#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1i s SER 15 N 0.00 5.54 0.00 7.83 0.15 -1.26 -4.82 113.70 121.13 1i1i s SER 15 Ca 0.00 1.60 0.26 0.00 0.70 0.00 0.00 55.95 58.50 1i1i s SER 15 Cb 0.00 -2.49 1.27 0.00 -1.71 0.00 0.00 66.02 63.09 1i1i s SER 15 CO 0.00 -1.34 1.85 -1.20 1.20 0.00 0.00 173.24 173.75 1i1i n SER 16 N -3.01 0.71 -0.95 5.45 7.64 -1.26 -3.78 113.62 118.41 1i1i n SER 16 Ca 0.07 -1.37 0.08 0.00 1.01 0.00 0.00 58.87 58.66 1i1i n SER 16 Cb 0.54 -0.02 0.24 0.00 -1.01 0.00 0.00 64.21 63.95 1i1i n SER 16 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1i1i n TYR 17 N -0.39 0.84 -3.95 1.43 4.02 -1.26 0.17 117.16 118.02 1i1i n TYR 17 Ca 0.19 -0.63 -0.09 0.00 -0.01 0.00 0.00 57.90 57.36 1i1i n TYR 17 Cb 0.20 -0.15 -0.07 0.00 -0.02 0.00 0.00 39.34 39.30 1i1i n TYR 17 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1i1i s THR 18 N -1.68 0.08 -0.47 -0.72 -4.23 -1.25 -4.70 115.64 102.67 1i1i s THR 18 Ca 0.36 -1.38 0.16 0.00 -1.18 0.00 0.00 61.69 59.65 1i1i s THR 18 Cb 0.23 -1.76 -0.20 0.00 1.34 0.00 0.00 72.50 72.12 1i1i s THR 18 CO 0.17 -0.37 0.54 0.00 -0.54 0.00 0.00 174.62 174.42 1i1i n ALA 19 N -0.18 3.50 -1.63 3.99 0.00 -1.26 -4.79 120.51 120.14 1i1i n ALA 19 Ca -0.09 -0.42 -0.55 0.00 0.00 0.00 0.00 53.44 52.39 1i1i n ALA 19 Cb 0.63 -0.56 -0.07 0.00 0.00 0.00 0.00 19.45 19.45 1i1i n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i1i n ALA 20 N -1.62 0.24 -0.68 0.00 0.00 -1.26 -0.82 120.51 116.37 1i1i n ALA 20 Ca 0.01 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1i1i n ALA 20 Cb 0.30 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.43 1i1i n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i1i n GLY 21 N 4.93 1.20 0.03 0.00 0.00 -1.26 -4.86 105.19 105.24 1i1i n GLY 21 Ca 0.31 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.46 1i1i n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i1i n ARG 22 N -2.00 0.14 -3.66 1.61 1.74 -0.00 -4.58 116.66 109.90 1i1i n ARG 22 Ca 0.00 -0.06 -0.30 0.00 -0.77 0.00 0.00 57.85 56.72 1i1i n ARG 22 Cb 0.00 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 29.80 1i1i n ARG 22 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1i1i s ASN 23 N -2.91 3.79 -0.28 0.55 3.84 -1.26 -4.57 114.94 114.12 1i1i s ASN 23 Ca 0.15 -1.69 0.09 0.00 0.21 0.00 0.00 52.86 51.62 1i1i s ASN 23 Cb 0.18 -0.72 0.46 0.00 -0.55 0.00 0.00 41.25 40.63 1i1i s ASN 23 CO 0.62 -0.40 1.18 1.33 -2.79 0.00 0.00 177.10 177.05 1i1i n VAL 24 N 4.76 2.36 -2.53 -5.21 0.24 -1.26 -5.04 118.33 111.65 1i1i n VAL 24 Ca -0.01 -3.99 -0.42 0.00 -2.04 0.00 0.00 64.34 57.88 1i1i n VAL 24 Cb 0.41 -0.81 -0.03 0.00 -1.47 0.00 0.00 33.84 31.94 1i1i n VAL 24 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1i1i s LEU 25 N -3.57 4.40 -0.13 1.34 1.43 -1.26 -5.01 118.68 115.88 1i1i s LEU 25 Ca 0.48 1.93 -0.18 0.00 -1.03 0.00 0.00 54.13 55.33 1i1i s LEU 25 Cb 0.40 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 1i1i s LEU 25 CO 0.02 -0.34 0.46 -0.13 0.23 0.00 0.00 176.35 176.59 1i1i s ARG 26 N 0.67 4.31 -0.05 1.70 1.81 -1.26 -4.95 118.95 121.19 1i1i s ARG 26 Ca 0.54 0.40 0.11 0.00 -1.72 0.00 0.00 55.73 55.06 1i1i s ARG 26 Cb -0.27 -3.45 0.31 0.00 -0.45 0.00 0.00 34.95 31.09 1i1i s ARG 26 CO 0.30 0.12 1.25 0.91 -0.68 0.00 0.00 175.30 177.21 1i1i n TRP 27 N 3.82 0.49 -1.38 -0.53 5.03 -1.26 -4.53 117.44 119.07 1i1i n TRP 27 Ca -0.07 -0.62 0.08 0.00 3.03 0.00 0.00 57.50 59.91 1i1i n TRP 27 Cb 0.51 -0.11 0.14 0.00 -1.03 0.00 0.00 31.31 30.83 1i1i n TRP 27 CO 0.00 0.00 0.00 -0.40 -0.03 0.00 0.00 177.69 177.26 1i1i n ASP 28 N 0.01 1.86 -4.77 -0.99 5.68 -1.26 -4.68 116.55 112.40 1i1i n ASP 28 Ca 0.12 -3.13 -0.41 0.00 -0.50 0.00 0.00 54.79 50.88 1i1i n ASP 28 Cb 0.52 -0.42 -0.02 0.00 -1.14 0.00 0.00 41.12 40.06 1i1i n ASP 28 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1i1i s LEU 29 N -2.51 4.42 0.67 -2.12 1.43 -1.26 -5.02 118.68 114.29 1i1i s LEU 29 Ca 0.30 2.72 -0.09 0.00 -1.03 0.00 0.00 54.13 56.03 1i1i s LEU 29 Cb 0.28 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.87 1i1i s LEU 29 CO -0.01 -0.57 1.03 -0.94 0.23 0.00 0.00 176.35 176.09 1i1i s SER 30 N -0.42 5.40 0.30 2.29 1.04 -1.26 -4.87 113.70 116.18 1i1i s SER 30 Ca 0.50 0.91 0.02 0.00 0.48 0.00 0.00 55.95 57.86 1i1i s SER 30 Cb -0.40 -1.75 0.57 0.00 0.10 0.00 0.00 66.02 64.54 1i1i s SER 30 CO 0.53 -1.29 1.87 -0.65 0.98 0.00 0.00 173.24 174.68 1i1i h PRO 31 N -0.50 0.95 -0.11 4.02 0.11 -1.90 -0.99 132.00 133.58 1i1i h PRO 31 Ca -0.45 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 1i1i h PRO 31 Cb 1.26 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1i1i h PRO 31 CO 0.63 0.63 -0.61 1.49 -0.21 0.00 0.00 178.00 179.93 1i1i h GLU 32 N 0.98 0.39 -0.09 1.05 4.57 -1.97 -2.07 114.58 117.45 1i1i h GLU 32 Ca 0.45 -0.27 -0.13 0.00 -1.18 0.00 0.00 59.36 58.23 1i1i h GLU 32 Cb 0.39 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 1i1i h GLU 32 CO -0.20 0.88 -0.51 1.96 -1.18 0.00 0.00 179.01 179.96 1i1i h GLN 33 N 0.29 0.24 -0.39 1.92 4.20 -1.75 -0.73 115.11 118.89 1i1i h GLN 33 Ca -0.01 -0.14 -0.15 0.00 0.06 0.00 0.00 58.65 58.42 1i1i h GLN 33 Cb 1.14 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 1i1i h GLN 33 CO 0.10 0.70 -0.34 0.82 -0.67 0.00 0.00 178.83 179.44 1i1i h ILE 34 N 0.19 1.28 -0.13 2.54 2.04 -1.06 -1.25 117.51 121.11 1i1i h ILE 34 Ca 0.01 -1.51 -0.01 0.00 1.00 0.00 0.00 64.86 64.34 1i1i h ILE 34 Cb 0.96 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1i1i h ILE 34 CO 0.08 0.50 0.03 0.50 0.00 0.00 0.00 178.15 179.26 1i1i h LYS 35 N 0.72 0.21 0.21 2.37 3.64 -1.18 -1.73 116.57 120.82 1i1i h LYS 35 Ca 0.07 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1i1i h LYS 35 Cb 0.93 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1i1i h LYS 35 CO 0.09 0.39 -0.14 1.15 -2.27 0.00 0.00 179.45 178.67 1i1i h THR 36 N -0.00 0.69 -0.70 1.00 2.02 -1.10 -1.88 112.91 112.94 1i1i h THR 36 Ca 0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.25 1i1i h THR 36 Cb 0.28 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1i1i h THR 36 CO 0.00 0.00 0.46 0.03 0.37 0.00 0.00 175.52 176.38 1i1i h ARG 37 N -0.35 0.83 0.07 6.66 3.08 -1.24 -1.00 114.38 122.43 1i1i h ARG 37 Ca -0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1i1i h ARG 37 Cb 0.30 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1i1i h ARG 37 CO 0.01 0.55 -0.03 1.15 -1.07 0.00 0.00 179.97 180.57 1i1i h THR 38 N 0.86 1.01 -0.89 2.04 2.02 -1.01 0.13 112.91 117.08 1i1i h THR 38 Ca 0.27 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1i1i h THR 38 Cb 0.03 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 1i1i h THR 38 CO -0.07 0.07 0.56 -0.33 0.37 0.00 0.00 175.52 176.11 1i1i h GLU 39 N -0.22 1.19 -0.10 6.66 5.08 -0.95 -1.96 114.58 124.27 1i1i h GLU 39 Ca -0.01 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.11 1i1i h GLU 39 Cb 0.19 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1i1i h GLU 39 CO 0.02 0.81 -0.57 1.96 -1.00 0.00 0.00 179.01 180.23 1i1i h GLN 40 N 1.21 0.33 -0.06 2.33 1.08 -1.04 -2.83 115.11 116.13 1i1i h GLN 40 Ca 0.32 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 1i1i h GLN 40 Cb -0.09 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1i1i h GLN 40 CO -0.06 0.81 -0.01 1.25 -0.95 0.00 0.00 178.83 179.86 1i1i h LEU 41 N 0.25 0.12 0.19 1.46 5.85 -0.32 -1.82 115.31 121.04 1i1i h LEU 41 Ca -0.00 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1i1i h LEU 41 Cb 1.08 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1i1i h LEU 41 CO 0.09 0.44 -0.17 0.40 -0.34 0.00 0.00 178.44 178.87 1i1i h ILE 42 N -0.21 0.63 0.27 4.05 2.04 -1.40 -0.19 117.51 122.71 1i1i h ILE 42 Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1i1i h ILE 42 Cb 0.39 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1i1i h ILE 42 CO 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 178.15 178.01 1i1i h ALA 43 N 0.39 -0.39 -0.91 1.87 0.00 -1.55 0.54 119.26 119.22 1i1i h ALA 43 Ca -0.00 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1i1i h ALA 43 Cb 0.35 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1i1i h ALA 43 CO -0.03 -0.72 0.60 1.96 0.00 0.00 0.00 179.25 181.07 1i1i h GLN 44 N -0.39 1.19 -0.22 0.00 4.20 -1.30 -2.03 115.11 116.56 1i1i h GLN 44 Ca -0.03 -0.07 -0.17 0.00 0.06 0.00 0.00 58.65 58.44 1i1i h GLN 44 Cb 0.31 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1i1i h GLN 44 CO 0.05 0.79 -0.54 1.15 -0.67 0.00 0.00 178.83 179.60 1i1i h THR 45 N 1.23 1.30 -0.86 -0.54 2.02 -0.79 -3.03 112.91 112.23 1i1i h THR 45 Ca 0.34 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.75 1i1i h THR 45 Cb -0.13 1.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1i1i h THR 45 CO -0.08 0.56 0.55 0.50 0.37 0.00 0.00 175.52 177.43 1i1i h LYS 46 N 0.51 1.15 -0.87 6.66 3.64 -0.43 -1.72 116.57 125.51 1i1i h LYS 46 Ca 0.01 -0.08 0.12 0.00 -1.27 0.00 0.00 60.65 59.43 1i1i h LYS 46 Cb 1.11 -0.25 -0.07 0.00 -0.41 0.00 0.00 32.23 32.61 1i1i h LYS 46 CO 0.11 0.78 0.56 1.96 -2.27 0.00 0.00 179.45 180.59 1i1i h GLN 47 N 1.18 0.74 -0.35 1.90 4.20 -1.26 0.55 115.11 122.07 1i1i h GLN 47 Ca 0.31 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.90 1i1i h GLN 47 Cb -0.10 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 1i1i h GLN 47 CO -0.06 0.49 -0.10 0.28 -0.67 0.00 0.00 178.83 178.76 1i1i h VAL 48 N 0.76 1.28 -0.16 -0.54 2.07 -1.28 0.02 116.25 118.40 1i1i h VAL 48 Ca 0.42 -1.18 -0.10 0.00 0.82 0.00 0.00 66.70 66.67 1i1i h VAL 48 Cb 0.56 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1i1i h VAL 48 CO -0.19 0.39 -0.32 1.88 0.02 0.00 0.00 177.57 179.35 1i1i h TYR 49 N 0.47 0.35 -0.66 1.57 -1.99 -0.85 -1.24 116.97 114.62 1i1i h TYR 49 Ca 0.09 -0.08 -0.05 0.00 2.00 0.00 0.00 58.73 60.68 1i1i h TYR 49 Cb 0.61 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 39.23 1i1i h TYR 49 CO 0.05 0.60 0.20 -0.44 -0.00 0.00 0.00 178.16 178.57 1i1i h ASP 50 N 0.27 0.94 -0.36 3.88 3.32 0.37 0.22 116.42 125.06 1i1i h ASP 50 Ca 0.04 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 56.79 1i1i h ASP 50 Cb 0.71 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1i1i h ASP 50 CO 0.05 0.89 -0.24 0.74 -1.72 0.00 0.00 179.24 178.96 1i1i h THR 51 N 0.97 1.27 0.01 0.35 2.02 -0.32 -2.98 112.91 114.24 1i1i h THR 51 Ca 0.21 -1.39 -0.22 0.00 0.77 0.00 0.00 66.41 65.79 1i1i h THR 51 Cb 0.29 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1i1i h THR 51 CO -0.01 0.47 -0.95 0.58 0.37 0.00 0.00 175.52 175.98 1i1i h VAL 52 N 0.74 1.45 0.00 3.16 2.07 -0.90 -3.23 116.25 119.54 1i1i h VAL 52 Ca 0.10 -2.59 0.00 0.00 0.82 0.00 0.00 66.70 65.03 1i1i h VAL 52 Cb 0.79 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1i1i h VAL 52 CO 0.07 0.76 0.00 0.61 0.02 0.00 0.00 177.57 179.03 1i1i n GLY 53 N 0.98 -0.93 0.28 2.17 0.00 0.74 -2.90 105.19 105.53 1i1i n GLY 53 Ca -0.06 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.92 1i1i n GLY 53 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i1i n THR 54 N -1.38 0.67 -2.20 2.61 -2.24 -1.13 -4.62 114.28 105.99 1i1i n THR 54 Ca 0.06 -0.84 -0.41 0.00 -2.27 0.00 0.00 64.05 60.60 1i1i n THR 54 Cb 0.16 0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 1i1i n THR 54 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1i1i s ILE 55 N -0.82 2.91 0.09 2.28 1.01 -1.14 -4.93 121.20 120.60 1i1i s ILE 55 Ca 0.09 0.91 -0.31 0.00 0.00 0.00 0.00 60.65 61.34 1i1i s ILE 55 Cb 0.05 -3.58 -0.08 0.00 0.01 0.00 0.00 42.46 38.87 1i1i s ILE 55 CO 0.07 0.21 1.54 0.00 0.00 0.00 0.00 174.94 176.76 1i1i s ALA 56 N -1.04 3.67 0.39 9.38 0.00 -1.26 -4.87 121.76 128.03 1i1i s ALA 56 Ca 0.49 1.17 0.21 0.00 0.00 0.00 0.00 51.96 53.83 1i1i s ALA 56 Cb -0.38 -3.63 1.21 0.00 0.00 0.00 0.00 23.12 20.32 1i1i s ALA 56 CO 0.49 -0.90 1.68 -0.07 0.00 0.00 0.00 175.76 176.96 1i1i h LEU 57 N 7.76 0.40 -0.48 0.00 3.38 -1.98 0.73 115.31 125.12 1i1i h LEU 57 Ca -0.42 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1i1i h LEU 57 Cb 1.20 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1i1i h LEU 57 CO 0.91 -0.09 0.00 0.11 0.09 0.00 0.00 178.44 179.46 1i1i h LYS 58 N 0.26 0.00 -0.02 1.13 1.57 -2.00 -3.13 116.57 114.39 1i1i h LYS 58 Ca 0.72 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.50 1i1i h LYS 58 Cb 1.