.31 0.00 -1.71 0.00 0.00 55.69 52.92 2iny s MET 318 Cb 0.00 -2.65 -0.09 0.00 2.01 0.00 0.00 34.83 34.11 2iny s MET 318 CO 0.00 -0.02 1.42 1.21 -0.01 0.00 0.00 175.02 177.63 2iny s ASN 319 N 0.90 6.77 -0.11 3.03 3.84 -1.26 -4.39 114.94 123.72 2iny s ASN 319 Ca -0.04 2.42 0.15 0.00 0.21 0.00 0.00 52.86 55.60 2iny s ASN 319 Cb -0.15 -2.59 0.49 0.00 -0.55 0.00 0.00 41.25 38.45 2iny s ASN 319 CO -0.01 -0.68 1.41 1.33 -2.79 0.00 0.00 177.10 176.35 2iny n VAL 320 N 3.70 1.78 -3.99 -5.21 0.24 -1.24 -4.90 118.33 108.71 2iny n VAL 320 Ca 0.11 -1.44 -0.30 0.00 -2.04 0.00 0.00 64.34 60.67 2iny n VAL 320 Cb 0.41 0.07 -0.16 0.00 -1.47 0.00 0.00 33.84 32.70 2iny n VAL 320 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2iny s VAL 321 N -2.02 1.53 -0.28 3.34 1.01 -1.26 -4.54 120.40 118.17 2iny s VAL 321 Ca 0.37 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 2iny s VAL 321 Cb 0.26 -1.56 0.12 0.00 0.00 0.00 0.00 36.38 35.20 2iny s VAL 321 CO 0.14 0.26 0.22 -0.69 0.00 0.00 0.00 175.10 175.03 2iny s VAL 322 N 1.47 -0.26 0.72 2.92 1.01 -1.26 -4.74 120.40 120.26 2iny s VAL 322 Ca 0.01 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 2iny s VAL 322 Cb -0.15 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.29 2iny s VAL 322 CO -0.09 -0.56 1.07 -1.83 0.00 0.00 0.00 175.10 173.69 2iny s GLU 323 N 2.25 2.70 0.00 2.72 -1.05 -1.26 -5.09 118.70 118.97 2iny s GLU 323 Ca 0.09 0.86 0.00 0.00 -0.15 0.00 0.00 54.97 55.77 2iny s GLU 323 Cb -0.15 -1.97 0.00 0.00 -0.44 0.00 0.00 34.13 31.57 2iny s GLU 323 CO -0.33 -1.24 0.00 1.28 0.95 0.00 0.00 175.26 175.92 2iny n LEU 324 N -3.21 0.00 -0.35 1.83 4.77 -1.26 -4.41 117.00 114.37 2iny n LEU 324 Ca 0.07 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.13 2iny n LEU 324 Cb 0.54 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.81 2iny n LEU 324 CO 0.56 -0.01 0.48 0.00 -1.33 0.00 0.00 177.39 177.09 2iny n GLN 325 N -0.01 1.46 0.00 3.23 6.02 -1.26 -4.07 117.38 122.75 2iny n GLN 325 Ca 0.00 -2.93 0.00 0.00 -0.01 0.00 0.00 57.00 54.06 2iny n GLN 325 Cb 0.00 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 29.69 2iny n GLN 325 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2iny n ASP 326 N -1.27 0.57 -4.07 1.08 8.00 -1.26 -4.82 116.55 114.78 2iny n ASP 326 Ca 0.18 -0.23 -0.43 0.00 0.71 0.00 0.00 54.79 55.02 2iny n ASP 326 Cb 0.67 0.58 0.00 0.00 -0.02 0.00 0.00 41.12 42.36 2iny n ASP 326 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2iny n ARG 327 N -0.64 3.38 -1.67 -1.24 1.74 -1.26 -3.59 116.66 113.38 2iny n ARG 327 Ca 0.00 -3.42 -0.51 0.00 -0.77 0.00 0.00 57.85 53.16 2iny n ARG 327 Cb 0.00 -3.08 -0.05 0.00 -1.02 0.00 0.00 32.46 28.31 2iny n ARG 327 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2iny n ASN 328 N 5.19 2.73 -0.08 0.55 2.85 -1.26 -4.73 115.26 120.51 2iny n ASN 328 Ca 0.42 1.06 -0.10 0.00 -0.11 0.00 0.00 54.58 55.84 2iny n ASN 328 Cb 0.39 -1.29 -0.03 0.00 1.24 0.00 0.00 39.78 40.09 2iny n ASN 328 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 2iny n THR 329 N 4.01 1.43 -0.07 -0.44 -1.04 -1.26 -4.31 114.28 112.59 2iny n THR 329 Ca 0.21 0.10 -0.04 0.00 -2.04 0.00 0.00 64.05 62.28 2iny n THR 329 Cb 0.23 -2.16 -0.03 0.00 -1.82 0.00 0.00 70.33 66.55 2iny n THR 329 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2iny h GLU 330 N -0.84 -0.08 -0.83 -2.82 4.39 -1.93 -0.38 114.58 112.09 2iny h GLU 330 Ca -0.10 0.01 0.24 0.00 0.34 0.00 0.00 59.36 59.85 2iny h GLU 330 Cb 0.95 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.58 2iny h GLU 330 CO -0.06 -0.05 0.88 1.25 -1.16 0.00 0.00 179.01 179.87 2iny h LEU 331 N -0.08 0.00 0.03 1.33 5.85 -1.80 -1.59 115.31 119.04 2iny h LEU 331 Ca 0.03 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2iny h LEU 331 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2iny h LEU 331 CO -0.23 0.00 -0.02 -1.28 -0.34 0.00 0.00 178.44 176.58 2iny h SER 332 N 0.00 -0.04 -0.93 1.25 0.87 -1.25 -2.62 113.55 110.83 2iny h SER 332 Ca 0.40 0.00 0.27 0.00 -1.23 0.00 0.00 61.79 61.23 2iny h SER 332 Cb 2.15 0.01 -0.16 0.00 -0.44 0.00 0.00 62.40 63.96 2iny h SER 332 CO -0.00 -0.00 0.19 0.22 -0.53 0.00 0.00 176.83 176.70 2iny h TYR 333 N -0.09 0.25 0.00 2.24 3.20 -1.15 2.49 116.97 123.91 2iny h TYR 333 Ca -0.00 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2iny h TYR 333 Cb 0.03 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.35 2iny h TYR 333 CO 0.09 -0.33 0.00 1.96 -1.64 0.00 0.00 178.16 178.24 2iny h GLN 334 N 0.11 0.00 0.09 1.82 1.08 -1.53 -1.87 115.11 114.80 2iny h GLN 334 Ca 0.60 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.56 2iny h GLN 334 Cb 1.28 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.71 2iny h GLN 334 CO -0.77 0.00 -1.26 -0.92 -0.95 0.00 0.00 178.83 174.93 2iny h TYR 335 N 0.00 0.33 0.00 2.96 3.20 0.45 -3.35 116.97 120.57 2iny h TYR 335 Ca 0.00 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.63 2iny h TYR 335 Cb 0.39 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.65 2iny h TYR 335 CO 0.00 1.49 0.00 -0.12 -1.64 0.00 0.00 178.16 177.89 2iny n MET 336 N -4.06 0.08 -0.08 1.82 1.56 0.48 -3.54 117.12 113.38 2iny n MET 336 Ca -0.25 0.39 -0.20 0.00 -0.27 0.00 0.00 57.70 57.37 2iny n MET 336 Cb 0.83 -1.68 -0.12 0.00 2.15 0.00 0.00 33.22 34.39 2iny n MET 336 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 2iny h LEU 337 N 0.00 0.07 -1.03 -0.89 7.12 -1.48 -3.27 115.31 115.82 2iny h LEU 337 Ca 0.00 -0.67 0.12 0.00 0.13 0.00 0.00 57.88 57.46 2iny h LEU 337 Cb 0.22 -0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 40.25 2iny h LEU 337 CO 0.00 1.43 0.63 0.00 -0.13 0.00 0.00 178.44 180.37 2iny h ALA 338 N -0.31 1.54 -0.11 1.25 0.00 -1.60 -2.42 119.26 117.61 2iny h ALA 338 Ca -0.28 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2iny h ALA 338 Cb 1.33 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 2iny h ALA 338 CO -0.12 0.22 -0.52 0.22 0.00 0.00 0.00 179.25 179.05 2iny h ASP 339 N 0.98 -1.63 0.97 0.00 1.82 -1.68 -2.35 116.42 114.53 2iny h ASP 339 Ca 0.49 0.19 0.00 0.00 -0.39 0.00 0.00 57.03 57.32 2iny h ASP 339 Cb 0.49 0.63 0.00 0.00 0.68 0.00 0.00 39.33 41.13 2iny h ASP 339 CO -0.25 -0.47 0.00 1.15 -1.61 0.00 0.00 179.24 178.06 2iny n MET 340 N -5.28 0.04 -3.64 0.28 0.00 -1.15 -4.83 117.12 102.54 2iny n MET 340 Ca -0.06 0.07 -0.07 0.00 0.00 0.00 0.00 57.70 57.64 2iny n MET 340 Cb 0.36 -1.55 -0.07 0.00 0.00 0.00 0.00 33.22 31.97 2iny n MET 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2iny s MET 341 N -3.02 0.37 -0.40 3.17 0.23 -0.89 -5.11 119.30 113.64 2iny s MET 341 Ca 0.12 0.42 -0.41 0.00 -1.03 0.00 0.00 55.69 54.79 2iny s MET 341 Cb 0.16 0.18 -0.16 0.00 -1.53 0.00 0.00 34.83 33.48 2iny s MET 341 CO 0.49 -0.05 1.98 0.45 -2.03 0.00 0.00 175.02 175.87 2iny n SER 342 N 1.96 1.63 0.11 -1.18 2.88 -1.19 -3.40 113.62 114.42 2iny n SER 342 Ca -0.12 0.77 0.05 0.00 -1.33 0.00 0.00 58.87 58.25 2iny n SER 342 Cb 0.56 -1.06 0.28 0.00 -0.75 0.00 0.00 64.21 63.24 2iny n SER 342 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2iny n ARG 343 N 6.71 0.07 -0.68 -1.46 5.12 -1.26 -1.98 116.66 123.18 2iny n ARG 343 Ca 0.41 0.51 -0.06 0.00 -1.93 0.00 0.00 57.85 56.77 2iny n ARG 343 Cb 0.08 -1.92 -0.09 0.00 -1.16 0.00 0.00 32.46 29.37 2iny n ARG 343 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 2iny n HIS 344 N -1.85 0.00 -3.76 -1.55 -0.00 -1.26 -3.95 115.22 102.84 2iny n HIS 344 Ca -0.01 -1.11 -0.22 0.00 -0.00 0.00 0.00 57.72 56.39 2iny n HIS 344 Cb 0.22 -1.05 -0.04 0.00 -0.00 0.00 0.00 29.99 29.12 2iny n HIS 344 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2iny s HIS 345 N 0.92 2.76 -0.25 1.57 5.04 -0.84 -5.06 115.29 119.43 2iny s HIS 345 Ca 0.35 -0.43 0.13 0.00 -1.54 0.00 0.00 55.06 53.57 2iny s HIS 345 Cb 0.17 -1.97 0.47 0.00 0.04 0.00 0.00 32.58 31.28 2iny s HIS 345 CO 0.00 0.06 1.17 0.66 -2.34 0.00 0.00 174.74 174.29 2iny n TYR 346 N -1.41 1.84 -1.85 3.88 4.02 -1.26 -4.15 117.16 118.22 2iny n TYR 346 Ca 0.01 -2.01 -0.43 0.00 -0.01 0.00 0.00 57.90 55.46 2iny n TYR 346 Cb 0.61 -0.29 -0.03 0.00 -0.02 0.00 0.00 39.34 39.62 2iny n TYR 346 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 2iny s PHE 347 N -3.40 1.59 0.31 -0.72 2.19 -1.25 -4.78 117.98 111.92 2iny s PHE 347 Ca 0.42 0.51 0.15 0.00 0.33 0.00 0.00 56.93 58.34 2iny s PHE 347 Cb 0.38 -4.05 0.73 0.00 -1.31 0.00 0.00 43.02 38.78 2iny s PHE 347 CO -0.01 -3.54 1.80 0.00 1.83 0.00 0.00 175.22 175.30 2iny h ALA 348 N 13.19 1.21 -3.00 11.12 0.00 -1.95 -2.06 119.26 137.76 2iny h ALA 348 Ca -0.37 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2iny h ALA 348 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2iny h ALA 348 CO 0.99 0.48 0.00 -0.11 0.00 0.00 0.00 179.25 180.62 2iny n LEU 349 N -3.85 0.00 -0.71 0.00 7.94 -1.26 -2.01 117.00 117.10 2iny n LEU 349 Ca -0.01 0.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 2iny n LEU 349 Cb 0.45 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.40 2iny n LEU 349 CO 0.38 0.00 0.00 0.79 -1.11 0.00 0.00 177.39 177.45 2iny n TRP 350 N -0.20 0.00 -3.88 1.96 5.03 -1.25 -4.67 117.44 114.42 2iny n TRP 350 Ca 0.00 0.00 -0.27 0.00 3.03 0.00 0.00 57.50 60.26 2iny n TRP 350 Cb 0.00 -0.04 -0.07 0.00 -1.03 0.00 0.00 31.31 30.17 2iny n TRP 350 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 2iny n ASN 351 N 0.66 0.06 -4.60 -0.99 4.13 -0.85 -1.99 115.26 111.68 2iny n ASN 351 Ca 0.00 -0.98 -0.42 0.00 1.68 0.00 0.00 54.58 54.86 2iny n ASN 351 Cb 0.00 -1.23 -0.05 0.00 -1.54 0.00 0.00 39.78 36.97 2iny n ASN 351 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2iny s GLN 352 N -6.20 3.86 -0.37 3.52 0.74 -0.77 0.24 119.66 120.67 2iny s GLN 352 Ca 0.20 0.50 -0.02 0.00 0.05 0.00 0.00 55.36 56.09 2iny s GLN 352 Cb -0.12 -3.78 0.23 0.00 1.10 0.00 0.00 33.01 30.45 2iny s GLN 352 CO 0.78 -0.82 1.08 0.00 -0.55 0.00 0.00 175.29 175.78 2iny n ALA 353 N 6.46 -3.25 -1.36 1.58 0.00 -1.26 -3.75 120.51 118.92 2iny n ALA 353 Ca 0.05 -0.34 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 2iny n ALA 353 Cb 0.48 -2.87 0.01 0.00 0.00 0.00 0.00 19.45 17.07 2iny n ALA 353 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2iny n VAL 354 N 2.17 1.12 -3.18 0.00 3.14 -1.25 -4.36 118.33 115.97 2iny n VAL 354 Ca 0.09 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.57 2iny n VAL 354 Cb 0.66 -0.25 -0.06 0.00 -1.06 0.00 0.00 33.84 33.13 2iny n VAL 354 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 2iny s ASP 355 N -1.00 6.72 -0.13 6.55 1.01 -1.26 -4.29 116.67 124.27 2iny s ASP 355 Ca 0.61 0.87 -0.14 0.00 0.71 0.00 0.00 52.55 54.60 2iny s ASP 355 Cb -0.60 -2.33 0.04 0.00 1.01 0.00 0.00 42.92 41.04 2iny s ASP 355 CO 0.61 -0.16 0.39 0.00 0.21 0.00 0.00 175.17 176.22 2iny s GLN 356 N 1.32 0.49 0.00 8.23 1.03 -1.26 -4.95 119.66 124.52 2iny s GLN 356 Ca 0.29 0.46 0.00 0.00 0.04 0.00 0.00 55.36 56.15 2iny s GLN 356 Cb -0.16 0.24 0.00 0.00 0.03 0.00 0.00 33.01 33.12 2iny s GLN 356 CO 0.12 -0.07 0.00 2.48 -2.54 0.00 0.00 175.29 175.27 2iny n TYR 357 N 2.66 -1.59 -3.65 9.60 0.18 -1.26 -1.97 117.16 121.13 2iny n TYR 357 Ca -0.14 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.26 2iny n TYR 357 Cb 0.57 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.42 2iny n TYR 357 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2iny s ASP 358 N -1.00 5.64 0.00 9.48 -1.08 -1.26 -4.71 116.67 123.73 2iny s ASP 358 Ca 0.00 -0.17 0.00 0.00 -0.52 0.00 0.00 52.55 51.86 2iny s ASP 358 Cb 0.00 -2.03 0.00 0.00 -1.46 0.00 0.00 42.92 39.43 2iny s ASP 358 CO 0.00 -0.07 0.30 1.57 0.52 0.00 0.00 175.17 177.48 2iny n HIS 359 N 5.00 0.00 -0.32 -5.34 -0.00 -1.26 -1.07 115.22 112.23 2iny n HIS 359 Ca -0.15 0.00 0.27 0.00 -0.00 0.00 0.00 57.72 57.85 2iny n HIS 359 Cb 0.51 0.00 0.42 0.00 -0.00 0.00 0.00 29.99 30.92 2iny n HIS 359 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2iny n ASP 360 N -0.76 0.00 -0.07 0.26 8.00 -1.26 -1.99 116.55 120.73 2iny n ASP 360 Ca 0.00 0.56 -0.11 0.00 0.71 0.00 0.00 54.79 55.95 2iny n ASP 360 Cb 0.00 -0.25 -0.09 0.00 -0.02 0.00 0.00 41.12 40.76 2iny n ASP 360 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2iny h VAL 361 N 0.00 1.16 0.00 2.53 2.07 -1.52 -3.33 116.25 117.17 2iny h VAL 361 Ca 0.48 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 66.06 2iny h VAL 361 Cb 2.16 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 34.20 2iny h VAL 361 CO -0.01 0.39 0.00 -1.14 0.02 0.00 0.00 177.57 176.84 2iny n ARG 362 N -4.63 0.00 -2.66 1.57 3.00 -0.84 -3.86 116.66 109.24 2iny n ARG 362 Ca -0.10 0.33 -0.42 0.00 -0.00 0.00 0.00 57.85 57.66 2iny n ARG 362 Cb 0.38 -1.19 -0.03 0.00 0.00 0.00 0.00 32.46 31.62 2iny n ARG 362 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2iny s VAL 363 N -1.77 4.14 0.06 5.15 -7.23 -1.24 -4.43 120.40 115.08 2iny s VAL 363 Ca 0.00 -1.00 -0.37 0.00 -1.81 0.00 0.00 61.98 58.80 2iny s VAL 363 Cb 0.00 -4.99 -0.16 0.00 0.56 0.00 0.00 36.38 31.79 2iny s VAL 363 CO 0.00 -1.83 1.43 0.33 -0.31 0.00 0.00 175.10 174.72 2iny n PHE 364 N 8.25 1.70 -4.06 2.82 7.35 -1.25 -4.58 117.46 127.68 2iny n PHE 364 Ca 0.31 0.56 -0.33 0.00 -0.76 0.00 0.00 57.45 57.23 2iny n PHE 364 Cb 0.50 -2.38 -0.15 0.00 0.35 0.00 0.00 39.48 37.80 2iny n PHE 364 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2iny s ASN 365 N 0.93 3.99 -0.61 -2.13 0.01 -1.25 -1.67 114.94 114.21 2iny s ASN 365 Ca 0.85 -1.04 0.00 0.00 -0.71 0.00 0.00 52.86 51.96 2iny s ASN 365 Cb -0.92 -1.55 0.16 0.00 0.41 0.00 0.00 41.25 39.34 2iny s ASN 365 CO 0.47 -0.12 0.40 0.21 -1.51 0.00 0.00 177.10 176.56 2iny s ASN 366 N 1.21 4.93 0.00 -1.22 2.47 -1.25 -4.76 114.94 116.32 2iny s ASN 366 Ca -0.02 -3.03 0.28 0.00 0.42 0.00 0.00 52.86 50.51 2iny s ASN 366 Cb -0.17 -1.77 1.05 0.00 -1.45 0.00 0.00 41.25 38.91 2iny s ASN 366 CO -0.07 -0.29 1.75 -0.90 -3.72 0.00 0.00 177.10 173.87 2iny n ASP 367 N 3.19 0.72 0.00 -4.21 5.75 -1.26 0.12 116.55 120.85 2iny n ASP 367 Ca 0.08 -0.74 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 2iny n ASP 367 Cb 0.36 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 2iny n ASP 367 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2iny n GLY 368 N 1.29 2.11 0.00 6.12 0.00 -1.26 -4.81 105.19 108.64 2iny n GLY 368 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2iny n GLY 368 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2iny n TYR 369 N 0.00 0.00 -3.64 1.61 4.11 -1.26 -4.89 117.16 113.09 2iny n TYR 369 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.85 2iny n TYR 369 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.27 2iny n TYR 369 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.86 174.86 2iny s GLU 370 N -1.79 0.44 0.15 -3.48 2.56 -1.26 -5.05 118.70 110.26 2iny s GLU 370 Ca 0.00 0.65 0.06 0.00 0.00 0.00 0.00 54.97 55.68 2iny s GLU 370 Cb 0.00 0.14 -0.04 0.00 2.00 0.00 0.00 34.13 36.23 2iny s GLU 370 CO 0.00 -0.07 -0.13 -2.00 -0.56 0.00 0.00 175.26 172.50 2iny s GLU 371 N 0.90 1.11 0.00 4.30 2.56 -1.26 -4.64 118.70 121.66 2iny s GLU 371 Ca -0.04 -1.39 0.00 0.00 0.00 0.00 0.00 54.97 53.54 2iny s GLU 371 Cb -0.04 -0.87 0.00 0.00 2.00 0.00 0.00 34.13 35.22 2iny s GLU 371 CO -0.12 0.15 0.00 0.41 -0.56 0.00 0.00 175.26 175.14 2iny n GLY 372 N 0.08 0.70 3.69 -1.50 0.00 -1.26 -5.06 105.19 101.84 2iny n GLY 372 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 2iny n GLY 372 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iny s VAL 373 N 0.33 5.10 -0.37 1.61 1.01 -1.26 -4.97 120.40 121.84 2iny s VAL 373 Ca 0.00 1.09 -0.28 0.00 0.00 0.00 0.00 61.98 62.79 2iny s VAL 373 Cb 0.00 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 2iny s VAL 373 CO 0.00 0.21 2.32 -0.81 0.00 0.00 0.00 175.10 176.82 2iny n PRO 374 N 4.39 1.43 -3.41 2.72 -0.04 -1.26 -4.88 135.00 133.95 2iny n PRO 374 Ca -0.04 0.27 -0.38 0.00 -0.04 0.00 0.00 63.50 63.31 2iny n PRO 374 Cb 0.51 -3.20 -0.07 0.00 -0.04 0.00 0.00 33.50 30.69 2iny n PRO 374 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2iny s THR 375 N 9.91 5.21 0.31 0.52 2.01 -1.26 -5.01 115.64 127.33 2iny s THR 375 Ca 1.02 0.68 0.08 0.00 0.31 0.00 0.00 61.69 63.78 2iny s THR 375 Cb -0.35 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 2iny s THR 375 CO 0.33 0.27 0.22 -0.31 -0.69 0.00 0.00 174.62 174.44 2iny s TYR 376 N 1.19 2.90 0.03 4.92 4.12 -1.26 -4.04 117.35 125.22 2iny s TYR 376 Ca 0.19 -0.26 0.00 0.00 0.02 0.00 0.00 57.07 57.02 2iny s TYR 376 Cb -0.15 -1.63 -0.04 0.00 -1.52 0.00 0.00 41.96 38.63 2iny s TYR 376 CO 0.08 0.33 0.12 0.00 0.02 0.00 0.00 175.55 176.09 2iny s ALA 377 N -2.29 3.71 0.09 3.71 0.00 -1.26 -4.92 121.76 120.81 2iny s ALA 377 Ca 0.38 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.50 2iny s ALA 377 Cb -0.06 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 2iny s ALA 377 CO 0.25 0.74 -0.14 -0.06 0.00 0.00 0.00 175.76 176.55 2iny s PHE 378 N -1.33 1.31 -0.30 0.00 2.99 -1.26 -3.37 117.98 116.02 2iny s PHE 378 Ca 0.28 -0.50 -0.38 0.00 0.00 0.00 0.00 56.93 56.32 2iny s PHE 378 Cb -0.12 -0.72 -0.14 0.00 0.00 0.00 0.00 43.02 42.04 2iny s PHE 378 CO 0.20 0.10 1.93 -0.11 -0.00 0.00 0.00 175.22 177.33 2iny n LEU 379 N 0.96 2.28 0.17 -0.37 -0.00 -1.20 -4.86 117.00 113.98 2iny n LEU 379 Ca -0.19 0.83 -0.07 0.00 -0.00 0.00 0.00 56.01 56.58 2iny n LEU 379 Cb 0.55 -1.18 -0.03 0.00 -0.00 0.00 0.00 43.42 42.76 2iny n LEU 379 CO 0.24 -0.52 0.32 1.55 -0.00 0.00 0.00 177.39 178.98 2iny h PRO 380 N 9.17 -0.45 -5.18 1.96 0.13 -1.96 -3.41 132.00 132.26 2iny h PRO 380 Ca -0.38 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2iny h PRO 380 Cb 1.32 0.10 -0.05 0.00 0.13 0.00 0.00 31.00 32.50 2iny h PRO 380 CO 0.99 -0.30 -1.20 -0.25 -0.23 0.00 0.00 178.00 177.01 2iny n ASP 381 N -3.82 -5.11 0.00 1.44 8.00 -1.26 -3.66 116.55 112.14 2iny n ASP 381 Ca -0.06 1.35 0.00 0.00 0.71 0.00 0.00 54.79 56.79 2iny n ASP 381 Cb 0.18 -5.04 0.00 0.00 -0.02 0.00 0.00 41.12 36.24 2iny n ASP 381 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2iny n GLY 382 N 1.17 0.01 2.10 0.44 0.00 -1.26 -4.00 105.19 103.65 2iny n GLY 382 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2iny n GLY 382 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2iny n HIS 383 N 0.00 -3.31 0.00 1.61 1.44 -1.26 -4.93 115.22 108.78 2iny n HIS 383 Ca 0.00 0.72 0.00 0.00 -2.01 0.00 0.00 57.72 56.43 2iny n HIS 383 Cb 0.00 2.02 0.00 0.00 0.12 0.00 0.00 29.99 32.13 2iny n HIS 383 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2iny n GLY 384 N -1.13 0.00 0.00 -1.39 0.00 -1.26 -4.32 105.19 97.09 2iny n GLY 384 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2iny n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iny n ALA 385 N -0.56 0.00 0.00 4.61 0.00 -1.26 -5.03 120.51 118.27 2iny n ALA 385 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2iny n ALA 385 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2iny n ALA 385 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iny n GLY 386 N 5.00 3.71 3.40 0.00 0.00 -1.24 -5.04 105.19 111.03 2iny n GLY 386 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 2iny n GLY 386 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2iny s GLU 387 N 0.00 1.93 -0.09 1.61 4.04 -1.26 -4.36 118.70 120.57 2iny s GLU 387 Ca 0.00 -1.05 -0.10 0.00 0.04 0.00 0.00 54.97 53.86 2iny s GLU 387 Cb 0.00 -2.08 -0.03 0.00 0.02 0.00 0.00 34.13 32.03 2iny s GLU 387 CO 0.00 0.53 -0.20 -3.47 -1.84 0.00 0.00 175.26 170.28 2iny n ASP 388 N 1.66 1.22 -4.57 0.83 2.03 -1.26 -4.89 116.55 111.56 2iny n ASP 388 Ca -0.17 0.20 -0.40 0.00 0.52 0.00 0.00 54.79 54.95 2iny n ASP 388 Cb 0.52 -0.59 -0.03 0.00 -0.72 0.00 0.00 41.12 40.30 2iny n ASP 388 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2iny s ASN 389 N -5.34 5.12 -0.29 1.67 4.22 -1.26 -4.89 114.94 114.16 2iny s ASN 389 Ca -0.16 1.28 -0.16 0.00 -2.14 0.00 0.00 52.86 51.67 2iny s ASN 389 Cb 0.02 -2.51 0.16 0.00 1.28 0.00 0.00 41.25 40.20 2iny s ASN 389 CO 0.24 -2.32 1.04 -0.83 -2.04 0.00 0.00 177.10 173.20 2iny s GLY 390 N 9.36 0.14 0.00 0.45 0.00 -1.24 -4.49 107.32 111.54 2iny s GLY 390 Ca 0.91 3.28 0.00 0.00 0.00 0.00 0.00 44.72 48.92 2iny s GLY 390 CO 0.29 2.60 0.00 -1.55 0.00 0.00 0.00 173.10 174.44 2iny n PRO 391 N 3.49 0.08 -4.69 2.90 -0.04 -1.26 -4.44 135.00 131.04 2iny n PRO 391 Ca -0.18 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.02 2iny n PRO 391 Cb 0.57 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.89 2iny n PRO 391 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2iny s ASP 392 N -1.32 2.51 -0.04 3.54 1.01 -1.26 -3.26 116.67 117.85 2iny s ASP 392 Ca 0.00 -0.51 -0.03 0.00 0.71 0.00 0.00 52.55 52.72 2iny s ASP 392 Cb 0.00 -0.22 0.02 0.00 1.01 0.00 0.00 42.92 43.73 2iny s ASP 392 CO 0.00 0.17 0.10 -0.22 0.21 0.00 0.00 175.17 175.44 2iny s LEU 393 N -1.12 1.36 0.26 1.23 2.96 -1.26 -4.94 118.68 117.17 2iny s LEU 393 Ca 0.08 0.21 -0.09 0.00 -0.22 0.00 0.00 54.13 54.11 2iny s LEU 393 Cb -0.09 0.31 -0.07 0.00 0.50 0.00 0.00 46.19 46.84 2iny s LEU 393 CO 0.02 -0.07 0.57 -0.55 -1.32 0.00 0.00 176.35 175.00 2iny s SER 394 N 0.41 6.59 -0.29 3.68 0.15 -1.26 -4.36 113.70 118.62 2iny s SER 394 Ca -0.03 0.91 -0.29 0.00 0.70 0.00 0.00 55.95 57.24 2iny s SER 394 Cb -0.04 -2.22 -0.01 0.00 -1.71 0.00 0.00 66.02 62.03 2iny s SER 394 CO -0.02 -0.13 1.56 0.21 1.20 0.00 0.00 173.24 176.07 2iny s ASN 395 N -2.57 6.33 0.13 5.45 2.47 -1.26 -5.00 114.94 120.49 2iny s ASN 395 Ca 0.47 1.35 0.09 0.00 0.42 0.00 0.00 52.86 55.19 2iny s ASN 395 Cb -0.11 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 37.12 2iny s ASN 395 CO 0.23 -1.35 -0.16 -0.69 -3.72 0.00 0.00 177.10 171.42 2iny s VAL 396 N 5.42 2.94 0.20 -5.21 1.01 -1.26 -3.67 120.40 119.83 2iny s VAL 396 Ca 0.69 -1.52 0.02 0.00 0.00 0.00 0.00 61.98 61.16 2iny s VAL 396 Cb -0.21 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 2iny s VAL 396 CO 0.30 0.06 0.06 0.29 0.00 0.00 0.00 175.10 175.80 2iny n LYS 397 N 0.65 0.90 0.00 2.72 4.76 0.54 -4.97 118.16 122.75 2iny n LYS 397 Ca -0.14 -1.63 0.00 0.00 -2.87 0.00 0.00 58.31 53.66 2iny n LYS 397 Cb 0.53 0.80 0.00 0.00 -1.84 0.00 0.00 35.03 34.52 2iny n LYS 397 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2iny n ILE 398 N -0.46 0.00 -1.52 -0.18 -0.00 -1.26 0.14 119.36 116.08 2iny n ILE 398 Ca -0.04 0.00 -0.27 0.00 -0.00 0.00 0.00 62.75 62.44 2iny n ILE 398 Cb 0.29 -0.45 -0.16 0.00 -0.00 0.00 0.00 39.64 39.32 2iny n ILE 398 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2iny n TYR 399 N -1.78 0.52 -4.98 1.39 9.36 -1.26 -4.59 117.16 115.82 2iny n TYR 399 Ca 0.00 0.11 -0.31 0.00 3.32 0.00 0.00 57.90 61.02 2iny n TYR 399 Cb 0.30 -1.62 -0.14 0.00 -0.63 0.00 0.00 39.34 37.25 2iny n TYR 399 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 2iny s THR 400 N 6.46 2.36 -1.27 2.97 2.01 -1.26 -5.00 115.64 121.91 2iny s THR 400 Ca 1.22 -1.18 -0.14 0.00 0.31 0.00 0.00 61.69 61.90 2iny s THR 400 Cb -0.75 -1.91 0.13 0.00 0.01 0.00 0.00 72.50 69.98 2iny s THR 400 CO 0.43 0.46 1.67 -0.46 -0.69 0.00 0.00 174.62 176.03 2iny n ASN 401 N 2.01 5.00 0.00 3.53 6.94 -1.26 -3.42 115.26 128.05 2iny n ASN 401 Ca -0.16 -2.97 0.00 0.00 -0.02 0.00 0.00 54.58 51.42 2iny n ASN 401 Cb 0.52 -1.61 0.00 0.00 -2.36 0.00 0.00 39.78 36.33 2iny n ASN 401 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2iny n GLY 402 N 4.18 -0.79 2.86 4.83 0.00 -1.26 -5.14 105.19 109.88 2iny n GLY 402 Ca 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.27 2iny n GLY 402 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2iny s GLN 403 N 0.00 0.45 -0.07 1.61 2.00 -1.22 -5.08 119.66 117.36 2iny s GLN 403 Ca 0.00 -0.02 -0.03 0.00 -2.00 0.00 0.00 55.36 53.31 2iny s GLN 403 Cb 0.00 -0.55 -0.01 0.00 0.80 0.00 0.00 33.01 33.25 2iny s GLN 403 CO 0.00 -0.08 -0.06 1.96 -0.50 0.00 0.00 175.29 176.61 2iny h GLN 404 N 7.01 0.00 -3.58 1.67 1.08 -1.94 -3.39 115.11 115.95 2iny h GLN 404 Ca -0.39 0.00 -0.71 0.00 -1.45 0.00 0.00 58.65 56.10 2iny h GLN 404 Cb 1.15 0.00 -0.34 0.00 -0.05 0.00 0.00 27.48 28.24 2iny h GLN 404 CO 0.48 0.00 -0.29 0.16 -0.95 0.00 0.00 178.83 178.23 2iny s ASP 405 N -4.55 5.45 0.00 1.46 1.47 -1.26 -4.98 116.67 114.26 2iny s ASP 405 Ca -0.05 -2.89 0.00 0.00 1.18 0.00 0.00 52.55 50.79 2iny s ASP 405 Cb 0.01 -1.90 0.00 0.00 -0.34 0.00 0.00 42.92 40.68 2iny s ASP 405 CO 0.07 -0.38 0.00 1.17 0.68 0.00 0.00 175.17 176.71 2iny n LYS 406 N 3.47 0.00 -2.74 2.11 4.81 -1.26 -5.19 118.16 119.37 2iny n LYS 406 Ca 0.09 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.32 2iny n LYS 406 Cb 0.39 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.52 2iny n LYS 406 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2iny s GLY 407 N 0.00 1.78 -0.12 3.14 0.00 -1.26 -4.59 107.32 106.27 2iny s GLY 407 Ca 0.00 -1.77 -0.24 0.00 0.00 0.00 0.00 44.72 42.72 2iny s GLY 407 CO 0.00 -1.30 0.58 0.54 0.00 0.00 0.00 173.10 172.92 2iny s ASN 408 N -4.64 -0.56 0.11 1.64 2.20 0.38 -4.88 114.94 109.18 2iny s ASN 408 Ca 0.63 0.83 -0.13 0.00 -0.94 0.00 0.00 52.86 53.25 2iny s ASN 408 Cb -0.07 0.81 -0.06 0.00 -2.00 0.00 0.00 41.25 39.93 2iny s ASN 408 CO 0.41 -0.40 0.49 -0.69 -2.94 0.00 0.00 177.10 173.98 2iny s VAL 409 N -0.53 4.94 0.00 3.54 1.01 -1.26 -0.34 120.40 127.75 2iny s VAL 409 Ca -0.06 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.64 2iny s VAL 409 Cb -0.03 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2iny s VAL 409 CO 0.05 0.29 0.00 1.33 0.00 0.00 0.00 175.10 176.77 2iny n VAL 410 N 0.94 0.00 -3.62 2.92 0.24 -1.24 -4.93 118.33 112.64 2iny n VAL 410 Ca -0.07 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.94 2iny n VAL 410 Cb 0.52 -1.35 -0.15 0.00 -1.47 0.00 0.00 33.84 31.38 2iny n VAL 410 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2iny s ALA 411 N -2.71 0.96 0.00 2.33 0.00 -1.26 -4.88 121.76 116.20 2iny s ALA 411 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.71 2iny s ALA 411 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.67 2iny s ALA 411 CO 0.00 -1.61 0.00 0.41 0.00 0.00 0.00 175.76 174.56 2iny n GLY 412 N 5.10 0.06 3.04 0.00 0.00 -1.26 -5.12 105.19 107.00 2iny n GLY 412 Ca -0.05 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 2iny n GLY 412 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2iny s THR 413 N 0.00 1.38 -0.22 2.61 2.01 -1.26 -5.01 115.64 115.15 2iny s THR 413 Ca 0.00 -0.58 0.22 0.00 0.31 0.00 0.00 61.69 61.64 2iny s THR 413 Cb 0.00 -1.26 0.49 0.00 0.01 0.00 0.00 72.50 71.74 2iny s THR 413 CO 0.00 0.41 1.13 0.55 -0.69 0.00 0.00 174.62 176.02 2iny n VAL 414 N 4.09 1.19 -3.32 3.82 3.14 -1.26 -4.10 118.33 121.89 2iny n VAL 414 Ca -0.20 -2.72 0.03 0.00 -2.96 0.00 0.00 64.34 58.50 2iny n VAL 414 Cb 0.51 1.02 -0.05 0.00 -1.06 0.00 0.00 33.84 34.27 2iny n VAL 414 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2iny s SER 415 N -3.48 -0.09 0.03 6.55 0.15 -1.26 -4.92 113.70 110.67 2iny s SER 415 Ca 0.30 0.13 -0.18 0.00 0.70 0.00 0.00 55.95 56.91 2iny s SER 415 Cb 0.34 1.09 0.03 0.00 -1.71 0.00 0.00 66.02 65.77 2iny s SER 415 CO -0.06 -0.02 0.40 0.42 1.20 0.00 0.00 173.24 175.19 2iny s THR 416 N 1.79 0.05 -0.20 6.45 -4.23 -1.26 -4.98 115.64 113.26 2iny s THR 416 Ca -0.02 -0.45 -0.09 0.00 -1.18 0.00 0.00 61.69 59.96 2iny s THR 416 Cb -0.01 -0.89 -0.05 0.00 1.34 0.00 0.00 72.50 72.89 2iny s THR 416 CO -0.14 -0.25 0.10 -1.10 -0.54 0.00 0.00 174.62 172.69 2iny s GLN 417 N -2.16 4.08 0.00 3.99 -1.52 -1.26 -4.07 119.66 118.71 2iny s GLN 417 Ca -0.07 -0.28 0.00 0.00 -1.95 0.00 0.00 55.36 53.05 2iny s GLN 417 Cb -0.02 -3.34 0.00 0.00 -0.22 0.00 0.00 33.01 29.44 2iny s GLN 417 CO -0.00 0.26 0.00 1.28 -0.25 0.00 0.00 175.29 176.58 2iny n LEU 418 N 3.61 0.00 0.00 2.90 4.32 -1.20 -5.07 117.00 121.56 2iny n LEU 418 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 2iny n LEU 418 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 2iny n LEU 418 CO 0.36 0.00 0.00 -3.20 -1.22 0.00 0.00 177.39 173.33 2iny n ASN 419 N 0.00 0.00 -0.73 -1.43 5.15 -1.26 -3.60 115.26 113.39 2iny n ASN 419 Ca 0.00 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.02 2iny n ASN 419 Cb 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 39.78 39.38 2iny n ASN 419 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2iny n PHE 420 N -0.52 0.54 0.00 1.20 3.72 -1.26 -4.81 117.46 116.33 2iny n PHE 420 Ca 0.00 -0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 2iny n PHE 420 Cb 0.00 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 2iny n PHE 420 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2iny n GLY 421 N 0.62 4.33 0.00 1.37 0.00 -1.26 -5.18 105.19 105.07 2iny n GLY 421 Ca 0.09 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2iny n GLY 421 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2iny n THR 422 N 0.00 0.00 -3.68 2.61 -2.24 -1.26 -5.15 114.28 104.55 2iny n THR 422 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 2iny n THR 422 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 2iny n THR 422 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2iny s ILE 423 N 1.55 -0.13 0.42 2.28 -4.36 -1.26 -4.79 121.20 114.90 2iny s ILE 423 Ca 0.00 0.10 -0.19 0.00 -0.26 0.00 0.00 60.65 60.29 2iny s ILE 423 Cb 0.00 -0.66 -0.15 0.00 1.25 0.00 0.00 42.46 42.90 2iny s ILE 423 CO 0.00 0.04 0.01 -0.81 0.24 0.00 0.00 174.94 174.42 2iny n PRO 424 N 4.46 0.00 -3.74 0.37 -0.04 -1.26 -4.87 135.00 129.92 2iny n PRO 424 Ca -0.21 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.21 2iny n PRO 424 Cb 0.55 -0.95 -0.02 0.00 -0.04 0.00 0.00 33.50 33.04 2iny n PRO 424 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2iny s SER 425 N -0.95 -0.23 -0.27 3.54 0.01 -1.25 -3.28 113.70 111.28 2iny s SER 425 Ca 0.56 -0.39 -0.00 0.00 1.31 0.00 0.00 55.95 57.43 2iny s SER 425 Cb -0.56 0.53 0.15 0.00 0.21 0.00 0.00 66.02 66.35 2iny s SER 425 CO 0.61 -0.96 0.42 -0.31 0.41 0.00 0.00 173.24 173.40 2iny s TYR 426 N -3.41 -1.00 0.78 2.43 2.02 -1.22 -4.93 117.35 112.03 2iny s TYR 426 Ca 0.11 0.70 -0.15 0.00 -0.37 0.00 0.00 57.07 57.36 2iny s TYR 426 Cb -0.02 -0.00 0.02 0.00 -0.40 0.00 0.00 41.96 41.56 2iny s TYR 426 CO 0.01 -0.86 0.86 -1.91 -1.57 0.00 0.00 175.55 172.08 2iny n GLU 427 N 5.37 0.24 -3.21 -0.62 0.00 -1.26 -4.19 120.64 116.96 2iny n GLU 427 Ca -0.01 0.14 -0.00 0.00 0.00 0.00 0.00 57.16 57.28 2iny n GLU 427 Cb 0.50 -2.14 -0.02 0.00 0.00 0.00 0.00 31.44 29.78 2iny n GLU 427 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 2iny s ILE 428 N -2.02 -0.91 -0.41 6.31 1.10 -1.26 -5.04 121.20 118.96 2iny s ILE 428 Ca 0.69 -0.10 -0.03 0.00 -0.51 0.00 0.00 60.65 60.70 2iny s ILE 428 Cb -0.31 -0.51 -0.04 0.00 0.15 0.00 0.00 42.46 41.76 2iny s ILE 428 CO 0.55 -0.07 1.56 -0.67 -2.11 0.00 0.00 174.94 174.20 2iny n ASP 429 N 4.86 2.45 -0.01 4.50 -0.08 -1.26 -4.73 116.55 122.28 2iny n ASP 429 Ca 0.08 -2.11 -0.00 0.00 -1.51 0.00 0.00 54.79 51.25 2iny n ASP 429 Cb 0.54 -0.75 -0.00 0.00 2.34 0.00 0.00 41.12 43.25 2iny n ASP 429 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2iny n ILE 430 N 4.30 -0.01 -0.05 5.18 2.08 -1.26 -0.26 119.36 129.34 2iny n ILE 430 Ca 0.22 0.05 0.01 0.00 0.56 0.00 0.00 62.75 63.59 2iny n ILE 430 Cb 0.10 -0.06 0.02 0.00 -0.75 0.00 0.00 39.64 38.95 2iny n ILE 430 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2iny n ALA 431 N -3.85 0.04 -0.10 -1.39 0.00 -1.26 0.06 120.51 114.00 2iny n ALA 431 Ca 0.00 0.16 -0.23 0.00 0.00 0.00 0.00 53.44 53.37 2iny n ALA 431 Cb 0.01 -0.10 -0.12 0.00 0.00 0.00 0.00 19.45 19.24 2iny n ALA 431 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2iny n ALA 432 N -3.90 1.17 -0.22 0.00 0.00 0.64 -4.02 120.51 114.18 2iny n ALA 432 Ca 0.02 -0.92 0.01 0.00 0.00 0.00 0.00 53.44 52.55 2iny n ALA 432 Cb 0.08 -0.21 0.04 0.00 0.00 0.00 0.00 19.45 19.36 2iny n ALA 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2iny n ALA 433 N -3.51 -0.01 -0.08 0.00 0.00 0.11 0.38 120.51 117.39 2iny n ALA 433 Ca -0.44 0.61 -0.12 0.00 0.00 0.00 0.00 53.44 53.49 2iny n ALA 433 Cb 0.93 -0.30 0.01 0.00 0.00 0.00 0.00 19.45 20.09 2iny n ALA 433 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2iny h THR 434 N 0.00 1.28 0.64 0.00 1.35 -1.67 0.62 112.91 115.14 2iny h THR 434 Ca 0.23 -1.58 -0.03 0.00 -0.55 0.00 0.00 66.41 64.49 2iny h THR 434 Cb 0.38 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 2iny h THR 434 CO -0.59 0.52 -0.44 -0.09 -0.25 0.00 0.00 175.52 174.67 2iny h ARG 435 N 0.67 -0.99 -0.95 4.72 1.12 0.69 0.40 114.38 120.05 2iny h ARG 435 Ca 0.05 0.07 0.21 0.00 -1.11 0.00 0.00 59.98 59.20 2iny h ARG 435 Cb 0.97 0.22 -0.11 0.00 -0.01 0.00 0.00 29.97 31.04 2iny h ARG 435 CO 0.09 -0.66 0.52 -0.09 -3.11 0.00 0.00 179.97 176.72 2iny h ARG 436 N -1.03 0.58 -0.05 0.20 2.43 0.14 3.30 114.38 119.95 2iny h ARG 436 Ca -0.09 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2iny h ARG 436 Cb 0.84 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2iny h ARG 436 CO 0.06 0.38 0.00 0.09 -1.51 0.00 0.00 179.97 178.99 2iny n ASN 437 N -4.89 0.05 -0.03 -3.80 3.02 0.20 -0.54 115.26 109.27 2iny n ASN 437 Ca 0.23 -1.64 -0.05 0.00 -0.03 0.00 0.00 54.58 53.09 2iny n ASN 437 Cb 0.62 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.74 2iny n ASN 437 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2iny n PHE 438 N -0.47 0.00 -0.00 3.10 7.35 1.08 -4.40 117.46 124.12 2iny n PHE 438 Ca 0.00 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.52 2iny n PHE 438 Cb 0.01 -0.22 -0.12 0.00 0.35 0.00 0.00 39.48 39.50 2iny n PHE 438 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2iny h ILE 439 N -0.09 1.48 0.00 -2.13 2.04 -1.00 -1.85 117.51 115.96 2iny h ILE 439 Ca -0.14 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 63.61 2iny h ILE 439 Cb 1.18 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 2iny h ILE 439 CO -0.05 0.60 0.00 0.80 0.00 0.00 0.00 178.15 179.50 2iny n MET 440 N -4.29 0.00 0.00 2.37 1.56 0.30 -2.23 117.12 114.84 2iny n MET 440 Ca -0.11 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.32 2iny n MET 440 Cb 0.64 -0.99 0.00 0.00 2.15 0.00 0.00 33.22 35.02 2iny n MET 440 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 2iny n SER 441 N -0.25 0.00 -0.01 6.12 3.41 -1.16 -4.55 113.62 117.18 2iny n SER 441 Ca 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.05 2iny n SER 441 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2iny n SER 441 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2iny n ASN 442 N 0.00 3.91 0.00 4.04 3.02 -0.70 -4.74 115.26 120.79 2iny n ASN 442 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2iny n ASN 442 Cb 0.14 0.96 0.00 0.00 -0.61 0.00 0.00 39.78 40.27 2iny n ASN 442 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2iny n ILE 443 N -1.88 0.00 0.00 2.41 5.41 -1.19 -4.59 119.36 119.52 2iny n ILE 443 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 2iny n ILE 443 Cb 0.35 -0.85 0.00 0.00 -0.71 0.00 0.00 39.64 38.43 2iny n ILE 443 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2iny n ALA 444 N -2.58 0.00 0.00 -1.39 0.00 -0.98 -0.87 120.51 114.69 2iny n ALA 444 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2iny n ALA 444 Cb 0.35 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2iny n ALA 444 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2iny n ASP 445 N -0.39 0.00 -0.43 0.00 8.00 -1.26 -0.93 116.55 121.53 2iny n ASP 445 Ca 0.00 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.57 2iny n ASP 445 Cb 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.27 2iny n ASP 445 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2iny n TYR 446 N -0.42 0.00 -3.29 1.24 4.02 -0.05 -5.00 117.16 113.65 2iny n TYR 446 Ca 0.00 -1.23 -0.21 0.00 -0.01 0.00 0.00 57.90 56.45 2iny n TYR 446 Cb 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 2iny n TYR 446 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2iny s LEU 447 N -2.89 3.86 0.11 7.72 1.43 -0.11 -4.92 118.68 123.88 2iny s LEU 447 Ca 0.35 0.09 -0.31 0.00 -1.03 0.00 0.00 54.13 53.22 2iny s LEU 447 Cb 0.33 -2.98 -0.08 0.00 0.03 0.00 0.00 46.19 43.48 2iny s LEU 447 CO -0.03 -0.51 1.45 -2.16 0.23 0.00 0.00 176.35 175.33 2iny s PRO 448 N -4.33 4.29 0.00 1.29 0.04 -1.26 -4.84 135.00 130.18 2iny s PRO 448 Ca 0.45 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.63 2iny s PRO 448 Cb -0.10 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.16 2iny s PRO 448 CO 0.34 -0.51 0.27 -0.40 0.04 0.00 0.00 177.00 176.74 2iny n ASP 449 N 4.22 0.00 -0.82 6.66 5.75 -1.26 0.29 116.55 131.39 2iny n ASP 449 Ca 0.12 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.98 2iny n ASP 449 Cb 0.41 0.00 0.20 0.00 -1.03 0.00 0.00 41.12 40.70 2iny n ASP 449 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2iny n LYS 450 N -0.74 2.03 -2.71 0.11 4.76 -1.26 -3.79 118.16 116.56 2iny n LYS 450 Ca 0.00 -1.60 -0.03 0.00 -2.87 0.00 0.00 58.31 53.82 2iny n LYS 450 Cb 0.00 -1.34 0.11 0.00 -1.84 0.00 0.00 35.03 31.95 2iny n LYS 450 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 2iny n TYR 451 N 0.80 -1.35 -2.46 2.13 9.36 0.15 -5.09 117.16 120.69 2iny n TYR 451 Ca 0.15 -1.88 0.00 0.00 3.32 0.00 0.00 57.90 59.49 2iny n TYR 451 Cb 0.37 1.14 0.00 0.00 -0.63 0.00 0.00 39.34 40.23 2iny n TYR 451 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2iny n LYS 452 N -1.17 0.77 0.00 2.98 5.02 -1.25 -3.94 118.16 120.57 2iny n LYS 452 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2iny n LYS 452 Cb 0.86 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.87 2iny n LYS 452 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2iny n PHE 453 N 0.00 0.00 -1.16 2.13 -0.00 0.98 -4.88 117.46 114.53 2iny n PHE 453 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.11 2iny n PHE 453 Cb 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 39.48 39.60 2iny n PHE 453 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2iny n SER 454 N 0.00 0.65 -4.90 -2.13 2.88 -1.26 0.20 113.62 109.06 2iny n SER 454 Ca 0.00 0.59 -0.34 0.00 -1.33 0.00 0.00 58.87 57.80 2iny n SER 454 Cb 0.00 -1.46 -0.05 0.00 -0.75 0.00 0.00 64.21 61.95 2iny n SER 454 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2iny s ILE 455 N -2.05 5.40 -0.68 2.46 -0.00 -1.23 -4.65 121.20 120.45 2iny s ILE 455 Ca 0.72 -0.05 -0.27 0.00 -0.00 0.00 0.00 60.65 61.06 2iny s ILE 455 Cb -0.30 -3.54 0.02 0.00 -0.00 0.00 0.00 42.46 38.63 2iny s ILE 455 CO 0.52 0.35 1.40 -0.13 -0.00 0.00 0.00 174.94 177.07 2iny s ARG 456 N -1.85 3.13 0.00 0.37 1.81 -1.26 -3.61 118.95 117.54 2iny s ARG 456 Ca 0.27 0.06 0.00 0.00 -1.72 0.00 0.00 55.73 54.34 2iny s ARG 456 Cb -0.13 -4.20 0.00 0.00 -0.45 0.00 0.00 34.95 30.18 2iny s ARG 456 CO 0.17 -2.19 0.00 0.41 -0.68 0.00 0.00 175.30 173.02 2iny n GLY 457 N 5.39 0.60 3.85 -3.53 0.00 -1.26 -4.51 105.19 105.73 2iny n GLY 457 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2iny n GLY 457 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2iny s PHE 458 N -0.60 3.01 0.00 1.61 -0.12 -1.24 -4.58 117.98 116.07 2iny s PHE 458 Ca 0.00 1.02 0.00 0.00 -0.05 0.00 0.00 56.93 57.90 2iny s PHE 458 Cb 0.00 -3.19 0.00 0.00 -0.63 0.00 0.00 43.02 39.20 2iny s PHE 458 CO 0.00 -1.60 0.00 -0.25 -0.05 0.00 0.00 175.22 173.32 2iny n ASP 459 N -3.28 0.00 -0.57 1.98 9.92 -1.26 -4.86 116.55 118.47 2iny n ASP 459 Ca 0.07 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.40 2iny n ASP 459 Cb 0.58 -0.21 0.18 0.00 -0.64 0.00 0.00 41.12 41.02 2iny n ASP 459 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2iny n PRO 460 N -2.07 2.63 -1.89 -0.24 -0.04 -1.26 -4.94 135.00 127.19 2iny n PRO 460 Ca 0.00 -2.43 -0.40 0.00 -0.04 0.00 0.00 63.50 60.63 2iny n PRO 460 Cb 0.00 -1.53 0.01 0.00 -0.04 0.00 0.00 33.50 31.93 2iny n PRO 460 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2iny s VAL 461 N -2.14 2.26 0.00 0.52 0.11 -1.26 -2.17 120.40 117.72 2iny s VAL 461 Ca 0.30 0.24 0.00 0.00 -2.93 0.00 0.00 61.98 59.59 2iny s VAL 461 Cb 0.23 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.94 2iny s VAL 461 CO 0.09 0.04 0.00 0.41 -3.33 0.00 0.00 175.10 172.31 2iny n THR 462 N 0.07 0.00 -0.34 5.04 -1.04 -1.25 -4.70 114.28 112.05 2iny n THR 462 Ca 0.04 0.00 0.22 0.00 -2.04 0.00 0.00 64.05 62.26 2iny n THR 462 Cb 0.42 0.00 0.46 0.00 -1.82 0.00 0.00 70.33 69.39 2iny n THR 462 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2iny h ASP 463 N 0.00 0.55 0.00 8.00 3.58 -1.80 -2.74 116.42 124.01 2iny h ASP 463 Ca 0.00 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2iny h ASP 463 Cb 0.00 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2iny h ASP 463 CO 0.00 0.03 0.00 0.59 -2.88 0.00 0.00 179.24 176.98 2iny n ASN 464 N -4.84 0.00 -4.92 2.28 4.13 -1.26 -5.10 115.26 105.55 2iny n ASN 464 Ca 0.28 -1.00 -0.23 0.00 1.68 0.00 0.00 54.58 55.32 2iny n ASN 464 Cb 0.88 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 39.09 2iny n ASN 464 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2iny s ILE 465 N 0.00 5.04 0.20 2.41 1.09 -1.04 -5.11 121.20 123.79 2iny s ILE 465 Ca 0.00 -1.02 0.02 0.00 -1.10 0.00 0.00 60.65 58.55 2iny s ILE 465 Cb 0.00 -3.69 -0.01 0.00 -1.06 0.00 0.00 42.46 37.70 2iny s ILE 465 CO 0.00 -0.27 0.07 -0.90 -0.10 0.00 0.00 174.94 173.75 2iny n ASP 466 N -1.09 1.07 0.00 3.58 5.75 -1.26 -3.96 116.55 120.64 2iny n ASP 466 Ca -0.08 -2.06 0.09 0.00 -0.01 0.00 0.00 54.79 52.72 2iny n ASP 466 Cb 0.56 0.51 0.51 0.00 -1.03 0.00 0.00 41.12 41.67 2iny n ASP 466 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 2iny n PRO 467 N -0.45 0.79 -0.03 0.11 -0.02 -1.26 -2.13 135.00 132.02 2iny n PRO 467 Ca -0.03 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.49 2iny n PRO 467 Cb 0.30 -1.34 0.05 0.00 -0.02 0.00 0.00 33.50 32.49 2iny n PRO 467 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2iny n THR 468 N -0.84 0.22 -4.74 3.45 -1.04 -1.26 -4.47 114.28 105.60 2iny n THR 468 Ca 0.13 -0.61 -0.33 0.00 -2.04 0.00 0.00 64.05 61.20 2iny n THR 468 Cb 0.06 1.02 -0.13 0.00 -1.82 0.00 0.00 70.33 69.46 2iny n THR 468 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2iny s THR 469 N -0.74 3.23 0.00 12.58 -4.23 -0.91 -4.40 115.64 121.17 2iny s THR 469 Ca 0.11 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 2iny s THR 469 Cb 0.07 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.57 2iny s THR 469 CO 0.10 0.54 0.27 0.00 -0.54 0.00 0.00 174.62 174.99 2iny n TYR 470 N 3.10 0.00 0.00 3.99 4.19 -1.26 -1.19 117.16 126.00 2iny n TYR 470 Ca -0.18 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.03 2iny n TYR 470 Cb 0.53 -0.08 0.00 0.00 0.49 0.00 0.00 39.34 40.28 2iny n TYR 470 CO 0.00 0.00 0.00 1.19 0.91 0.00 0.00 176.86 178.96 2iny n PHE 471 N -1.40 0.00 -0.06 2.98 3.01 -1.26 0.30 117.46 121.03 2iny n PHE 471 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 2iny n PHE 471 Cb 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.39 2iny n PHE 471 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 2iny h TYR 472 N 0.00 -1.26 -0.41 1.38 5.03 -1.70 -0.25 116.97 119.76 2iny h TYR 472 Ca 0.00 0.06 0.07 0.00 2.58 0.00 0.00 58.73 61.44 2iny h TYR 472 Cb 0.00 0.58 -0.07 0.00 1.55 0.00 0.00 36.73 38.79 2iny h TYR 472 CO 0.00 -0.39 -0.13 -0.12 -1.32 0.00 0.00 178.16 176.20 2iny n MET 473 N -4.71 -0.07 -2.67 1.82 1.56 0.11 0.83 117.12 113.99 2iny n MET 473 Ca -0.04 0.64 -0.30 0.00 -0.27 0.00 0.00 57.70 57.73 2iny n MET 473 Cb 0.27 -0.95 -0.01 0.00 2.15 0.00 0.00 33.22 34.68 2iny n MET 473 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 2iny n ASN 474 N -4.64 5.19 0.00 6.12 5.15 0.87 -4.49 