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.24 1i1i h LYS 58 CO -0.45 0.00 -0.05 0.39 -0.57 0.00 0.00 179.45 178.77 1i1i n GLU 59 N -2.94 1.95 -1.98 3.15 1.02 0.25 -4.95 120.64 117.14 1i1i n GLU 59 Ca 0.03 -1.46 -0.42 0.00 -0.02 0.00 0.00 57.16 55.30 1i1i n GLU 59 Cb 0.43 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.36 1i1i n GLU 59 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1i1i s VAL 60 N -2.06 2.63 0.26 2.62 0.11 -0.94 -4.91 120.40 118.11 1i1i s VAL 60 Ca 0.31 0.50 0.02 0.00 -2.93 0.00 0.00 61.98 59.88 1i1i s VAL 60 Cb 0.20 -3.32 -0.04 0.00 -1.53 0.00 0.00 36.38 31.69 1i1i s VAL 60 CO 0.34 0.07 0.13 0.42 -3.33 0.00 0.00 175.10 172.73 1i1i s THR 61 N 0.38 0.31 0.32 5.04 -4.23 -1.26 -4.91 115.64 111.29 1i1i s THR 61 Ca 0.63 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1i1i s THR 61 Cb -0.43 -2.55 0.20 0.00 1.34 0.00 0.00 72.50 71.06 1i1i s THR 61 CO 0.39 0.00 1.91 0.22 -0.54 0.00 0.00 174.62 176.61 1i1i h TYR 62 N 2.37 0.76 0.15 3.99 5.03 -1.96 -1.56 116.97 125.75 1i1i h TYR 62 Ca -0.35 -0.03 -0.30 0.00 2.58 0.00 0.00 58.73 60.62 1i1i h TYR 62 Cb 1.25 -0.24 0.01 0.00 1.55 0.00 0.00 36.73 39.30 1i1i h TYR 62 CO 0.68 0.59 -1.42 0.93 -1.32 0.00 0.00 178.16 177.62 1i1i h GLU 63 N 0.76 0.31 -0.01 1.82 3.07 -1.96 0.54 114.58 119.10 1i1i h GLU 63 Ca 0.18 -0.53 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 1i1i h GLU 63 Cb 0.14 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1i1i h GLU 63 CO -0.02 1.22 -0.11 0.27 -1.40 0.00 0.00 179.01 178.98 1i1i n ASN 64 N -3.53 1.23 0.00 1.42 6.94 -1.20 -3.56 115.26 116.56 1i1i n ASN 64 Ca -0.14 -1.20 0.00 0.00 -0.02 0.00 0.00 54.58 53.22 1i1i n ASN 64 Cb 1.05 0.05 0.00 0.00 -2.36 0.00 0.00 39.78 38.52 1i1i n ASN 64 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1i1i h LEU 66 N 0.00 -1.04 -1.68 0.00 6.46 -1.63 0.08 115.31 117.50 1i1i h LEU 66 Ca 0.00 0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1i1i h LEU 66 Cb 0.00 0.44 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 1i1i h LEU 66 CO 0.00 -0.36 0.16 -0.61 -0.62 0.00 0.00 178.44 177.00 1i1i h GLN 67 N -0.40 0.37 -0.14 1.25 5.75 -1.06 0.05 115.11 120.93 1i1i h GLN 67 Ca 0.10 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.50 1i1i h GLN 67 Cb 0.55 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.02 1i1i h GLN 67 CO -0.37 0.27 -0.19 0.28 -2.65 0.00 0.00 178.83 176.16 1i1i h VAL 68 N 0.37 1.36 -0.42 2.39 2.07 -1.34 -0.54 116.25 120.15 1i1i h VAL 68 Ca 0.10 -1.41 -0.08 0.00 0.82 0.00 0.00 66.70 66.12 1i1i h VAL 68 Cb -0.00 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1i1i h VAL 68 CO -0.02 0.41 -0.09 -0.07 0.02 0.00 0.00 177.57 177.83 1i1i h LEU 69 N -0.02 0.71 -0.20 2.57 4.07 -0.62 -2.04 115.31 119.78 1i1i h LEU 69 Ca 0.01 -0.20 -0.07 0.00 0.08 0.00 0.00 57.88 57.71 1i1i h LEU 69 Cb 0.75 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.30 1i1i h LEU 69 CO 0.04 0.83 -0.14 0.00 -1.08 0.00 0.00 178.44 178.10 1i1i h ALA 70 N 1.24 0.29 -0.38 1.53 0.00 -0.97 -2.07 119.26 118.90 1i1i h ALA 70 Ca 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1i1i h ALA 70 Cb 0.54 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1i1i h ALA 70 CO 0.03 0.16 0.25 -0.44 0.00 0.00 0.00 179.25 179.26 1i1i h ASP 71 N 0.13 0.44 -0.23 0.00 3.32 -0.98 -2.50 116.42 116.59 1i1i h ASP 71 Ca 0.04 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 1i1i h ASP 71 Cb 0.66 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1i1i h ASP 71 CO 0.04 0.32 -0.02 -0.29 -1.72 0.00 0.00 179.24 177.57 1i1i h ILE 72 N 0.51 1.21 -0.66 0.35 6.09 -1.37 -2.44 117.51 121.20 1i1i h ILE 72 Ca 0.14 -0.84 -0.02 0.00 -1.37 0.00 0.00 64.86 62.77 1i1i h ILE 72 Cb -0.06 0.97 -0.03 0.00 0.47 0.00 0.00 36.82 38.17 1i1i h ILE 72 CO -0.03 0.29 0.35 -0.33 -3.07 0.00 0.00 178.15 175.36 1i1i h GLU 73 N 0.52 0.92 0.50 2.19 5.08 -0.94 0.97 114.58 123.82 1i1i h GLU 73 Ca 0.11 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1i1i h GLU 73 Cb 0.37 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1i1i h GLU 73 CO 0.01 0.69 -0.24 0.28 -1.00 0.00 0.00 179.01 178.75 1i1i h VAL 74 N 0.93 0.00 -0.95 3.13 2.07 -1.15 -1.70 116.25 118.58 1i1i h VAL 74 Ca 0.23 -0.17 0.13 0.00 0.82 0.00 0.00 66.70 67.72 1i1i h VAL 74 Cb 0.04 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.73 1i1i h VAL 74 CO -0.04 0.00 0.57 0.71 0.02 0.00 0.00 177.57 178.83 1i1i h THR 75 N -0.84 0.85 0.11 2.57 1.35 -1.42 -2.37 112.91 113.16 1i1i h THR 75 Ca -0.07 -0.29 -0.01 0.00 -0.55 0.00 0.00 66.41 65.49 1i1i h THR 75 Cb 0.51 -0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.85 1i1i h THR 75 CO 0.11 0.16 -0.05 0.22 -0.25 0.00 0.00 175.52 175.70 1i1i h TYR 76 N 0.85 -0.14 -0.75 4.73 3.20 -0.84 -2.46 116.97 121.56 1i1i h TYR 76 Ca 0.49 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.41 1i1i h TYR 76 Cb 0.57 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.84 1i1i h TYR 76 CO -0.03 0.11 0.49 0.97 -1.64 0.00 0.00 178.16 178.06 1i1i h ILE 77 N -0.37 1.04 -0.26 1.81 6.09 -0.90 -0.75 117.51 124.18 1i1i h ILE 77 Ca -0.02 -0.28 -0.19 0.00 -1.37 0.00 0.00 64.86 63.01 1i1i h ILE 77 Cb 0.31 0.15 0.00 0.00 0.47 0.00 0.00 36.82 37.75 1i1i h ILE 77 CO 0.02 0.15 -0.56 0.58 -3.07 0.00 0.00 178.15 175.27 1i1i h VAL 78 N 0.82 1.28 -0.39 2.19 2.07 -1.39 -2.86 116.25 117.96 1i1i h VAL 78 Ca 0.32 -1.75 -0.14 0.00 0.82 0.00 0.00 66.70 65.95 1i1i h VAL 78 Cb 0.22 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1i1i h VAL 78 CO -0.11 0.57 -0.31 -0.08 0.02 0.00 0.00 177.57 177.66 1i1i h GLU 79 N 0.60 0.87 -0.08 1.57 4.57 -1.10 -3.06 114.58 117.95 1i1i h GLU 79 Ca 0.00 -0.41 -0.00 0.00 -1.18 0.00 0.00 59.36 57.77 1i1i h GLU 79 Cb 1.18 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1i1i h GLU 79 CO 0.12 1.05 0.04 -0.09 -1.18 0.00 0.00 179.01 178.95 1i1i h ARG 80 N 0.73 0.11 0.00 1.92 2.43 -1.11 -2.77 114.38 115.69 1i1i h ARG 80 Ca 0.08 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.10 1i1i h ARG 80 Cb 0.87 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 1i1i h ARG 80 CO 0.08 0.09 -0.68 1.79 -1.51 0.00 0.00 179.97 179.74 1i1i h THR 81 N 0.11 1.37 0.00 0.20 1.35 -1.39 0.06 112.91 114.60 1i1i h THR 81 Ca 0.03 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.46 1i1i h THR 81 Cb 0.02 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1i1i h THR 81 CO -0.00 0.67 0.00 0.24 -0.25 0.00 0.00 175.52 176.17 1i1i h MET 82 N 0.00 0.00 0.01 4.72 2.86 -1.56 -2.26 114.93 118.70 1i1i h MET 82 Ca -0.01 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.26 1i1i h MET 82 Cb 1.30 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.89 1i1i h MET 82 CO 0.09 0.00 -2.37 1.28 1.06 0.00 0.00 176.91 176.97 1i1i n LEU 83 N -2.88 1.61 -0.14 1.22 4.77 -0.96 -4.59 117.00 116.02 1i1i n LEU 83 Ca 0.01 -0.03 0.11 0.00 -0.03 0.00 0.00 56.01 56.06 1i1i n LEU 83 Cb 0.26 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1i1i n LEU 83 CO 0.25 0.72 0.12 -0.90 -1.33 0.00 0.00 177.39 176.24 1i1i n ASP 84 N -3.05 1.23 0.08 -1.43 5.68 -0.03 -4.42 116.55 114.61 1i1i n ASP 84 Ca -0.38 -1.06 -0.19 0.00 -0.50 0.00 0.00 54.79 52.66 1i1i n ASP 84 Cb 1.07 0.76 -0.15 0.00 -1.14 0.00 0.00 41.12 41.66 1i1i n ASP 84 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1i1i h PHE 85 N 0.69 0.58 -0.61 2.11 3.57 -1.64 -3.36 116.94 118.28 1i1i h PHE 85 Ca 0.00 -0.42 0.18 0.00 3.53 0.00 0.00 57.97 61.25 1i1i h PHE 85 Cb 0.57 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1i1i h PHE 85 CO 0.00 1.45 0.49 -1.35 -2.23 0.00 0.00 178.31 176.66 1i1i h PRO 86 N 0.09 0.00 0.00 6.41 0.11 -1.79 -0.24 132.00 136.58 1i1i h PRO 86 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1i1i h PRO 86 Cb 2.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.16 1i1i h PRO 86 CO 0.19 0.00 0.00 -0.56 -0.21 0.00 0.00 178.00 177.42 1i1i h GLN 87 N 0.00 0.00 0.00 1.05 3.07 -1.78 -0.05 115.11 117.41 1i1i h GLN 87 Ca 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 59.03 1i1i h GLN 87 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.82 1i1i h GLN 87 CO -0.00 0.00 -1.83 0.72 0.09 0.00 0.00 178.83 177.80 1i1i n HIS 88 N -2.53 0.00 0.00 0.06 8.25 -0.10 -4.79 115.22 116.10 1i1i n HIS 88 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1i1i n HIS 88 Cb 0.09 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.78 1i1i n HIS 88 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1i1i n VAL 89 N -2.14 0.00 -2.01 1.59 0.24 -0.96 -0.09 118.33 114.98 1i1i n VAL 89 Ca -0.04 -0.08 -0.39 0.00 -2.04 0.00 0.00 64.34 61.79 1i1i n VAL 89 Cb 0.48 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 1i1i n VAL 89 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1i1i s SER 90 N -0.41 6.12 0.05 -1.34 0.15 -0.07 -4.81 113.70 113.39 1i1i s SER 90 Ca 0.00 2.67 0.25 0.00 0.70 0.00 0.00 55.95 59.57 1i1i s SER 90 Cb 0.00 -2.64 0.44 0.00 -1.71 0.00 0.00 66.02 62.11 1i1i s SER 90 CO 0.00 -0.98 1.37 -0.24 1.20 0.00 0.00 173.24 174.58 1i1i n SER 91 N -0.10 0.56 -4.60 5.45 2.88 -1.26 -4.64 113.62 111.90 1i1i n SER 91 Ca 0.05 -0.09 -0.41 0.00 -1.33 0.00 0.00 58.87 57.09 1i1i n SER 91 Cb 0.44 0.24 -0.06 0.00 -0.75 0.00 0.00 64.21 64.07 1i1i n SER 91 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1i1i s ASP 92 N -3.52 6.56 0.37 -3.46 3.68 -1.26 -4.95 116.67 114.08 1i1i s ASP 92 Ca 0.09 0.52 0.07 0.00 2.13 0.00 0.00 52.55 55.35 1i1i s ASP 92 Cb 0.16 -2.36 0.78 0.00 -1.45 0.00 0.00 42.92 40.05 1i1i s ASP 92 CO 0.71 -0.52 1.95 -0.09 0.13 0.00 0.00 175.17 177.34 1i1i h ARG 93 N 8.15 0.69 -0.17 4.34 2.43 -1.98 -1.09 114.38 126.77 1i1i h ARG 93 Ca -0.26 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.77 