115.26 123.46 2iny n ASN 474 Ca 0.05 -3.71 0.00 0.00 -0.60 0.00 0.00 54.58 50.32 2iny n ASN 474 Cb 0.18 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 38.78 2iny n ASN 474 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2iny n ARG 475 N -0.32 0.00 -3.51 1.20 1.74 0.24 -4.76 116.66 111.25 2iny n ARG 475 Ca 0.37 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 57.05 2iny n ARG 475 Cb 0.44 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.78 2iny n ARG 475 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2iny s ARG 476 N 0.00 3.46 0.65 5.56 3.52 -0.83 -3.55 118.95 127.76 2iny s ARG 476 Ca 0.00 -0.66 -0.17 0.00 -0.13 0.00 0.00 55.73 54.77 2iny s ARG 476 Cb 0.00 -3.82 -0.01 0.00 -1.56 0.00 0.00 34.95 29.56 2iny s ARG 476 CO 0.00 -0.48 1.22 0.54 -0.81 0.00 0.00 175.30 175.77 2iny s VAL 477 N 1.74 2.45 0.00 7.11 0.11 0.52 -4.46 120.40 127.87 2iny s VAL 477 Ca 0.06 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 2iny s VAL 477 Cb -0.17 -3.00 0.00 0.00 -1.53 0.00 0.00 36.38 31.67 2iny s VAL 477 CO 0.11 -0.08 0.00 -0.81 -3.33 0.00 0.00 175.10 170.99 2iny n PRO 478 N -2.01 3.16 -3.58 1.54 -0.04 -1.26 0.33 135.00 133.13 2iny n PRO 478 Ca 0.14 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.33 2iny n PRO 478 Cb 0.50 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.86 2iny n PRO 478 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2iny n LEU 479 N 0.00 3.30 -0.00 1.53 4.77 -1.25 -4.47 117.00 120.88 2iny n LEU 479 Ca 0.00 -5.32 -0.00 0.00 -0.03 0.00 0.00 56.01 50.66 2iny n LEU 479 Cb 0.00 -0.63 -0.00 0.00 -2.33 0.00 0.00 43.42 40.46 2iny n LEU 479 CO 0.00 1.95 0.02 0.35 -1.33 0.00 0.00 177.39 178.38 2iny n THR 480 N 1.29 -0.01 0.00 -5.08 -2.24 -1.26 0.26 114.28 107.24 2iny n THR 480 Ca 0.26 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 62.11 2iny n THR 480 Cb 0.39 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 2iny n THR 480 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2iny n ASN 481 N -2.49 0.00 -0.03 3.42 0.23 -1.26 -2.52 115.26 112.61 2iny n ASN 481 Ca 0.00 0.01 -0.15 0.00 -0.53 0.00 0.00 54.58 53.91 2iny n ASN 481 Cb 0.00 -0.01 -0.14 0.00 -2.08 0.00 0.00 39.78 37.55 2iny n ASN 481 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2iny n VAL 482 N -0.74 1.65 -1.52 3.53 3.14 0.71 -4.30 118.33 120.79 2iny n VAL 482 Ca 0.00 -0.73 0.00 0.00 -2.96 0.00 0.00 64.34 60.65 2iny n VAL 482 Cb 0.01 -1.30 0.00 0.00 -1.06 0.00 0.00 33.84 31.50 2iny n VAL 482 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2iny n VAL 483 N -3.21 0.00 -0.90 1.55 0.24 -1.05 -5.07 118.33 109.89 2iny n VAL 483 Ca -0.27 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.72 2iny n VAL 483 Cb 1.06 0.72 0.15 0.00 -1.47 0.00 0.00 33.84 34.30 2iny n VAL 483 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2iny s ASP 484 N -0.49 3.18 0.00 -1.34 -1.08 -1.24 -4.78 116.67 110.92 2iny s ASP 484 Ca 0.00 1.91 0.00 0.00 -0.52 0.00 0.00 52.55 53.94 2iny s ASP 484 Cb 0.00 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 2iny s ASP 484 CO 0.00 -2.89 0.00 0.18 0.52 0.00 0.00 175.17 172.98 2iny n LEU 485 N -4.08 0.00 -4.37 -1.34 4.77 -1.26 -2.17 117.00 108.55 2iny n LEU 485 Ca 0.09 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.62 2iny n LEU 485 Cb 0.53 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 2iny n LEU 485 CO 0.52 0.00 0.87 0.12 -1.33 0.00 0.00 177.39 177.57 2iny s PHE 486 N -2.48 3.92 -0.47 -1.77 5.36 -1.26 -4.71 117.98 116.58 2iny s PHE 486 Ca 0.00 -2.34 0.03 0.00 -0.96 0.00 0.00 56.93 53.66 2iny s PHE 486 Cb 0.00 -3.98 0.16 0.00 -0.34 0.00 0.00 43.02 38.87 2iny s PHE 486 CO 0.00 -1.10 0.34 0.99 -1.46 0.00 0.00 175.22 173.99 2iny s THR 487 N -0.07 1.01 0.00 0.12 2.01 -0.92 -4.74 115.64 113.04 2iny s THR 487 Ca 0.31 -2.86 0.00 0.00 0.31 0.00 0.00 61.69 59.45 2iny s THR 487 Cb -0.08 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 70.74 2iny s THR 487 CO -0.07 -1.11 0.00 0.59 -0.69 0.00 0.00 174.62 173.35 2iny n ASN 488 N 2.91 0.00 0.00 3.53 5.03 -1.26 -4.88 115.26 120.59 2iny n ASN 488 Ca 0.22 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.67 2iny n ASN 488 Cb 0.42 -0.83 0.00 0.00 -1.02 0.00 0.00 39.78 38.35 2iny n ASN 488 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 2iny n ILE 489 N -2.00 0.00 -0.29 2.41 -0.00 -1.26 -2.45 119.36 115.77 2iny n ILE 489 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2iny n ILE 489 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 2iny n ILE 489 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2iny n GLY 490 N 0.00 1.28 3.22 3.28 0.00 0.32 -5.02 105.19 108.27 2iny n GLY 490 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2iny n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iny s ALA 491 N -2.87 1.68 -0.61 4.61 0.00 -1.03 -4.93 121.76 118.61 2iny s ALA 491 Ca 0.00 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 50.77 2iny s ALA 491 Cb 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.76 2iny s ALA 491 CO 0.00 0.40 1.17 1.03 0.00 0.00 0.00 175.76 178.36 2iny s ARG 492 N -0.70 3.42 -0.33 0.00 1.81 -1.26 -3.90 118.95 117.99 2iny s ARG 492 Ca 0.07 0.07 0.16 0.00 -1.72 0.00 0.00 55.73 54.32 2iny s ARG 492 Cb -0.08 -4.05 0.45 0.00 -0.45 0.00 0.00 34.95 30.81 2iny s ARG 492 CO 0.00 -1.75 1.06 1.87 -0.68 0.00 0.00 175.30 175.80 2iny n TRP 493 N 8.48 0.29 -0.00 -0.53 -0.00 -0.67 -4.21 117.44 120.80 2iny n TRP 493 Ca 0.06 -2.54 -0.00 0.00 -0.00 0.00 0.00 57.50 55.02 2iny n TRP 493 Cb 0.49 0.11 -0.00 0.00 -0.00 0.00 0.00 31.31 31.90 2iny n TRP 493 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 2iny n SER 494 N -0.24 0.00 0.00 5.87 3.41 -1.24 -4.07 113.62 117.36 2iny n SER 494 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2iny n SER 494 Cb 0.83 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 2iny n SER 494 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2iny n VAL 495 N 0.01 0.00 -0.04 -3.33 0.31 -1.26 -4.54 118.33 109.47 2iny n VAL 495 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 2iny n VAL 495 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 2iny n VAL 495 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2iny h ASP 496 N 0.00 -0.95 0.00 4.52 3.32 -1.99 0.20 116.42 121.52 2iny h ASP 496 Ca 0.00 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2iny h ASP 496 Cb 0.00 0.43 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2iny h ASP 496 CO 0.00 -0.32 0.00 0.00 -1.72 0.00 0.00 179.24 177.20 2iny n GLN 497 N -5.40 0.28 0.00 3.56 6.02 -1.26 -2.02 117.38 118.56 2iny n GLN 497 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2iny n GLN 497 Cb 0.32 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 30.22 2iny n GLN 497 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2iny n MET 498 N 1.57 1.18 -0.33 -1.09 2.81 0.66 -4.80 117.12 117.11 2iny n MET 498 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.94 2iny n MET 498 Cb 0.14 -0.10 0.13 0.00 -0.71 0.00 0.00 33.22 32.69 2iny n MET 498 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2iny h ASP 499 N 0.00 -0.83 0.00 7.83 5.19 -1.03 -2.76 116.42 124.82 2iny h ASP 499 Ca 0.00 0.28 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 2iny h ASP 499 Cb 0.00 0.56 0.00 0.00 0.18 0.00 0.00 39.33 40.07 2iny h ASP 499 CO 0.00 -0.30 0.00 -0.46 -3.12 0.00 0.00 179.24 175.36 2iny n ASN 500 N -5.58 0.00 -4.66 6.45 0.23 -1.26 -4.89 115.26 105.54 2iny n ASN 500 Ca 0.15 -1.41 -0.28 0.00 -0.53 0.00 0.00 54.58 52.51 2iny n ASN 500 Cb 0.48 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.10 2iny n ASN 500 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2iny s VAL 501 N -2.00 3.78 -0.54 3.53 1.01 -1.04 -4.98 120.40 120.15 2iny s VAL 501 Ca 0.12 -1.28 -0.26 0.00 0.00 0.00 0.00 61.98 60.56 2iny s VAL 501 Cb 0.06 -2.86 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 2iny s VAL 501 CO 0.09 -0.02 2.30 0.21 0.00 0.00 0.00 175.10 177.68 2iny s ASN 502 N -2.70 4.55 0.06 3.32 3.84 -1.26 -4.84 114.94 117.91 2iny s ASN 502 Ca 0.26 0.83 -0.35 0.00 0.21 0.00 0.00 52.86 53.82 2iny s ASN 502 Cb -0.10 -2.51 -0.19 0.00 -0.55 0.00 0.00 41.25 37.90 2iny s ASN 502 CO 0.18 -2.87 1.52 1.55 -2.79 0.00 0.00 177.10 174.69 2iny h PRO 503 N 18.09 -1.15 -0.32 0.43 0.13 -1.92 -2.39 132.00 144.87 2iny h PRO 503 Ca -0.22 0.08 0.07 0.00 -0.87 0.00 0.00 66.00 65.06 2iny h PRO 503 Cb 1.22 0.26 -0.06 0.00 0.13 0.00 0.00 31.00 32.55 2iny h PRO 503 CO 1.16 -0.77 -0.06 1.19 -0.23 0.00 0.00 178.00 179.30 2iny n PHE 504 N -5.36 0.14 0.27 1.56 3.01 -1.26 0.33 117.46 116.14 2iny n PHE 504 Ca -0.15 0.39 0.00 0.00 1.01 0.00 0.00 57.45 58.70 2iny n PHE 504 Cb 0.48 -0.70 0.00 0.00 -0.01 0.00 0.00 39.48 39.26 2iny n PHE 504 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2iny n ASN 505 N -4.45 0.72 -4.40 4.37 3.02 -0.90 -4.62 115.26 109.00 2iny n ASN 505 Ca 0.06 -0.54 -0.27 0.00 -0.03 0.00 0.00 54.58 53.79 2iny n ASN 505 Cb 0.18 -0.14 0.15 0.00 -0.61 0.00 0.00 39.78 39.36 2iny n ASN 505 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2iny s HIS 506 N 0.43 1.64 -0.05 3.10 2.46 0.98 -4.40 115.29 119.45 2iny s HIS 506 Ca 0.00 0.07 0.09 0.00 0.47 0.00 0.00 55.06 55.69 2iny s HIS 506 Cb 0.00 -3.60 -0.24 0.00 -0.13 0.00 0.00 32.58 28.61 2iny s HIS 506 CO 0.00 -2.21 0.62 -2.39 -2.47 0.00 0.00 174.74 168.29 2iny n HIS 507 N -3.34 1.06 0.42 3.88 1.44 -1.26 -3.90 115.22 113.52 2iny n HIS 507 Ca 0.15 0.35 0.00 0.00 -2.01 0.00 0.00 57.72 56.21 2iny n HIS 507 Cb 0.60 -1.18 0.11 0.00 0.12 0.00 0.00 29.99 29.63 2iny n HIS 507 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 2iny n ARG 508 N -3.13 2.02 -1.98 -1.40 0.63 -1.26 -4.68 116.66 106.86 2iny n ARG 508 Ca -0.19 -0.93 -0.33 0.00 -0.92 0.00 0.00 57.85 55.48 2iny n ARG 508 Cb 1.05 -1.66 -0.04 0.00 0.45 0.00 0.00 32.46 32.26 2iny n ARG 508 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2iny s ASN 509 N -0.13 5.08 0.61 6.15 3.84 -1.22 -4.26 114.94 125.02 2iny s ASN 509 Ca 0.16 0.00 0.28 0.00 0.21 0.00 0.00 52.86 53.52 2iny s ASN 509 Cb 0.13 -2.54 1.49 0.00 -0.55 0.00 0.00 41.25 39.77 2iny s ASN 509 CO 0.04 -2.64 1.88 -0.50 -2.79 0.00 0.00 177.10 173.10 2iny h TRP 510 N 13.84 0.00 0.41 0.43 6.55 -1.67 0.50 115.95 136.00 2iny h TRP 510 Ca -0.11 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.71 2iny h TRP 510 Cb 1.10 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.41 2iny h TRP 510 CO 1.11 0.00 -0.19 0.78 -1.05 0.00 0.00 178.44 179.08 2iny h GLY 511 N 0.00 -0.57 2.00 1.49 0.00 -1.78 0.47 103.07 104.68 2iny h GLY 511 Ca 0.15 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 2iny h GLY 511 CO -0.00 -0.21 -0.04 -2.00 0.00 0.00 0.00 176.54 174.29 2iny h LEU 512 N -1.08 0.00 -1.12 3.11 5.85 -1.38 2.27 115.31 122.96 2iny h LEU 512 Ca -0.06 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 2iny h LEU 512 Cb 0.49 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2iny h LEU 512 CO 0.09 0.04 -0.37 0.50 -0.34 0.00 0.00 178.44 178.36 2iny h LYS 513 N 0.00 0.00 0.00 1.25 3.64 0.06 -3.02 116.57 118.51 2iny h LYS 513 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2iny h LYS 513 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2iny h LYS 513 CO 0.01 0.37 -0.03 -0.92 -2.27 0.00 0.00 179.45 176.61 2iny h TYR 514 N 0.00 0.00 -0.08 1.91 3.20 0.58 -3.36 116.97 119.22 2iny h TYR 514 Ca -0.00 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.89 2iny h TYR 514 Cb 0.79 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 2iny h TYR 514 CO 0.00 0.00 0.46 0.00 -1.64 0.00 0.00 178.16 176.98 2iny h ARG 515 N -0.43 0.00 -2.42 1.82 3.08 -0.11 -2.71 114.38 113.60 2iny h ARG 515 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 2iny h ARG 515 Cb 0.03 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 29.96 2iny h ARG 515 CO 0.00 0.00 1.74 0.45 -1.07 0.00 0.00 179.97 181.09 2iny n SER 516 N -2.95 7.47 0.00 7.04 2.88 -1.14 -3.89 113.62 123.03 2iny n SER 516 Ca 0.00 -3.09 0.00 0.00 -1.33 0.00 0.00 58.87 54.45 2iny n SER 516 Cb 0.53 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 2iny n SER 516 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2iny n GLN 517 N 1.62 0.00 0.00 -1.46 1.13 -1.02 -4.76 117.38 112.89 2iny n GLN 517 Ca 0.58 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.64 2iny n GLN 517 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.73 2iny n GLN 517 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2iny n LEU 518 N -0.47 0.11 0.07 1.08 4.32 -1.25 -1.63 117.00 119.23 2iny n LEU 518 Ca 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 2iny n LEU 518 Cb 0.00 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 2iny n LEU 518 CO 0.00 0.03 0.00 0.18 -1.22 0.00 0.00 177.39 176.38 2iny n LEU 519 N -0.01 0.76 0.00 2.23 4.32 -1.26 -5.05 117.00 118.00 2iny n LEU 519 Ca 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 2iny n LEU 519 Cb 0.03 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.68 2iny n LEU 519 CO 0.00 -0.75 0.00 0.61 -1.22 0.00 0.00 177.39 176.03 2iny n GLY 520 N 3.03 3.81 0.57 -0.72 0.00 -0.64 -4.86 105.19 106.38 2iny n GLY 520 Ca 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 46.02 45.18 2iny n GLY 520 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2iny n ASN 521 N 0.00 1.59 -4.40 1.61 6.94 -1.26 -4.70 115.26 115.04 2iny n ASN 521 Ca 0.00 -2.08 -0.33 0.00 -0.02 0.00 0.00 54.58 52.15 2iny n ASN 521 Cb 0.00 -0.27 -0.14 0.00 -2.36 0.00 0.00 39.78 37.01 2iny n ASN 521 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2iny s SER 522 N -0.79 4.17 -1.12 0.53 1.04 -1.26 -4.67 113.70 111.60 2iny s SER 522 Ca 0.16 -0.28 -0.25 0.00 0.48 0.00 0.00 55.95 56.06 2iny s SER 522 Cb 0.09 -1.61 -0.16 0.00 0.10 0.00 0.00 66.02 64.45 2iny s SER 522 CO 0.09 0.18 2.00 -2.11 0.98 0.00 0.00 173.24 174.38 2iny n ARG 523 N 3.46 0.96 0.00 4.02 1.85 -1.26 -4.35 116.66 121.34 2iny n ARG 523 Ca -0.18 -2.12 0.00 0.00 -1.00 0.00 0.00 57.85 54.55 2iny n ARG 523 Cb 0.53 -3.78 0.00 0.00 -1.05 0.00 0.00 32.46 28.15 2iny n ARG 523 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 2iny n TYR 524 N 16.45 0.00 -3.63 2.89 9.36 -1.24 -2.57 117.16 138.42 2iny n TYR 524 Ca 0.43 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.49 2iny n TYR 524 Cb 0.46 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 39.03 2iny n TYR 524 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2iny n ARG 526 N 5.33 2.69 0.00 0.00 3.00 -1.26 -2.92 116.66 123.50 2iny n ARG 526 Ca -0.05 -2.70 0.00 0.00 -0.00 0.00 0.00 57.85 55.10 2iny n ARG 526 Cb 0.50 -3.34 0.00 0.00 0.00 0.00 0.00 32.46 29.62 2iny n ARG 526 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 2iny n PHE 527 N 7.57 -2.84 0.00 -0.14 1.16 0.14 -4.85 117.46 118.50 2iny n PHE 527 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 56.08 2iny n PHE 527 Cb 0.42 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.29 2iny n PHE 527 CO 0.00 0.00 0.00 1.58 -1.87 0.00 0.00 176.76 176.47 2iny n HIS 528 N -2.01 0.00 -3.86 2.97 -0.00 -1.26 -2.27 115.22 108.79 2iny n HIS 528 Ca 0.00 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.10 2iny n HIS 528 Cb 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 29.86 2iny n HIS 528 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 2iny s ILE 529 N -0.93 0.00 -0.36 3.57 -4.36 -1.14 -4.82 121.20 113.16 2iny s ILE 529 Ca 0.00 -1.04 0.01 0.00 -0.26 0.00 0.00 60.65 59.37 2iny s ILE 529 Cb 0.00 -2.29 0.11 0.00 1.25 0.00 0.00 42.46 41.53 2iny s ILE 529 CO 0.00 0.00 0.12 -1.10 0.24 0.00 0.00 174.94 174.20 2iny s GLN 530 N -3.42 1.12 -0.17 0.37 1.11 -1.26 0.68 119.66 118.08 2iny s GLN 530 Ca 0.13 -1.57 -0.11 0.00 0.01 0.00 0.00 55.36 53.82 2iny s GLN 530 Cb -0.05 -2.48 -0.05 0.00 -1.01 0.00 0.00 33.01 29.42 2iny s GLN 530 CO 0.09 -1.01 0.20 0.08 0.01 0.00 0.00 175.29 174.65 2iny s VAL 531 N 1.06 5.37 0.22 1.09 1.01 -0.65 -4.71 120.40 123.79 2iny s VAL 531 Ca 0.12 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.46 2iny s VAL 531 Cb -0.20 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.69 2iny s VAL 531 CO -0.14 0.44 0.31 -0.81 0.00 0.00 0.00 175.10 174.90 2iny n PRO 532 N 3.37 0.63 -4.32 2.72 -0.04 -1.26 0.21 135.00 136.31 2iny n PRO 532 Ca -0.15 -1.01 -0.29 0.00 -0.04 0.00 0.00 63.50 62.01 2iny n PRO 532 Cb 0.52 -0.15 -0.05 0.00 -0.04 0.00 0.00 33.50 33.79 2iny n PRO 532 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2iny s GLN 533 N -3.10 2.22 0.00 0.54 0.00 -1.26 -4.81 119.66 113.25 2iny s GLN 533 Ca 0.22 -2.19 0.00 0.00 -0.00 0.00 0.00 55.36 53.39 2iny s GLN 533 Cb -0.01 -1.82 0.00 0.00 0.00 0.00 0.00 33.01 31.18 2iny s GLN 533 CO 0.14 -0.45 0.05 0.36 0.00 0.00 0.00 175.29 175.39 2iny n LYS 534 N -1.48 0.00 -1.16 9.60 0.00 -1.26 -4.97 118.16 118.89 2iny n LYS 534 Ca -0.10 -0.05 -0.53 0.00 -0.00 0.00 0.00 58.31 57.63 2iny n LYS 534 Cb 0.66 -0.16 -0.11 0.00 -0.00 0.00 0.00 35.03 35.41 2iny n LYS 534 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2iny n TYR 535 N 0.00 1.00 -0.21 5.58 9.36 -1.26 -4.68 117.16 126.95 2iny n TYR 535 Ca 0.00 0.66 0.18 0.00 3.32 0.00 0.00 57.90 62.06 2iny n TYR 535 Cb 0.33 -2.09 0.29 0.00 -0.63 0.00 0.00 39.34 37.25 2iny n TYR 535 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2iny n PHE 536 N 7.07 0.29 -1.27 2.98 -0.00 -1.26 -2.04 117.46 123.23 2iny n PHE 536 Ca 0.51 0.29 -0.22 0.00 -0.00 0.00 0.00 57.45 58.03 2iny n PHE 536 Cb -0.03 -0.64 0.18 0.00 -0.00 0.00 0.00 39.48 38.99 2iny n PHE 536 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2iny n ALA 537 N -2.56 5.45 0.00 3.13 0.00 -1.26 -4.65 120.51 120.62 2iny n ALA 537 Ca 0.17 -2.95 0.00 0.00 0.00 0.00 0.00 53.44 50.66 2iny n ALA 537 Cb 0.68 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2iny n ALA 537 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2iny n ILE 538 N -1.14 0.00 -0.15 0.00 -5.35 -0.87 -4.88 119.36 106.98 2iny n ILE 538 Ca 0.56 0.00 0.16 0.00 -0.27 0.00 0.00 62.75 63.20 2iny n ILE 538 Cb 1.57 0.00 0.25 0.00 -1.74 0.00 0.00 39.64 39.71 2iny n ILE 538 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2iny n LYS 539 N -0.91 0.01 -0.07 6.28 0.00 -1.25 0.50 118.16 122.71 2iny n LYS 539 Ca 0.00 0.52 0.08 0.00 0.00 0.00 0.00 58.31 58.90 2iny n LYS 539 Cb 0.00 -1.28 0.11 0.00 0.00 0.00 0.00 35.03 33.86 2iny n LYS 539 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2iny n ASN 540 N -2.37 2.20 -4.78 3.14 3.02 -1.26 -3.41 115.26 111.79 2iny n ASN 540 Ca 0.13 -2.82 -0.37 0.00 -0.03 0.00 0.00 54.58 51.50 2iny n ASN 540 Cb 0.81 -0.33 -0.06 0.00 -0.61 0.00 0.00 39.78 39.59 2iny n ASN 540 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2iny s LEU 541 N -2.39 4.28 -0.37 3.41 2.96 1.84 -4.85 118.68 123.55 2iny s LEU 541 Ca 0.24 1.85 0.01 0.00 -0.22 0.00 0.00 54.13 56.01 2iny s LEU 541 Cb 0.21 -4.08 0.12 0.00 0.50 0.00 0.00 46.19 42.94 2iny s LEU 541 CO 0.02 -0.15 0.17 -0.22 -1.32 0.00 0.00 176.35 174.85 2iny s LEU 542 N -2.23 2.41 0.34 -0.68 2.96 -1.26 0.20 118.68 120.42 2iny s LEU 542 Ca 0.52 -2.12 -0.27 0.00 -0.22 0.00 0.00 54.13 52.04 2iny s LEU 542 Cb -0.18 -0.92 -0.09 0.00 0.50 0.00 0.00 46.19 45.49 2iny s LEU 542 CO 0.23 -0.34 1.11 -0.76 -1.32 0.00 0.00 176.35 175.27 2iny s LEU 543 N 1.01 4.37 0.23 -0.68 1.43 0.35 -4.88 118.68 120.51 2iny s LEU 543 Ca 0.14 2.25 0.03 0.00 -1.03 0.00 0.00 54.13 55.52 2iny s LEU 543 Cb -0.21 -3.84 -0.03 0.00 0.03 0.00 0.00 46.19 42.13 2iny s LEU 543 CO -0.11 -0.36 0.38 -0.76 0.23 0.00 0.00 176.35 175.73 2iny s LEU 544 N -1.97 4.26 0.00 1.79 1.02 -1.26 -2.49 118.68 120.03 2iny s LEU 544 Ca 0.50 0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.86 2iny s LEU 544 Cb -0.30 -2.99 0.00 0.00 0.02 0.00 0.00 46.19 42.92 2iny s LEU 544 CO 0.38 -0.07 0.00 -2.65 0.02 0.00 0.00 176.35 174.02 2iny n PRO 545 N -1.17 0.00 -0.43 1.29 -0.02 -1.25 -4.58 135.00 128.85 2iny n PRO 545 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 2iny n PRO 545 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 2iny n PRO 545 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2iny n GLY 546 N 0.00 -0.65 0.70 -1.23 0.00 0.25 -2.57 105.19 101.69 2iny n GLY 546 Ca 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 2iny n GLY 546 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2iny n THR 547 N 1.01 0.05 -3.53 2.61 5.66 -1.25 -3.94 114.28 114.90 2iny n THR 547 Ca 0.00 -0.11 -0.21 0.00 -3.05 0.00 0.00 64.05 60.68 2iny n THR 547 Cb 0.00 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.64 2iny n THR 547 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 2iny s TYR 548 N -0.40 -0.10 0.66 1.09 2.02 0.17 -4.25 117.35 116.54 2iny s TYR 548 Ca 0.12 -0.00 -0.17 0.00 -0.37 0.00 0.00 57.07 56.65 2iny s TYR 548 Cb -0.12 -0.49 -0.10 0.00 -0.40 0.00 0.00 41.96 40.85 2iny s TYR 548 CO 0.14 -0.58 0.15 2.41 -1.57 0.00 0.00 175.55 176.10 2iny n THR 549 N 5.30 1.07 -3.67 -0.71 -1.04 1.39 -3.83 114.28 112.79 2iny n THR 549 Ca -0.06 -0.46 -0.09 0.00 -2.04 0.00 0.00 64.05 61.40 2iny n THR 549 Cb 0.49 -0.40 -0.09 0.00 -1.82 0.00 0.00 70.33 68.50 2iny n THR 549 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2iny s TYR 550 N -1.92 -0.78 -0.23 -1.42 6.04 -0.53 0.46 117.35 118.98 2iny s TYR 550 Ca 0.60 1.61 -0.11 0.00 0.04 0.00 0.00 57.07 59.21 2iny s TYR 550 Cb -0.39 0.40 0.08 0.00 -1.04 0.00 0.00 41.96 41.01 2iny s TYR 550 CO 0.63 -0.41 0.54 -1.83 -1.54 0.00 0.00 175.55 172.94 2iny s GLU 551 N 1.42 0.52 0.29 4.97 -1.05 -1.11 0.17 118.70 123.90 2iny s GLU 551 Ca -0.09 1.08 0.02 0.00 -0.15 0.00 0.00 54.97 55.83 2iny s GLU 551 Cb -0.07 0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 33.80 2iny s GLU 551 CO -0.15 -0.18 0.14 -0.46 0.95 0.00 0.00 175.26 175.57 2iny s TRP 552 N 1.89 1.58 -0.04 4.83 -0.11 -1.18 0.10 118.94 126.02 2iny s TRP 552 Ca -0.08 -1.31 -0.01 0.00 1.22 0.00 0.00 56.10 55.92 2iny s TRP 552 Cb -0.08 -0.87 0.03 0.00 -1.50 0.00 0.00 33.47 31.04 2iny s TRP 552 CO -0.16 -0.46 0.07 0.08 -4.62 0.00 0.00 176.95 171.86 2iny s VAL 553 N -3.65 -0.04 0.64 5.86 1.01 -1.26 -1.42 120.40 121.53 2iny s VAL 553 Ca 0.36 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.38 2iny s VAL 553 Cb 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.28 2iny s VAL 553 CO 0.16 0.06 1.04 -0.76 0.00 0.00 0.00 175.10 175.61 2iny s LEU 554 N 0.83 3.16 0.41 3.92 1.02 -0.43 -1.51 118.68 126.09 2iny s LEU 554 Ca -0.07 1.37 0.07 0.00 0.02 0.00 0.00 54.13 55.53 2iny s LEU 554 Cb -0.09 -4.36 -0.07 0.00 0.02 0.00 0.00 46.19 41.68 2iny s LEU 554 CO -0.03 -0.99 0.04 -0.60 0.02 0.00 0.00 176.35 174.78 2iny s ARG 555 N -5.21 2.01 0.00 1.70 3.52 -0.14 -2.43 118.95 118.40 2iny s ARG 555 Ca 0.56 -2.08 0.00 0.00 -0.13 0.00 0.00 55.73 54.08 2iny s ARG 555 Cb -0.11 -1.69 0.00 0.00 -1.56 0.00 0.00 34.95 31.59 2iny s ARG 555 CO 0.54 -0.07 0.00 1.63 -0.81 0.00 0.00 175.30 176.58 2iny n LYS 556 N -1.02 1.69 -1.16 5.12 5.02 -0.88 -4.90 118.16 122.03 2iny n LYS 556 Ca -0.05 0.00 -0.54 0.00 -2.02 0.00 0.00 58.31 55.70 2iny n LYS 556 Cb 0.67 -0.76 -0.11 0.00 -0.02 0.00 0.00 35.03 34.81 2iny n LYS 556 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2iny n ASP 557 N -1.43 0.71 0.04 4.39 -0.08 -1.26 -4.70 116.55 114.22 2iny n ASP 557 Ca 0.00 0.65 0.02 0.00 -1.51 0.00 0.00 54.79 53.95 2iny n ASP 557 Cb 0.26 -0.81 0.12 0.00 2.34 0.00 0.00 41.12 43.04 2iny n ASP 557 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2iny n PRO 558 N 6.46 0.03 -1.66 -0.67 -0.04 -1.26 -1.21 135.00 136.64 2iny n PRO 558 Ca 0.47 0.47 -0.32 0.00 -0.04 0.00 0.00 63.50 64.08 2iny n PRO 558 Cb -0.04 -1.68 0.05 0.00 -0.04 0.00 0.00 33.50 31.79 2iny n PRO 558 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2iny n ASN 559 N -1.60 6.79 0.08 3.54 3.02 -1.26 -3.80 115.26 122.03 2iny n ASN 559 Ca -0.00 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.76 2iny n ASN 559 Cb 0.10 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.47 2iny n ASN 559 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2iny n MET 560 N -0.79 0.00 -0.34 3.52 2.81 -0.35 -4.81 117.12 117.16 2iny n MET 560 Ca 0.55 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 56.39 2iny n MET 560 Cb 0.68 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 33.25 2iny n MET 560 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 2iny n ILE 561 N -2.87 1.50 -3.63 2.02 -5.35 -1.00 -4.64 119.36 105.39 2iny n ILE 561 Ca 0.00 -0.53 -0.04 0.00 -0.27 0.00 0.00 62.75 61.91 2iny n ILE 561 Cb 0.00 -0.78 -0.06 0.00 -1.74 0.00 0.00 39.64 37.06 2iny n ILE 561 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2iny s LEU 562 N -0.92 -0.92 0.21 7.28 1.43 -1.25 -4.81 118.68 119.69 2iny s LEU 562 Ca 0.16 1.39 0.03 0.00 -1.03 0.00 0.00 54.13 54.69 2iny s LEU 562 Cb 0.14 2.22 -0.03 0.00 0.03 0.00 0.00 46.19 48.55 2iny s LEU 562 CO 0.03 -0.21 0.34 -1.58 0.23 0.00 0.00 176.35 175.17 2iny s GLN 563 N 2.04 3.45 -0.07 1.70 0.74 0.07 -4.66 119.66 122.92 2iny s GLN 563 Ca -0.08 -0.65 -0.05 0.00 0.05 0.00 0.00 55.36 54.63 2iny s GLN 563 Cb -0.07 -2.91 0.03 0.00 1.10 0.00 0.00 33.01 31.16 2iny s GLN 563 CO -0.19 0.45 0.17 -1.54 -0.55 0.00 0.00 175.29 173.63 2iny s SER 564 N -3.64 -0.16 0.13 6.67 1.04 -0.28 -1.16 113.70 116.29 2iny s SER 564 Ca 0.35 0.35 -0.25 0.00 0.48 0.00 0.00 55.95 56.88 2iny s SER 564 Cb -0.10 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 2iny s SER 564 CO 0.29 -0.10 1.64 0.77 0.98 0.00 0.00 173.24 176.82 2iny h SER 565 N 6.52 -0.74 1.21 7.02 4.64 -1.82 -1.68 113.55 128.71 2iny h SER 565 Ca -0.33 0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.02 2iny h SER 565 Cb 1.17 0.31 -0.01 0.00 -0.31 0.00 0.00 62.40 63.57 2iny h SER 565 CO 0.41 -0.30 -0.36 0.25 -0.87 0.00 0.00 176.83 175.95 2iny h LEU 566 N -0.34 0.00 -2.62 5.97 5.85 -1.83 -3.35 115.31 118.99 2iny h LEU 566 Ca 0.08 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2iny h LEU 566 Cb 0.46 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.50 2iny h LEU 566 CO -0.26 0.36 -0.05 0.61 -0.34 0.00 0.00 178.44 178.76 2iny n GLY 567 N 0.68 -0.83 2.82 3.75 0.00 -0.63 -4.91 105.19 106.06 2iny n GLY 567 Ca 0.01 0.22 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 2iny n GLY 567 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iny s ASN 568 N -2.67 0.31 0.04 1.61 2.20 -1.26 -4.01 114.94 111.16 2iny s ASN 568 Ca 0.03 -0.01 -0.26 0.00 -0.94 0.00 0.00 52.86 51.67 2iny s ASN 568 Cb -0.00 -0.16 -0.14 0.00 -2.00 0.00 0.00 41.25 38.95 2iny s ASN 568 CO 0.46 -0.09 0.65 -0.90 -2.94 0.00 0.00 177.10 174.28 2iny n ASP 569 N 4.01 -0.26 -0.96 3.54 5.68 -1.22 -4.06 116.55 123.28 2iny n ASP 569 Ca -0.26 0.82 0.09 0.00 -0.50 0.00 0.00 54.79 54.95 2iny n ASP 569 Cb 0.51 -0.66 0.25 0.00 -1.14 0.00 0.00 41.12 40.08 2iny n ASP 569 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2iny n LEU 570 N 1.17 2.81 0.06 -2.12 4.32 -1.26 -3.93 117.00 118.05 2iny n LEU 570 Ca 0.14 -1.36 -0.22 0.00 -0.02 0.00 0.00 56.01 54.54 2iny n LEU 570 Cb 0.09 -0.32 -0.15 0.00 -1.62 0.00 0.00 43.42 41.43 2iny n LEU 570 CO 0.42 0.68 -0.37 0.08 -1.22 0.00 0.00 177.39 176.98 2iny h ARG 571 N 3.20 0.35 -0.04 3.23 0.11 -1.89 2.18 114.38 121.53 2iny h ARG 571 Ca 0.00 -0.60 0.01 0.00 0.10 0.00 0.00 59.98 59.49 2iny h ARG 571 Cb 0.73 0.22 -0.00 0.00 1.11 0.00 0.00 29.97 32.03 2iny h ARG 571 CO 0.00 1.29 0.28 0.00 0.10 0.00 0.00 179.97 181.64 2iny h ALA 572 N 0.06 1.37 -2.04 0.08 0.00 -1.95 1.53 119.26 118.30 2iny h ALA 572 Ca -0.29 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.09 2iny h ALA 572 Cb 1.93 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 19.32 2iny h ALA 572 CO 0.15 -0.30 -1.07 -0.25 0.00 0.00 0.00 179.25 177.77 2iny n ASP 573 N -3.04 1.18 0.00 0.00 8.00 -1.20 -5.05 116.55 116.44 2iny n ASP 573 Ca -0.01 -3.00 0.00 0.00 0.71 0.00 0.00 54.79 52.49 2iny n ASP 573 Cb 0.35 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 2iny n ASP 573 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2iny n GLY 574 N 0.65 0.00 3.85 0.44 0.00 0.52 -4.58 105.19 106.08 2iny n GLY 574 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 2iny n GLY 574 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iny s ALA 575 N 0.00 3.01 -0.03 4.61 0.00 0.73 -4.64 121.76 125.44 2iny s ALA 575 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.98 2iny s ALA 575 Cb 0.00 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 20.02 2iny s ALA 575 CO 0.00 -0.64 0.08 -1.14 0.00 0.00 0.00 175.76 174.06 2iny s GLN 576 N -4.78 0.08 0.08 0.00 2.00 -0.98 -4.86 119.66 111.21 2iny s GLN 576 Ca 0.57 0.13 0.07 0.00 -2.00 0.00 0.00 55.36 54.13 2iny s GLN 576 Cb -0.11 0.01 -0.03 0.00 0.80 0.00 0.00 33.01 33.67 2iny s GLN 576 CO 0.47 -0.03 -0.20 -1.50 -0.50 0.00 0.00 175.29 173.53 2iny s ILE 577 N 0.19 1.61 -0.26 -2.34 -1.16 -1.26 -2.39 121.20 115.58 2iny s ILE 577 Ca -0.01 -1.40 -0.03 0.00 -0.51 0.00 0.00 60.65 58.70 2iny s ILE 577 Cb -0.02 -1.45 0.14 0.00 0.61 0.00 0.00 42.46 41.74 2iny s ILE 577 CO -0.01 -0.00 0.48 0.54 -2.81 0.00 0.00 174.94 173.14 2iny s VAL 578 N -1.06 -0.77 -0.59 4.00 0.11 -0.52 -4.97 120.40 116.61 2iny s VAL 578 Ca 0.06 -0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.83 2iny s VAL 578 Cb -0.10 -0.87 0.01 0.00 -1.53 0.00 0.00 36.38 33.90 2iny s VAL 578 CO 0.03 -0.04 1.47 -0.31 -3.33 0.00 0.00 175.10 172.92 2iny s TYR 579 N 2.69 2.18 0.07 1.54 2.02 -1.26 -1.70 117.35 122.88 2iny s TYR 579 Ca 0.11 0.45 -0.26 0.00 -0.37 0.00 0.00 57.07 57.00 2iny s TYR 579 Cb -0.14 -4.37 -0.12 0.00 -0.40 0.00 0.00 41.96 36.92 2iny s TYR 579 CO -0.17 -2.07 1.41 1.15 -1.57 0.00 0.00 175.55 174.30 2iny h THR 580 N 6.41 0.00 -2.87 -0.71 2.02 -1.78 -3.46 112.91 112.52 2iny h THR 580 Ca -0.27 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 2iny h THR 580 Cb 1.10 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.38 2iny h THR 580 CO 1.19 0.00 0.21 -1.83 0.37 0.00 0.00 175.52 175.47 2iny s GLU 581 N -5.06 1.25 0.04 6.66 -1.05 -1.06 -5.04 118.70 114.43 2iny s GLU 581 Ca -0.13 -0.38 -0.10 0.00 -0.15 0.00 0.00 54.97 54.21 2iny s GLU 581 Cb 0.04 0.58 0.01 0.00 -0.44 0.00 0.00 34.13 34.31 2iny s GLU 581 CO 0.45 -0.53 0.22 0.08 0.95 0.00 0.00 175.26 176.43 2iny s VAL 582 N -3.44 0.10 0.00 1.83 1.01 -1.26 -3.80 120.40 114.84 2iny s VAL 582 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2iny s VAL 582 Cb -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.43 2iny s VAL 582 CO -0.10 -0.47 0.00 0.59 0.00 0.00 0.00 175.10 175.12 2iny n ASN 583 N 0.62 0.00 -3.64 3.32 4.13 -1.21 -4.47 115.26 114.01 2iny n ASN 583 Ca -0.19 -0.30 -0.29 0.00 1.68 0.00 0.00 54.58 55.48 2iny n ASN 583 Cb 0.59 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.68 2iny n ASN 583 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2iny s LEU 584 N 0.00 1.36 0.69 3.41 2.96 -0.95 -2.92 118.68 123.23 2iny s LEU 584 Ca 0.00 -1.44 -0.11 0.00 -0.22 0.00 0.00 54.13 52.35 2iny s LEU 584 Cb 0.00 -0.60 0.00 0.00 0.50 0.00 0.00 46.19 46.09 2iny s LEU 584 CO 0.00 -0.42 1.08 -0.04 -1.32 0.00 0.00 176.35 175.65 2iny s MET 585 N 1.86 3.01 -0.28 1.98 -1.94 -1.19 -0.55 119.30 122.19 2iny s MET 585 Ca 0.09 0.53 -0.17 0.00 -1.71 0.00 0.00 55.69 54.44 2iny s MET 585 Cb -0.17 -2.03 0.10 0.00 2.01 0.00 0.00 34.83 34.74 2iny s MET 585 CO -0.31 -0.95 0.77 0.00 -0.01 0.00 0.00 175.02 174.53 2iny s ALA 586 N -3.31 -1.98 -0.34 3.03 0.00 -0.32 -3.96 121.76 114.88 2iny s ALA 586 Ca 0.58 2.34 -0.07 0.00 0.00 0.00 0.00 51.96 54.81 2iny s ALA 586 Cb -0.11 -1.49 0.04 0.00 0.00 0.00 0.00 23.12 21.55 2iny s ALA 586 CO 0.52 -0.37 0.11 -0.80 0.00 0.00 0.00 175.76 175.22 2iny s ASN 587 N 1.48 5.33 0.72 0.00 0.01 -1.22 0.98 114.94 122.25 2iny s ASN 587 Ca -0.09 -1.12 -0.06 0.00 -0.71 0.00 0.00 52.86 50.88 2iny s ASN 587 Cb -0.05 -1.87 0.09 0.00 0.41 0.00 0.00 41.25 39.82 2iny s ASN 587 CO -0.18 -0.32 1.03 -0.36 -1.51 0.00 0.00 177.10 175.76 2iny s PHE 588 N 1.41 2.55 -0.37 2.20 0.40 1.76 -4.82 117.98 121.12 2iny s PHE 588 Ca -0.01 0.28 -0.05 0.00 -0.60 0.00 0.00 56.93 56.55 2iny s PHE 588 Cb -0.19 -3.24 0.07 0.00 0.51 0.00 0.00 43.02 40.17 2iny s PHE 588 CO 0.03 -1.56 0.14 -1.64 0.70 0.00 0.00 175.22 172.89 2iny s MET 589 N -5.27 2.38 0.00 0.44 -1.94 -1.26 -4.62 119.30 109.03 2iny s MET 589 Ca 0.62 -1.45 0.00 0.00 -1.71 0.00 0.00 55.69 53.15 2iny s MET 589 Cb -0.09 -3.49 0.00 0.00 2.01 0.00 0.00 34.83 33.25 2iny s MET 589 CO 0.45 -0.84 0.39 -0.35 -0.01 0.00 0.00 175.02 174.67 2iny n PRO 590 N 4.72 0.00 -1.82 2.03 -0.04 -1.26 -4.74 135.00 133.88 2iny n PRO 590 Ca -0.09 -0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 62.88 2iny n PRO 590 Cb 0.43 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 2iny n PRO 590 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2iny s MET 591 N 2.30 4.08 1.02 0.54 -1.94 -1.26 -2.77 119.30 121.25 2iny s MET 591 Ca 0.00 2.36 -0.23 0.00 -1.71 0.00 0.00 55.69 56.11 2iny s MET 591 Cb 0.00 -4.10 -0.13 0.00 2.01 0.00 0.00 34.83 32.61 2iny s MET 591 CO 0.00 -1.00 -1.07 -3.47 -0.01 0.00 0.00 175.02 169.47 2iny n ASP 592 N 7.67 -3.55 -0.10 3.03 2.03 0.24 -4.66 116.55 121.22 2iny n ASP 592 Ca 0.19 0.04 -0.21 0.00 0.52 0.00 0.00 54.79 55.33 2iny n ASP 592 Cb 0.42 -0.66 -0.11 0.00 -0.72 0.00 0.00 41.12 40.05 2iny n ASP 592 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2iny h HIS 593 N -1.18 0.00 0.11 -0.67 3.86 -1.87 -1.59 115.15 113.80 2iny h HIS 593 Ca -0.42 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 58.80 2iny h HIS 593 Cb 1.37 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.79 2iny h HIS 593 CO 0.09 1.43 -0.49 -0.91 0.86 0.00 0.00 177.93 178.91 2iny h ASN 594 N -1.00 -1.46 -0.98 2.45 -0.26 -1.95 0.92 115.58 113.30 2iny h ASN 594 Ca -0.32 0.16 0.14 0.00 -0.56 0.00 0.00 56.30 55.71 2iny h ASN 594 Cb 1.27 0.54 -0.15 0.00 -1.06 0.00 0.00 38.32 38.92 2iny h ASN 594 CO -0.19 -0.53 -0.44 0.74 -1.06 0.00 0.00 177.43 175.95 2iny h THR 595 N -0.71 0.01 0.00 2.81 2.02 -1.87 0.18 112.91 115.35 2iny h THR 595 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 2iny h THR 595 Cb 0.73 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2iny h THR 595 CO -0.28 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.07 2iny n SER 596 N -5.42 0.00 0.19 4.18 3.41 -0.05 -0.15 113.62 115.78 2iny n SER 596 Ca 0.08 0.90 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 2iny n SER 596 Cb 0.36 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2iny n SER 596 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2iny n ASN 597 N -2.01 0.00 -0.06 4.04 2.85 0.30 0.11 115.26 120.48 2iny n ASN 597 Ca 0.00 0.28 -0.04 0.00 -0.11 0.00 0.00 54.58 54.71 2iny n ASN 597 Cb 0.00 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.00 2iny n ASN 597 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2iny h GLN 598 N 0.00 0.00 -0.97 1.20 5.75 0.22 -2.91 115.11 118.40 2iny h GLN 598 Ca 0.00 0.00 0.22 0.00 -0.15 0.00 0.00 58.65 58.72 2iny h GLN 598 Cb 1.39 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 29.83 2iny h GLN 598 CO 0.00 0.12 0.55 1.25 -2.65 0.00 0.00 178.83 178.10 2iny h LEU 599 N -1.00 0.64 0.13 -2.39 6.46 0.16 0.25 115.31 119.56 2iny h LEU 599 Ca -0.02 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 2iny h LEU 599 Cb 0.34 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 2iny h LEU 599 CO -0.01 0.15 -0.06 -0.08 -0.62 0.00 0.00 178.44 177.82 2iny h GLU 600 N 0.61 -0.17 -1.42 1.25 4.81 -1.73 7.69 114.58 125.62 2iny h GLU 600 Ca 0.60 0.01 0.46 0.00 -0.13 0.00 0.00 59.36 60.29 2iny h GLU 600 Cb 1.05 0.04 -0.11 0.00 0.63 0.00 0.00 28.75 30.36 2iny h GLU 600 CO -0.45 0.25 0.96 -0.11 -0.73 0.00 0.00 179.01 178.93 2iny n LEU 601 N -4.95 0.12 -0.09 1.64 7.94 0.58 0.12 117.00 122.37 2iny n LEU 601 Ca -0.09 1.12 -0.10 0.00 -1.11 0.00 0.00 56.01 55.83 2iny n LEU 601 Cb 0.26 -0.55 -0.03 0.00 0.53 0.00 0.00 43.42 43.62 2iny n LEU 601 CO 0.30 -1.19 -0.69 0.23 -1.11 0.00 0.00 177.39 174.93 2iny n MET 602 N -4.22 0.52 -0.46 1.96 0.00 0.43 -4.34 117.12 111.01 2iny n MET 602 Ca 0.37 0.26 0.42 0.00 0.00 0.00 0.00 57.70 58.76 2iny n MET 602 Cb 1.54 -1.48 0.77 0.00 0.00 0.00 0.00 33.22 34.06 2iny n MET 602 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2iny h LEU 603 N -1.00 0.00 -3.74 4.03 7.12 1.76 0.50 115.31 123.97 2iny h LEU 603 Ca -0.06 0.00 -0.26 0.00 0.13 0.00 0.00 57.88 57.68 2iny h LEU 603 Cb 0.99 0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 41.01 2iny h LEU 603 CO -0.04 0.00 0.14 0.54 -0.13 0.00 0.00 178.44 178.95 2iny n ARG 604 N -4.03 1.81 -4.32 1.25 1.74 0.33 -4.74 116.66 108.71 2iny n ARG 604 Ca 0.33 -1.28 -0.24 0.00 -0.77 0.00 0.00 57.85 55.89 2iny n ARG 604 Cb 1.56 -1.69 -0.08 0.00 -1.02 0.00 0.00 32.46 31.22 2iny n ARG 604 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2iny s ASN 605 N 1.03 4.34 -0.10 0.55 -0.87 0.17 -4.84 114.94 115.22 2iny s ASN 605 Ca 0.39 -0.69 -0.24 0.00 -1.57 0.00 0.00 52.86 50.75 2iny s ASN 605 Cb 0.24 -0.74 -0.28 0.00 -0.02 0.00 0.00 41.25 40.45 2iny s ASN 605 CO -0.06 0.03 0.75 0.00 -2.57 0.00 0.00 177.10 175.25 2iny h ALA 606 N 2.16 0.01 -0.76 0.60 0.00 -1.89 -3.34 119.26 116.03 2iny h ALA 606 Ca -0.44 -0.72 0.13 0.00 0.00 0.00 0.00 54.91 53.89 2iny h ALA 606 Cb 1.24 0.16 -0.14 0.00 0.00 0.00 0.00 17.79 19.06 2iny h ALA 606 CO 0.59 0.32 -0.32 1.15 0.00 0.00 0.00 179.25 180.99 2iny h THR 607 N -0.65 0.12 -1.51 0.00 2.02 -1.96 -2.76 112.91 108.17 2iny h THR 607 Ca -0.13 0.00 -0.63 0.00 0.77 0.00 0.00 66.41 66.42 2iny h THR 607 Cb 1.39 0.12 -0.22 0.00 -1.74 0.00 0.00 68.15 67.70 2iny h THR 607 CO 0.05 0.00 0.73 0.59 0.37 0.00 0.00 175.52 177.26 2iny n ASN 608 N -5.47 7.01 -4.68 4.18 3.02 -1.25 -4.98 115.26 113.09 2iny n ASN 608 Ca 0.08 -3.52 -0.43 0.00 -0.03 0.00 0.00 54.58 50.68 2iny n ASN 608 Cb 0.38 -1.15 -0.02 0.00 -0.61 0.00 0.00 39.78 38.38 2iny n ASN 608 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2iny s ASP 609 N -0.39 7.09 1.21 6.41 1.01 -1.04 -4.80 116.67 126.16 2iny s ASP 609 Ca 0.55 1.66 -0.13 0.00 0.71 0.00 0.00 52.55 55.35 2iny s ASP 609 Cb 0.41 -2.55 0.20 0.00 1.01 0.00 0.00 42.92 41.99 2iny s ASP 609 CO -0.31 -0.59 0.46 0.00 0.21 0.00 0.00 175.17 174.94 2iny n GLN 610 N 5.53 -3.30 -3.60 8.23 6.02 -1.19 -4.72 117.38 124.35 2iny n GLN 610 Ca 0.11 -0.77 -0.03 0.00 -0.01 0.00 0.00 57.00 56.29 2iny n GLN 610 Cb 0.47 -1.04 -0.02 0.00 1.02 0.00 0.00 30.24 30.67 2iny n GLN 610 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2iny s THR 611 N -1.59 0.00 -0.14 5.09 -1.32 -1.26 -2.02 115.64 114.41 2iny s THR 611 Ca 0.35 -0.05 -0.07 0.00 -1.21 0.00 0.00 61.69 60.72 2iny s THR 611 Cb -0.06 -1.20 0.06 0.00 -1.51 0.00 0.00 72.50 69.78 2iny s THR 611 CO 0.30 0.00 0.32 -0.36 -2.21 0.00 0.00 174.62 172.67 2iny s PHE 612 N -2.45 -0.49 -0.06 9.09 0.08 -1.26 -4.93 117.98 117.96 2iny s PHE 612 Ca 0.10 1.07 0.02 0.00 0.12 0.00 0.00 56.93 58.24 2iny s PHE 612 Cb 0.00 0.13 -0.03 0.00 -0.57 0.00 0.00 43.02 42.55 2iny s PHE 612 CO -0.04 -0.32 -0.11 0.00 -0.10 0.00 0.00 175.22 174.64 2iny s ALA 613 N 1.73 2.79 -0.06 5.36 0.00 -1.26 -3.49 121.76 126.83 2iny s ALA 613 Ca -0.06 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.67 2iny s ALA 613 Cb -0.10 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 2iny s ALA 613 CO -0.10 0.54 0.96 0.34 0.00 0.00 0.00 175.76 177.50 2iny s ASP 614 N -0.67 7.27 0.17 0.00 3.68 -1.26 -4.99 116.67 120.86 2iny s ASP 614 Ca 0.10 1.55 -0.23 0.00 2.13 0.00 0.00 52.55 56.10 2iny s ASP 614 Cb -0.11 -2.55 0.06 0.00 -1.45 0.00 0.00 42.92 38.87 2iny s ASP 614 CO 0.01 -0.33 1.59 0.22 0.13 0.00 0.00 175.17 176.79 2iny h TYR 615 N 6.94 -0.96 0.03 -5.34 3.20 -1.95 -1.49 116.97 117.41 2iny h TYR 615 Ca -0.36 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.58 2iny h TYR 615 Cb 1.18 0.48 -0.04 0.00 1.54 0.00 0.00 36.73 39.90 2iny h TYR 615 CO 0.69 -0.39 -0.40 1.25 -1.64 0.00 0.00 178.16 177.67 2iny h LEU 616 N -0.25 -1.24 -2.95 2.82 7.12 -1.93 -3.47 115.31 115.42 2iny h LEU 616 Ca 0.18 0.14 -0.02 0.00 0.13 0.00 0.00 57.88 58.30 2iny h LEU 616 Cb 0.55 0.47 0.02 0.00 -0.53 0.00 0.00 40.66 41.16 2iny h LEU 616 CO -0.57 -0.40 -0.07 0.61 -0.13 0.00 0.00 178.44 177.87 2iny n GLY 617 N -1.35 0.56 3.61 3.75 0.00 -0.56 -4.98 105.19 106.21 2iny n GLY 617 Ca -0.06 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.79 2iny n GLY 617 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iny s ALA 618 N -3.03 -2.27 0.49 4.61 0.00 -1.24 -1.68 121.76 118.63 2iny s ALA 618 Ca 0.04 0.80 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 2iny s ALA 618 Cb -0.00 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.42 2iny s ALA 618 CO 0.07 -1.03 0.73 0.21 0.00 0.00 0.00 175.76 175.75 2iny s LYS 619 N -2.36 3.02 -0.11 0.00 2.20 0.35 -4.74 119.74 118.10 2iny s LYS 619 Ca 0.14 -0.38 -0.01 0.00 -0.36 0.00 0.00 55.97 55.37 2iny s LYS 619 Cb 0.05 -2.49 0.03 0.00 -1.51 0.00 0.00 37.83 33.91 2iny s LYS 619 CO -0.04 -0.39 -0.06 -0.80 -0.36 0.00 0.00 175.35 173.70 2iny s ASN 620 N -4.24 2.14 0.11 1.43 -0.87 -1.24 -3.28 114.94 108.99 2iny s ASN 620 Ca 0.50 -0.30 0.10 0.00 -1.57 0.00 0.00 52.86 51.59 2iny s ASN 620 Cb -0.10 -0.78 -0.04 0.00 -0.02 0.00 0.00 41.25 40.31 2iny s ASN 620 CO 0.40 -0.14 -0.25 0.00 -2.57 0.00 0.00 177.10 174.54 2iny s ALA 621 N 1.75 2.17 -0.21 0.60 0.00 -1.18 -4.66 121.76 120.23 2iny s ALA 621 Ca 0.05 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 50.62 2iny s ALA 621 Cb -0.13 -0.35 0.06 0.00 0.00 0.00 0.00 23.12 22.71 2iny s ALA 621 CO -0.08 0.48 0.02 -0.51 0.00 0.00 0.00 175.76 175.67 2iny s LEU 622 N -1.89 1.62 -0.44 0.00 1.43 -1.26 -1.81 118.68 116.33 2iny s LEU 622 Ca 0.11 -0.98 -0.05 0.00 -1.03 0.00 0.00 54.13 52.18 2iny s LEU 622 Cb -0.10 -0.77 0.12 0.00 0.03 0.00 0.00 46.19 45.47 2iny s LEU 622 CO 0.05 -0.30 0.27 -0.31 0.23 0.00 0.00 176.35 176.29 2iny s TYR 623 N 1.72 3.52 -0.08 0.29 2.02 -1.26 -4.96 117.35 118.60 2iny s TYR 623 Ca -0.01 -2.22 -0.30 0.00 -0.37 0.00 0.00 57.07 54.17 2iny s TYR 623 Cb -0.18 -3.34 -0.04 0.00 -0.40 0.00 0.00 41.96 38.00 2iny s TYR 623 CO -0.09 -0.98 1.54 1.21 -1.57 0.00 0.00 175.55 175.67 2iny s ASN 624 N 2.12 6.75 0.71 2.29 2.47 -1.26 -3.66 114.94 124.36 2iny s ASN 624 Ca 0.08 2.09 -0.10 0.00 0.42 0.00 0.00 52.86 55.35 2iny s ASN 624 Cb -0.24 -2.54 0.04 0.00 -1.45 0.00 0.00 41.25 37.06 2iny s ASN 624 CO -0.03 -0.87 1.07 -0.69 -3.72 0.00 0.00 177.10 172.86 2iny s VAL 625 N 3.81 2.90 0.00 -5.21 1.01 -0.69 -4.99 120.40 117.23 2iny s VAL 625 Ca 0.68 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.80 2iny s VAL 625 Cb -0.30 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2iny s VAL 625 CO 0.26 -0.32 0.00 -2.65 0.00 0.00 0.00 175.10 172.38 2iny n PRO 626 N -3.01 0.00 0.00 2.72 -0.02 -1.26 -4.25 135.00 129.18 2iny n PRO 626 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2iny n PRO 626 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 2iny n PRO 626 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2iny n ALA 627 N -3.00 0.00 0.00 3.55 0.00 -1.26 -4.02 120.51 115.78 2iny n ALA 627 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2iny n ALA 627 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2iny n ALA 627 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iny n GLY 628 N 0.00 0.59 3.33 0.00 0.00 -1.26 -4.83 105.19 103.02 2iny n GLY 628 Ca 0.00 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2iny n GLY 628 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2iny n SER 629 N 0.00 -2.70 -0.04 1.61 7.64 -1.26 -4.72 113.62 114.15 2iny n SER 629 