1i1i h ARG 93 Cb 1.11 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1i1i h ARG 93 CO 0.83 0.46 -0.30 0.93 -1.51 0.00 0.00 179.97 180.38 1i1i h GLU 94 N 0.72 0.50 -0.70 0.20 4.39 -1.99 -2.33 114.58 115.37 1i1i h GLU 94 Ca 0.33 -0.32 0.03 0.00 0.34 0.00 0.00 59.36 59.74 1i1i h GLU 94 Cb 0.35 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 1i1i h GLU 94 CO -0.11 0.92 0.44 0.28 -1.16 0.00 0.00 179.01 179.37 1i1i h VAL 95 N 0.14 1.09 -0.43 3.13 2.07 -1.79 -1.49 116.25 118.96 1i1i h VAL 95 Ca 0.01 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.25 1i1i h VAL 95 Cb 0.89 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1i1i h VAL 95 CO 0.07 0.16 0.28 -0.09 0.02 0.00 0.00 177.57 178.00 1i1i h ARG 96 N 0.85 0.54 -0.76 1.57 2.43 -1.15 -1.46 114.38 116.42 1i1i h ARG 96 Ca 0.28 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 1i1i h ARG 96 Cb 0.03 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1i1i h ARG 96 CO -0.11 0.36 0.25 0.00 -1.51 0.00 0.00 179.97 178.96 1i1i h ALA 97 N 1.17 0.99 -0.68 2.80 0.00 -1.02 -1.18 119.26 121.34 1i1i h ALA 97 Ca 0.16 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1i1i h ALA 97 Cb -0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1i1i h ALA 97 CO -0.05 0.67 0.20 0.00 0.00 0.00 0.00 179.25 180.07 1i1i h ALA 98 N 1.13 1.06 -0.41 0.00 0.00 -0.92 -1.06 119.26 119.06 1i1i h ALA 98 Ca 0.25 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1i1i h ALA 98 Cb 0.30 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1i1i h ALA 98 CO -0.01 0.63 0.05 1.03 0.00 0.00 0.00 179.25 180.95 1i1i h SER 99 N 1.01 0.67 -0.60 0.00 0.87 -0.94 0.29 113.55 114.85 1i1i h SER 99 Ca 0.22 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1i1i h SER 99 Cb 0.31 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1i1i h SER 99 CO -0.01 0.78 0.39 0.74 -0.53 0.00 0.00 176.83 178.20 1i1i h THR 100 N 0.54 1.16 -0.40 2.23 2.02 -0.93 0.19 112.91 117.72 1i1i h THR 100 Ca 0.12 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1i1i h THR 100 Cb 0.40 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1i1i h THR 100 CO 0.01 0.16 0.13 -0.08 0.37 0.00 0.00 175.52 176.11 1i1i h GLU 101 N 0.82 0.62 -0.33 6.66 4.57 -0.90 -2.01 114.58 124.01 1i1i h GLU 101 Ca 0.22 -0.13 0.05 0.00 -1.18 0.00 0.00 59.36 58.32 1i1i h GLU 101 Cb -0.07 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.39 1i1i h GLU 101 CO -0.05 0.62 0.07 0.00 -1.18 0.00 0.00 179.01 178.47 1i1i h ALA 102 N 0.98 0.34 -0.51 2.92 0.00 0.28 -1.47 119.26 121.80 1i1i h ALA 102 Ca 0.13 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1i1i h ALA 102 Cb 0.25 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1i1i h ALA 102 CO -0.00 -0.34 0.34 0.22 0.00 0.00 0.00 179.25 179.47 1i1i h ASP 103 N 0.18 0.36 -0.14 0.00 -0.00 -0.38 0.57 116.42 117.01 1i1i h ASP 103 Ca 0.15 0.00 -0.09 0.00 -0.00 0.00 0.00 57.03 57.10 1i1i h ASP 103 Cb 0.17 -0.07 0.00 0.00 -0.00 0.00 0.00 39.33 39.42 1i1i h ASP 103 CO -0.20 0.23 -0.26 0.50 -0.00 0.00 0.00 179.24 179.51 1i1i h LYS 104 N 0.41 0.43 -0.23 0.28 3.64 -0.55 -0.02 116.57 120.53 1i1i h LYS 104 Ca 0.23 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1i1i h LYS 104 Cb 0.37 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1i1i h LYS 104 CO -0.06 0.87 0.00 0.87 -2.27 0.00 0.00 179.45 178.86 1i1i h LYS 105 N 0.04 0.40 -0.53 1.90 1.57 -0.89 -1.95 116.57 117.11 1i1i h LYS 105 Ca 0.01 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1i1i h LYS 105 Cb 0.85 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.09 1i1i h LYS 105 CO 0.06 0.58 0.23 -0.07 -0.57 0.00 0.00 179.45 179.68 1i1i h LEU 106 N 0.17 0.67 -0.61 2.94 3.38 -0.93 0.15 115.31 121.07 1i1i h LEU 106 Ca 0.06 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1i1i h LEU 106 Cb 0.40 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1i1i h LEU 106 CO 0.01 0.59 -0.53 0.28 0.09 0.00 0.00 178.44 178.89 1i1i h SER 107 N 0.74 0.50 0.03 -0.43 0.02 -0.87 0.31 113.55 113.86 1i1i h SER 107 Ca 0.18 -0.26 -0.15 0.00 -0.84 0.00 0.00 61.79 60.72 1i1i h SER 107 Cb 0.12 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1i1i h SER 107 CO -0.02 0.93 -0.51 0.03 -1.14 0.00 0.00 176.83 176.12 1i1i h ARG 108 N 0.35 0.53 -0.47 3.45 3.08 -0.82 -2.64 114.38 117.86 1i1i h ARG 108 Ca 0.01 -0.31 -0.09 0.00 0.07 0.00 0.00 59.98 59.66 1i1i h ARG 108 Cb 1.04 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 1i1i h ARG 108 CO 0.09 0.91 -0.05 0.35 -1.07 0.00 0.00 179.97 180.21 1i1i h PHE 109 N 0.42 0.96 -0.76 3.04 3.57 -0.65 -1.69 116.94 121.82 1i1i h PHE 109 Ca 0.02 -0.18 0.07 0.00 3.53 0.00 0.00 57.97 61.41 1i1i h PHE 109 Cb 1.03 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.47 1i1i h PHE 109 CO 0.04 0.93 0.44 -0.44 -2.23 0.00 0.00 178.31 177.04 1i1i h ASP 110 N 0.72 0.64 -0.23 0.41 3.45 -0.80 -0.41 116.42 120.20 1i1i h ASP 110 Ca 0.13 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.60 1i1i h ASP 110 Cb 0.57 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.24 1i1i h ASP 110 CO 0.03 0.40 0.07 0.40 -1.57 0.00 0.00 179.24 178.57 1i1i h ILE 111 N 0.77 1.20 -0.27 0.35 2.04 -1.28 -2.13 117.51 118.19 1i1i h ILE 111 Ca 0.35 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.63 1i1i h ILE 111 Cb 0.25 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 1i1i h ILE 111 CO -0.21 0.20 -0.10 -0.33 0.00 0.00 0.00 178.15 177.72 1i1i h GLU 112 N 0.21 -0.04 -0.34 2.37 5.08 -0.51 -2.26 114.58 119.08 1i1i h GLU 112 Ca 0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1i1i h GLU 112 Cb 0.25 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1i1i h GLU 112 CO -0.00 -0.03 0.00 0.52 -1.00 0.00 0.00 179.01 178.50 1i1i h MET 113 N -0.04 0.52 0.00 2.33 2.86 -1.00 -1.67 114.93 117.93 1i1i h MET 113 Ca 0.14 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1i1i h MET 113 Cb 0.25 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1i1i h MET 113 CO -0.30 0.55 0.00 -1.13 1.06 0.00 0.00 176.91 177.08 1i1i n SER 114 N -4.28 0.17 -1.54 1.22 3.41 -0.81 -2.53 113.62 109.26 1i1i n SER 114 Ca 0.01 0.53 0.08 0.00 -0.26 0.00 0.00 58.87 59.24 1i1i n SER 114 Cb 0.24 -0.57 0.35 0.00 -0.26 0.00 0.00 64.21 63.97 1i1i n SER 114 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1i1i n MET 115 N -1.68 3.96 -2.53 4.33 2.00 -0.63 -4.88 117.12 117.68 1i1i n MET 115 Ca 0.05 -2.93 -0.41 0.00 0.00 0.00 0.00 57.70 54.41 1i1i n MET 115 Cb 0.26 -1.98 -0.03 0.00 0.00 0.00 0.00 33.22 31.47 1i1i n MET 115 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1i1i s ARG 116 N -2.24 3.34 0.24 0.03 1.81 -1.05 -4.86 118.95 116.23 1i1i s ARG 116 Ca 0.50 -0.61 -0.06 0.00 -1.72 0.00 0.00 55.73 53.84 1i1i s ARG 116 Cb 0.35 -4.72 0.27 0.00 -0.45 0.00 0.00 34.95 30.40 1i1i s ARG 116 CO 0.19 -2.21 1.89 1.49 -0.68 0.00 0.00 175.30 175.98 1i1i h GLU 117 N 10.07 1.13 -0.80 3.54 4.57 -1.91 -1.64 114.58 129.54 1i1i h GLU 117 Ca -0.06 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.09 1i1i h GLU 117 Cb 1.03 -0.26 -0.05 0.00 -0.16 0.00 0.00 28.75 29.32 1i1i h GLU 117 CO 1.34 0.75 0.50 0.38 -1.18 0.00 0.00 179.01 180.81 1i1i h ASP 118 N 1.17 0.83 -0.39 1.04 2.03 -1.89 -0.86 116.42 118.35 1i1i h ASP 118 Ca 0.36 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.52 1i1i h ASP 118 Cb -0.03 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 38.29 1i1i h ASP 118 CO -0.11 0.56 -0.31 0.58 -1.03 0.00 0.00 179.24 178.93 1i1i h VAL 119 N 0.97 1.28 -0.25 4.15 2.07 -1.70 -3.10 116.25 119.67 1i1i h VAL 119 Ca 0.32 -1.48 0.05 0.00 0.82 0.00 0.00 66.70 66.42 1i1i h VAL 119 Cb 0.04 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1i1i h VAL 119 CO -0.12 0.49 -0.07 0.15 0.02 0.00 0.00 177.57 178.04 1i1i h PHE 120 N 0.71 -0.16 -0.51 1.57 3.57 -0.73 -2.41 116.94 118.98 1i1i h PHE 120 Ca 0.07 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.70 1i1i h PHE 120 Cb 0.90 0.11 -0.10 0.00 2.79 0.00 0.00 35.95 39.65 1i1i h PHE 120 CO 0.06 -0.12 -0.15 1.96 -2.23 0.00 0.00 178.31 177.83 1i1i h GLN 121 N -0.02 -0.03 -0.77 1.11 4.20 -1.12 -0.92 115.11 117.56 1i1i h GLN 121 Ca 0.12 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.88 1i1i h GLN 121 Cb 0.20 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 1i1i h GLN 121 CO -0.27 -0.02 0.48 0.00 -0.67 0.00 0.00 178.83 178.35 1i1i h ARG 122 N -0.03 0.88 -0.16 1.46 -0.00 -1.38 -1.31 114.38 113.84 1i1i h ARG 122 Ca 0.24 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.98 59.53 1i1i h ARG 122 Cb 0.40 -0.20 -0.01 0.00 0.00 0.00 0.00 29.97 30.17 1i1i h ARG 122 CO -0.54 0.58 -0.50 0.82 0.00 0.00 0.00 179.97 180.34 1i1i h ILE 123 N 0.90 1.33 -0.45 2.04 2.04 -0.92 -0.55 117.51 121.91 1i1i h ILE 123 Ca 0.32 -1.73 -0.04 0.00 1.00 0.00 0.00 64.86 64.42 1i1i h ILE 123 Cb 0.09 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1i1i h ILE 123 CO -0.14 0.53 0.14 0.58 0.00 0.00 0.00 178.15 179.26 1i1i h VAL 124 N 0.34 1.22 -0.07 1.67 2.07 -0.72 -2.03 116.25 118.73 1i1i h VAL 124 Ca 0.02 -0.74 -0.11 0.00 0.82 0.00 0.00 66.70 66.69 1i1i h VAL 124 Cb 0.99 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1i1i h VAL 124 CO 0.09 0.27 -0.44 0.45 0.02 0.00 0.00 177.57 177.95 1i1i h HIS 125 N 0.59 0.20 0.01 1.57 3.86 -1.12 -2.98 115.15 117.28 1i1i h HIS 125 Ca 0.15 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1i1i h HIS 125 Cb 0.27 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1i1i h HIS 125 CO 0.01 0.59 -0.00 1.25 0.86 0.00 0.00 177.93 180.64 1i1i h LEU 126 N 0.14 -0.01 -1.68 2.43 5.85 -0.77 -2.36 115.31 118.91 1i1i h LEU 126 Ca 0.01 -0.15 0.12 0.00 0.84 0.00 0.00 57.88 58.70 1i1i h LEU 126 Cb 0.84 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 1i1i h LEU 126 CO 0.07 0.15 0.43 -0.61 -0.34 0.00 0.00 178.44 178.13 1i1i h GLN 127 N -0.16 0.33 0.00 1.25 4.15 -1.26 0.37 115.11 119.78 1i1i h GLN 127 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1i1i h GLN 127 Cb 0.16 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1i1i h GLN 127 CO 0.00 0.22 0.00 0.39 -1.93 0.00 0.00 178.83 177.51 1i1i n GLU 128 N -4.46 0.00 0.03 1.69 -0.58 -1.06 -3.72 120.64 112.54 1i1i n GLU 128 Ca 0.11 0.17 0.01 0.00 -0.42 0.00 0.00 57.16 57.03 1i1i n GLU 128 Cb 0.46 -0.88 0.05 0.00 -0.57 0.00 0.00 31.44 30.51 1i1i n GLU 128 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1i1i n THR 129 N -1.01 1.08 -3.48 2.62 -2.24 -0.91 -4.53 114.28 105.81 1i1i n THR 129 Ca 0.00 0.54 -0.38 0.00 -2.27 0.00 0.00 64.05 61.94 1i1i n THR 129 Cb 0.00 -1.54 -0.06 0.00 -2.10 0.00 0.00 70.33 66.63 1i1i n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i1i s ASP 131 N -1.07 6.67 0.23 0.00 2.15 -1.26 -4.89 116.67 118.51 1i1i s ASP 131 Ca 0.24 -2.22 0.06 0.00 0.43 0.00 0.00 52.55 51.06 1i1i s ASP 131 Cb -0.17 -2.35 0.30 0.00 -0.30 0.00 0.00 42.92 40.40 1i1i s ASP 131 CO 0.14 -0.94 0.96 0.18 -0.17 0.00 0.00 175.17 175.34 1i1i n LEU 132 N 5.90 0.14 0.05 -1.34 4.32 -1.26 -0.45 117.00 124.36 1i1i n LEU 132 Ca 0.22 0.36 0.12 