Ca 0.00 0.69 -0.08 0.00 1.01 0.00 0.00 58.87 60.49 2iny n SER 629 Cb 0.00 -0.97 -0.03 0.00 -1.01 0.00 0.00 64.21 62.20 2iny n SER 629 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2iny n THR 630 N -1.56 0.43 -2.61 0.44 -2.24 -1.26 -4.65 114.28 102.83 2iny n THR 630 Ca 0.09 -0.12 -0.24 0.00 -2.27 0.00 0.00 64.05 61.52 2iny n THR 630 Cb 0.47 -1.53 0.03 0.00 -2.10 0.00 0.00 70.33 67.21 2iny n THR 630 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2iny s LEU 631 N -6.33 3.29 -0.36 3.22 2.34 -1.25 0.32 118.68 119.90 2iny s LEU 631 Ca -0.11 0.30 0.02 0.00 0.06 0.00 0.00 54.13 54.41 2iny s LEU 631 Cb 0.04 -3.13 0.15 0.00 -0.56 0.00 0.00 46.19 42.69 2iny s LEU 631 CO 0.14 -1.08 0.35 -0.22 -1.06 0.00 0.00 176.35 174.48 2iny s LEU 632 N -4.84 0.07 -0.10 1.48 1.98 0.12 -4.78 118.68 112.61 2iny s LEU 632 Ca 0.55 -1.62 -0.30 0.00 -2.89 0.00 0.00 54.13 49.87 2iny s LEU 632 Cb -0.10 0.43 -0.03 0.00 0.66 0.00 0.00 46.19 47.14 2iny s LEU 632 CO 0.41 -0.27 1.37 -0.89 -1.89 0.00 0.00 176.35 175.08 2iny s THR 633 N 1.43 4.02 -0.67 3.68 2.01 -1.26 -1.68 115.64 123.17 2iny s THR 633 Ca 0.17 1.28 0.05 0.00 0.31 0.00 0.00 61.69 63.50 2iny s THR 633 Cb -0.16 -3.82 0.18 0.00 0.01 0.00 0.00 72.50 68.71 2iny s THR 633 CO -0.04 -0.08 0.52 -0.38 -0.69 0.00 0.00 174.62 173.94 2iny n ILE 634 N 5.21 1.47 -2.14 1.82 5.41 -0.42 -4.99 119.36 125.72 2iny n ILE 634 Ca 0.14 -4.79 -0.43 0.00 1.00 0.00 0.00 62.75 58.68 2iny n ILE 634 Cb 0.44 -2.13 -0.02 0.00 -0.71 0.00 0.00 39.64 37.22 2iny n ILE 634 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2iny s ASN 635 N -1.49 6.14 0.65 4.38 2.47 -1.26 -1.54 114.94 124.29 2iny s ASN 635 Ca 0.28 1.21 -0.09 0.00 0.42 0.00 0.00 52.86 54.68 2iny s ASN 635 Cb -0.00 -2.53 0.01 0.00 -1.45 0.00 0.00 41.25 37.28 2iny s ASN 635 CO -0.15 -1.52 1.01 -0.63 -3.72 0.00 0.00 177.10 172.08 2iny s ILE 636 N 6.06 3.52 0.00 -5.21 -1.09 1.56 -4.91 121.20 121.12 2iny s ILE 636 Ca 0.72 0.24 0.00 0.00 -2.23 0.00 0.00 60.65 59.38 2iny s ILE 636 Cb -0.20 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 2iny s ILE 636 CO 0.32 -0.53 0.00 -2.65 -1.23 0.00 0.00 174.94 170.85 2iny n PRO 637 N -2.82 2.97 -3.19 2.79 -0.02 -1.26 -3.80 135.00 129.66 2iny n PRO 637 Ca 0.06 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.31 2iny n PRO 637 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.06 2iny n PRO 637 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2iny s ALA 638 N -3.05 3.79 0.00 3.55 0.00 -1.26 -2.29 121.76 122.51 2iny s ALA 638 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2iny s ALA 638 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.05 2iny s ALA 638 CO 0.00 -0.20 0.00 -2.13 0.00 0.00 0.00 175.76 173.43 2iny n ARG 639 N -1.92 -3.10 -3.89 0.00 0.63 -0.66 -4.89 116.66 102.83 2iny n ARG 639 Ca -0.01 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.57 2iny n ARG 639 Cb 0.57 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.39 2iny n ARG 639 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2iny s THR 640 N -2.45 4.99 -0.36 5.15 -4.23 -1.26 -0.94 115.64 116.53 2iny s THR 640 Ca 0.00 0.04 0.06 0.00 -1.18 0.00 0.00 61.69 60.61 2iny s THR 640 Cb 0.00 -3.27 0.48 0.00 1.34 0.00 0.00 72.50 71.05 2iny s THR 640 CO 0.00 0.44 1.47 0.79 -0.54 0.00 0.00 174.62 176.78 2iny n TRP 641 N 3.66 2.05 -2.41 3.99 7.02 -1.26 -4.49 117.44 126.00 2iny n TRP 641 Ca -0.16 -2.09 -0.43 0.00 -1.02 0.00 0.00 57.50 53.80 2iny n TRP 641 Cb 0.52 -0.62 -0.02 0.00 -2.42 0.00 0.00 31.31 28.77 2iny n TRP 641 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 2iny s GLU 642 N -3.48 3.87 0.00 -0.99 1.03 -1.24 -2.82 118.70 115.07 2iny s GLU 642 Ca 0.51 1.20 0.00 0.00 0.03 0.00 0.00 54.97 56.71 2iny s GLU 642 Cb 0.43 -3.90 0.00 0.00 -0.80 0.00 0.00 34.13 29.86 2iny s GLU 642 CO 0.01 -1.18 0.00 0.41 -1.33 0.00 0.00 175.26 173.17 2iny n GLY 643 N 4.41 1.66 2.52 -3.83 0.00 -1.25 -2.67 105.19 106.04 2iny n GLY 643 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 2iny n GLY 643 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2iny n MET 644 N -0.19 0.00 -0.01 1.61 1.56 -1.13 -4.21 117.12 114.75 2iny n MET 644 Ca 0.00 0.00 -0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2iny n MET 644 Cb 0.00 -1.04 -0.00 0.00 2.15 0.00 0.00 33.22 34.33 2iny n MET 644 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2iny h ARG 645 N 2.83 0.00 0.00 2.12 3.08 -0.93 -3.38 114.38 118.09 2iny h ARG 645 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2iny h ARG 645 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 2iny h ARG 645 CO 0.57 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.88 2iny n GLY 646 N 1.91 -0.83 2.92 0.04 0.00 -1.26 -0.24 105.19 107.73 2iny n GLY 646 Ca -0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 2iny n GLY 646 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2iny s TRP 647 N -4.00 1.83 -0.17 1.61 0.51 -1.12 -2.83 118.94 114.77 2iny s TRP 647 Ca 0.00 -1.13 -0.03 0.00 -2.12 0.00 0.00 56.10 52.82 2iny s TRP 647 Cb 0.00 -1.38 -0.02 0.00 -0.81 0.00 0.00 33.47 31.26 2iny s TRP 647 CO 0.00 -0.63 -0.06 -1.12 -0.51 0.00 0.00 176.95 174.63 2iny s SER 648 N 1.59 4.45 -0.24 2.95 0.01 -0.49 0.59 113.70 122.56 2iny s SER 648 Ca 0.01 -0.27 -0.22 0.00 1.31 0.00 0.00 55.95 56.79 2iny s SER 648 Cb -0.15 -1.73 0.06 0.00 0.21 0.00 0.00 66.02 64.42 2iny s SER 648 CO -0.08 0.10 0.64 0.72 0.41 0.00 0.00 173.24 175.03 2iny s PHE 649 N 0.75 -0.70 -0.05 2.43 -0.12 0.33 -0.85 117.98 119.76 2iny s PHE 649 Ca -0.03 1.71 -0.13 0.00 -0.05 0.00 0.00 56.93 58.43 2iny s PHE 649 Cb -0.15 0.24 0.02 0.00 -0.63 0.00 0.00 43.02 42.51 2iny s PHE 649 CO 0.02 -0.34 0.31 0.99 -0.05 0.00 0.00 175.22 176.15 2iny s THR 650 N 0.36 0.04 0.87 -4.49 2.01 -1.26 -2.37 115.64 110.80 2iny s THR 650 Ca -0.00 -0.32 -0.12 0.00 0.31 0.00 0.00 61.69 61.56 2iny s THR 650 Cb -0.04 -0.55 0.11 0.00 0.01 0.00 0.00 72.50 72.03 2iny s THR 650 CO 0.01 -0.18 1.14 -0.60 -0.69 0.00 0.00 174.62 174.30 2iny s ARG 651 N -0.80 1.49 -0.28 4.92 3.52 -0.85 -4.42 118.95 122.53 2iny s ARG 651 Ca -0.09 0.30 -0.25 0.00 -0.13 0.00 0.00 55.73 55.56 2iny s ARG 651 Cb -0.04 -1.88 0.10 0.00 -1.56 0.00 0.00 34.95 31.57 2iny s ARG 651 CO 0.03 -1.96 0.89 -0.48 -0.81 0.00 0.00 175.30 172.97 2iny s LEU 652 N -5.88 -0.59 0.84 -0.88 2.34 -1.26 -4.56 118.68 108.69 2iny s LEU 652 Ca 0.63 1.13 -0.09 0.00 0.06 0.00 0.00 54.13 55.86 2iny s LEU 652 Cb -0.14 2.14 0.13 0.00 -0.56 0.00 0.00 46.19 47.76 2iny s LEU 652 CO 0.52 -0.19 0.28 0.29 -1.06 0.00 0.00 176.35 176.19 2iny n LYS 653 N 2.47 -1.66 -0.10 1.48 5.02 -1.26 -1.02 118.16 123.08 2iny n LYS 653 Ca -0.13 -0.49 -0.16 0.00 -2.02 0.00 0.00 58.31 55.50 2iny n LYS 653 Cb 0.56 -1.31 -0.05 0.00 -0.02 0.00 0.00 35.03 34.20 2iny n LYS 653 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2iny n ALA 654 N -3.98 1.08 0.22 7.82 0.00 -1.13 -3.61 120.51 120.92 2iny n ALA 654 Ca 0.05 -0.89 0.06 0.00 0.00 0.00 0.00 53.44 52.65 2iny n ALA 654 Cb 0.21 0.08 0.52 0.00 0.00 0.00 0.00 19.45 20.26 2iny n ALA 654 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2iny h SER 655 N -0.96 0.03 -0.35 0.00 4.64 -1.93 -2.32 113.55 112.65 2iny h SER 655 Ca -0.25 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.00 2iny h SER 655 Cb 1.19 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 2iny h SER 655 CO -0.15 0.17 0.08 -0.62 -0.87 0.00 0.00 176.83 175.43 2iny n GLU 656 N -4.36 2.74 -3.70 4.77 1.02 -1.26 -4.76 120.64 115.09 2iny n GLU 656 Ca -0.02 -1.64 -0.12 0.00 -0.02 0.00 0.00 57.16 55.35 2iny n GLU 656 Cb 0.22 -1.84 -0.09 0.00 -0.02 0.00 0.00 31.44 29.70 2iny n GLU 656 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2iny s THR 657 N -1.88 -0.01 0.41 2.62 2.01 -0.87 -4.54 115.64 113.38 2iny s THR 657 Ca 0.29 0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.39 2iny s THR 657 Cb 0.23 -0.68 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 2iny s THR 657 CO 0.08 0.01 0.44 -2.16 -0.69 0.00 0.00 174.62 172.29 2iny s PRO 658 N 0.59 2.64 -0.43 4.92 0.05 -1.26 -4.80 135.00 136.72 2iny s PRO 658 Ca -0.03 -1.43 -0.07 0.00 0.05 0.00 0.00 61.00 59.53 2iny s PRO 658 Cb -0.05 -2.51 0.10 0.00 0.05 0.00 0.00 34.50 32.10 2iny s PRO 658 CO -0.04 -0.20 0.26 -0.65 0.05 0.00 0.00 177.00 176.42 2iny s GLN 659 N -4.20 2.37 0.45 4.56 -1.52 -1.26 -5.08 119.66 114.98 2iny s GLN 659 Ca 0.50 -1.67 -0.25 0.00 -1.95 0.00 0.00 55.36 51.99 2iny s GLN 659 Cb -0.06 -3.74 -0.09 0.00 -0.22 0.00 0.00 33.01 28.91 2iny s GLN 659 CO 0.29 -1.06 1.35 1.28 -0.25 0.00 0.00 175.29 176.91 2iny n LEU 660 N 4.80 4.66 0.00 2.90 4.77 -1.26 -4.79 117.00 128.08 2iny n LEU 660 Ca -0.07 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 2iny n LEU 660 Cb 0.42 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 2iny n LEU 660 CO 0.38 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 2iny n GLY 661 N 0.70 -1.52 3.88 -0.72 0.00 -1.26 -5.04 105.19 101.23 2iny n GLY 661 Ca 0.06 0.60 -0.29 0.00 0.00 0.00 0.00 46.02 46.39 2iny n GLY 661 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iny s ALA 662 N -1.00 2.55 0.20 4.61 0.00 -1.26 -4.56 121.76 122.29 2iny s ALA 662 Ca 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.33 2iny s ALA 662 Cb 0.00 -2.98 0.40 0.00 0.00 0.00 0.00 23.12 20.54 2iny s ALA 662 CO 0.00 -1.72 1.06 0.00 0.00 0.00 0.00 175.76 175.11 2iny n GLN 663 N -3.36 -0.06 0.00 0.00 10.64 -1.26 -4.73 117.38 118.62 2iny n GLN 663 Ca 0.08 1.05 0.00 0.00 -1.83 0.00 0.00 57.00 56.29 2iny n GLN 663 Cb 0.60 -1.60 0.00 0.00 -0.86 0.00 0.00 30.24 28.38 2iny n GLN 663 CO 0.00 0.00 0.00 2.48 -1.83 0.00 0.00 177.06 177.71 2iny n TYR 664 N -5.03 0.00 -3.05 2.61 4.11 -1.26 -4.94 117.16 109.60 2iny n TYR 664 Ca 0.13 0.00 0.02 0.00 -0.00 0.00 0.00 57.90 58.05 2iny n TYR 664 Cb 0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 39.34 39.75 2iny n TYR 664 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2iny s ASP 665 N 1.25 -1.06 0.00 9.48 2.15 -1.26 -4.94 116.67 122.30 2iny s ASP 665 Ca 0.00 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 52.58 2iny s ASP 665 Cb 0.00 1.41 0.00 0.00 -0.30 0.00 0.00 42.92 44.03 2iny s ASP 665 CO 0.00 -0.13 0.86 0.55 -0.17 0.00 0.00 175.17 176.27 2iny n VAL 666 N 4.35 0.00 0.00 1.11 3.14 -1.26 -1.83 118.33 123.85 2iny n VAL 666 Ca 0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 2iny n VAL 666 Cb 0.59 -1.36 0.00 0.00 -1.06 0.00 0.00 33.84 32.01 2iny n VAL 666 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2iny n GLY 667 N 3.75 0.00 3.65 7.55 0.00 -1.26 -5.07 105.19 113.81 2iny n GLY 667 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2iny n GLY 667 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2iny s PHE 668 N -0.83 2.66 -0.49 1.61 5.36 -0.76 -4.90 117.98 120.63 2iny s PHE 668 Ca 0.00 0.86 0.08 0.00 -0.96 0.00 0.00 56.93 56.91 2iny s PHE 668 Cb 0.00 -3.67 0.34 0.00 -0.34 0.00 0.00 43.02 39.35 2iny s PHE 668 CO 0.00 -2.02 0.85 1.63 -1.46 0.00 0.00 175.22 174.22 2iny n LYS 669 N 6.89 2.29 -3.74 10.12 5.02 -1.26 -4.93 118.16 132.55 2iny n LYS 669 Ca 0.15 -4.24 -0.12 0.00 -2.02 0.00 0.00 58.31 52.07 2iny n LYS 669 Cb 0.45 -2.01 -0.12 0.00 -0.02 0.00 0.00 35.03 33.32 2iny n LYS 669 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 2iny s TYR 670 N -3.01 -0.35 -1.38 2.13 5.04 -1.26 -3.39 117.35 115.12 2iny s TYR 670 Ca 0.45 0.83 0.15 0.00 -2.44 0.00 0.00 57.07 56.06 2iny s TYR 670 Cb 0.31 0.09 0.38 0.00 0.35 0.00 0.00 41.96 43.09 2iny s TYR 670 CO -0.11 -0.22 1.30 0.43 -1.34 0.00 0.00 175.55 175.61 2iny n SER 671 N 3.81 3.14 -1.02 4.32 7.64 -1.26 -4.49 113.62 125.76 2iny n SER 671 Ca -0.21 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.72 2iny n SER 671 Cb 0.55 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2iny n SER 671 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2iny n GLY 672 N 0.90 0.96 3.81 0.23 0.00 -1.26 -1.12 105.19 108.71 2iny n GLY 672 Ca 0.15 -1.42 -0.25 0.00 0.00 0.00 0.00 46.02 44.49 2iny n GLY 672 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2iny s SER 673 N -1.00 5.56 -0.63 1.61 1.04 -1.26 -4.72 113.70 114.30 2iny s SER 673 Ca 0.00 -0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.32 2iny s SER 673 Cb 0.00 -1.46 0.16 0.00 0.10 0.00 0.00 66.02 64.82 2iny s SER 673 CO 0.00 0.05 0.41 -0.63 0.98 0.00 0.00 173.24 174.05 2iny s ILE 674 N -1.82 2.98 0.09 -1.02 -1.09 -1.26 -4.83 121.20 114.26 2iny s ILE 674 Ca 0.31 -3.70 0.23 0.00 -2.23 0.00 0.00 60.65 55.26 2iny s ILE 674 Cb -0.10 -2.99 0.23 0.00 -1.58 0.00 0.00 42.46 38.03 2iny s ILE 674 CO 0.24 -0.91 1.68 -0.65 -1.23 0.00 0.00 174.94 174.07 2iny h PRO 675 N 6.09 0.00 -0.19 2.79 0.11 -1.85 3.35 132.00 142.30 2iny h PRO 675 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2iny h PRO 675 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2iny h PRO 675 CO 0.72 0.00 0.00 0.98 -0.21 0.00 0.00 178.00 179.49 2iny n TYR 676 N -2.38 0.01 -1.88 0.65 9.36 -1.26 0.61 117.16 122.26 2iny n TYR 676 Ca -0.02 -0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.17 2iny n TYR 676 Cb 0.17 -0.02 -0.03 0.00 -0.63 0.00 0.00 39.34 38.83 2iny n TYR 676 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2iny n SER 677 N -0.39 -0.40 0.00 2.98 7.64 1.10 -4.57 113.62 119.99 2iny n SER 677 Ca 0.00 -1.25 0.00 0.00 1.01 0.00 0.00 58.87 58.64 2iny n SER 677 Cb 0.05 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 2iny n SER 677 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2iny n ASP 678 N 0.00 0.00 -1.97 6.43 5.68 -0.48 -4.49 116.55 121.72 2iny n ASP 678 Ca -0.11 -0.05 -0.19 0.00 -0.50 0.00 0.00 54.79 53.94 2iny n ASP 678 Cb 0.52 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.47 2iny n ASP 678 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2iny n GLY 679 N 0.00 0.17 1.56 6.12 0.00 0.20 -4.79 105.19 108.45 2iny n GLY 679 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2iny n GLY 679 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2iny n THR 680 N -3.61 1.48 -1.68 2.61 -2.24 -1.26 -4.06 114.28 105.53 2iny n THR 680 Ca -0.22 -0.35 -0.43 0.00 -2.27 0.00 0.00 64.05 60.79 2iny n THR 680 Cb 0.66 -1.34 -0.01 0.00 -2.10 0.00 0.00 70.33 67.54 2iny n THR 680 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2iny n PHE 681 N 1.52 2.04 -0.60 4.78 3.72 -1.26 -4.73 117.46 122.93 2iny n PHE 681 Ca 0.00 0.58 0.00 0.00 -0.05 0.00 0.00 57.45 57.98 2iny n PHE 681 Cb 0.39 -2.37 0.00 0.00 -0.94 0.00 0.00 39.48 36.55 2iny n PHE 681 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2iny n TYR 682 N 0.24 0.00 -3.32 1.38 0.18 -1.26 0.01 117.16 114.39 2iny n TYR 682 Ca 0.06 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.50 2iny n TYR 682 Cb 0.36 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.27 2iny n TYR 682 CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 2iny n LEU 683 N 0.00 4.79 0.00 -3.48 -0.00 -1.26 -4.66 117.00 112.40 2iny n LEU 683 Ca 0.00 -5.31 0.00 0.00 -0.00 0.00 0.00 56.01 50.70 2iny n LEU 683 Cb 0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 43.42 42.46 2iny n LEU 683 CO 0.00 1.84 -0.07 -1.20 -0.00 0.00 0.00 177.39 177.96 2iny n SER 684 N 1.28 0.62 -0.64 1.96 7.64 -1.26 -2.00 113.62 121.23 2iny n SER 684 Ca 0.27 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.17 2iny n SER 684 Cb 0.37 0.04 0.08 0.00 -1.01 0.00 0.00 64.21 63.69 2iny n SER 684 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2iny n HIS 685 N -1.15 0.36 0.30 1.43 1.44 -1.26 -3.17 115.22 113.16 2iny n HIS 685 Ca 0.00 -0.13 0.10 0.00 -2.01 0.00 0.00 57.72 55.68 2iny n HIS 685 Cb 0.07 -0.13 0.27 0.00 0.12 0.00 0.00 29.99 30.31 2iny n HIS 685 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2iny n THR 686 N 0.07 0.65 -2.80 0.61 -2.24 -1.26 -4.95 114.28 104.37 2iny n THR 686 Ca 0.05 -0.73 -0.32 0.00 -2.27 0.00 0.00 64.05 60.78 2iny n THR 686 Cb 0.35 0.54 -0.05 0.00 -2.10 0.00 0.00 70.33 69.07 2iny n THR 686 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2iny s PHE 687 N -1.35 3.38 0.00 4.78 0.40 -1.19 -0.75 117.98 123.26 2iny s PHE 687 Ca 0.39 1.39 0.00 0.00 -0.60 0.00 0.00 56.93 58.11 2iny s PHE 687 Cb 0.21 -2.70 0.00 0.00 0.51 0.00 0.00 43.02 41.04 2iny s PHE 687 CO 0.28 -0.12 0.00 0.54 0.70 0.00 0.00 175.22 176.62 2iny n ARG 688 N -0.90 0.00 -3.87 0.44 5.12 -1.24 -4.65 116.66 111.57 2iny n ARG 688 Ca 0.05 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.72 2iny n ARG 688 Cb 0.54 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.82 2iny n ARG 688 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2iny s SER 689 N 0.39 4.67 -0.49 0.55 0.15 -1.26 -2.02 113.70 115.68 2iny s SER 689 Ca 0.00 -1.16 0.06 0.00 0.70 0.00 0.00 55.95 55.56 2iny s SER 689 Cb 0.00 0.18 0.22 0.00 -1.71 0.00 0.00 66.02 64.71 2iny s SER 689 CO 0.00 -0.98 0.79 0.80 1.20 0.00 0.00 173.24 175.04 2iny n MET 690 N -1.68 0.66 -2.16 5.44 1.56 -1.23 -3.42 117.12 116.29 2iny n MET 690 Ca -0.01 -1.99 -0.42 0.00 -0.27 0.00 0.00 57.70 55.02 2iny n MET 690 Cb 0.64 -1.46 -0.03 0.00 2.15 0.00 0.00 33.22 34.51 2iny n MET 690 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2iny s SER 691 N -0.57 6.82 -0.28 6.12 0.01 -0.28 -4.30 113.70 121.22 2iny s SER 691 Ca 0.31 2.35 -0.02 0.00 1.31 0.00 0.00 55.95 59.91 2iny s SER 691 Cb 0.13 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.81 2iny s SER 691 CO -0.16 -0.65 -0.02 -0.69 0.41 0.00 0.00 173.24 172.13 2iny s VAL 692 N 1.00 2.98 -0.29 3.43 1.01 -1.26 0.77 120.40 128.04 2iny s VAL 692 Ca 0.64 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 61.41 2iny s VAL 692 Cb -0.37 -2.63 0.07 0.00 0.00 0.00 0.00 36.38 33.44 2iny s VAL 692 CO 0.31 0.01 -0.04 -0.76 0.00 0.00 0.00 175.10 174.62 2iny s LEU 693 N 1.29 3.86 -0.21 3.92 1.43 0.57 -3.12 118.68 126.42 2iny s LEU 693 Ca -0.03 -1.52 -0.20 0.00 -1.03 0.00 0.00 54.13 51.35 2iny s LEU 693 Cb -0.19 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 2iny s LEU 693 CO -0.02 -0.25 0.59 -0.36 0.23 0.00 0.00 176.35 176.54 2iny s PHE 694 N 1.11 3.36 -2.06 0.29 0.40 -1.03 -0.79 117.98 119.26 2iny s PHE 694 Ca -0.04 0.86 0.00 0.00 -0.60 0.00 0.00 56.93 57.15 2iny s PHE 694 Cb -0.20 -2.76 0.00 0.00 0.51 0.00 0.00 43.02 40.57 2iny s PHE 694 CO -0.04 -0.17 0.00 -0.25 0.70 0.00 0.00 175.22 175.45 2iny n ASP 695 N 5.06 -5.23 0.00 1.36 9.92 -1.05 -2.96 116.55 123.65 2iny n ASP 695 Ca -0.02 0.45 0.00 0.00 -0.53 0.00 0.00 54.79 54.68 2iny n ASP 695 Cb 0.50 -4.62 0.00 0.00 -0.64 0.00 0.00 41.12 36.36 2iny n ASP 695 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2iny n THR 696 N -2.44 0.00 -0.01 -3.53 -1.04 -1.26 -4.52 114.28 101.48 2iny n THR 696 Ca -0.20 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.80 2iny n THR 696 Cb 0.65 -0.28 -0.02 0.00 -1.82 0.00 0.00 70.33 68.86 2iny n THR 696 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2iny n SER 697 N 0.00 4.29 -4.44 8.00 3.41 -1.23 -5.04 113.62 118.62 2iny n SER 697 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 2iny n SER 697 Cb 0.00 0.61 -0.13 0.00 -0.26 0.00 0.00 64.21 64.42 2iny n SER 697 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2iny s ILE 698 N -2.08 2.74 0.08 -1.33 -1.09 -1.15 -5.08 121.20 113.29 2iny s ILE 698 Ca -0.01 -1.08 0.06 0.00 -2.23 0.00 0.00 60.65 57.39 2iny s ILE 698 Cb 0.01 -2.11 -0.04 0.00 -1.58 0.00 0.00 42.46 38.74 2iny s ILE 698 CO 0.12 0.42 -0.10 0.21 -1.23 0.00 0.00 174.94 174.36 2iny s ASN 699 N -1.18 4.41 -0.14 3.58 3.84 -1.26 -2.46 114.94 121.73 2iny s ASN 699 Ca 0.13 -0.33 0.01 0.00 0.21 0.00 0.00 52.86 52.88 2iny s ASN 699 Cb -0.10 -0.88 -0.00 0.00 -0.55 0.00 0.00 41.25 39.71 2iny s ASN 699 CO 0.03 0.21 -0.16 0.86 -2.79 0.00 0.00 177.10 175.25 2iny s TRP 700 N -1.15 2.77 -0.26 0.43 -0.00 -1.18 -3.55 118.94 115.99 2iny s TRP 700 Ca 0.20 -0.95 0.22 0.00 -0.00 0.00 0.00 56.10 55.56 2iny s TRP 700 Cb -0.11 -1.86 0.06 0.00 -0.00 0.00 0.00 33.47 31.56 2iny s TRP 700 CO 0.12 -0.41 1.16 -1.35 -0.00 0.00 0.00 176.95 176.47 2iny h PRO 701 N 7.12 0.00 0.00 5.86 0.11 -1.89 -3.41 132.00 139.79 2iny h PRO 701 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2iny h PRO 701 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2iny h PRO 701 CO 0.56 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 178.81 2iny n GLY 702 N 1.19 1.33 0.04 -0.55 0.00 -1.23 -4.86 105.19 101.11 2iny n GLY 702 Ca -0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2iny n GLY 702 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2iny n ASN 703 N 3.24 -0.01 -1.39 1.61 5.03 -1.26 -3.24 115.26 119.24 2iny n ASN 703 Ca 0.00 -0.01 0.00 0.00 0.87 0.00 0.00 54.58 55.44 2iny n ASN 703 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2iny n ASN 703 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 2iny n ASP 704 N 0.05 0.00 -0.12 6.41 5.75 -1.26 -4.75 116.55 122.63 2iny n ASP 704 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.57 2iny n ASP 704 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 2iny n ASP 704 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2iny n ARG 705 N -0.26 0.56 -3.34 0.11 1.74 -1.20 -4.96 116.66 109.31 2iny n ARG 705 Ca 0.00 0.25 -0.30 0.00 -0.77 0.00 0.00 57.85 57.02 2iny n ARG 705 Cb 0.00 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 29.93 2iny n ARG 705 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2iny s LEU 706 N -7.69 4.09 0.00 0.55 1.43 -1.26 -4.88 118.68 110.92 2iny s LEU 706 Ca -0.34 0.83 0.01 0.00 -1.03 0.00 0.00 54.13 53.60 2iny s LEU 706 Cb 0.10 -3.62 0.09 0.00 0.03 0.00 0.00 46.19 42.78 2iny s LEU 706 CO 0.46 -0.15 0.36 0.18 0.23 0.00 0.00 176.35 177.43 2iny n LEU 707 N -0.61 0.00 -3.04 1.79 4.77 -1.26 -2.86 117.00 115.79 2iny n LEU 707 Ca -0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.99 2iny n LEU 707 Cb 0.53 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2iny n LEU 707 CO 0.47 0.00 0.25 0.42 -1.33 0.00 0.00 177.39 177.20 2iny s THR 708 N -2.00 -0.67 -2.31 -5.08 -4.23 -1.26 -5.07 115.64 95.03 2iny s THR 708 Ca 0.02 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.75 2iny s THR 708 Cb 0.01 -0.09 0.48 0.00 1.34 0.00 0.00 72.50 74.25 2iny s THR 708 CO 0.02 0.00 1.45 -0.81 -0.54 0.00 0.00 174.62 174.74 2iny n PRO 709 N 4.27 2.45 -0.17 3.99 -0.04 -1.13 -4.22 135.00 140.15 2iny n PRO 709 Ca 0.08 -2.22 0.05 0.00 -0.04 0.00 0.00 63.50 61.38 2iny n PRO 709 Cb 0.59 -1.51 0.15 0.00 -0.04 0.00 0.00 33.50 32.70 2iny n PRO 709 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2iny n ASN 710 N 1.38 1.77 0.00 3.54 4.13 -1.26 -4.11 115.26 120.71 2iny n ASN 710 Ca 0.20 -1.99 0.00 0.00 1.68 0.00 0.00 54.58 54.47 2iny n ASN 710 Cb 0.57 -0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.59 2iny n ASN 710 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2iny n LEU 711 N 0.47 0.00 -4.77 3.41 -0.00 -1.26 -4.69 117.00 110.16 2iny n LEU 711 Ca 0.11 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.72 2iny n LEU 711 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.69 2iny n LEU 711 CO 0.08 0.00 1.01 -0.36 -0.00 0.00 0.00 177.39 178.12 2iny s PHE 712 N 0.00 2.85 0.21 1.47 0.40 -1.26 -4.85 117.98 116.80 2iny s PHE 712 Ca 0.00 1.35 -0.04 0.00 -0.60 0.00 0.00 56.93 57.65 2iny s PHE 712 Cb 0.00 -3.76 -0.05 0.00 0.51 0.00 0.00 43.02 39.72 2iny s PHE 712 CO 0.00 -2.23 0.44 -1.21 0.70 0.00 0.00 175.22 172.93 2iny s GLU 713 N -2.03 3.60 0.00 0.44 0.41 -1.26 -3.53 118.70 116.32 2iny s GLU 713 Ca 0.53 -0.13 0.00 0.00 -0.41 0.00 0.00 54.97 54.95 2iny s GLU 713 Cb -0.41 -2.77 0.00 0.00 -1.78 0.00 0.00 34.13 29.17 2iny s GLU 713 CO 0.54 0.36 0.00 -0.89 -0.49 0.00 0.00 175.26 174.78 2iny n ILE 714 N -0.50 0.00 -3.59 -1.63 5.41 -0.86 -3.99 119.36 114.20 2iny n ILE 714 Ca -0.03 -0.14 -0.04 0.00 1.00 0.00 0.00 62.75 63.54 2iny n ILE 714 Cb 0.53 0.62 -0.02 0.00 -0.71 0.00 0.00 39.64 40.06 2iny n ILE 714 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 2iny s LYS 715 N -1.42 0.53 -0.21 0.38 -2.85 -1.26 -4.15 119.74 110.76 2iny s LYS 715 Ca 0.00 -0.23 -0.06 0.00 -1.00 0.00 0.00 55.97 54.68 2iny s LYS 715 Cb 0.00 0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 35.96 2iny s LYS 715 CO 0.00 -0.23 0.03 -0.98 0.10 0.00 0.00 175.35 174.26 2iny s ARG 716 N -2.66 3.68 0.07 1.78 1.04 -1.24 -5.00 118.95 116.62 2iny s ARG 716 Ca 0.10 -0.48 -0.11 0.00 -1.04 0.00 0.00 55.73 54.20 2iny s ARG 716 Cb 0.00 -3.16 -0.06 0.00 -2.04 0.00 0.00 34.95 29.69 2iny s ARG 716 CO -0.05 0.00 0.20 -0.35 -0.04 0.00 0.00 175.30 175.07 2iny n PRO 717 N 4.30 0.00 0.00 3.89 -0.04 -1.26 -4.82 135.00 137.07 2iny n PRO 717 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2iny n PRO 717 Cb 0.52 -0.38 0.00 0.00 -0.04 0.00 0.00 33.50 33.60 2iny n PRO 717 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2iny n VAL 718 N 0.02 0.00 -1.69 0.52 0.24 -1.26 -4.01 118.33 112.16 2iny n VAL 718 Ca 0.07 0.71 -0.51 0.00 -2.04 0.00 0.00 64.34 62.57 2iny n VAL 718 Cb 0.09 -1.00 -0.05 0.00 -1.47 0.00 0.00 33.84 31.41 2iny n VAL 718 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2iny n ALA 719 N -1.61 0.53 -1.69 2.33 0.00 -1.26 -4.75 120.51 114.06 2iny n ALA 719 Ca 0.00 0.33 -0.51 0.00 0.00 0.00 0.00 53.44 53.26 2iny n ALA 719 Cb 0.00 -2.39 -0.05 0.00 0.00 0.00 0.00 19.45 17.00 2iny n ALA 719 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2iny n THR 720 N 4.79 0.50 0.00 0.00 -1.04 -1.26 -4.75 114.28 112.52 2iny n THR 720 Ca 0.23 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2iny n THR 720 Cb 0.24 -1.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.06 2iny n THR 720 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2iny n ASP 721 N 6.24 0.43 -2.42 8.00 8.00 -1.26 -4.86 116.55 130.68 2iny n ASP 721 Ca 0.24 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.40 2iny n ASP 721 Cb 0.25 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.41 2iny n ASP 721 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2iny n SER 722 N -2.40 7.12 0.26 -2.24 2.88 -1.26 -4.53 113.62 113.44 2iny n SER 722 Ca 0.00 -3.79 0.18 0.00 -1.33 0.00 0.00 58.87 53.93 2iny n SER 722 Cb 0.17 -0.88 0.92 0.00 -0.75 0.00 0.00 64.21 63.67 2iny n SER 722 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2iny h GLU 723 N 2.28 0.00 -0.00 -1.46 4.57 -1.96 0.14 114.58 118.14 2iny h GLU 723 Ca 0.55 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.73 2iny h GLU 723 Cb 0.75 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.33 2iny h GLU 723 CO 1.40 0.00 -0.00 0.78 -1.18 0.00 0.00 179.01 180.01 2iny h GLY 724 N 0.00 0.00 -2.84 1.92 0.00 -2.01 -3.22 103.07 96.92 2iny h GLY 724 Ca 0.05 -0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.17 2iny h GLY 724 CO -0.00 0.00 0.17 0.69 0.00 0.00 0.00 176.54 177.41 2iny n PHE 725 N -4.92 1.86 0.00 5.60 3.72 -0.58 -4.82 117.46 118.32 2iny n PHE 725 Ca -0.08 -1.32 0.00 0.00 -0.05 0.00 0.00 57.45 56.00 2iny n PHE 725 Cb 0.19 -0.59 0.00 0.00 -0.94 0.00 0.00 39.48 38.14 2iny n PHE 725 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2iny n THR 726 N -0.62 0.00 0.00 4.37 -2.24 0.39 -2.72 114.28 113.47 2iny n THR 726 Ca 0.37 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 2iny n THR 726 Cb 1.23 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 2iny n THR 726 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2iny n MET 727 N 0.00 0.00 0.00 -0.78 0.00 -1.10 -1.59 117.12 113.66 2iny n MET 727 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2iny n MET 727 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 2iny n MET 727 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2iny n SER 728 N 0.00 0.00 0.00 6.12 2.88 -1.26 -1.50 113.62 119.86 2iny n SER 728 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2iny n SER 728 Cb 0.00 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 2iny n SER 728 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2iny n GLN 729 N -1.69 0.00 -4.07 -1.46 6.02 -1.26 -5.07 117.38 109.84 2iny n GLN 729 Ca 0.00 0.01 -0.10 0.00 -0.01 0.00 0.00 57.00 56.90 2iny n GLN 729 Cb 0.00 -1.21 -0.08 0.00 1.02 0.00 0.00 30.24 29.97 2iny n GLN 729 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2iny n ASP 731 N -0.27 0.20 -4.71 0.00 9.92 -1.26 -3.37 116.55 117.07 2iny n ASP 731 Ca -0.02 0.57 -0.41 0.00 -0.53 0.00 0.00 54.79 54.40 2iny n ASP 731 Cb 0.64 -0.61 0.01 0.00 -0.64 0.00 0.00 41.12 40.52 2iny n ASP 731 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 2iny n MET 732 N -1.75 1.95 -3.22 -1.24 2.81 -1.26 -3.59 117.12 110.83 2iny n MET 732 Ca 0.01 0.69 -0.37 0.00 -1.81 0.00 0.00 57.70 56.23 2iny n MET 732 Cb 0.10 -2.40 -0.06 0.00 -0.71 0.00 0.00 33.22 30.15 2iny n MET 732 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2iny s THR 733 N -1.20 4.69 -0.92 2.03 -4.23 -1.23 -2.69 115.64 112.09 2iny s THR 733 Ca 0.61 1.14 0.00 0.00 -1.18 0.00 0.00 61.69 62.26 2iny s THR 733 Cb -0.50 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.49 2iny s THR 733 CO 0.58 0.31 0.74 0.29 -0.54 0.00 0.00 174.62 176.00 2iny n LYS 734 N 1.02 0.00 -0.08 3.99 5.02 -0.62 -0.74 118.16 126.74 2iny n LYS 734 Ca -0.05 0.27 -0.10 0.00 -2.02 0.00 0.00 58.31 56.41 2iny n LYS 734 Cb 0.51 -1.60 -0.05 0.00 -0.02 0.00 0.00 35.03 33.87 2iny n LYS 734 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2iny h ASP 735 N 0.00 0.00 -0.47 4.39 3.32 -1.87 -3.37 116.42 118.42 2iny h ASP 735 Ca 0.00 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 56.70 2iny h ASP 735 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2iny h ASP 735 CO 0.00 0.97 -0.23 -0.25 -1.72 0.00 0.00 179.24 178.01 2iny h TRP 736 N -1.00 1.14 -1.00 4.55 2.91 -1.07 -2.08 115.95 119.39 2iny h TRP 736 Ca -0.11 -0.28 0.28 0.00 1.13 0.00 0.00 58.89 59.91 2iny h TRP 736 Cb 0.73 -0.26 -0.13 0.00 -0.51 0.00 0.00 29.16 28.98 2iny h TRP 736 CO -0.07 1.11 0.59 0.35 -1.03 0.00 0.00 178.44 179.39 2iny h PHE 737 N 0.84 0.98 -1.02 2.65 3.57 -1.47 -2.69 116.94 119.79 2iny h PHE 737 Ca 0.10 0.04 -0.72 0.00 3.53 0.00 0.00 57.97 60.92 2iny h PHE 737 Cb 0.81 -0.27 -0.11 0.00 2.79 0.00 0.00 35.95 39.17 2iny h PHE 737 CO 0.05 -0.04 2.26 1.28 -2.23 0.00 0.00 178.31 179.64 2iny n LEU 738 N -4.95 6.10 0.03 0.59 4.32 -0.78 -2.54 117.00 119.76 2iny n LEU 738 Ca 0.29 -4.32 0.00 0.00 -0.02 0.00 0.00 56.01 51.96 2iny n LEU 738 Cb 0.85 -1.61 0.00 0.00 -1.62 0.00 0.00 43.42 41.04 2iny n LEU 738 CO 0.14 0.93 0.00 0.52 -1.22 0.00 0.00 177.39 177.75 2iny n VAL 739 N 4.71 0.00 0.37 4.08 0.31 -1.02 -4.69 118.33 122.09 2iny n VAL 739 Ca 0.45 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.81 2iny n VAL 739 Cb 0.40 0.00 0.18 0.00 -0.91 0.00 0.00 33.84 33.51 2iny n VAL 739 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2iny n GLN 740 N -2.28 0.18 0.00 5.55 1.13 -1.23 0.30 117.38 121.03 2iny n GLN 740 Ca 0.00 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 2iny n GLN 740 Cb 0.00 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.85 2iny n GLN 740 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 2iny n MET 741 N -1.04 -0.40 0.00 -1.09 1.56 -1.05 -4.47 117.12 110.63 2iny n MET 741 Ca 0.04 -0.44 -0.01 0.00 -0.27 0.00 0.00 57.70 57.02 2iny n MET 741 Cb 0.02 -0.94 -0.00 0.00 2.15 0.00 0.00 33.22 34.46 2iny n MET 741 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2iny n ALA 742 N -0.07 2.22 0.10 -5.12 0.00 0.86 -4.24 120.51 114.26 2iny n ALA 742 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.31 2iny n ALA 742 Cb 0.01 0.08 0.05 0.00 0.00 0.00 0.00 19.45 19.59 2iny n ALA 742 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2iny n THR 743 N -3.03 0.59 0.00 0.00 -1.04 0.12 -3.28 114.28 107.64 2iny n THR 743 Ca -0.02 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2iny n THR 743 Cb 0.06 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 2iny n THR 743 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2iny n ASN 744 N -1.16 0.00 -1.69 8.00 3.02 -1.24 -4.69 115.26 117.51 2iny n ASN 744 Ca 0.01 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.58 2iny n ASN 744 Cb 0.01 0.00 0.30 0.00 -0.61 0.00 0.00 39.78 39.49 2iny n ASN 744 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2iny n TYR 745 N 0.00 1.82 -0.35 3.10 4.01 -1.25 -4.89 117.16 119.59 2iny n TYR 745 Ca 0.00 -0.73 0.00 0.00 -0.16 0.00 0.00 57.90 57.01 2iny n TYR 745 Cb 0.00 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.54 2iny n TYR 745 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2iny n ASN 746 N 0.32 0.00 -4.82 7.72 4.13 -1.21 -4.84 115.26 116.57 2iny n ASN 746 Ca 0.26 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 56.15 2iny n ASN 746 Cb 1.09 -0.49 -0.06 0.00 -1.54 0.00 0.00 39.78 38.78 2iny n ASN 746 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2iny s TYR 747 N -0.35 3.57 0.00 3.10 2.02 -1.26 -4.80 117.35 119.62 2iny s TYR 747 Ca 0.00 0.63 0.00 0.00 -0.37 0.00 0.00 57.07 57.33 2iny s TYR 747 Cb 0.00 -2.14 0.00 0.00 -0.40 0.00 0.00 41.96 39.42 2iny s TYR 747 CO 0.00 0.55 0.00 1.55 -1.57 0.00 0.00 175.55 176.08 2iny n VAL 748 N 2.50 0.00 1.30 0.71 3.14 -1.04 -4.52 118.33 120.42 2iny n VAL 748 Ca -0.16 0.00 0.10 0.00 -2.96 0.00 0.00 64.34 61.32 2iny n VAL 748 Cb 0.53 0.00 0.62 0.00 -1.06 0.00 0.00 33.84 33.93 2iny n VAL 748 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 2iny n TYR 749 N 0.00 0.00 -2.00 1.45 4.01 -1.26 -4.06 117.16 115.29 2iny n TYR 749 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 2iny n TYR 749 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2iny n TYR 749 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2iny n ASN 750 N -1.01 -0.41 0.00 7.72 6.94 -1.26 -5.13 115.26 122.11 2iny n ASN 750 Ca 0.16 -0.97 0.00 0.00 -0.02 0.00 0.00 54.58 53.75 2iny n ASN 750 Cb 0.07 0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.65 2iny n ASN 750 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2iny n GLY 751 N -0.20 1.80 2.85 4.83 0.00 -1.26 -5.08 105.19 108.13 2iny n GLY 751 Ca -0.08 0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 2iny n GLY 751 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2iny n TYR 752 N 0.00 3.86 -4.30 1.61 4.01 -1.26 -2.49 117.16 118.59 2iny n TYR 752 Ca 0.00 -3.74 -0.23 0.00 -0.16 0.00 0.00 57.90 53.77 2iny n TYR 752 Cb 0.00 -0.49 -0.08 0.00 -0.31 0.00 0.00 39.34 38.47 2iny n TYR 752 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2iny s ARG 753 N -3.56 2.18 -0.94 -0.72 3.03 -1.26 -5.05 118.95 112.63 2iny s ARG 753 Ca 0.48 -1.55 -0.13 0.00 2.03 0.00 0.00 55.73 56.56 2iny s ARG 753 Cb 0.29 -2.06 -0.09 0.00 -1.03 0.00 0.00 34.95 32.06 2iny s ARG 753 CO -0.15 0.28 2.09 0.34 -1.13 0.00 0.00 175.30 176.73 2iny n PHE 754 N -0.90 1.81 0.00 5.89 -0.00 -1.26 -4.92 117.46 118.07 2iny n PHE 754 Ca -0.05 -2.04 0.00 0.00 -0.00 0.00 0.00 57.45 55.36 2iny n PHE 754 Cb 0.60 -1.80 0.00 0.00 -0.00 0.00 0.00 39.48 38.28 2iny n PHE 754 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 176.76 178.63 2iny n TRP 755 N 5.70 0.00 -1.60 -5.13 -0.00 -1.26 -4.23 117.44 110.92 2iny n TRP 755 Ca 0.49 0.00 -0.58 0.00 -0.00 0.00 0.00 57.50 57.40 2iny n TRP 755 Cb 0.27 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.50 2iny n TRP 755 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2iny n PRO 756 N 0.00 0.48 0.09 5.87 -0.04 -1.26 -4.70 135.00 135.44 2iny n PRO 756 Ca 0.00 0.17 0.01 0.00 -0.04 0.00 0.00 63.50 63.65 2iny n PRO 756 Cb 0.00 -1.74 0.07 0.00 -0.04 0.00 0.00 33.50 31.79 2iny n PRO 756 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2iny n ASP 757 N 2.76 0.07 0.13 3.54 2.03 -1.26 0.07 116.55 123.89 2iny n ASP 757 Ca 0.22 0.25 0.07 0.00 0.52 0.00 0.00 54.79 55.85 2iny n ASP 757 Cb 0.09 -0.15 0.36 0.00 -0.72 0.00 0.00 41.12 40.70 2iny n ASP 757 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2iny n ARG 758 N -1.52 0.09 -0.33 -0.67 5.12 -1.26 0.47 116.66 118.56 2iny n ARG 758 Ca -0.00 0.55 0.08 0.00 -1.93 0.00 0.00 57.85 56.55 2iny n ARG 758 Cb 0.50 -1.96 0.18 0.00 -1.16 0.00 0.00 32.46 30.02 2iny n ARG 758 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2iny n HIS 759 N -1.98 0.11 -3.46 -1.55 8.25 0.11 -4.86 115.22 111.84 2iny n HIS 759 Ca -0.01 -1.21 -0.27 0.00 -0.26 0.00 0.00 57.72 55.97 2iny n HIS 759 Cb 0.19 -0.21 -0.10 0.00 1.12 0.00 0.00 29.99 30.98 2iny n HIS 759 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2iny s TYR 760 N -3.03 1.40 0.00 4.41 1.51 1.71 -5.00 117.35 118.35 2iny s TYR 760 Ca 0.35 -2.43 0.00 0.00 -1.01 0.00 0.00 57.07 53.98 2iny s TYR 760 Cb 0.32 -1.15 0.00 0.00 -0.11 0.00 0.00 41.96 41.02 2iny s TYR 760 CO -0.01 -0.79 0.00 1.19 -1.11 0.00 0.00 175.55 174.83 2iny n PHE 761 N 2.78 0.00 0.00 2.71 3.72 -1.26 -4.82 117.46 120.59 2iny n PHE 761 Ca 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.68 2iny n PHE 761 Cb 0.46 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 2iny n PHE 761 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2iny n HIS 762 N 0.00 0.00 0.31 1.38 8.25 -1.26 -4.48 115.22 119.42 2iny n HIS 762 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2iny n HIS 762 Cb 0.00 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.02 2iny n HIS 762 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2iny n TYR 763 N -2.04 0.00 -1.15 4.41 4.01 -1.26 -4.80 117.16 116.33 2iny n TYR 763 Ca 0.00 -0.12 -0.30 0.00 -0.16 0.00 0.00 57.90 57.32 2iny n TYR 763 Cb 0.00 -0.12 0.12 0.00 -0.31 0.00 0.00 39.34 39.04 2iny n TYR 763 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2iny s ASP 764 N 0.57 3.78 -0.17 7.72 2.15 -1.26 -4.66 116.67 124.79 2iny s ASP 764 Ca 0.00 1.71 0.16 0.00 0.43 0.00 0.00 52.55 54.85 2iny s ASP 764 Cb 0.00 -2.37 -0.22 0.00 -0.30 0.00 0.00 42.92 40.03 2iny s ASP 764 CO 0.00 -2.48 0.07 0.33 -0.17 0.00 0.00 175.17 172.92 2iny n PHE 765 N -3.80 0.00 -0.06 -5.34 7.35 -1.26 -4.39 117.46 109.96 2iny n PHE 765 Ca 0.08 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.70 2iny n PHE 765 Cb 0.54 -0.88 -0.07 0.00 0.35 0.00 0.00 39.48 39.42 2iny n PHE 765 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2iny h LEU 766 N 0.00 0.00 -0.23 -2.13 -0.00 -1.92 -3.08 115.31 107.95 2iny h LEU 766 Ca -0.48 -0.52 -0.05 0.00 -0.00 0.00 0.00 57.88 56.84 2iny h LEU 766 Cb 2.08 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.73 2iny h LEU 766 CO 0.03 0.78 -0.03 -0.09 -0.00 0.00 0.00 178.44 179.12 2iny h ARG 767 N -1.00 0.43 0.00 1.13 9.65 -1.95 -1.99 114.38 120.65 2iny h ARG 767 Ca -0.01 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 2iny h ARG 767 Cb 0.54 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 2iny h ARG 767 CO -0.00 0.64 0.00 0.09 2.80 0.00 0.00 179.97 183.50 2iny n ASN 768 N -4.61 0.00 -4.61 -3.80 3.02 -1.26 -4.61 115.26 99.38 2iny n ASN 768 Ca -0.04 -0.27 -0.43 0.00 -0.03 0.00 0.00 54.58 53.81 2iny n ASN 768 Cb 0.27 -0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 2iny n ASN 768 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2iny s PHE 769 N -2.34 3.08 -0.15 3.10 5.99 -0.75 -3.73 117.98 123.19 2iny s PHE 769 Ca 0.24 0.89 0.02 0.00 0.00 0.00 0.00 56.93 58.08 2iny s PHE 769 Cb 0.14 -3.72 0.02 0.00 0.00 0.00 0.00 43.02 39.46 2iny s PHE 769 CO 0.28 -0.84 -0.19 0.34 -0.00 0.00 0.00 175.22 174.81 2iny s ASP 770 N 1.86 2.93 -0.32 6.13 2.15 -0.86 -4.94 116.67 123.61 2iny s ASP 770 Ca 0.41 -0.57 -0.10 0.00 0.43 0.00 0.00 52.55 52.72 2iny s ASP 770 Cb -0.12 -1.35 -0.00 0.00 -0.30 0.00 0.00 42.92 41.15 2iny s ASP 770 CO 0.19 0.02 0.17 -2.16 -0.17 0.00 0.00 175.17 173.22 2iny s PRO 771 N 1.10 3.30 0.47 4.34 0.04 -1.26 0.56 135.00 143.54 2iny s PRO 771 Ca -0.01 -0.75 0.07 0.00 0.04 0.00 0.00 61.00 60.35 2iny s PRO 771 Cb -0.14 -3.62 0.01 0.00 0.04 0.00 0.00 34.50 30.79 2iny s PRO 771 CO -0.07 -0.46 0.46 -1.64 0.04 0.00 0.00 177.00 175.34 2iny s MET 772 N 1.62 2.46 -0.29 4.56 1.00 -0.41 -4.95 119.30 123.28 2iny s MET 772 Ca 0.05 -1.64 -0.16 0.00 0.00 0.00 0.00 55.69 53.93 2iny s MET 772 Cb -0.17 -2.38 0.16 0.00 0.00 0.00 0.00 34.83 32.43 2iny s MET 772 CO 0.07 -0.40 1.02 0.45 0.00 0.00 0.00 175.02 176.17 2iny s SER 773 N -4.26 -0.44 -0.21 3.03 0.15 -1.26 -3.71 113.70 107.00 2iny s SER 773 Ca 0.47 0.69 -0.24 0.00 0.70 0.00 0.00 55.95 57.58 2iny s SER 773 Cb -0.04 1.20 0.06 0.00 -1.71 0.00 0.00 66.02 65.53 2iny s SER 773 CO 0.28 -0.11 0.65 -0.60 1.20 0.00 0.00 173.24 174.66 2iny s ARG 774 N 1.35 0.81 0.97 5.44 6.06 -0.73 -4.49 118.95 128.35 2iny s ARG 774 Ca -0.09 0.77 -0.15 0.00 -2.50 0.00 0.00 55.73 53.77 2iny s ARG 774 Cb -0.03 0.39 0.22 0.00 0.06 0.00 0.00 34.95 35.59 2iny s ARG 774 CO -0.14 -0.13 1.32 -0.65 -2.50 0.00 0.00 175.30 173.19 2iny s GLN 775 N 0.05 0.46 -0.79 5.12 1.11 -1.26 -0.24 119.66 124.12 2iny s GLN 775 Ca -0.02 -0.63 -0.25 0.00 0.01 0.00 0.00 55.36 54.46 2iny s GLN 775 Cb -0.04 -1.88 -0.07 0.00 -1.01 0.00 0.00 33.01 30.00 2iny s GLN 775 CO 0.02 -2.49 2.12 0.20 0.01 0.00 0.00 175.29 175.16 2iny s GLY 776 N -4.95 -0.19 0.00 3.09 0.00 -1.25 -4.82 107.32 99.19 2iny s GLY 776 Ca 0.76 -1.02 -0.02 0.00 0.00 0.00 0.00 44.72 44.43 2iny s GLY 776 CO 0.53 3.78 1.79 -1.55 0.00 0.00 0.00 173.10 177.65 2iny n PRO 777 N 8.91 0.89 0.00 2.90 -0.04 -1.26 0.42 135.00 146.81 2iny n PRO 777 Ca 0.39 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2iny n PRO 777 Cb 0.47 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 2iny n PRO 777 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2iny n ASN 778 N 2.36 0.00 -3.77 3.54 6.94 -1.26 -4.94 115.26 118.13 2iny n ASN 778 Ca 0.15 0.00 -0.22 0.00 -0.02 0.00 0.00 54.58 54.48 2iny n ASN 778 Cb 0.42 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.85 2iny n ASN 778 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2iny n PHE 779 N 0.00 -1.84 0.00 -2.53 -0.00 1.41 -4.19 117.46 110.32 2iny n PHE 779 Ca 0.00 0.81 0.00 0.00 -0.00 0.00 0.00 57.45 58.26 2iny n PHE 779 Cb 0.00 -4.20 0.00 0.00 -0.00 0.00 0.00 39.48 35.28 2iny n PHE 779 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 2iny n LEU 780 N -4.30 0.00 0.00 -2.13 7.94 -1.22 -4.72 117.00 112.58 2iny n LEU 780 Ca -0.30 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.55 2iny n LEU 780 Cb 0.68 0.00 0.03 0.00 0.53 0.00 0.00 43.42 44.66 2iny n LEU 780 CO 0.70 0.00 0.12 -0.90 -1.11 0.00 0.00 177.39 176.20 2iny n ASP 781 N -1.66 -0.37 -4.57 1.96 5.75 -1.26 -4.68 116.55 111.72 2iny n ASP 781 Ca 0.00 -0.92 -0.42 0.00 -0.01 0.00 0.00 54.79 53.44 2iny n ASP 781 Cb 0.00 -0.15 -0.01 0.00 -1.03 0.00 0.00 41.12 39.93 2iny n ASP 781 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2iny s THR 782 N -1.39 4.08 0.00 2.12 -4.23 -1.26 -4.45 115.64 110.50 2iny s THR 782 Ca 0.11 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 2iny s THR 782 Cb -0.01 -5.14 0.00 0.00 1.34 0.00 0.00 72.50 68.69 2iny s THR 782 CO 0.08 -1.98 0.00 0.41 -0.54 0.00 0.00 174.62 172.59 2iny n THR 783 N 6.52 0.00 0.00 3.99 -1.04 -1.26 -5.08 114.28 117.42 2iny n THR 783 Ca 0.43 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.44 2iny n THR 783 Cb 0.48 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 2iny n THR 783 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2iny n LEU 784 N -0.92 1.27 -2.83 -4.42 4.77 -1.26 -4.71 117.00 108.90 2iny n LEU 784 Ca 0.00 0.05 -0.27 0.00 -0.03 0.00 0.00 56.01 55.76 2iny n LEU 784 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 2iny n LEU 784 CO 0.00 0.00 1.38 0.00 -1.33 0.00 0.00 177.39 177.44 2iny n TYR 785 N -0.26 0.40 0.08 -1.77 9.36 -1.26 -4.68 117.16 119.02 2iny n TYR 785 Ca 0.00 0.27 0.18 0.00 3.32 0.00 0.00 57.90 61.67 2iny n TYR 