0.00 -0.02 0.00 0.00 56.01 56.69 1i1i n LEU 132 Cb 0.48 -0.26 0.29 0.00 -1.62 0.00 0.00 43.42 42.31 1i1i n LEU 132 CO 0.46 -0.41 0.55 -0.62 -1.22 0.00 0.00 177.39 176.15 1i1i n GLU 133 N -1.71 0.19 0.00 3.23 -0.58 -1.26 -3.72 120.64 116.78 1i1i n GLU 133 Ca -0.00 0.08 0.13 0.00 -0.42 0.00 0.00 57.16 56.95 1i1i n GLU 133 Cb 0.45 -1.65 0.37 0.00 -0.57 0.00 0.00 31.44 30.04 1i1i n GLU 133 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1i1i n LYS 134 N -1.94 1.83 -4.42 3.49 4.76 0.41 -4.93 118.16 117.36 1i1i n LYS 134 Ca 0.05 -1.25 -0.25 0.00 -2.87 0.00 0.00 58.31 53.99 1i1i n LYS 134 Cb 0.40 -1.47 -0.11 0.00 -1.84 0.00 0.00 35.03 32.01 1i1i n LYS 134 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1i1i s ILE 135 N -2.03 2.26 0.61 -0.18 -4.36 -1.24 -5.12 121.20 111.13 1i1i s ILE 135 Ca 0.34 -2.12 -0.19 0.00 -0.26 0.00 0.00 60.65 58.42 1i1i s ILE 135 Cb 0.21 -2.12 -0.04 0.00 1.25 0.00 0.00 42.46 41.76 1i1i s ILE 135 CO 0.34 -0.25 1.08 0.29 0.24 0.00 0.00 174.94 176.63 1i1i n LYS 136 N 0.00 1.01 -0.31 0.37 5.02 -1.26 -4.81 118.16 118.18 1i1i n LYS 136 Ca -0.10 0.39 0.10 0.00 -2.02 0.00 0.00 58.31 56.67 1i1i n LYS 136 Cb 0.57 -2.29 0.32 0.00 -0.02 0.00 0.00 35.03 33.61 1i1i n LYS 136 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1i1i h PRO 137 N 0.58 0.81 -0.20 1.97 0.11 -1.99 -1.45 132.00 131.83 1i1i h PRO 137 Ca -0.49 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 1i1i h PRO 137 Cb 1.35 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1i1i h PRO 137 CO 0.52 0.53 -0.13 1.49 -0.21 0.00 0.00 178.00 180.20 1i1i h GLU 138 N 0.83 0.32 -0.00 1.05 4.81 -1.90 -1.34 114.58 118.35 1i1i h GLU 138 Ca 0.47 -0.08 -0.15 0.00 -0.13 0.00 0.00 59.36 59.46 1i1i h GLU 138 Cb 0.60 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1i1i h GLU 138 CO -0.23 0.45 -0.72 0.00 -0.73 0.00 0.00 179.01 177.78 1i1i h ALA 139 N 1.57 0.80 -0.41 2.92 0.00 -1.62 0.32 119.26 122.84 1i1i h ALA 139 Ca 0.06 -0.65 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 1i1i h ALA 139 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1i1i h ALA 139 CO 0.02 0.89 0.00 0.00 0.00 0.00 0.00 179.25 180.17 1i1i h ARG 140 N 0.02 0.73 -0.57 0.00 3.08 -1.07 -1.99 114.38 114.58 1i1i h ARG 140 Ca -0.01 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 1i1i h ARG 140 Cb 1.28 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 1i1i h ARG 140 CO 0.10 0.81 0.31 -0.09 -1.07 0.00 0.00 179.97 180.02 1i1i h ARG 141 N 0.56 0.79 -0.05 0.04 2.43 -1.04 -0.67 114.38 116.44 1i1i h ARG 141 Ca 0.12 -0.09 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1i1i h ARG 141 Cb 0.48 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 1i1i h ARG 141 CO 0.02 0.61 -0.31 -0.92 -1.51 0.00 0.00 179.97 177.86 1i1i h TYR 142 N 0.76 -0.84 0.31 2.20 3.20 -0.60 0.20 116.97 122.19 1i1i h TYR 142 Ca 0.20 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 1i1i h TYR 142 Cb 0.05 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1i1i h TYR 142 CO -0.01 -0.39 -0.30 -0.07 -1.64 0.00 0.00 178.16 175.75 1i1i h LEU 143 N -0.43 -0.79 -0.47 2.82 3.38 -1.08 -0.09 115.31 118.65 1i1i h LEU 143 Ca 0.08 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1i1i h LEU 143 Cb 0.54 0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.49 1i1i h LEU 143 CO -0.29 -0.43 0.09 -0.08 0.09 0.00 0.00 178.44 177.82 1i1i h GLU 144 N -0.63 0.22 -0.54 1.13 4.57 -0.85 0.44 114.58 118.91 1i1i h GLU 144 Ca -0.02 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 1i1i h GLU 144 Cb 0.57 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 1i1i h GLU 144 CO -0.05 0.14 0.04 0.87 -1.18 0.00 0.00 179.01 178.84 1i1i h LYS 145 N 0.22 0.93 -0.08 1.92 1.79 -0.52 0.11 116.57 120.94 1i1i h LYS 145 Ca 0.23 -0.27 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1i1i h LYS 145 Cb 0.31 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1i1i h LYS 145 CO -0.31 0.92 0.04 0.77 -1.08 0.00 0.00 179.45 179.79 1i1i h SER 146 N 0.81 0.11 -0.80 0.86 0.02 -0.37 1.00 113.55 115.17 1i1i h SER 146 Ca 0.16 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1i1i h SER 146 Cb 0.47 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 1i1i h SER 146 CO 0.02 0.19 0.46 0.40 -1.14 0.00 0.00 176.83 176.76 1i1i h ILE 147 N 0.01 1.23 -0.76 3.27 2.04 -0.87 -1.22 117.51 121.22 1i1i h ILE 147 Ca 0.03 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 1i1i h ILE 147 Cb 0.11 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 1i1i h ILE 147 CO -0.00 0.25 0.46 0.50 0.00 0.00 0.00 178.15 179.35 1i1i h LYS 148 N 1.10 1.02 -0.26 2.37 1.63 -0.62 -0.69 116.57 121.12 1i1i h LYS 148 Ca 0.28 -0.09 -0.07 0.00 -0.85 0.00 0.00 60.65 59.92 1i1i h LYS 148 Cb -0.01 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.39 1i1i h LYS 148 CO -0.05 0.72 -0.16 0.52 -3.45 0.00 0.00 179.45 177.03 1i1i h MET 149 N 1.03 0.45 -0.37 1.90 2.86 -0.29 -0.85 114.93 119.66 1i1i h MET 149 Ca 0.27 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1i1i h MET 149 Cb -0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1i1i h MET 149 CO -0.05 0.60 0.03 0.78 1.06 0.00 0.00 176.91 179.34 1i1i h GLY 150 N 0.94 0.69 1.30 8.32 0.00 -0.43 -1.46 103.07 112.43 1i1i h GLY 150 Ca 0.07 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 1i1i h GLY 150 CO 0.03 0.44 0.11 0.50 0.00 0.00 0.00 176.54 177.63 1i1i h LYS 151 N 0.47 0.87 0.00 4.80 1.57 -0.76 -0.19 116.57 123.32 1i1i h LYS 151 Ca 0.11 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1i1i h LYS 151 Cb 0.41 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1i1i h LYS 151 CO 0.01 0.79 0.00 0.00 -0.57 0.00 0.00 179.45 179.69 1i1i h ARG 152 N 0.83 0.00 -0.02 3.15 3.08 -0.91 0.73 114.38 121.25 1i1i h ARG 152 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1i1i h ARG 152 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1i1i h ARG 152 CO 0.00 0.00 -0.32 0.09 -1.07 0.00 0.00 179.97 178.67 1i1i n ASN 153 N -2.86 1.91 0.00 7.04 3.02 -0.22 -4.96 115.26 119.19 1i1i n ASN 153 Ca -0.00 -1.45 0.00 0.00 -0.03 0.00 0.00 54.58 53.10 1i1i n ASN 153 Cb 0.21 0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 1i1i n ASN 153 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i1i n GLY 154 N 1.37 0.49 0.00 7.41 0.00 0.25 -4.93 105.19 109.78 1i1i n GLY 154 Ca 0.11 -0.61 0.04 0.00 0.00 0.00 0.00 46.02 45.56 1i1i n GLY 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i1i n LEU 155 N 0.00 0.00 -0.03 0.99 4.77 -0.43 -1.17 117.00 121.13 1i1i n LEU 155 Ca 0.00 0.36 0.10 0.00 -0.03 0.00 0.00 56.01 56.44 1i1i n LEU 155 Cb 0.00 -0.36 -0.10 0.00 -2.33 0.00 0.00 43.42 40.63 1i1i n LEU 155 CO 0.00 -0.26 -0.01 0.00 -1.33 0.00 0.00 177.39 175.80 1i1i n HIS 156 N -1.36 0.00 -2.51 -1.77 1.44 -1.26 -4.93 115.22 104.83 1i1i n HIS 156 Ca 0.03 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.46 1i1i n HIS 156 Cb 0.08 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.18 1i1i n HIS 156 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1i1i s LEU 157 N -2.97 3.55 0.78 2.39 1.43 -0.31 -5.05 118.68 118.49 1i1i s LEU 157 Ca 0.09 0.99 -0.15 0.00 -1.03 0.00 0.00 54.13 54.04 1i1i s LEU 157 Cb 0.16 -3.96 0.04 0.00 0.03 0.00 0.00 46.19 42.46 1i1i s LEU 157 CO 0.85 -0.64 1.01 -1.54 0.23 0.00 0.00 176.35 176.25 1i1i n SER 158 N -2.35 0.44 -0.29 2.29 3.41 -1.26 -4.72 113.62 111.14 1i1i n SER 158 Ca 0.02 0.60 0.07 0.00 -0.26 0.00 0.00 58.87 59.30 1i1i n SER 158 Cb 0.55 -1.43 0.29 0.00 -0.26 0.00 0.00 64.21 63.37 1i1i n SER 158 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1i1i h GLU 159 N -0.64 0.86 -0.13 4.33 4.81 -1.96 -1.88 114.58 119.97 1i1i h GLU 159 Ca -0.46 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.73 1i1i h GLU 159 Cb 1.32 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 1i1i h GLU 159 CO 0.45 0.57 0.02 1.25 -0.73 0.00 0.00 179.01 180.57 1i1i h HIS 160 N 0.89 0.03 -0.46 0.92 2.76 -2.00 -1.55 115.15 115.75 1i1i h HIS 160 Ca 0.41 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.50 1i1i h HIS 160 Cb 0.40 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 1i1i h HIS 160 CO -0.00 0.01 -0.08 0.82 -1.30 0.00 0.00 177.93 177.38 1i1i h ILE 161 N 0.07 1.26 -0.51 6.26 2.04 -1.76 -2.50 117.51 122.37 1i1i h ILE 161 Ca 0.06 -1.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 1i1i h ILE 161 Cb 0.05 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1i1i h ILE 161 CO -0.08 0.39 0.11 0.03 0.00 0.00 0.00 178.15 178.60 1i1i h ARG 162 N 0.74 0.82 -0.78 2.37 3.08 -1.12 -1.63 114.38 117.86 1i1i h ARG 162 Ca 0.13 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1i1i h ARG 162 Cb 0.56 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1i1i h ARG 162 CO 0.03 0.80 0.46 -0.91 -1.07 0.00 0.00 179.97 179.28 1i1i h ASN 163 N 0.70 0.93 -0.28 7.04 2.35 -1.15 -1.29 115.58 123.88 1i1i h ASN 163 Ca 0.16 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1i1i h ASN 163 Cb 0.35 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1i1i h ASN 163 CO 0.00 0.72 0.09 -0.33 -1.65 0.00 0.00 177.43 176.26 1i1i h GLU 164 N 1.07 0.44 -0.53 0.81 5.08 -1.07 -1.60 114.58 118.78 1i1i h GLU 164 Ca 0.28 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1i1i h GLU 164 Cb -0.04 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1i1i h GLU 164 CO -0.05 0.50 0.35 0.82 -1.00 0.00 0.00 179.01 179.64 1i1i h ILE 165 N 0.30 1.03 0.44 3.13 2.04 -0.77 -2.23 117.51 121.44 1i1i h ILE 165 Ca 0.09 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1i1i h ILE 165 Cb 0.25 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1i1i h ILE 165 CO -0.00 0.10 -0.21 0.50 0.00 0.00 0.00 178.15 178.54 1i1i h LYS 166 N 0.56 -0.57 -0.21 2.37 3.64 -0.86 -0.25 116.57 121.25 1i1i h LYS 166 Ca 0.22 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.70 1i1i h LYS 166 Cb 0.18 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1i1i h LYS 166 CO -0.06 -0.28 0.37 0.66 -2.27 0.00 0.00 179.45 177.87 1i1i h SER 167 N -1.02 0.00 0.13 4.20 4.64 -1.11 0.17 113.55 120.56 1i1i h SER 167 Ca -0.06 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.95 1i1i h SER 167 Cb 0.56 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1i1i h SER 167 CO 0.10 0.00 -1.61 0.24 -0.87 0.00 0.00 176.83 174.69 1i1i h MET 168 N 0.00 0.27 -0.14 4.77 2.86 -1.30 -3.18 114.93 118.21 1i1i h MET 168 Ca 0.10 -0.47 -0.11 0.00 -2.06 0.00 0.00 59.70 57.16 1i1i h MET 168 Cb 0.83 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 1i1i h MET 168 CO -0.00 1.22 -0.41 0.87 1.06 0.00 0.00 176.91 179.65 1i1i h LYS 169 N -0.17 0.32 -0.08 1.72 1.57 0.30 -0.19 116.57 120.05 1i1i h LYS 169 Ca -0.34 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.18 1i1i h LYS 169 Cb 1.87 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.17 1i1i h LYS 169 CO 0.08 0.68 -0.44 -0.22 -0.57 0.00 0.00 179.45 178.99 1i1i h LYS 170 N 0.27 0.17 0.00 3.15 3.64 -0.87 -1.58 116.57 121.35 1i1i h LYS 170 Ca 0.02 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 