785 Cb 0.00 -1.50 0.52 0.00 -0.63 0.00 0.00 39.34 37.73 2iny n TYR 785 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 2iny h ASP 786 N 7.38 0.00 -1.62 2.98 5.19 -1.94 -3.09 116.42 125.32 2iny h ASP 786 Ca -0.04 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 55.89 2iny h ASP 786 Cb 0.84 0.00 -0.34 0.00 0.18 0.00 0.00 39.33 40.00 2iny h ASP 786 CO 0.86 0.00 -1.00 0.18 -3.12 0.00 0.00 179.24 176.16 2iny n LEU 787 N -3.17 -0.36 -4.98 1.55 4.77 -1.26 -5.07 117.00 108.48 2iny n LEU 787 Ca 0.09 -4.46 -0.19 0.00 -0.03 0.00 0.00 56.01 51.42 2iny n LEU 787 Cb 0.95 0.69 -0.01 0.00 -2.33 0.00 0.00 43.42 42.71 2iny n LEU 787 CO 0.18 2.07 0.03 0.54 -1.33 0.00 0.00 177.39 178.89 2iny s VAL 788 N -0.92 4.32 0.03 4.08 0.11 -1.17 -5.13 120.40 121.71 2iny s VAL 788 Ca 0.35 -1.01 -0.29 0.00 -2.93 0.00 0.00 61.98 58.10 2iny s VAL 788 Cb 0.20 -3.50 0.10 0.00 -1.53 0.00 0.00 36.38 31.65 2iny s VAL 788 CO -0.13 -0.20 1.09 -0.94 -3.33 0.00 0.00 175.10 171.59 2iny s SER 789 N -4.12 -0.16 0.03 3.54 1.04 -1.26 -4.91 113.70 107.85 2iny s SER 789 Ca 0.42 -0.19 0.07 0.00 0.48 0.00 0.00 55.95 56.73 2iny s SER 789 Cb -0.09 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 2iny s SER 789 CO 0.30 -0.57 -0.19 -0.55 0.98 0.00 0.00 173.24 173.22 2iny s SER 790 N -2.77 3.75 -0.27 7.02 0.15 -1.26 -4.80 113.70 115.51 2iny s SER 790 Ca 0.11 -0.41 -0.01 0.00 0.70 0.00 0.00 55.95 56.35 2iny s SER 790 Cb 0.01 -0.61 0.14 0.00 -1.71 0.00 0.00 66.02 63.85 2iny s SER 790 CO -0.03 0.27 0.33 0.42 1.20 0.00 0.00 173.24 175.44 2iny s THR 791 N -0.88 -0.50 0.00 6.45 -4.23 -1.26 -5.10 115.64 110.12 2iny s THR 791 Ca 0.14 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 2iny s THR 791 Cb -0.10 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 72.82 2iny s THR 791 CO 0.04 -0.32 0.00 -2.65 -0.54 0.00 0.00 174.62 171.15 2iny n PRO 792 N 5.33 2.63 -0.11 3.99 -0.02 -1.26 -4.44 135.00 141.12 2iny n PRO 792 Ca -0.02 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.25 2iny n PRO 792 Cb 0.48 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.88 2iny n PRO 792 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2iny n VAL 793 N 0.00 1.51 0.08 -1.45 0.24 -1.26 -2.15 118.33 115.30 2iny n VAL 793 Ca 0.00 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 2iny n VAL 793 Cb 0.00 -2.07 0.00 0.00 -1.47 0.00 0.00 33.84 30.30 2iny n VAL 793 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2iny n VAL 794 N -4.38 0.59 -0.34 3.34 0.31 -1.26 -1.55 118.33 115.04 2iny n VAL 794 Ca -0.36 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2iny n VAL 794 Cb 0.70 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 2iny n VAL 794 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2iny n ASN 795 N 1.34 0.00 -4.60 4.52 6.94 -1.26 -5.01 115.26 117.19 2iny n ASN 795 Ca 0.00 -0.13 -0.44 0.00 -0.02 0.00 0.00 54.58 53.99 2iny n ASN 795 Cb 0.19 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.60 2iny n ASN 795 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2iny n ASP 796 N 0.00 1.31 -4.58 0.53 9.92 -0.59 -4.61 116.55 118.53 2iny n ASP 796 Ca 0.00 1.14 -0.30 0.00 -0.53 0.00 0.00 54.79 55.10 2iny n ASP 796 Cb 0.03 -1.31 -0.05 0.00 -0.64 0.00 0.00 41.12 39.15 2iny n ASP 796 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2iny s THR 797 N -1.13 3.61 0.00 -3.53 2.01 -1.26 -4.52 115.64 110.82 2iny s THR 797 Ca 0.59 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.59 2iny s THR 797 Cb -0.66 -4.62 0.00 0.00 0.01 0.00 0.00 72.50 67.24 2iny s THR 797 CO 0.59 -1.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.02 2iny n GLY 798 N 5.83 0.03 3.13 4.40 0.00 -1.26 -4.31 105.19 113.02 2iny n GLY 798 Ca 0.45 -1.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.36 2iny n GLY 798 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2iny n SER 799 N -0.97 -2.92 -0.35 1.61 7.64 -1.26 -4.32 113.62 113.04 2iny n SER 799 Ca 0.00 -0.02 0.32 0.00 1.01 0.00 0.00 58.87 60.18 2iny n SER 799 Cb 0.00 -0.74 0.56 0.00 -1.01 0.00 0.00 64.21 63.03 2iny n SER 799 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2iny n GLN 800 N 0.43 -0.04 -0.26 1.43 -0.06 -1.26 0.65 117.38 118.26 2iny n GLN 800 Ca -0.01 1.18 -0.00 0.00 -2.00 0.00 0.00 57.00 56.18 2iny n GLN 800 Cb 0.68 -2.22 -0.00 0.00 -4.06 0.00 0.00 30.24 24.64 2iny n GLN 800 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 2iny n PRO 801 N -4.79 0.53 0.00 3.69 -0.04 -1.26 -4.24 135.00 128.89 2iny n PRO 801 Ca 0.35 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 2iny n PRO 801 Cb 1.27 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 33.45 2iny n PRO 801 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2iny n SER 802 N 1.80 0.00 -1.10 3.54 3.41 0.21 -4.51 113.62 116.98 2iny n SER 802 Ca 0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.47 2iny n SER 802 Cb 0.26 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 2iny n SER 802 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2iny n GLN 803 N -0.78 0.00 0.00 4.33 6.02 -1.20 -4.32 117.38 121.43 2iny n GLN 803 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2iny n GLN 803 Cb 0.00 -0.39 0.00 0.00 1.02 0.00 0.00 30.24 30.87 2iny n GLN 803 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2iny n ASP 804 N 1.91 0.00 -0.69 1.08 9.92 -1.24 -3.17 116.55 124.36 2iny n ASP 804 Ca 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 2iny n ASP 804 Cb -0.01 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 2iny n ASP 804 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2iny n ASN 805 N 0.00 0.00 -0.13 -2.24 3.02 -1.26 -2.61 115.26 112.04 2iny n ASN 805 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2iny n ASN 805 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2iny n ASN 805 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2iny n VAL 806 N 0.24 0.00 0.00 2.41 0.31 -1.26 -4.95 118.33 115.08 2iny n VAL 806 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2iny n VAL 806 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2iny n VAL 806 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2iny n ARG 807 N 0.00 0.00 0.00 5.55 0.00 -1.26 -4.75 116.66 116.21 2iny n ARG 807 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2iny n ARG 807 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 32.46 31.45 2iny n ARG 807 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2iny n ASN 808 N 0.51 0.00 0.00 6.15 0.23 -1.07 -4.45 115.26 116.63 2iny n ASN 808 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2iny n ASN 808 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2iny n ASN 808 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2iny n ASN 809 N 2.97 0.00 0.00 0.53 0.23 -1.26 -3.92 115.26 113.82 2iny n ASN 809 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2iny n ASN 809 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2iny n ASN 809 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2iny n SER 810 N 0.00 0.00 0.00 0.53 3.41 -1.26 -2.43 113.62 113.87 2iny n SER 810 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2iny n SER 810 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2iny n SER 810 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2iny n GLY 811 N 0.00 1.09 0.17 5.00 0.00 -1.25 -3.85 105.19 106.36 2iny n GLY 811 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2iny n GLY 811 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2iny h PHE 812 N 0.00 0.00 0.00 1.61 3.57 -1.67 -3.37 116.94 117.09 2iny h PHE 812 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2iny h PHE 812 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2iny h PHE 812 CO 0.00 0.00 0.00 1.51 -2.23 0.00 0.00 178.31 177.59 2iny n ILE 813 N -2.91 0.00 -1.04 1.41 0.13 -1.26 -4.99 119.36 110.71 2iny n ILE 813 Ca 0.02 0.00 -0.30 0.00 -1.10 0.00 0.00 62.75 61.37 2iny n ILE 813 Cb 0.53 0.00 0.25 0.00 -0.84 0.00 0.00 39.64 39.58 2iny n ILE 813 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2iny s ALA 814 N -2.47 0.52 0.00 1.51 0.00 -1.26 -3.55 121.76 116.51 2iny s ALA 814 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2iny s ALA 814 Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.25 2iny s ALA 814 CO 0.00 -3.70 0.00 -0.35 0.00 0.00 0.00 175.76 171.71 2iny n PRO 815 N -4.85 3.50 -0.12 0.00 -0.04 -1.22 -3.94 135.00 128.33 2iny n PRO 815 Ca 0.14 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.34 2iny n PRO 815 Cb 0.60 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.95 2iny n PRO 815 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2iny n ARG 816 N 0.00 0.58 -0.89 0.54 5.12 -1.26 -4.61 116.66 116.13 2iny n ARG 816 Ca 0.00 0.42 -0.32 0.00 -1.93 0.00 0.00 57.85 56.02 2iny n ARG 816 Cb 0.00 -1.63 -0.03 0.00 -1.16 0.00 0.00 32.46 29.64 2iny n ARG 816 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2iny n SER 817 N -4.33 -0.53 -3.97 0.55 2.88 -1.26 -4.87 113.62 102.09 2iny n SER 817 Ca -0.43 0.71 -0.27 0.00 -1.33 0.00 0.00 58.87 57.55 2iny n SER 817 Cb 0.79 -0.59 0.15 0.00 -0.75 0.00 0.00 64.21 63.81 2iny n SER 817 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2iny n TRP 818 N 0.30 -1.78 -0.16 0.66 2.14 -1.26 -4.49 117.44 112.86 2iny n TRP 818 Ca 0.12 0.14 -0.05 0.00 2.07 0.00 0.00 57.50 59.77 2iny n TRP 818 Cb 0.12 -1.47 -0.02 0.00 -0.81 0.00 0.00 31.31 29.14 2iny n TRP 818 CO 0.00 0.00 0.00 -0.35 2.07 0.00 0.00 177.69 179.41 2iny n PRO 819 N -1.44 0.00 0.00 -2.67 -0.04 -1.26 -4.70 135.00 124.89 2iny n PRO 819 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2iny n PRO 819 Cb 0.53 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 2iny n PRO 819 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2iny n VAL 820 N 0.80 0.00 -2.27 0.52 3.14 -1.26 -5.04 118.33 114.22 2iny n VAL 820 Ca 0.07 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.35 2iny n VAL 820 Cb 0.00 -0.28 -0.01 0.00 -1.06 0.00 0.00 33.84 32.49 2iny n VAL 820 CO 0.00 0.00 0.00 1.87 -6.46 0.00 0.00 176.83 172.24 2iny n TRP 821 N -2.05 -1.38 0.00 1.45 -0.00 -1.26 -4.94 117.44 109.27 2iny n TRP 821 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2iny n TRP 821 Cb 0.01 -2.36 0.00 0.00 -0.00 0.00 0.00 31.31 28.97 2iny n TRP 821 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 2iny n THR 822 N -2.96 0.00 -0.78 5.87 -2.24 -1.26 -5.00 114.28 107.92 2iny n THR 822 Ca -0.11 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.34 2iny n THR 822 Cb 0.55 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.90 2iny n THR 822 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iny n ALA 823 N -3.00 -3.34 -3.43 6.98 0.00 -1.26 -4.79 120.51 111.66 2iny n ALA 823 Ca 0.00 -0.84 -0.37 0.00 0.00 0.00 0.00 53.44 52.23 2iny n ALA 823 Cb 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 19.45 17.76 2iny n ALA 823 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2iny n GLN 824 N -1.42 3.14 -0.70 0.00 10.64 -1.26 -4.15 117.38 123.63 2iny n GLN 824 Ca 0.04 -4.52 0.00 0.00 -1.83 0.00 0.00 57.00 50.69 2iny n GLN 824 Cb 0.57 -2.43 0.00 0.00 -0.86 0.00 0.00 30.24 27.52 2iny n GLN 824 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2iny n GLN 825 N 1.91 0.71 0.00 2.61 -0.06 -1.23 -4.86 117.38 116.47 2iny n GLN 825 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.24 2iny n GLN 825 Cb 0.37 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.55 2iny n GLN 825 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2iny n GLY 826 N 5.00 1.84 2.86 1.69 0.00 -1.26 -3.41 105.19 111.92 2iny n GLY 826 Ca 0.00 -2.05 -0.28 0.00 0.00 0.00 0.00 46.02 43.69 2iny n GLY 826 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2iny s GLU 827 N -1.46 1.27 0.00 1.61 4.04 -1.26 -4.66 118.70 118.24 2iny s GLU 827 Ca 0.00 -0.58 0.00 0.00 0.04 0.00 0.00 54.97 54.43 2iny s GLU 827 Cb 0.00 -2.12 0.00 0.00 0.02 0.00 0.00 34.13 32.03 2iny s GLU 827 CO 0.00 -0.51 0.59 0.00 -1.84 0.00 0.00 175.26 173.50 2iny n ALA 828 N 4.88 0.97 -2.79 -0.84 0.00 -1.25 -3.79 120.51 117.69 2iny n ALA 828 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.98 2iny n ALA 828 Cb 0.47 -2.24 -0.08 0.00 0.00 0.00 0.00 19.45 17.60 2iny n ALA 828 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2iny s TRP 829 N 3.35 3.37 0.33 0.00 -0.11 -1.26 -4.98 118.94 119.64 2iny s TRP 829 Ca 0.00 0.26 -0.25 0.00 1.22 0.00 0.00 56.10 57.32 2iny s TRP 829 Cb 0.00 -2.05 -0.14 0.00 -1.50 0.00 0.00 33.47 29.78 2iny s TRP 829 CO 0.00 0.34 0.67 -2.30 -4.62 0.00 0.00 176.95 171.04 2iny n PRO 830 N 3.10 0.67 -2.64 5.86 -0.02 -1.26 -4.50 135.00 136.22 2iny n PRO 830 Ca -0.17 0.24 -0.16 0.00 -2.02 0.00 0.00 63.50 61.39 2iny n PRO 830 Cb 0.53 -1.48 0.05 0.00 -0.02 0.00 0.00 33.50 32.58 2iny n PRO 830 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2iny n ALA 831 N -0.34 1.01 -0.00 3.55 0.00 -1.26 -5.02 120.51 118.44 2iny n ALA 831 Ca 0.12 -1.72 0.00 0.00 0.00 0.00 0.00 53.44 51.84 2iny n ALA 831 Cb 0.34 0.48 0.00 0.00 0.00 0.00 0.00 19.45 20.26 2iny n ALA 831 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2iny n ASN 832 N -2.44 0.01 -4.27 0.00 0.23 -1.26 -4.81 115.26 102.72 2iny n ASN 832 Ca 0.13 -0.36 -0.24 0.00 -0.53 0.00 0.00 54.58 53.58 2iny n ASN 832 Cb 0.49 0.69 -0.13 0.00 -2.08 0.00 0.00 39.78 38.75 2iny n ASN 832 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 2iny s TRP 833 N -0.69 1.76 -0.43 -2.53 -0.11 -1.26 -4.24 118.94 111.43 2iny s TRP 833 Ca 0.00 -0.40 -0.25 0.00 1.22 0.00 0.00 56.10 56.67 2iny s TRP 833 Cb 0.00 -0.99 0.02 0.00 -1.50 0.00 0.00 33.47 31.00 2iny s TRP 833 CO 0.00 0.16 0.87 -1.25 -4.62 0.00 0.00 176.95 172.11 2iny s PRO 834 N -1.67 3.57 0.30 5.86 0.04 -1.26 -3.25 135.00 138.58 2iny s PRO 834 Ca 0.06 0.17 -0.21 0.00 0.04 0.00 0.00 61.00 61.06 2iny s PRO 834 Cb -0.10 -3.90 -0.14 0.00 0.04 0.00 0.00 34.50 30.40 2iny s PRO 834 CO 0.03 -1.11 0.21 0.66 0.04 0.00 0.00 177.00 176.84 2iny n TYR 835 N 6.89 -1.38 -2.33 0.56 4.01 -1.26 -4.78 117.16 118.88 2iny n TYR 835 Ca 0.05 0.66 -0.41 0.00 -0.16 0.00 0.00 57.90 58.04 2iny n TYR 835 Cb 0.48 -1.64 -0.03 0.00 -0.31 0.00 0.00 39.34 37.84 2iny n TYR 835 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 2iny s PRO 836 N -0.89 4.46 -0.25 -0.72 0.02 -1.26 -4.93 135.00 131.42 2iny s PRO 836 Ca 0.54 1.93 0.12 0.00 0.02 0.00 0.00 61.00 63.61 2iny s PRO 836 Cb -0.66 -3.23 0.46 0.00 0.02 0.00 0.00 34.50 31.10 2iny s PRO 836 CO 0.54 -0.15 1.18 1.28 -0.33 0.00 0.00 177.00 179.52 2iny n LEU 837 N 2.60 3.64 0.00 -5.54 4.77 -1.26 -3.62 117.00 117.59 2iny n LEU 837 Ca 0.05 -4.09 0.00 0.00 -0.03 0.00 0.00 56.01 51.94 2iny n LEU 837 Cb 0.44 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2iny n LEU 837 CO 0.56 1.68 0.00 2.30 -1.33 0.00 0.00 177.39 180.60 2iny n ILE 838 N -0.68 0.00 0.00 -0.08 -5.35 -1.23 -4.93 119.36 107.09 2iny n ILE 838 Ca 0.30 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.78 2iny n ILE 838 Cb 0.90 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 2iny n ILE 838 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2iny n GLY 839 N 0.00 0.02 0.10 3.28 0.00 -1.26 -3.72 105.19 103.61 2iny n GLY 839 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2iny n GLY 839 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2iny h ASN 840 N 0.00 0.15 -2.83 1.61 -1.24 -2.01 -3.46 115.58 107.81 2iny h ASN 840 Ca 0.00 -0.33 -0.47 0.00 0.71 0.00 0.00 56.30 56.22 2iny h ASN 840 Cb 0.00 -0.05 0.02 0.00 0.73 0.00 0.00 38.32 39.02 2iny h ASN 840 CO 0.00 1.29 -0.10 -1.81 -1.29 0.00 0.00 177.43 175.52 2iny s ASP 841 N -6.45 5.99 0.00 1.15 1.11 -1.24 -5.03 116.67 112.19 2iny s ASP 841 Ca -0.10 0.38 0.00 0.00 0.18 0.00 0.00 52.55 53.01 2iny s ASP 841 Cb 0.08 -1.72 0.00 0.00 1.07 0.00 0.00 42.92 42.34 2iny s ASP 841 CO 0.81 -0.58 0.00 0.00 1.18 0.00 0.00 175.17 176.58 2iny n ALA 842 N -2.02 0.00 0.00 5.23 0.00 -1.24 -3.49 120.51 119.00 2iny n ALA 842 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2iny n ALA 842 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2iny n ALA 842 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2iny n ILE 843 N 0.75 0.00 -2.56 0.00 3.06 -1.26 -4.82 119.36 114.53 2iny n ILE 843 Ca 0.00 0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 59.84 2iny n ILE 843 Cb 0.00 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.15 2iny n ILE 843 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 2iny s SER 844 N 0.00 6.19 0.00 9.51 0.01 -1.25 -4.62 113.70 123.55 2iny s SER 844 Ca 0.00 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2iny s SER 844 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2iny s SER 844 CO 0.00 -1.79 0.00 -0.24 0.41 0.00 0.00 173.24 171.62 2iny n SER 845 N 9.26 0.00 0.00 2.44 2.88 -1.26 0.22 113.62 127.16 2iny n SER 845 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2iny n SER 845 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 2iny n SER 845 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2iny n ASN 846 N 0.58 0.00 -3.61 -3.46 3.02 -1.26 -4.88 115.26 105.64 2iny n ASN 846 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.51 2iny n ASN 846 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 2iny n ASN 846 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2iny s GLN 847 N 0.00 0.22 0.24 3.52 1.03 0.60 -4.97 119.66 120.30 2iny s GLN 847 Ca 0.00 -0.05 -0.20 0.00 0.04 0.00 0.00 55.36 55.15 2iny s GLN 847 Cb 0.00 0.10 -0.13 0.00 0.03 0.00 0.00 33.01 33.01 2iny s GLN 847 CO 0.00 -0.09 0.26 0.25 -2.54 0.00 0.00 175.29 173.17 2iny n THR 848 N 0.10 1.11 -2.08 3.63 -2.24 -1.23 -3.75 114.28 109.82 2iny n THR 848 Ca 0.01 -0.41 -0.29 0.00 -2.27 0.00 0.00 64.05 61.09 2iny n THR 848 Cb 0.58 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.84 2iny n THR 848 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2iny s VAL 849 N -1.07 3.87 -0.14 2.28 0.11 -1.26 -4.85 120.40 119.34 2iny s VAL 849 Ca 0.50 0.40 0.00 0.00 -2.93 0.00 0.00 61.98 59.95 2iny s VAL 849 Cb -0.64 -3.57 0.02 0.00 -1.53 0.00 0.00 36.38 30.66 2iny s VAL 849 CO 0.48 -0.70 -0.12 0.21 -3.33 0.00 0.00 175.10 171.65 2iny s ASN 850 N -4.29 2.53 -0.57 3.54 3.04 -1.26 -3.96 114.94 113.97 2iny s ASN 850 Ca 0.56 -0.44 -0.17 0.00 0.04 0.00 0.00 52.86 52.85 2iny s ASN 850 Cb -0.11 -1.06 0.13 0.00 -1.54 0.00 0.00 41.25 38.67 2iny s ASN 850 CO 0.50 -0.08 0.56 -0.31 -3.04 0.00 0.00 177.10 174.73 2iny s TYR 851 N 1.57 3.21 -0.33 0.43 2.02 0.67 -4.86 117.35 120.06 2iny s TYR 851 Ca 0.05 -1.24 -0.14 0.00 -0.37 0.00 0.00 57.07 55.36 2iny s TYR 851 Cb -0.13 -3.86 -0.02 0.00 -0.40 0.00 0.00 41.96 37.56 2iny s TYR 851 CO -0.10 -1.09 0.31 0.15 -1.57 0.00 0.00 175.55 173.25 2iny s LYS 852 N 1.80 3.64 0.26 -0.62 1.02 -1.26 -1.77 119.74 122.81 2iny s LYS 852 Ca 0.06 -0.43 0.03 0.00 0.02 0.00 0.00 55.97 55.66 2iny s LYS 852 Cb -0.28 -3.77 -0.06 0.00 -0.52 0.00 0.00 37.83 33.21 2iny s LYS 852 CO 0.03 -0.43 0.02 -1.59 -0.92 0.00 0.00 175.35 172.46 2iny s LYS 853 N 1.90 1.44 0.33 1.68 -2.85 -1.24 -4.60 119.74 116.40 2iny s LYS 853 Ca 0.10 -1.75 0.04 0.00 -1.00 0.00 0.00 55.97 53.35 2iny s LYS 853 Cb -0.17 -0.67 -0.03 0.00 -2.06 0.00 0.00 37.83 34.90 2iny s LYS 853 CO 0.11 -0.14 0.16 -0.59 0.10 0.00 0.00 175.35 174.99 2iny s PHE 854 N -3.41 1.68 0.13 1.78 -0.00 -1.26 -1.29 117.98 115.61 2iny s PHE 854 Ca 0.32 -1.36 -0.00 0.00 -0.00 0.00 0.00 56.93 55.89 2iny s PHE 854 Cb 0.07 -0.94 -0.04 0.00 -0.00 0.00 0.00 43.02 42.11 2iny s PHE 854 CO 0.11 -0.48 0.02 -1.17 -0.00 0.00 0.00 175.22 173.71 2iny s LEU 855 N -3.44 2.00 -0.29 -1.99 0.20 2.24 -4.79 118.68 112.61 2iny s LEU 855 Ca 0.33 -1.16 -0.16 0.00 0.69 0.00 0.00 54.13 53.83 2iny s LEU 855 Cb 0.04 0.16 0.15 0.00 -0.43 0.00 0.00 46.19 46.12 2iny s LEU 855 CO 0.18 -0.65 0.99 0.00 -0.29 0.00 0.00 176.35 176.57 2iny s ASP 857 N 1.43 0.57 -0.56 0.00 1.01 -1.24 -4.49 116.67 113.39 2iny s ASP 857 Ca -0.08 -1.43 -0.15 0.00 0.71 0.00 0.00 52.55 51.59 2iny s ASP 857 Cb -0.04 0.35 0.02 0.00 1.01 0.00 0.00 42.92 44.27 2iny s ASP 857 CO -0.15 -0.84 0.54 0.59 0.21 0.00 0.00 175.17 175.52 2iny n ASN 858 N -0.45 -4.31 0.00 0.27 3.02 0.10 -4.83 115.26 109.06 2iny n ASN 858 Ca 0.02 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 2iny n ASN 858 Cb 0.66 -1.