1i1i h LYS 170 Cb 0.84 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1i1i h LYS 170 CO 0.07 0.58 -0.54 -0.09 -2.27 0.00 0.00 179.45 177.20 1i1i h ARG 171 N 0.14 0.00 0.00 1.90 2.43 -1.44 -2.94 114.38 114.47 1i1i h ARG 171 Ca 0.01 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1i1i h ARG 171 Cb 0.83 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1i1i h ARG 171 CO 0.06 0.30 -0.40 0.52 -1.51 0.00 0.00 179.97 178.95 1i1i h MET 172 N 0.00 0.00 0.18 0.20 2.86 -0.64 -2.50 114.93 115.04 1i1i h MET 172 Ca -0.02 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.32 1i1i h MET 172 Cb 1.28 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.97 1i1i h MET 172 CO 0.04 0.31 -1.28 0.77 1.06 0.00 0.00 176.91 177.81 1i1i h SER 173 N 0.00 0.82 -0.53 1.22 0.02 -1.32 -2.37 113.55 111.39 1i1i h SER 173 Ca -0.01 -0.88 -0.05 0.00 -0.84 0.00 0.00 61.79 60.01 1i1i h SER 173 Cb 1.25 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 1i1i h SER 173 CO 0.04 1.62 0.15 -0.33 -1.14 0.00 0.00 176.83 177.18 1i1i h GLU 174 N 0.14 0.88 -0.41 3.45 5.08 -1.55 -0.60 114.58 121.58 1i1i h GLU 174 Ca -0.21 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 57.89 1i1i h GLU 174 Cb 1.98 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.08 1i1i h GLU 174 CO 0.24 0.78 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.91 1i1i h LEU 175 N 0.85 0.75 -0.70 1.33 3.38 -1.46 -1.85 115.31 117.61 1i1i h LEU 175 Ca 0.19 -0.34 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 1i1i h LEU 175 Cb 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1i1i h LEU 175 CO -0.00 0.92 -0.41 0.00 0.09 0.00 0.00 178.44 179.03 1i1i h ILE 177 N 0.43 1.34 0.03 0.00 1.08 -1.05 -2.42 117.51 116.92 1i1i h ILE 177 Ca 0.04 -1.64 -0.20 0.00 -0.39 0.00 0.00 64.86 62.67 1i1i h ILE 177 Cb 0.90 1.82 0.02 0.00 -3.07 0.00 0.00 36.82 36.49 1i1i h ILE 177 CO 0.08 0.48 -0.82 -0.78 -0.69 0.00 0.00 178.15 176.42 1i1i h ASP 178 N 0.10 0.66 -0.41 1.72 -0.00 -1.06 -0.72 116.42 116.71 1i1i h ASP 178 Ca 0.00 -0.79 0.07 0.00 -0.00 0.00 0.00 57.03 56.31 1i1i h ASP 178 Cb 0.87 -0.20 -0.06 0.00 -0.00 0.00 0.00 39.33 39.93 1i1i h ASP 178 CO 0.07 1.37 0.06 0.15 -0.00 0.00 0.00 179.24 180.89 1i1i h PHE 179 N 0.03 0.09 -0.18 0.28 3.57 -1.01 -0.46 116.94 119.26 1i1i h PHE 179 Ca -0.11 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.34 1i1i h PHE 179 Cb 1.52 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 40.28 1i1i h PHE 179 CO 0.14 -0.01 -0.18 -0.91 -2.23 0.00 0.00 178.31 175.12 1i1i h ASN 180 N 0.18 0.48 -0.51 0.41 -0.26 -1.48 -3.03 115.58 111.37 1i1i h ASN 180 Ca 0.20 -0.48 0.07 0.00 -0.56 0.00 0.00 56.30 55.53 1i1i h ASN 180 Cb 0.25 -0.13 -0.06 0.00 -1.06 0.00 0.00 38.32 37.32 1i1i h ASN 180 CO -0.28 0.85 0.17 0.50 -1.06 0.00 0.00 177.43 177.62 1i1i h LYS 181 N 0.10 0.33 0.18 0.81 3.64 -0.81 -0.49 116.57 120.33 1i1i h LYS 181 Ca 0.03 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1i1i h LYS 181 Cb 0.72 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 1i1i h LYS 181 CO 0.04 0.22 -0.38 -0.91 -2.27 0.00 0.00 179.45 176.16 1i1i h ASN 182 N 0.34 -1.09 -0.93 4.20 2.35 -1.09 0.52 115.58 119.88 1i1i h ASN 182 Ca 0.25 0.12 0.04 0.00 -0.55 0.00 0.00 56.30 56.15 1i1i h ASN 182 Cb 0.27 0.40 -0.05 0.00 0.05 0.00 0.00 38.32 38.99 1i1i h ASN 182 CO -0.26 -0.47 0.61 -0.07 -1.65 0.00 0.00 177.43 175.59 1i1i h LEU 183 N -0.65 1.00 -0.18 1.61 3.38 -1.34 -2.15 115.31 116.98 1i1i h LEU 183 Ca 0.01 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1i1i h LEU 183 Cb 0.65 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1i1i h LEU 183 CO -0.19 0.69 -0.19 0.78 0.09 0.00 0.00 178.44 179.62 1i1i h ASN 184 N 1.16 0.48 0.00 -0.43 2.35 -0.70 -3.12 115.58 115.33 1i1i h ASN 184 Ca 0.37 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1i1i h ASN 184 Cb 0.02 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1i1i h ASN 184 CO -0.11 0.86 0.00 -0.62 -1.65 0.00 0.00 177.43 175.91 1i1i n GLU 185 N -4.48 0.91 -2.39 0.81 1.02 0.14 -4.82 120.64 111.82 1i1i n GLU 185 Ca -0.06 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.67 1i1i n GLU 185 Cb 0.39 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.28 1i1i n GLU 185 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1i1i s ASP 186 N -1.99 7.11 -0.30 1.62 -1.08 -0.82 -4.95 116.67 116.25 1i1i s ASP 186 Ca 0.43 2.20 0.17 0.00 -0.52 0.00 0.00 52.55 54.83 1i1i s ASP 186 Cb 0.20 -2.60 0.48 0.00 -1.46 0.00 0.00 42.92 39.53 1i1i s ASP 186 CO 0.33 -0.36 1.08 -0.90 0.52 0.00 0.00 175.17 175.84 1i1i n ASP 187 N 2.59 2.49 -4.77 -0.34 3.85 -1.26 -5.02 116.55 114.09 1i1i n ASP 187 Ca 0.04 -2.70 -0.40 0.00 -0.71 0.00 0.00 54.79 51.03 1i1i n ASP 187 Cb 0.45 -0.47 0.00 0.00 -1.35 0.00 0.00 41.12 39.75 1i1i n ASP 187 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1i1i s THR 188 N -3.96 2.38 0.04 2.12 2.01 -1.26 -4.99 115.64 111.98 1i1i s THR 188 Ca 0.34 0.35 -0.01 0.00 0.31 0.00 0.00 61.69 62.67 1i1i s THR 188 Cb 0.38 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 1i1i s THR 188 CO -0.02 0.06 -0.02 -0.55 -0.69 0.00 0.00 174.62 173.40 1i1i s SER 189 N -0.55 0.37 0.09 3.53 0.15 -1.26 -3.24 113.70 112.79 1i1i s SER 189 Ca 0.57 -0.77 0.05 0.00 0.70 0.00 0.00 55.95 56.49 1i1i s SER 189 Cb -0.41 0.17 -0.03 0.00 -1.71 0.00 0.00 66.02 64.03 1i1i s SER 189 CO 0.54 -0.48 -0.13 -0.76 1.20 0.00 0.00 173.24 173.61 1i1i s LEU 190 N -2.30 2.36 -0.17 3.45 1.43 0.39 -4.96 118.68 118.87 1i1i s LEU 190 Ca -0.03 -0.74 0.01 0.00 -1.03 0.00 0.00 54.13 52.35 1i1i s LEU 190 Cb 0.00 -0.44 0.01 0.00 0.03 0.00 0.00 46.19 45.80 1i1i s LEU 190 CO -0.06 -0.16 -0.20 0.68 0.23 0.00 0.00 176.35 176.83 1i1i s VAL 191 N -1.93 2.11 0.09 -1.59 -7.23 -1.26 -0.05 120.40 110.54 1i1i s VAL 191 Ca 0.04 -0.94 0.08 0.00 -1.81 0.00 0.00 61.98 59.34 1i1i s VAL 191 Cb -0.06 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 1i1i s VAL 191 CO 0.02 0.54 -0.20 -0.36 -0.31 0.00 0.00 175.10 174.79 1i1i s PHE 192 N 1.11 1.71 0.69 2.82 0.40 -0.78 -4.90 117.98 119.03 1i1i s PHE 192 Ca 0.00 -0.42 -0.10 0.00 -0.60 0.00 0.00 56.93 55.82 1i1i s PHE 192 Cb -0.14 -0.95 0.03 0.00 0.51 0.00 0.00 43.02 42.47 1i1i s PHE 192 CO -0.08 0.18 1.05 -1.54 0.70 0.00 0.00 175.22 175.53 1i1i s SER 193 N -1.84 5.28 0.42 1.36 1.04 -1.26 -0.49 113.70 118.21 1i1i s SER 193 Ca 0.05 0.91 0.10 0.00 0.48 0.00 0.00 55.95 57.50 1i1i s SER 193 Cb -0.10 -1.70 0.92 0.00 0.10 0.00 0.00 66.02 65.24 1i1i s SER 193 CO 0.04 -1.38 2.01 0.50 0.98 0.00 0.00 173.24 175.38 1i1i h LYS 194 N -0.59 0.26 -0.60 4.02 3.64 -1.96 -1.61 116.57 119.72 1i1i h LYS 194 Ca -0.45 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1i1i h LYS 194 Cb 1.27 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 1i1i h LYS 194 CO 0.63 0.28 0.33 0.00 -2.27 0.00 0.00 179.45 178.42 1i1i h ALA 195 N 1.76 1.46 0.00 5.00 0.00 -1.95 -1.59 119.26 123.93 1i1i h ALA 195 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1i1i h ALA 195 Cb 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1i1i h ALA 195 CO 0.00 0.45 0.00 0.93 0.00 0.00 0.00 179.25 180.64 1i1i h GLU 196 N 0.83 0.00 -0.74 0.00 5.08 -1.66 -3.14 114.58 114.96 1i1i h GLU 196 Ca 0.21 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 58.12 1i1i h GLU 196 Cb 0.02 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.01 1i1i h GLU 196 CO -0.04 0.00 0.21 1.28 -1.00 0.00 0.00 179.01 179.46 1i1i n LEU 197 N -2.41 5.81 -4.71 1.33 4.77 -0.61 -4.70 117.00 116.48 1i1i n LEU 197 Ca 0.04 -4.06 -0.41 0.00 -0.03 0.00 0.00 56.01 51.55 1i1i n LEU 197 Cb 0.38 -0.72 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1i1i n LEU 197 CO 0.27 1.43 0.91 0.61 -1.33 0.00 0.00 177.39 179.28 1i1i n GLY 198 N -1.01 0.60 2.99 -0.72 0.00 -1.19 -2.47 105.19 103.39 1i1i n GLY 198 Ca 0.49 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1i1i n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1i n ALA 199 N -0.17 0.00 -1.87 4.61 0.00 -1.26 -1.79 120.51 120.04 1i1i n ALA 199 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 1i1i n ALA 199 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 1i1i n ALA 199 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i1i s LEU 200 N 0.00 4.47 0.75 0.00 1.43 -1.03 -4.84 118.68 119.46 1i1i s LEU 200 Ca 0.00 2.42 -0.15 0.00 -1.03 0.00 0.00 54.13 55.37 1i1i s LEU 200 Cb 0.00 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.61 1i1i s LEU 200 CO 0.00 -0.39 0.93 -2.65 0.23 0.00 0.00 176.35 174.47 1i1i n PRO 201 N 1.62 0.38 0.01 1.29 -0.02 -1.26 -4.82 135.00 132.19 1i1i n PRO 201 Ca 0.02 0.19 -0.03 0.00 -2.02 0.00 0.00 63.50 61.66 1i1i n PRO 201 Cb 0.43 -2.20 0.22 0.00 -0.02 0.00 0.00 33.50 31.93 1i1i n PRO 201 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1i1i h ASP 202 N -0.46 0.50 -0.08 2.55 3.45 -1.99 -2.03 116.42 118.36 1i1i h ASP 202 Ca -0.47 -0.15 -0.02 0.00 0.43 0.00 0.00 57.03 56.82 1i1i h ASP 202 Cb 1.33 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.95 1i1i h ASP 202 CO 0.45 0.71 0.01 0.44 -1.57 0.00 0.00 179.24 179.28 1i1i h ASP 203 N 0.46 0.19 0.04 6.45 5.19 -1.99 0.32 116.42 127.08 1i1i h ASP 203 Ca 0.07 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1i1i h ASP 203 Cb 0.60 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.06 1i1i h ASP 203 CO 0.04 0.22 -0.02 0.15 -3.12 0.00 0.00 179.24 176.51 1i1i h PHE 204 N 0.21 -0.05 -0.74 4.55 3.57 -1.75 -3.21 116.94 119.53 1i1i h PHE 204 Ca 0.05 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1i1i h PHE 204 Cb 0.13 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 1i1i h PHE 204 CO 0.00 0.61 0.47 0.82 -2.23 0.00 0.00 178.31 177.98 1i1i h ILE 205 N -0.85 1.20 -0.41 1.41 2.04 -1.16 -2.50 117.51 117.24 1i1i h ILE 205 Ca -0.01 -0.40 0.10 0.00 1.00 0.00 0.00 64.86 65.55 1i1i h ILE 205 Cb 0.68 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1i1i h ILE 205 CO 0.01 0.20 0.29 0.44 0.00 0.00 0.00 178.15 179.09 1i1i h ASP 206 N 1.00 0.12 0.05 1.72 3.45 -0.47 -0.36 116.42 121.93 1i1i h ASP 206 Ca 0.27 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.73 1i1i h ASP 206 Cb -0.08 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 1i1i h ASP 206 CO -0.05 0.07 -0.02 -1.54 -1.57 0.00 0.00 179.24 176.13 1i1i n SER 207 N -4.45 0.67 -4.85 6.45 3.41 -0.94 -4.86 113.62 109.05 1i1i n SER 207 Ca 0.06 -1.13 -0.35 0.00 -0.26 0.00 0.00 58.87 57.20 1i1i n SER 207 Cb 0.40 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.28 1i1i n SER 207 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1i1i s LEU 208 N -2.08 4.33 0.46 1.04 1.43 -0.15 -5.06 118.68 118.65 1i1i s LEU 208 Ca 0.41 1.02 -0.22 0.00 -1.03 0.00 0.00 54.13 54.31 1i1i s LEU 208 Cb 0.21 -3.25 -0.08 0.00 0.03 0.00 0.00 46.19 43.09 1i1i s LEU 208 CO 0.37 0.10 1.06 -0.70 0.23 0.00 0.00 176.35 177.41 1i1i s GLU 209 N -2.02 3.90 0.00 1.70 2.12 -1.26 -4.85 118.70 118.29 1i1i s GLU 209 Ca 0.38 1.46 0.04 0.00 0.36 0.00 0.00 54.97 57.21 1i1i s GLU 209 Cb -0.15 -2.27 -0.03 0.00 0.26 