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.48 2iny n ASN 858 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2iny n TYR 859 N -1.34 0.00 -3.50 3.10 9.36 -1.26 -4.15 117.16 119.38 2iny n TYR 859 Ca -0.19 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.03 2iny n TYR 859 Cb 0.59 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.30 2iny n TYR 859 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2iny n LEU 860 N 0.00 0.00 -4.32 2.98 4.77 -1.26 -4.75 117.00 114.42 2iny n LEU 860 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 2iny n LEU 860 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 2iny n LEU 860 CO 0.00 0.00 -0.49 0.26 -1.33 0.00 0.00 177.39 175.83 2iny s TRP 861 N -1.32 1.82 -0.30 -1.77 0.23 -1.00 -4.89 118.94 111.71 2iny s TRP 861 Ca 0.00 -0.45 -0.10 0.00 -2.03 0.00 0.00 56.10 53.52 2iny s TRP 861 Cb 0.00 -0.93 0.14 0.00 0.03 0.00 0.00 33.47 32.71 2iny s TRP 861 CO 0.00 0.30 0.68 0.95 0.96 0.00 0.00 176.95 179.84 2iny s THR 862 N -1.80 -0.94 0.39 2.01 -4.23 -1.22 0.12 115.64 109.97 2iny s THR 862 Ca 0.13 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 60.64 2iny s THR 862 Cb -0.07 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.75 2iny s THR 862 CO 0.06 0.00 0.61 -0.69 -0.54 0.00 0.00 174.62 174.06 2iny s VAL 863 N 2.85 4.79 -0.24 2.29 1.01 0.20 -4.70 120.40 126.59 2iny s VAL 863 Ca -0.03 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.58 2iny s VAL 863 Cb -0.12 -3.76 0.04 0.00 0.00 0.00 0.00 36.38 32.55 2iny s VAL 863 CO -0.19 -0.54 -0.11 -2.16 0.00 0.00 0.00 175.10 172.10 2iny s PRO 864 N -4.44 2.54 -0.86 2.72 0.04 -1.26 -2.77 135.00 130.97 2iny s PRO 864 Ca 0.43 -1.15 -0.22 0.00 0.04 0.00 0.00 61.00 60.10 2iny s PRO 864 Cb -0.10 -2.85 -0.19 0.00 0.04 0.00 0.00 34.50 31.40 2iny s PRO 864 CO 0.38 -0.46 1.95 0.34 0.04 0.00 0.00 177.00 179.25 2iny n PHE 865 N 4.53 0.74 -3.64 0.56 7.35 0.66 -4.69 117.46 122.98 2iny n PHE 865 Ca -0.16 -0.11 -0.07 0.00 -0.76 0.00 0.00 57.45 56.35 2iny n PHE 865 Cb 0.45 -2.18 0.01 0.00 0.35 0.00 0.00 39.48 38.10 2iny n PHE 865 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2iny n SER 866 N 16.79 -1.33 -0.04 -2.13 7.64 -1.26 -4.19 113.62 129.10 2iny n SER 866 Ca 0.35 -2.12 -0.03 0.00 1.01 0.00 0.00 58.87 58.09 2iny n SER 866 Cb 0.46 2.27 -0.01 0.00 -1.01 0.00 0.00 64.21 65.92 2iny n SER 866 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2iny h SER 867 N 1.31 0.00 0.49 6.43 0.02 -1.94 -3.42 113.55 116.44 2iny h SER 867 Ca -0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2iny h SER 867 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 2iny h SER 867 CO 0.27 0.42 -0.13 -0.90 -1.14 0.00 0.00 176.83 175.35 2iny n ASP 868 N -3.58 0.36 0.00 3.07 5.68 -1.26 -4.95 116.55 115.88 2iny n ASP 868 Ca -0.04 -0.34 0.00 0.00 -0.50 0.00 0.00 54.79 53.91 2iny n ASP 868 Cb 0.14 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 2iny n ASP 868 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2iny n PHE 869 N -1.13 0.00 -2.26 2.11 3.01 -1.26 -5.00 117.46 112.94 2iny n PHE 869 Ca 0.12 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.33 2iny n PHE 869 Cb 0.29 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.84 2iny n PHE 869 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 2iny s MET 870 N -0.19 2.03 -0.34 -1.08 -1.94 -1.26 -0.72 119.30 115.81 2iny s MET 870 Ca 0.00 -0.41 -0.14 0.00 -1.71 0.00 0.00 55.69 53.42 2iny s MET 870 Cb 0.00 -2.19 -0.02 0.00 2.01 0.00 0.00 34.83 34.64 2iny s MET 870 CO 0.00 -1.32 0.33 -0.47 -0.01 0.00 0.00 175.02 173.55 2iny s TYR 871 N -3.25 3.22 -0.02 -0.03 5.04 -1.26 -4.86 117.35 116.19 2iny s TYR 871 Ca 0.62 -0.04 0.01 0.00 -2.44 0.00 0.00 57.07 55.21 2iny s TYR 871 Cb -0.09 -2.61 -0.02 0.00 0.35 0.00 0.00 41.96 39.59 2iny s TYR 871 CO 0.45 -0.39 -0.01 -1.33 -1.34 0.00 0.00 175.55 172.92 2iny n MET 872 N 5.30 1.25 -4.15 4.97 2.81 -1.26 -5.02 117.12 121.02 2iny n MET 872 Ca -0.10 0.01 -0.10 0.00 -1.81 0.00 0.00 57.70 55.70 2iny n MET 872 Cb 0.50 -1.04 -0.10 0.00 -0.71 0.00 0.00 33.22 31.86 2iny n MET 872 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2iny s GLY 873 N -3.88 0.92 0.02 3.03 0.00 -1.26 -5.08 107.32 101.07 2iny s GLY 873 Ca -0.02 -1.44 -0.26 0.00 0.00 0.00 0.00 44.72 43.00 2iny s GLY 873 CO 0.06 -1.39 1.15 -2.09 0.00 0.00 0.00 173.10 170.83 2iny h GLU 874 N 2.89 -0.91 -6.24 2.90 4.57 -2.01 -3.42 114.58 112.36 2iny h GLU 874 Ca -0.35 0.06 -0.57 0.00 -1.18 0.00 0.00 59.36 57.32 2iny h GLU 874 Cb 1.19 0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 29.95 2iny h GLU 874 CO 0.61 -0.60 -0.25 -0.48 -1.18 0.00 0.00 179.01 177.11 2iny s LEU 875 N -9.12 4.24 0.28 1.64 2.34 -1.26 -4.91 118.68 111.89 2iny s LEU 875 Ca -0.14 0.70 -0.25 0.00 0.06 0.00 0.00 54.13 54.51 2iny s LEU 875 Cb 0.01 -3.40 -0.09 0.00 -0.56 0.00 0.00 46.19 42.15 2iny s LEU 875 CO 0.41 0.02 0.88 0.42 -1.06 0.00 0.00 176.35 177.02 2iny s THR 876 N -1.69 4.31 0.19 5.48 -4.23 -1.26 -4.90 115.64 113.54 2iny s THR 876 Ca 0.42 1.69 0.22 0.00 -1.18 0.00 0.00 61.69 62.85 2iny s THR 876 Cb -0.12 -4.00 0.22 0.00 1.34 0.00 0.00 72.50 69.94 2iny s THR 876 CO 0.23 0.21 1.64 0.44 -0.54 0.00 0.00 174.62 176.60 2iny h ASP 877 N 3.37 0.00 0.22 3.99 3.32 -1.95 3.41 116.42 128.79 2iny h ASP 877 Ca -0.47 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.25 2iny h ASP 877 Cb 1.19 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.77 2iny h ASP 877 CO 0.65 0.00 -1.54 -0.07 -1.72 0.00 0.00 179.24 176.56 2iny h LEU 878 N 0.00 0.74 0.11 1.55 -0.00 -1.91 -3.15 115.31 112.65 2iny h LEU 878 Ca 0.00 -0.93 -0.01 0.00 -0.00 0.00 0.00 57.88 56.95 2iny h LEU 878 Cb 0.42 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.85 2iny h LEU 878 CO 0.00 1.72 -0.05 1.23 -0.00 0.00 0.00 178.44 181.34 2iny h GLY 879 N 0.29 -0.16 -0.35 0.83 0.00 0.58 -2.78 103.07 101.48 2iny h GLY 879 Ca -0.29 0.06 0.34 0.00 0.00 0.00 0.00 47.33 47.44 2iny h GLY 879 CO 0.23 -0.06 0.85 1.46 0.00 0.00 0.00 176.54 179.02 2iny h GLN 880 N -0.53 0.00 -6.36 4.80 1.08 0.02 -3.32 115.11 110.81 2iny h GLN 880 Ca -0.02 0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.57 2iny h GLN 880 Cb 0.43 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.89 2iny h GLN 880 CO 0.03 0.00 0.92 -1.71 -0.95 0.00 0.00 178.83 177.11 2iny n ASN 881 N -4.14 3.10 0.01 1.46 4.05 -1.05 -4.76 115.26 113.93 2iny n ASN 881 Ca 0.25 1.03 0.04 0.00 0.45 0.00 0.00 54.58 56.36 2iny n ASN 881 Cb 1.24 -1.36 0.19 0.00 1.23 0.00 0.00 39.78 41.08 2iny n ASN 881 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 2iny n PRO 882 N 4.98 0.01 -0.14 1.20 -0.02 -1.26 0.09 135.00 139.87 2iny n PRO 882 Ca 0.20 0.39 0.09 0.00 -2.02 0.00 0.00 63.50 62.16 2iny n PRO 882 Cb 0.27 -1.54 0.29 0.00 -0.02 0.00 0.00 33.50 32.50 2iny n PRO 882 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2iny n MET 883 N -1.57 1.88 0.00 -0.52 2.81 -1.26 0.45 117.12 118.91 2iny n MET 883 Ca 0.02 -1.34 0.00 0.00 -1.81 0.00 0.00 57.70 54.56 2iny n MET 883 Cb 0.09 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 2iny n MET 883 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2iny n TYR 884 N 0.57 0.00 -0.12 2.03 4.01 -0.28 -4.65 117.16 118.72 2iny n TYR 884 Ca 0.16 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.66 2iny n TYR 884 Cb 0.36 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.30 2iny n TYR 884 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2iny n THR 885 N -0.11 1.36 0.00 -0.72 -1.04 0.11 -3.71 114.28 110.17 2iny n THR 885 Ca 0.00 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 2iny n THR 885 Cb 0.10 -1.67 0.00 0.00 -1.82 0.00 0.00 70.33 66.94 2iny n THR 885 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2iny n ASN 886 N -3.82 0.00 -3.64 8.00 3.02 1.56 -4.85 115.26 115.54 2iny n ASN 886 Ca -0.47 0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 53.62 2iny n ASN 886 Cb 0.88 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.99 2iny n ASN 886 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2iny n ASN 887 N 0.00 -0.23 -3.01 6.41 5.15 -1.26 -4.89 115.26 117.44 2iny n ASN 887 Ca 0.00 0.94 -0.01 0.00 -0.60 0.00 0.00 54.58 54.91 2iny n ASN 887 Cb 0.00 -0.75 0.01 0.00 -0.53 0.00 0.00 39.78 38.50 2iny n ASN 887 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2iny n SER 888 N 1.31 -1.68 0.00 1.20 3.41 -1.26 -4.66 113.62 111.94 2iny n SER 888 Ca 0.16 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2iny n SER 888 Cb 0.09 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2iny n SER 888 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2iny n HIS 889 N -2.87 0.00 -3.87 7.33 8.25 -0.12 -4.94 115.22 118.99 2iny n HIS 889 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 2iny n HIS 889 Cb 0.01 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.13 2iny n HIS 889 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2iny s SER 890 N 1.50 -0.02 -0.12 0.41 0.15 -1.26 -1.65 113.70 112.72 2iny s SER 890 Ca 0.00 -0.50 -0.30 0.00 0.70 0.00 0.00 55.95 55.85 2iny s SER 890 Cb 0.00 0.39 0.12 0.00 -1.71 0.00 0.00 66.02 64.82 2iny s SER 890 CO 0.00 -0.76 0.99 -0.32 1.20 0.00 0.00 173.24 174.34 2iny s MET 891 N -2.25 0.63 -0.19 5.44 1.75 -0.97 -2.54 119.30 121.17 2iny s MET 891 Ca 0.22 -0.01 -0.05 0.00 -1.25 0.00 0.00 55.69 54.60 2iny s MET 891 Cb -0.01 0.29 0.09 0.00 2.84 0.00 0.00 34.83 38.04 2iny s MET 891 CO 0.03 -0.23 0.35 0.08 -0.65 0.00 0.00 175.02 174.60 2iny s VAL 892 N -1.82 -0.56 -0.19 10.11 1.01 0.03 0.45 120.40 129.44 2iny s VAL 892 Ca 0.01 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 2iny s VAL 892 Cb -0.01 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 2iny s VAL 892 CO -0.02 0.02 -0.03 -0.63 0.00 0.00 0.00 175.10 174.44 2iny s ILE 893 N 2.53 3.75 0.18 2.22 1.09 -0.59 -0.31 121.20 130.07 2iny s ILE 893 Ca 0.03 -0.39 0.08 0.00 -1.10 0.00 0.00 60.65 59.27 2iny s ILE 893 Cb -0.13 -2.67 -0.04 0.00 -1.06 0.00 0.00 42.46 38.55 2iny s ILE 893 CO -0.12 0.45 -0.01 0.21 -0.10 0.00 0.00 174.94 175.37 2iny s ASN 894 N 0.86 4.70 0.40 3.58 3.84 0.23 -1.30 114.94 127.24 2iny s ASN 894 Ca -0.00 -0.43 0.04 0.00 0.21 0.00 0.00 52.86 52.68 2iny s ASN 894 Cb -0.14 -0.97 -0.03 0.00 -0.55 0.00 0.00 41.25 39.56 2iny s ASN 894 CO 0.02 0.09 0.14 -0.36 -2.79 0.00 0.00 177.10 174.20 2iny s PHE 895 N -1.74 1.78 -0.39 0.43 2.99 -0.68 -1.12 117.98 119.24 2iny s PHE 895 Ca 0.27 -1.31 0.11 0.00 0.00 0.00 0.00 56.93 56.00 2iny s PHE 895 Cb -0.09 -1.11 0.37 0.00 0.00 0.00 0.00 43.02 42.19 2iny s PHE 895 CO 0.18 -0.35 1.01 -1.91 -0.00 0.00 0.00 175.22 174.15 2iny n GLU 896 N -0.87 1.06 -0.92 0.44 2.13 -1.22 0.16 120.64 121.43 2iny n GLU 896 Ca -0.05 -2.63 -0.35 0.00 0.66 0.00 0.00 57.16 54.79 2iny n GLU 896 Cb 0.65 -1.11 0.07 0.00 0.27 0.00 0.00 31.44 31.32 2iny n GLU 896 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2iny n LEU 897 N 0.08 -3.72 -4.62 4.31 7.99 0.96 -3.62 117.00 118.38 2iny n LEU 897 Ca 0.11 0.18 -0.39 0.00 -0.01 0.00 0.00 56.01 55.91 2iny n LEU 897 Cb 0.74 -0.88 -0.09 0.00 -0.11 0.00 0.00 43.42 43.08 2iny n LEU 897 CO 0.12 -4.74 0.06 -1.81 -1.51 0.00 0.00 177.39 169.51 2iny s ASP 898 N -1.36 6.28 0.00 -1.43 1.11 0.07 -4.63 116.67 116.71 2iny s ASP 898 Ca 0.46 0.32 0.00 0.00 0.18 0.00 0.00 52.55 53.51 2iny s ASP 898 Cb -0.15 -2.21 0.00 0.00 1.07 0.00 0.00 42.92 41.63 2iny s ASP 898 CO 0.75 -0.15 0.00 -0.81 1.18 0.00 0.00 175.17 176.14 2iny n PRO 899 N 5.10 0.00 -3.96 8.23 -0.04 -1.26 -4.88 135.00 138.19 2iny n PRO 899 Ca -0.09 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.03 2iny n PRO 899 Cb 0.51 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.83 2iny n PRO 899 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2iny s MET 900 N 0.00 2.58 0.04 0.54 1.75 -1.26 -5.05 119.30 117.90 2iny s MET 900 Ca 0.00 -1.15 -0.09 0.00 -1.25 0.00 0.00 55.69 53.20 2iny s MET 900 Cb 0.00 -3.04 -0.02 0.00 2.84 0.00 0.00 34.83 34.61 2iny s MET 900 CO 0.00 -0.51 0.56 -3.47 -0.65 0.00 0.00 175.02 170.95 2iny n ASP 901 N 4.61 -0.29 -1.71 1.11 -0.08 -1.26 -4.13 116.55 114.80 2iny n ASP 901 Ca -0.15 0.62 0.00 0.00 -1.51 0.00 0.00 54.79 53.76 2iny n ASP 901 Cb 0.45 -0.13 0.00 0.00 2.34 0.00 0.00 41.12 43.78 2iny n ASP 901 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2iny n GLU 902 N -3.82 2.03 -1.98 -0.67 0.28 -1.26 -4.90 120.64 110.32 2iny n GLU 902 Ca 0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.63 2iny n GLU 902 Cb 0.07 0.00 0.02 0.00 1.43 0.00 0.00 31.44 32.96 2iny n GLU 902 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2iny s ASN 903 N -0.78 5.69 0.24 -1.84 0.01 -1.26 -4.52 114.94 112.48 2iny s ASN 903 Ca 0.00 2.60 -0.12 0.00 -0.71 0.00 0.00 52.86 54.63 2iny s ASN 903 Cb 0.00 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 2iny s ASN 903 CO 0.00 -1.27 0.44 -0.89 -1.51 0.00 0.00 177.10 173.87 2iny s THR 904 N -1.38 0.00 0.00 1.60 2.01 -1.26 -2.83 115.64 113.78 2iny s THR 904 Ca 0.67 -1.47 0.00 0.00 0.31 0.00 0.00 61.69 61.20 2iny s THR 904 Cb -0.36 -2.24 0.00 0.00 0.01 0.00 0.00 72.50 69.91 2iny s THR 904 CO 0.43 0.00 0.00 -1.22 -0.69 0.00 0.00 174.62 173.14 2iny n TYR 905 N -0.37 0.00 0.06 4.92 4.01 -0.19 -1.71 117.16 123.88 2iny n TYR 905 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2iny n TYR 905 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 2iny n TYR 905 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2iny n VAL 906 N 0.00 0.00 -2.45 -0.72 0.31 -1.24 -4.32 118.33 109.91 2iny n VAL 906 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2iny n VAL 906 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 2iny n VAL 906 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2iny n TYR 907 N -2.73 -3.58 -4.31 3.52 9.36 -1.24 -4.09 117.16 114.09 2iny n TYR 907 Ca 0.00 2.12 -0.35 0.00 3.32 0.00 0.00 57.90 62.99 2iny n TYR 907 Cb 0.00 -3.19 -0.10 0.00 -0.63 0.00 0.00 39.34 35.43 2iny n TYR 907 CO 0.00 0.00 0.00 1.41 0.22 0.00 0.00 176.86 178.49 2iny s MET 908 N -0.47 3.17 -0.38 2.98 -2.45 -0.75 -4.02 119.30 117.38 2iny s MET 908 Ca -0.09 -0.40 -0.03 0.00 -1.25 0.00 0.00 55.69 53.92 2iny s MET 908 Cb 0.01 -2.87 0.09 0.00 1.25 0.00 0.00 34.83 33.31 2iny s MET 908 CO 0.24 0.62 0.16 -0.51 1.05 0.00 0.00 175.02 176.58 2iny s LEU 909 N -0.66 4.88 -0.22 4.11 1.02 -0.03 -3.12 118.68 124.67 2iny s LEU 909 Ca 0.11 -1.76 -0.15 0.00 0.02 0.00 0.00 54.13 52.34 2iny s LEU 909 Cb -0.12 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.24 2iny s LEU 909 CO 0.02 -0.47 0.37 -0.31 0.02 0.00 0.00 176.35 175.99 2iny s TYR 910 N 1.20 3.35 -0.14 0.29 1.51 -1.21 -1.39 117.35 120.96 2iny s TYR 910 Ca 0.04 0.54 -0.06 0.00 -1.01 0.00 0.00 57.07 56.59 2iny s TYR 910 Cb -0.22 -2.50 -0.04 0.00 -0.11 0.00 0.00 41.96 39.09 2iny s TYR 910 CO -0.03 -0.03 0.07 0.20 -1.11 0.00 0.00 175.55 174.65 2iny s GLY 911 N 1.13 1.96 0.15 0.71 0.00 -1.13 0.13 107.32 110.27 2iny s GLY 911 Ca 0.17 -0.73 -0.17 0.00 0.00 0.00 0.00 44.72 43.99 2iny s GLY 911 CO 0.08 -0.20 0.46 -1.34 0.00 0.00 0.00 173.10 172.09 2iny s VAL 912 N -0.28 0.05 -0.04 1.40 -7.23 -0.68 -0.19 120.40 113.42 2iny s VAL 912 Ca 0.08 -0.60 -0.30 0.00 -1.81 0.00 0.00 61.98 59.36 2iny s VAL 912 Cb -0.12 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.47 2iny s VAL 912 CO 0.01 -0.22 1.50 -0.36 -0.31 0.00 0.00 175.10 175.73 2iny s PHE 913 N -3.82 2.46 -0.47 2.82 0.08 -1.19 -3.64 117.98 114.21 2iny s PHE 913 Ca 0.05 0.55 0.02 0.00 0.12 0.00 0.00 56.93 57.67 2iny s PHE 913 Cb 0.01 -3.76 0.55 0.00 -0.57 0.00 0.00 43.02 39.25 2iny s PHE 913 CO -0.09 -3.01 1.90 -3.47 -0.10 0.00 0.00 175.22 170.44 2iny n ASP 914 N 6.32 4.78 -3.51 1.36 -0.08 -1.26 -2.74 116.55 121.43 2iny n ASP 914 Ca 0.15 -3.53 -0.07 0.00 -1.51 0.00 0.00 54.79 49.83 2iny n ASP 914 Cb 0.43 -0.86 0.07 0.00 2.34 0.00 0.00 41.12 43.10 2iny n ASP 914 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2iny n THR 915 N -0.92 0.00 -3.19 5.18 -1.04 -1.00 -4.62 114.28 108.69 2iny n THR 915 Ca 0.56 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.57 2iny n THR 915 Cb 1.31 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 69.59 2iny n THR 915 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2iny n VAL 916 N -3.55 0.00 -3.68 12.58 3.14 -1.23 -3.53 118.33 122.06 2iny n VAL 916 Ca 0.03 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.37 2iny n VAL 916 Cb 0.14 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.91 2iny n VAL 916 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 2iny s ARG 917 N -0.43 1.02 -0.06 1.45 3.52 -1.26 -4.13 118.95 119.07 2iny s ARG 917 Ca 0.00 -0.53 -0.02 0.00 -0.13 0.00 0.00 55.73 55.06 2iny s ARG 917 Cb 0.00 0.37 0.03 0.00 -1.56 0.00 0.00 34.95 33.80 2iny s ARG 917 CO 0.00 -0.46 0.04 0.54 -0.81 0.00 0.00 175.30 174.60 2iny s VAL 918 N -3.16 0.08 -0.64 7.11 0.11 -0.85 -2.99 120.40 120.06 2iny s VAL 918 Ca 0.11 0.28 -0.05 0.00 -2.93 0.00 0.00 61.98 59.38 2iny s VAL 918 Cb -0.01 -0.32 0.17 0.00 -1.53 0.00 0.00 36.38 34.68 2iny s VAL 918 CO -0.01 0.19 0.48 0.21 -3.33 0.00 0.00 175.10 172.63 2iny s ASN 919 N 2.09 5.51 -0.49 3.54 2.47 -1.16 -3.18 114.94 123.71 2iny s ASN 919 Ca 0.05 -2.74 -0.24 0.00 0.42 0.00 0.00 52.86 50.35 2iny s ASN 919 Cb -0.12 -1.92 0.03 0.00 -1.45 0.00 0.00 41.25 37.79 2iny s ASN 919 CO -0.04 -0.43 0.87 -1.10 -3.72 0.00 0.00 177.10 172.68 2iny s GLN 920 N 0.11 3.39 -0.03 0.43 -0.21 -1.26 -4.33 119.66 117.76 2iny s GLN 920 Ca 0.16 -0.15 -0.02 0.00 0.02 0.00 0.00 55.36 55.37 2iny s GLN 920 Cb -0.19 -3.99 -0.01 0.00 1.00 0.00 0.00 33.01 29.82 2iny s GLN 920 CO -0.04 -1.29 -0.04 -0.35 -2.12 0.00 0.00 175.29 171.45 2iny n PRO 921 N 7.08 0.11 -3.79 2.91 -0.04 -1.26 -4.23 135.00 135.77 2iny n PRO 921 Ca 0.02 0.32 -0.25 0.00 -0.04 0.00 0.00 63.50 63.55 2iny n PRO 921 Cb 0.48 -0.97 -0.17 0.00 -0.04 0.00 0.00 33.50 32.79 2iny n PRO 921 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2iny s GLU 922 N -1.29 0.79 0.00 0.54 -1.05 -1.26 -4.86 118.70 111.57 2iny s GLU 922 Ca -0.03 -0.09 0.00 0.00 -0.15 0.00 0.00 54.97 54.70 2iny s GLU 922 Cb 0.00 -1.36 0.00 0.00 -0.44 0.00 0.00 34.13 32.34 2iny s GLU 922 CO 0.05 -0.38 0.00 -2.13 0.95 0.00 0.00 175.26 173.75 2iny n ARG 923 N 5.08 0.00 -3.05 -4.83 0.63 -1.26 -3.69 116.66 109.54 2iny n ARG 923 Ca -0.08 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.84 2iny n ARG 923 Cb 0.49 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.40 2iny n ARG 923 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2iny n ASN 924 N 0.00 -6.84 0.00 6.15 5.15 -1.06 -4.99 115.26 113.66 2iny n ASN 924 Ca 0.00 0.72 0.00 0.00 -0.60 0.00 0.00 54.58 54.70 2iny n ASN 924 Cb 0.00 -2.61 0.00 0.00 -0.53 0.00 0.00 39.78 36.64 2iny n ASN 924 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2iny n VAL 925 N 1.24 0.00 -3.91 3.44 0.31 -1.24 -4.62 118.33 113.55 2iny n VAL 925 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.24 2iny n VAL 925 Cb 0.35 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.25 2iny n VAL 925 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2iny n LEU 926 N 0.00 0.00 0.00 7.52 4.77 -1.26 -4.30 117.00 123.73 2iny n LEU 926 Ca 0.00 -1.41 0.00 0.00 -0.03 0.00 0.00 56.01 54.57 2iny n LEU 926 Cb 0.00 1.07 0.00 0.00 -2.33 0.00 0.00 43.42 42.16 2iny n LEU 926 CO 0.00 -0.29 0.00 0.00 -1.33 0.00 0.00 177.39 175.77 2iny n ALA 927 N -1.91 0.00 -2.79 -1.18 0.00 -1.26 -4.87 120.51 108.50 2iny n ALA 927 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.98 2iny n ALA 927 Cb 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.62 2iny n ALA 927 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2iny s MET 928 N -0.25 2.98 0.00 0.00 -1.94 -1.26 -3.01 119.30 115.81 2iny s MET 928 Ca 0.00 -0.98 0.00 0.00 -1.71 0.00 0.00 55.69 53.00 2iny s MET 928 Cb 0.00 -3.72 0.00 0.00 2.01 0.00 0.00 34.83 33.12 2iny s MET 928 CO 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 175.02 174.38 2iny n ALA 929 N 5.01 0.00 -3.65 3.03 0.00 -1.16 -4.97 120.51 118.77 2iny n ALA 929 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 2iny n ALA 929 Cb 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.86 2iny n ALA 929 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2iny s TYR 930 N -0.87 -0.38 -0.26 0.00 4.12 -1.26 -4.57 117.35 114.12 2iny s TYR 930 Ca 0.00 0.77 -0.27 0.00 0.02 0.00 0.00 57.07 57.59 2iny s TYR 930 Cb 0.00 0.24 0.16 0.00 -1.52 0.00 0.00 41.96 40.85 2iny s TYR 930 CO 0.00 -0.19 1.24 0.12 0.02 0.00 0.00 175.55 176.74 2iny s PHE 931 N 1.16 -0.21 -0.06 2.71 5.36 -1.23 -5.01 117.98 120.69 2iny s PHE 931 Ca -0.08 0.46 -0.17 0.00 -0.96 0.00 0.00 56.93 56.19 2iny s PHE 931 Cb -0.03 0.45 0.03 0.00 -0.34 0.00 0.00 43.02 43.13 2iny s PHE 931 CO -0.13 -0.14 0.39 -0.98 -1.46 0.00 0.00 175.22 172.90 2iny s ARG 932 N -0.39 0.65 -0.28 10.12 1.70 -1.26 -2.36 118.95 127.13 2iny s ARG 932 Ca 0.05 0.11 -0.25 0.00 -0.47 0.00 0.00 55.73 55.17 2iny s ARG 932 Cb -0.03 0.30 0.11 0.00 -0.57 0.00 0.00 34.95 34.76 2iny s ARG 932 CO -0.08 -0.16 0.98 -0.08 -1.08 0.00 0.00 175.30 174.88 2iny s THR 933 N -0.81 0.00 1.04 4.99 -1.32 -1.11 -1.87 115.64 116.56 2iny s THR 933 Ca -0.09 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.27 2iny s THR 933 Cb -0.04 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.16 2iny s THR 933 CO 0.04 0.00 1.08 -2.84 -2.21 0.00 0.00 174.62 170.68 2iny s PRO 934 N 0.22 0.12 0.00 7.08 0.02 -1.09 -3.20 135.00 138.15 2iny s PRO 934 Ca 0.02 0.66 0.00 0.00 0.02 0.00 0.00 61.00 61.70 2iny s PRO 934 Cb -0.05 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.78 2iny s PRO 934 CO -0.05 -2.98 0.00 1.19 -0.33 0.00 0.00 177.00 174.83 2iny n PHE 935 N -4.37 0.00 -1.51 6.54 0.99 -1.26 -4.83 117.46 113.02 2iny n PHE 935 Ca 0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.23 2iny n PHE 935 Cb 0.56 -0.42 -0.18 0.00 -1.00 0.00 0.00 39.48 38.45 2iny n PHE 935 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2iny n ALA 936 N -0.18 0.79 -3.71 4.37 0.00 -0.78 -2.80 120.51 118.19 2iny n ALA 936 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 53.44 52.48 2iny n ALA 936 Cb 0.08 -2.52 0.01 0.00 0.00 0.00 0.00 19.45 17.01 2iny n ALA 936 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2iny n THR 937 N 6.59 -1.38 -1.50 0.00 5.66 -1.26 -4.62 114.28 117.77 2iny n THR 937 Ca 0.63 -0.22 -0.44 0.00 -3.05 0.00 0.00 64.05 60.98 2iny n THR 937 Cb 0.17 -1.19 -0.06 0.00 -1.55 0.00 0.00 70.33 67.69 2iny n THR 937 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2iny n GLY 938 N -1.40 0.33 2.80 1.09 0.00 -1.12 -4.93 105.19 101.96 2iny n GLY 938 Ca -0.08 0.86 -0.24 0.00 0.00 0.00 0.00 46.02 46.56 2iny n GLY 938 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2iny s ASN 939 N 9.17 1.74 -0.27 1.61 0.01 -1.26 -5.12 114.94 120.82 2iny s ASN 939 Ca 1.09 -0.14 -0.13 0.00 -0.71 0.00 0.00 52.86 52.96 2iny s ASN 939 Cb -0.64 -0.54 0.09 0.00 0.41 0.00 0.00 41.25 40.56 2iny s ASN 939 CO 0.40 -0.18 0.63 0.00 -1.51 0.00 0.00 177.10 176.45 2iny s ALA 940 N 1.91 -1.77 -2.00 0.60 0.00 -1.26 -5.24 121.76 113.99 2iny s ALA 940 Ca 0.05 2.25 0.17 0.00 0.00 0.00 0.00 51.96 54.43 2iny s ALA 940 Cb -0.12 -1.43 1.00 0.00 0.00 0.00 0.00 23.12 22.57 2iny s ALA 940 CO -0.06 -0.49 1.40 0.28 0.00 0.00 0.00 175.76 176.89