0.00 0.00 34.13 31.94 1i1i s GLU 209 CO 0.19 -0.37 -0.10 0.21 -0.54 0.00 0.00 175.26 174.65 1i1i s LYS 210 N -2.93 2.45 0.75 4.30 2.20 -1.26 -0.31 119.74 124.93 1i1i s LYS 210 Ca 0.64 -0.77 -0.01 0.00 -0.36 0.00 0.00 55.97 55.47 1i1i s LYS 210 Cb -0.20 -2.42 0.14 0.00 -1.51 0.00 0.00 37.83 33.85 1i1i s LYS 210 CO 0.24 0.59 1.02 0.95 -0.36 0.00 0.00 175.35 177.80 1i1i s THR 211 N -0.93 2.07 -1.41 3.43 -4.23 0.01 -4.94 115.64 109.64 1i1i s THR 211 Ca 0.15 -0.58 0.10 0.00 -1.18 0.00 0.00 61.69 60.18 1i1i s THR 211 Cb -0.11 -2.49 0.17 0.00 1.34 0.00 0.00 72.50 71.41 1i1i s THR 211 CO 0.06 0.00 1.21 -0.90 -0.54 0.00 0.00 174.62 174.45 1i1i n ASP 212 N -2.91 0.00 -4.94 3.99 3.85 -1.26 -4.57 116.55 110.71 1i1i n ASP 212 Ca 0.16 0.16 -0.25 0.00 -0.71 0.00 0.00 54.79 54.14 1i1i n ASP 212 Cb 0.61 -0.29 0.01 0.00 -1.35 0.00 0.00 41.12 40.10 1i1i n ASP 212 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1i1i s GLU 213 N -2.59 2.24 -0.19 0.11 2.02 -1.26 -4.98 118.70 114.06 1i1i s GLU 213 Ca 0.09 -1.97 -0.04 0.00 0.02 0.00 0.00 54.97 53.07 1i1i s GLU 213 Cb 0.07 -2.21 -0.09 0.00 0.10 0.00 0.00 34.13 31.99 1i1i s GLU 213 CO 0.15 -0.72 3.07 -3.47 0.02 0.00 0.00 175.26 174.31 1i1i n ASP 214 N -1.91 5.80 -4.40 -0.19 2.03 -1.26 -4.87 116.55 111.75 1i1i n ASP 214 Ca 0.02 -2.79 -0.28 0.00 0.52 0.00 0.00 54.79 52.26 1i1i n ASP 214 Cb 0.64 -1.30 -0.12 0.00 -0.72 0.00 0.00 41.12 39.61 1i1i n ASP 214 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1i1i s LYS 215 N -0.30 1.45 -0.07 -0.67 -0.14 -1.26 -4.42 119.74 114.33 1i1i s LYS 215 Ca 0.56 -1.42 0.02 0.00 -1.36 0.00 0.00 55.97 53.77 1i1i s LYS 215 Cb 0.31 -1.87 -0.03 0.00 -1.68 0.00 0.00 37.83 34.57 1i1i s LYS 215 CO -0.08 0.43 -0.11 0.71 -0.76 0.00 0.00 175.35 175.53 1i1i s TYR 216 N -1.32 2.81 -0.02 3.18 1.51 0.36 -0.81 117.35 123.06 1i1i s TYR 216 Ca 0.17 -0.14 -0.26 0.00 -1.01 0.00 0.00 57.07 55.83 1i1i s TYR 216 Cb -0.09 -1.69 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 1i1i s TYR 216 CO 0.08 0.20 0.82 0.15 -1.11 0.00 0.00 175.55 175.68 1i1i s LYS 217 N -0.63 4.50 -0.14 -0.62 1.02 0.58 -1.86 119.74 122.59 1i1i s LYS 217 Ca 0.09 1.12 0.00 0.00 0.02 0.00 0.00 55.97 57.20 1i1i s LYS 217 Cb -0.11 -3.43 0.03 0.00 -0.52 0.00 0.00 37.83 33.79 1i1i s LYS 217 CO 0.01 0.07 -0.11 0.08 -0.92 0.00 0.00 175.35 174.48 1i1i s VAL 218 N 0.68 1.37 0.86 3.17 1.01 0.93 -4.22 120.40 124.19 1i1i s VAL 218 Ca 0.43 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 1i1i s VAL 218 Cb -0.20 -1.34 0.18 0.00 0.00 0.00 0.00 36.38 35.02 1i1i s VAL 218 CO 0.23 0.39 1.17 0.42 0.00 0.00 0.00 175.10 177.31 1i1i s THR 219 N 1.56 2.03 -2.84 3.92 -4.23 -1.26 -0.46 115.64 114.35 1i1i s THR 219 Ca 0.04 -0.32 0.24 0.00 -1.18 0.00 0.00 61.69 60.47 1i1i s THR 219 Cb -0.13 -2.70 0.28 0.00 1.34 0.00 0.00 72.50 71.28 1i1i s THR 219 CO -0.10 0.00 1.35 0.18 -0.54 0.00 0.00 174.62 175.51 1i1i n LEU 220 N -3.33 2.87 -4.76 4.79 7.99 -1.20 -4.28 117.00 119.08 1i1i n LEU 220 Ca 0.16 -1.01 -0.37 0.00 -0.01 0.00 0.00 56.01 54.78 1i1i n LEU 220 Cb 0.60 -0.04 0.01 0.00 -0.11 0.00 0.00 43.42 43.88 1i1i n LEU 220 CO 0.43 0.51 0.85 -0.54 -1.51 0.00 0.00 177.39 177.13 1i1i s LYS 221 N -1.92 3.40 0.26 3.23 -0.14 -1.26 -4.55 119.74 118.76 1i1i s LYS 221 Ca 0.31 1.84 -0.11 0.00 -1.36 0.00 0.00 55.97 56.65 1i1i s LYS 221 Cb 0.21 -2.20 0.38 0.00 -1.68 0.00 0.00 37.83 34.53 1i1i s LYS 221 CO 0.31 -0.86 1.56 1.88 -0.76 0.00 0.00 175.35 177.48 1i1i h TYR 222 N 1.54 -0.66 -0.12 3.18 -1.99 -1.98 0.93 116.97 117.88 1i1i h TYR 222 Ca -0.50 0.09 0.03 0.00 2.00 0.00 0.00 58.73 60.35 1i1i h TYR 222 Cb 1.27 0.44 -0.00 0.00 2.00 0.00 0.00 36.73 40.43 1i1i h TYR 222 CO 0.50 -0.41 0.31 -1.00 -0.00 0.00 0.00 178.16 177.56 1i1i h PRO 223 N -0.01 0.00 0.00 4.88 0.13 -1.97 -2.27 132.00 132.77 1i1i h PRO 223 Ca 0.42 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 65.14 1i1i h PRO 223 Cb 0.67 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.74 1i1i h PRO 223 CO -0.97 0.00 -2.31 0.72 -0.23 0.00 0.00 178.00 175.21 1i1i n HIS 224 N -3.22 0.21 0.07 1.56 8.25 0.20 -4.51 115.22 117.79 1i1i n HIS 224 Ca 0.00 0.08 -0.12 0.00 -0.26 0.00 0.00 57.72 57.43 1i1i n HIS 224 Cb 0.39 -1.02 -0.05 0.00 1.12 0.00 0.00 29.99 30.43 1i1i n HIS 224 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1i1i h TYR 225 N -0.87 -0.64 -0.36 4.41 3.20 -0.87 -3.03 116.97 118.81 1i1i h TYR 225 Ca -0.63 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.21 1i1i h TYR 225 Cb 1.60 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 40.14 1i1i h TYR 225 CO -0.04 -0.33 0.01 0.74 -1.64 0.00 0.00 178.16 176.90 1i1i h PHE 226 N -0.39 0.69 0.00 -3.82 -1.00 -1.69 -1.05 116.94 109.68 1i1i h PHE 226 Ca 0.05 -0.11 -0.02 0.00 2.81 0.00 0.00 57.97 60.70 1i1i h PHE 226 Cb 0.46 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 39.83 1i1i h PHE 226 CO -0.26 0.72 -0.09 -1.00 -1.61 0.00 0.00 178.31 176.07 1i1i h PRO 227 N 0.45 0.00 0.00 1.51 0.13 -1.78 0.16 132.00 132.47 1i1i h PRO 227 Ca 0.10 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.04 1i1i h PRO 227 Cb 0.44 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 1i1i h PRO 227 CO 0.02 0.09 -0.94 0.28 -0.23 0.00 0.00 178.00 177.22 1i1i h VAL 228 N 0.00 1.66 0.00 1.56 2.07 -1.33 -1.45 116.25 118.76 1i1i h VAL 228 Ca -0.00 -3.18 -0.05 0.00 0.82 0.00 0.00 66.70 64.29 1i1i h VAL 228 Cb 0.24 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1i1i h VAL 228 CO 0.01 0.91 -0.56 0.24 0.02 0.00 0.00 177.57 178.19 1i1i h MET 229 N 0.01 0.00 0.00 1.57 2.86 -0.40 -2.89 114.93 116.07 1i1i h MET 229 Ca -0.01 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.39 1i1i h MET 229 Cb 1.66 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.27 1i1i h MET 229 CO 0.12 0.17 -1.73 1.63 1.06 0.00 0.00 176.91 178.17 1i1i n LYS 230 N -3.00 0.64 0.00 1.72 5.02 0.49 -1.75 118.16 121.27 1i1i n LYS 230 Ca 0.01 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1i1i n LYS 230 Cb 0.63 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1i1i n LYS 230 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1i1i n LYS 231 N -2.88 2.02 -1.67 1.97 5.02 -0.55 -4.44 118.16 117.64 1i1i n LYS 231 Ca -0.16 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.69 1i1i n LYS 231 Cb 0.96 -0.97 -0.04 0.00 -0.02 0.00 0.00 35.03 34.96 1i1i n LYS 231 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i1i s VAL 234 N -2.31 4.78 0.28 0.00 1.01 -1.26 -4.96 120.40 117.94 1i1i s VAL 234 Ca 0.34 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1i1i s VAL 234 Cb 0.21 -4.45 0.32 0.00 0.00 0.00 0.00 36.38 32.46 1i1i s VAL 234 CO 0.43 -1.05 1.63 1.55 0.00 0.00 0.00 175.10 177.66 1i1i h PRO 235 N 9.16 0.13 0.00 2.72 0.13 -1.96 -1.45 132.00 140.74 1i1i h PRO 235 Ca -0.29 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.78 1i1i h PRO 235 Cb 1.09 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1i1i h PRO 235 CO 1.07 0.09 -0.26 1.49 -0.23 0.00 0.00 178.00 180.15 1i1i h GLU 236 N 0.14 0.00 -0.07 0.86 4.81 -1.97 -1.39 114.58 116.96 1i1i h GLU 236 Ca 0.51 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.71 1i1i h GLU 236 Cb 1.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 1i1i h GLU 236 CO -0.71 0.26 -0.07 1.15 -0.73 0.00 0.00 179.01 178.91 1i1i h THR 237 N 0.00 1.37 -1.00 0.32 2.02 -1.56 -1.49 112.91 112.57 1i1i h THR 237 Ca -0.00 -1.23 0.09 0.00 0.77 0.00 0.00 66.41 66.03 1i1i h THR 237 Cb 0.50 2.04 -0.07 0.00 -1.74 0.00 0.00 68.15 68.87 1i1i h THR 237 CO 0.03 0.34 0.64 0.03 0.37 0.00 0.00 175.52 176.94 1i1i h ARG 238 N -0.26 1.07 -0.24 6.66 3.08 -1.30 -1.52 114.38 121.87 1i1i h ARG 238 Ca 0.01 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1i1i h ARG 238 Cb 0.58 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1i1i h ARG 238 CO 0.02 0.71 0.13 -0.09 -1.07 0.00 0.00 179.97 179.66 1i1i h ARG 239 N 1.11 0.34 -0.49 0.04 2.43 -1.06 -1.04 114.38 115.70 1i1i h ARG 239 Ca 0.46 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.46 1i1i h ARG 239 Cb 0.29 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1i1i h ARG 239 CO -0.21 0.32 -0.17 0.87 -1.51 0.00 0.00 179.97 179.28 1i1i h LYS 240 N 0.27 0.97 -0.13 0.20 1.79 -0.82 -1.44 116.57 117.41 1i1i h LYS 240 Ca 0.08 -0.38 -0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1i1i h LYS 240 Cb 0.09 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1i1i h LYS 240 CO -0.01 1.05 0.07 0.52 -1.08 0.00 0.00 179.45 179.99 1i1i h MET 241 N 0.85 0.18 -0.96 3.15 2.86 -1.14 -0.62 114.93 119.24 1i1i h MET 241 Ca 0.12 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1i1i h MET 241 Cb 0.73 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.30 1i1i h MET 241 CO 0.06 0.22 0.61 1.49 1.06 0.00 0.00 176.91 180.35 1i1i h GLU 242 N 0.10 1.29 0.20 1.72 4.22 -1.11 0.28 114.58 121.27 1i1i h GLU 242 Ca 0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 59.36 59.38 1i1i h GLU 242 Cb 0.10 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1i1i h GLU 242 CO -0.01 0.87 -0.10 1.98 -2.18 0.00 0.00 179.01 179.58 1i1i h MET 243 N 1.32 -0.26 -0.72 1.92 4.05 -0.96 -1.59 114.93 118.69 1i1i h MET 243 Ca 0.35 0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.72 1i1i h MET 243 Cb -0.11 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.72 1i1i h MET 243 CO -0.07 -0.00 0.19 0.00 0.23 0.00 0.00 176.91 177.26 1i1i h ALA 244 N 0.25 0.95 -0.43 0.39 0.00 -0.91 -2.87 119.26 116.64 1i1i h ALA 244 Ca -0.03 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1i1i h ALA 244 Cb 0.38 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1i1i h ALA 244 CO 0.05 0.67 -0.03 0.35 0.00 0.00 0.00 179.25 180.29 1i1i h PHE 245 N 1.09 0.75 -0.66 0.00 3.04 -0.42 -2.83 116.94 117.90 1i1i h PHE 245 Ca 0.23 -0.10 -0.20 0.00 3.98 0.00 0.00 57.97 61.88 1i1i h PHE 245 Cb 0.36 -0.21 -0.12 0.00 2.56 0.00 0.00 35.95 38.54 1i1i h PHE 245 CO 0.03 0.72 0.25 0.72 -2.02 0.00 0.00 178.31 178.01 1i1i n HIS 246 N -4.22 2.19 -0.53 0.41 8.25 -0.60 -3.80 115.22 116.92 1i1i n HIS 246 Ca 0.02 -1.09 0.00 0.00 -0.26 0.00 0.00 57.72 56.39 1i1i n HIS 246 Cb 0.30 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 30.77 1i1i n HIS 246 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1i1i n THR 247 N -0.10 0.12 -1.71 1.59 -2.24 -1.08 -0.39 114.28 110.47 1i1i n THR 247 Ca 0.36 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 61.42 1i1i n THR 247 Cb 1.27 1.33 -0.02 0.00 -2.10 0.00 0.00 70.33 70.82 1i1i n THR 247 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1i1i n ARG 248 N -0.06 2.35 -1.19 -0.78 1.74 -1.17 -1.84 116.66 115.70 1i1i n ARG 248 Ca 0.00 0.83 -0.10 0.00 -0.77 0.00 0.00 57.85 57.82 1i1i n ARG 248 Cb 0.20 -2.54 -0.04 0.00 -1.02 0.00 0.00 32.46 29.06 1i1i n ARG 248 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1i1i n LYS 250 N -1.27 -0.28 0.28 0.00 4.81 -0.77 -0.51 118.16 120.42 1i1i n LYS 250 Ca -0.10 1.31 -0.16 0.00 -0.87 0.00 0.00 58.31 58.48 1i1i n LYS 250 Cb 0.40 -1.93 -0.08 0.00 0.02 0.00 0.00 35.03 33.43 1i1i n LYS 250 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1i1i h GLN 251 N 0.00 -0.78 0.03 1.64 4.15 -1.89 0.63 115.11 118.89 1i1i h GLN 251 Ca 0.10 0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.60 1i1i h GLN 251 Cb 0.26 0.18 -0.05 0.00 0.21 0.00 0.00 27.48 28.08 1i1i h GLN 251 CO -0.59 -0.52 -0.34 0.93 -1.93 0.00 0.00 178.83 176.38 1i1i h GLU 252 N -0.81 -0.49 0.00 1.69 5.08 -1.88 -0.47 114.58 117.70 1i1i h GLU 252 Ca -0.05 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1i1i h GLU 252 Cb 0.69 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1i1i h GLU 252 CO 0.01 -0.33 -0.34 -0.91 -1.00 0.00 0.00 179.01 176.44 1i1i h ASN 253 N -0.51 0.00 -0.21 1.42 4.21 -0.81 -1.08 115.58 118.60 1i1i h ASN 253 Ca 0.05 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.45 1i1i h ASN 253 Cb 0.58 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.78 1i1i h ASN 253 CO -0.26 0.34 -0.31 0.74 -1.29 0.00 0.00 177.43 176.65 1i1i h THR 254 N 0.00 1.33 -0.74 2.81 2.02 -0.68 -0.77 112.91 116.88 1i1i h THR 254 Ca -0.00 -1.52 0.01 0.00 0.77 0.00 0.00 66.41 65.67 1i1i h THR 254 Cb 0.94 1.80 -0.04 0.00 -1.74 0.00 0.00 68.15 69.11 1i1i h THR 254 CO 0.04 0.47 0.49 0.00 0.37 0.00 0.00 175.52 176.90 1i1i h ALA 255 N 0.63 1.48 -0.10 6.16 0.00 -0.83 -0.35 119.26 126.25 1i1i h ALA 255 Ca 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1i1i h ALA 255 Cb 0.89 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1i1i h ALA 255 CO 0.07 0.47 -0.10 0.82 0.00 0.00 0.00 179.25 180.51 1i1i h ILE 256 N 0.99 1.36 -0.95 0.00 2.04 -1.00 -3.16 117.51 116.79 1i1i h ILE 256 Ca 0.28 -1.27 0.03 0.00 1.00 0.00 0.00 64.86 64.90 1i1i h ILE 256 Cb -0.09 1.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 1i1i h ILE 256 CO -0.06 0.36 0.62 -0.07 0.00 0.00 0.00 178.15 179.00 1i1i h LEU 257 N -0.17 1.04 -2.70 1.44 3.38 -0.72 0.13 115.31 117.70 1i1i h LEU 257 Ca 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i1i h LEU 257 Cb 0.63 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1i1i h LEU 257 CO 0.03 0.71 -0.01 1.56 0.09 0.00 0.00 178.44 180.82 1i1i h GLN 258 N 1.20 0.00 0.00 1.13 4.20 -1.05 -2.19 115.11 118.41 1i1i h GLN 258 Ca 0.38 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.73 1i1i h GLN 258 Cb 0.00 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 1i1i h GLN 258 CO -0.11 0.01 -2.36 1.04 -0.67 0.00 0.00 178.83 176.73 1i1i n GLN 259 N -3.24 0.64 -0.09 1.46 6.02 -0.64 -4.51 117.38 117.01 1i1i n GLN 259 Ca -0.03 0.12 -0.10 0.00 -0.01 0.00 0.00 57.00 56.99 1i1i n GLN 259 Cb 0.10 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 1i1i n GLN 259 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1i1i h LEU 260 N 0.00 0.39 -0.41 1.08 5.85 -0.49 -2.59 115.31 119.15 1i1i h LEU 260 Ca -0.53 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 57.94 1i1i h LEU 260 Cb 1.87 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 1i1i h LEU 260 CO -0.07 0.45 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.35 1i1i h LEU 261 N 0.31 0.76 -1.27 2.25 3.38 -1.66 -1.26 115.31 117.83 1i1i h LEU 261 Ca 0.10 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 1i1i h LEU 261 Cb 0.18 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1i1i h LEU 261 CO -0.01 0.92 -0.13 -0.65 0.09 0.00 0.00 178.44 178.66 1i1i h PRO 262 N 0.58 0.34 -0.60 1.13 0.11 -1.79 -2.03 132.00 129.74 1i1i h PRO 262 Ca 0.11 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 66.05 1i1i h PRO 262 Cb 0.57 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 1i1i h PRO 262 CO 0.03 0.48 0.06 -0.07 -0.21 0.00 0.00 178.00 178.28 1i1i h LEU 263 N 0.32 0.97 -1.33 2.35 3.38 -1.10 -1.39 115.31 118.51 1i1i h LEU 263 Ca 0.06 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1i1i h LEU 263 Cb 0.43 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1i1i h LEU 263 CO 0.03 0.99 -0.24 0.03 0.09 0.00 0.00 178.44 179.34 1i1i h ARG 264 N 0.94 0.15 -0.05 1.13 3.08 -0.69 -1.83 114.38 117.10 1i1i h ARG 264 Ca 0.18 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 1i1i h ARG 264 Cb 0.47 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1i1i h ARG 264 CO 0.02 0.39 -0.13 0.00 -1.07 0.00 0.00 179.97 179.17 1i1i h ALA 265 N 1.62 0.09 -0.06 0.04 0.00 -0.85 -2.66 119.26 117.44 1i1i h ALA 265 Ca 0.02 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1i1i h ALA 265 Cb 0.50 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1i1i h ALA 265 CO 0.03 -0.01 -0.10 1.96 0.00 0.00 0.00 179.25 181.14 1i1i h GLN 266 N -0.34 -0.13 -0.97 0.00 4.20 -1.10 -1.37 115.11 115.40 1i1i h GLN 266 Ca -0.00 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.80 1i1i h GLN 266 Cb 0.74 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.48 1i1i h GLN 266 CO 0.03 -0.09 0.62 0.28 -0.67 0.00 0.00 178.83 179.00 1i1i h VAL 267 N -0.14 1.03 -0.54 -0.54 2.07 -1.40 -0.47 116.25 116.25 1i1i h VAL 267 Ca 0.06 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1i1i h VAL 267 Cb 0.22 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 1i1i h VAL 267 CO -0.15 0.20 0.14 0.00 0.02 0.00 0.00 177.57 177.78 1i1i h ALA 268 N 1.47 0.71 0.08 1.67 0.00 -1.08 -1.73 119.26 120.39 1i1i h ALA 268 Ca 0.44 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1i1i h ALA 268 Cb 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1i1i h ALA 268 CO -0.20 0.41 -0.04 0.87 0.00 0.00 0.00 179.25 180.29 1i1i h LYS 269 N 0.76 -0.11 -0.10 0.00 1.79 -0.22 0.24 116.57 118.94 1i1i h LYS 269 Ca 0.17 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.68 1i1i h LYS 269 Cb 0.33 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1i1i h LYS 269 CO 0.00 -0.04 0.09 -0.07 -1.08 0.00 0.00 179.45 178.35 1i1i h LEU 270 N -0.14 0.00 -0.00 2.94 3.38 -1.01 0.00 115.31 120.48 1i1i h LEU 270 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1i1i h LEU 270 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1i1i h LEU 270 CO 0.02 0.00 -0.31 0.18 0.09 0.00 0.00 178.44 178.41 1i1i n LEU 271 N -4.16 0.32 0.00 1.67 4.77 -0.66 -4.94 117.00 114.00 1i1i n LEU 271 Ca -0.01 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1i1i n LEU 271 Cb 0.20 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1i1i n LEU 271 CO 0.31 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1i1i n GLY 272 N 1.50 1.03 3.70 -0.72 0.00 -0.01 -4.99 105.19 105.69 1i1i n GLY 272 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1i1i n GLY 272 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i1i s TYR 273 N -2.00 3.05 0.23 1.61 1.51 0.74 -4.98 117.35 117.51 1i1i s TYR 273 Ca 0.00 0.03 -0.04 0.00 -1.01 0.00 0.00 57.07 56.06 1i1i s TYR 273 Cb 0.00 -1.61 0.25 0.00 -0.11 0.00 0.00 41.96 40.49 1i1i s TYR 273 CO 0.00 0.48 1.70 -0.91 -1.11 0.00 0.00 175.55 175.71 1i1i h ASN 274 N 3.82 0.80 -5.39 2.29 2.35 -1.94 -3.09 115.58 114.42 1i1i h ASN 274 Ca -0.48 -0.23 -0.15 0.00 -0.55 0.00 0.00 56.30 54.89 1i1i h ASN 274 Cb 1.17 -0.22 -0.13 0.00 0.05 0.00 0.00 38.32 39.19 1i1i h ASN 274 CO 0.59 0.92 -0.42 0.42 -1.65 0.00 0.00 177.43 177.29 1i1i s THR 275 N -4.86 0.04 0.38 2.81 -4.23 -1.26 -4.80 115.64 103.72 1i1i s THR 275 Ca -0.10 -1.66 0.13 0.00 -1.18 0.00 0.00 61.69 58.88 1i1i s THR 275 Cb 0.14 -2.16 0.10 0.00 1.34 0.00 0.00 72.50 71.92 1i1i s THR 275 CO 0.82 -0.16 1.85 -0.74 -0.54 0.00 0.00 174.62 175.85 1i1i h HIS 276 N 2.55 0.02 -0.19 3.99 2.76 -1.71 -2.69 115.15 119.88 1i1i h HIS 276 Ca -0.32 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.84 1i1i h HIS 276 Cb 1.24 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.18 1i1i h HIS 276 CO 0.39 0.36 0.08 0.00 -1.30 0.00 0.00 177.93 177.46 1i1i h ALA 277 N 1.64 0.25 -0.86 5.26 0.00 -1.58 -1.45 119.26 122.52 1i1i h ALA 277 Ca -0.00 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1i1i h ALA 277 Cb 0.61 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1i1i h ALA 277 CO 0.04 -0.18 0.56 -0.44 0.00 0.00 0.00 179.25 179.24 1i1i h ASP 278 N 0.17 0.84 -0.21 0.00 3.32 -1.77 0.41 116.42 119.18 1i1i h ASP 278 Ca 0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1i1i h ASP 278 Cb 0.15 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1i1i h ASP 278 CO -0.01 0.54 0.11 0.15 -1.72 0.00 0.00 179.24 178.31 1i1i h PHE 279 N 0.96 0.31 0.02 4.55 3.57 -1.15 -2.56 116.94 122.63 1i1i h PHE 279 Ca 0.37 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.85 1i1i h PHE 279 Cb 0.21 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1i1i h PHE 279 CO -0.00 0.30 -0.01 0.28 -2.23 0.00 0.00 178.31 176.65 1i1i h VAL 280 N 0.22 1.36 0.00 1.41 2.07 -0.76 -3.30 116.25 117.26 1i1i h VAL 280 Ca 0.07 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1i1i h VAL 280 Cb 0.11 2.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1i1i h VAL 280 CO -0.01 0.30 -0.03 -0.07 0.02 0.00 0.00 177.57 177.78 1i1i h LEU 281 N -0.53 0.00 -1.57 2.57 4.07 -0.98 -3.08 115.31 115.80 1i1i h LEU 281 Ca -0.00 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.01 1i1i h LEU 281 Cb 0.51 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.22 1i1i h LEU 281 CO 0.00 0.03 0.36 -0.08 -1.08 0.00 0.00 178.44 177.67 1i1i h GLU 282 N 0.00 0.53 -0.30 1.13 4.81 -1.39 -1.48 114.58 117.89 1i1i h GLU 282 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1i1i h GLU 282 Cb 0.13 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1i1i h GLU 282 CO 0.00 0.35 0.00 1.28 -0.73 0.00 0.00 179.01 179.91 1i1i n LEU 283 N -4.47 1.98 -4.87 1.64 4.77 -1.16 -4.77 117.00 110.12 1i1i n LEU 283 Ca 0.07 -0.92 -0.21 0.00 -0.03 0.00 0.00 56.01 54.92 1i1i n LEU 283 Cb 0.20 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1i1i n LEU 283 CO 0.34 0.46 -0.04 0.20 -1.33 0.00 0.00 177.39 177.03 1i1i s ASN 284 N -1.27 5.18 0.38 -1.43 0.02 -0.57 -4.61 114.94 112.64 1i1i s ASN 284 Ca 0.29 -0.61 0.27 0.00 -1.02 0.00 0.00 52.86 51.79 1i1i s ASN 284 Cb 0.16 -0.77 1.00 0.00 0.02 0.00 0.00 41.25 41.66 1i1i s ASN 284 CO 0.22 -0.51 1.80 0.71 0.02 0.00 0.00 177.10 179.35 1i1i h THR 285 N 1.13 0.00 -0.01 1.60 1.35 -1.90 -2.31 112.91 112.78 1i1i h THR 285 Ca -0.43 -0.47 -0.12 0.00 -0.55 0.00 0.00 66.41 64.83 1i1i h THR 285 Cb 1.26 1.37 -0.02 0.00 -1.73 0.00 0.00 68.15 69.04 1i1i h THR 285 CO 0.58 0.00 -0.58 0.00 -0.25 0.00 0.00 175.52 175.26 1i1i h ALA 286 N 2.18 1.02 0.00 6.62 0.00 -1.94 -3.47 119.26 123.67 1i1i h ALA 286 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1i1i h ALA 286 Cb 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1i1i h ALA 286 CO 0.00 0.72 0.00 1.63 0.00 0.00 0.00 179.25 181.60 1i1i n LYS 287 N -3.85 0.00 -4.14 0.00 4.76 -0.87 -4.68 118.16 109.37 1i1i n LYS 287 Ca -0.01 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.33 1i1i n LYS 287 Cb 0.59 -0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.68 1i1i n LYS 287 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1i1i s SER 288 N 0.00 0.25 0.17 4.39 1.04 -1.26 -3.09 113.70 115.21 1i1i s SER 288 Ca 0.00 -1.21 -0.13 0.00 0.48 0.00 0.00 55.95 55.09 1i1i s SER 288 Cb 0.00 0.33 0.08 0.00 0.10 0.00 0.00 66.02 66.52 1i1i s SER 288 CO 0.00 -0.77 1.79 0.74 0.98 0.00 0.00 173.24 175.98 1i1i h THR 289 N 2.79 1.18 -0.66 2.02 2.02 -1.89 -2.11 112.91 116.26 1i1i h THR 289 Ca -0.35 -0.45 -0.05 0.00 0.77 0.00 0.00 66.41 66.33 1i1i h THR 289 Cb 1.21 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1i1i h THR 289 CO 0.57 0.20 0.21 0.77 0.37 0.00 0.00 175.52 177.63 1i1i h SER 290 N 0.78 0.97 -0.62 4.18 4.64 -1.96 -0.63 113.55 120.91 1i1i h SER 290 Ca 0.20 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 1i1i h SER 290 Cb 0.03 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.84 1i1i h SER 290 CO -0.03 0.92 0.22 -0.09 -0.87 0.00 0.00 176.83 176.98 1i1i h ARG 291 N 0.97 0.95 -0.50 4.77 9.65 -1.79 -1.51 114.38 126.92 1i1i h ARG 291 Ca 0.21 -0.19 -0.09 0.00 -1.10 0.00 0.00 59.98 58.81 1i1i h ARG 291 Cb 0.30 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.72 1i1i h ARG 291 CO -0.01 0.83 -0.05 0.28 2.80 0.00 0.00 179.97 183.82 1i1i h VAL 292 N 0.88 1.27 -0.68 0.20 2.07 -1.11 -0.16 116.25 118.73 1i1i h VAL 292 Ca 0.20 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 1i1i h VAL 292 Cb 0.25 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1i1i h VAL 292 CO -0.01 0.41 0.40 0.00 0.02 0.00 0.00 177.57 178.39 1i1i h ALA 293 N 0.92 0.86 -0.23 1.67 0.00 -0.91 -0.11 119.26 121.46 1i1i h ALA 293 Ca 0.14 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1i1i h ALA 293 Cb 0.59 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1i1i h ALA 293 CO 0.04 0.34 -0.42 0.00 0.00 0.00 0.00 179.25 179.21 1i1i h ALA 294 N 1.21 0.84 0.35 0.00 0.00 -1.15 0.28 119.26 120.80 1i1i h ALA 294 Ca 0.24 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1i1i h ALA 294 Cb -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1i1i h ALA 294 CO -0.04 0.65 -0.17 0.35 0.00 0.00 0.00 179.25 180.03 1i1i h PHE 295 N 0.46 -0.44 -0.27 0.00 3.57 -0.39 -1.51 116.94 118.36 1i1i h PHE 295 Ca 0.04 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1i1i h PHE 295 Cb 0.92 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1i1i h PHE 295 CO 0.04 -0.22 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.81 1i1i h LEU 296 N -0.55 0.48 -0.26 0.59 3.38 -0.96 -2.51 115.31 115.48 1i1i h LEU 296 Ca -0.05 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.62 1i1i h LEU 296 Cb 0.41 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1i1i h LEU 296 CO 0.08 0.68 0.14 0.44 0.09 0.00 0.00 178.44 179.87 1i1i h ASP 297 N 0.27 0.21 -0.25 -0.43 3.45 -0.43 -1.80 116.42 117.43 1i1i h ASP 297 Ca 0.08 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.47 1i1i h ASP 297 Cb 0.44 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.16 1i1i h ASP 297 CO 0.02 0.16 -0.07 0.44 -1.57 0.00 0.00 179.24 178.21 1i1i h ASP 298 N 0.29 0.61 -0.26 6.45 3.45 -1.32 -2.57 116.42 123.06 1i1i h ASP 298 Ca 0.10 -0.15 -0.04 0.00 0.43 0.00 0.00 57.03 57.37 1i1i h ASP 298 Cb 0.02 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.62 1i1i h ASP 298 CO -0.06 0.73 0.01 0.25 -1.57 0.00 0.00 179.24 178.60 1i1i h LEU 299 N 0.58 0.44 -1.56 1.55 5.85 -1.12 -1.22 115.31 119.83 1i1i h LEU 299 Ca 0.11 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 1i1i h LEU 299 Cb 0.48 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1i1i h LEU 299 CO 0.03 0.63 -0.23 0.77 -0.34 0.00 0.00 178.44 179.29 1i1i h SER 300 N 0.25 0.00 -0.08 1.25 4.64 -1.23 0.08 113.55 118.45 1i1i h SER 300 Ca 0.08 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.34 1i1i h SER 300 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1i1i h SER 300 CO 0.01 0.23 -0.17 -0.61 -0.87 0.00 0.00 176.83 175.42 1i1i h GLN 301 N 0.00 0.26 0.00 4.77 5.75 -1.19 0.18 115.11 124.88 1i1i h GLN 301 Ca -0.00 -0.17 -0.03 0.00 -0.15 0.00 0.00 58.65 58.30 1i1i h GLN 301 Cb 0.43 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.00 1i1i h GLN 301 CO 0.03 0.76 -0.13 0.87 -2.65 0.00 0.00 178.83 177.71 1i1i h LYS 302 N -0.22 0.00 0.00 1.69 6.56 -0.86 -2.57 116.57 121.17 1i1i h LYS 302 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1i1i h LYS 302 Cb 0.76 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.42 1i1i h LYS 302 CO 0.04 0.13 -1.25 -0.11 -2.06 0.00 0.00 179.45 176.19 1i1i n LEU 303 N -3.69 0.53 -0.15 2.94 7.94 -0.02 -4.53 117.00 120.02 1i1i n LEU 303 Ca -0.02 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.80 1i1i n LEU 303 Cb 0.24 -0.06 -0.04 0.00 0.53 0.00 0.00 43.42 44.10 1i1i n LEU 303 CO 0.31 0.01 0.58 0.50 -1.11 0.00 0.00 177.39 177.68 1i1i h LYS 304 N 0.00 -0.28 -0.75 1.96 3.64 -0.19 -1.47 116.57 119.48 1i1i h LYS 304 Ca 0.00 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.50 1i1i h LYS 304 Cb 0.82 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.65 1i1i h LYS 304 CO 0.00 -0.18 0.49 -1.00 -2.27 0.00 0.00 179.45 176.49 1i1i h PRO 305 N -0.29 0.59 -0.07 1.90 0.13 -1.80 -0.33 132.00 132.14 1i1i h PRO 305 Ca 0.16 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 65.13 1i1i h PRO 305 Cb 0.57 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 1i1i h PRO 305 CO -0.61 0.39 -0.50 1.25 -0.23 0.00 0.00 178.00 178.31 1i1i h LEU 306 N 0.61 0.19 -0.59 1.56 5.85 -1.60 -2.44 115.31 118.89 1i1i h LEU 306 Ca 0.35 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.88 1i1i h LEU 306 Cb 0.54 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1i1i h LEU 306 CO -0.13 0.66 -0.47 1.23 -0.34 0.00 0.00 178.44 179.40 1i1i h GLY 307 N 1.39 0.00 1.38 3.75 0.00 -0.17 -2.49 103.07 106.93 1i1i h GLY 307 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 1i1i h GLY 307 CO 0.07 0.00 -0.91 0.83 0.00 0.00 0.00 176.54 176.54 1i1i h GLU 308 N 0.00 0.57 -0.02 4.80 5.08 -0.97 -1.96 114.58 122.09 1i1i h GLU 308 Ca -0.00 -0.56 -0.00 0.00 -1.00 0.00 0.00 59.36 57.79 1i1i h GLU 308 Cb 1.11 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1i1i h GLU 308 CO 0.06 1.18 -0.01 0.00 -1.00 0.00 0.00 179.01 179.24 1i1i h ALA 309 N 0.64 0.02 -0.43 3.43 0.00 -1.40 -0.83 119.26 120.69 1i1i h ALA 309 Ca -0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1i1i h ALA 309 Cb 1.54 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1i1i h ALA 309 CO 0.17 -0.26 0.25 0.93 0.00 0.00 0.00 179.25 180.34 1i1i h GLU 310 N -0.38 0.60 -0.88 0.00 5.08 -1.53 0.34 114.58 117.81 1i1i h GLU 310 Ca 0.00 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1i1i h GLU 310 Cb 0.43 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1i1i h GLU 310 CO 0.00 0.46 0.58 -0.09 -1.00 0.00 0.00 179.01 178.96 1i1i h ARG 311 N 0.57 1.16 -0.10 2.33 2.43 -1.37 0.21 114.38 119.61 1i1i h ARG 311 Ca 0.15 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1i1i h ARG 311 Cb 0.03 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.32 1i1i h ARG 311 CO -0.03 0.77 -0.02 1.49 -1.51 0.00 0.00 179.97 180.67 1i1i h GLU 312 N 1.19 0.20 -0.84 0.20 4.81 -0.49 -1.17 114.58 118.49 1i1i h GLU 312 Ca 0.32 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.52 1i1i h GLU 312 Cb -0.13 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.18 1i1i h GLU 312 CO -0.07 0.51 0.53 0.35 -0.73 0.00 0.00 179.01 179.60 1i1i h PHE 313 N -0.12 0.99 -0.32 0.92 3.04 0.37 -1.04 116.94 120.77 1i1i h PHE 313 Ca 0.03 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.91 1i1i h PHE 313 Cb 0.43 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.60 1i1i h PHE 313 CO 0.05 0.54 -0.17 0.82 -2.02 0.00 0.00 178.31 177.53 1i1i h ILE 314 N 1.01 1.25 -0.59 1.41 2.04 -0.51 -2.49 117.51 119.63 1i1i h ILE 314 Ca 0.34 -1.17 -0.07 0.00 1.00 0.00 0.00 64.86 64.96 1i1i h ILE 314 Cb 0.06 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1i1i h ILE 314 CO -0.13 0.38 0.07 0.25 0.00 0.00 0.00 178.15 178.72 1i1i h LEU 315 N 0.52 0.92 -1.15 1.44 5.85 0.02 -0.95 115.31 121.97 1i1i h LEU 315 Ca 0.09 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 1i1i h LEU 315 Cb 0.60 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1i1i h LEU 315 CO 0.04 0.94 -0.33 0.77 -0.34 0.00 0.00 178.44 179.52 1i1i h SER 316 N 0.90 0.00 0.16 1.25 4.64 -1.02 -1.40 113.55 118.08 1i1i h SER 316 Ca 0.18 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.24 1i1i h SER 316 Cb 0.43 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1i1i h SER 316 CO 0.01 0.33 -1.07 -0.07 -0.87 0.00 0.00 176.83 175.16 1i1i h LEU 317 N 0.00 0.77 0.26 5.97 3.38 -0.95 -2.83 115.31 121.91 1i1i h LEU 317 Ca -0.00 -0.64 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 1i1i h LEU 317 Cb 0.77 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1i1i h LEU 317 CO 0.04 1.45 -0.12 0.50 0.09 0.00 0.00 178.44 180.40 1i1i h LYS 318 N 0.31 -0.33 -0.65 1.13 3.64 -0.99 -1.57 116.57 118.10 1i1i h LYS 318 Ca -0.13 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.41 1i1i h LYS 318 Cb 1.72 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 33.52 1i1i h LYS 318 CO 0.20 0.03 0.11 -0.22 -2.27 0.00 0.00 179.45 177.30 1i1i h LYS 319 N -0.88 0.22 0.09 1.90 3.64 -1.40 0.74 116.57 120.89 1i1i h LYS 319 Ca -0.04 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1i1i h LYS 319 Cb 0.51 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1i1i h LYS 319 CO 0.06 0.15 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.12 1i1i h LYS 320 N 0.23 -0.12 -0.31 1.90 3.64 -1.53 -2.92 116.57 117.47 1i1i h LYS 320 Ca 0.35 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.70 1i1i h LYS 320 Cb 0.56 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1i1i h LYS 320 CO -0.47 -0.05 0.02 1.49 -2.27 0.00 0.00 179.45 178.17 1i1i h GLU 321 N -0.15 0.46 0.00 1.90 4.81 -0.54 -1.97 114.58 119.09 1i1i h GLU 321 Ca -0.01 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1i1i h GLU 321 Cb 0.12 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1i1i h GLU 321 CO 0.02 0.47 -0.01 0.00 -0.73 0.00 0.00 179.01 178.76 1i1i n GLU 323 N -3.13 0.65 0.00 0.00 1.02 -0.79 -0.81 120.64 117.59 1i1i n GLU 323 Ca -0.01 0.30 0.15 0.00 -0.02 0.00 0.00 57.16 57.58 1i1i n GLU 323 Cb 0.23 -1.78 0.88 0.00 -0.02 0.00 0.00 31.44 30.75 1i1i n GLU 323 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1i1i n GLU 324 N -3.12 0.88 0.00 3.49 1.02 -0.93 -3.41 120.64 118.57 1i1i n GLU 324 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 1i1i n GLU 324 Cb 1.05 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 1i1i n GLU 324 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1i1i n ARG 325 N -1.04 0.00 -3.86 3.49 1.74 -1.01 -5.05 116.66 110.93 1i1i n ARG 325 Ca 0.22 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 57.04 1i1i n ARG 325 Cb 0.12 -0.36 0.01 0.00 -1.02 0.00 0.00 32.46 31.21 1i1i n ARG 325 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i1i n GLY 326 N 0.00 -0.32 0.08 -0.13 0.00 0.01 -4.89 105.19 99.94 1i1i n GLY 326 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1i1i n GLY 326 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1i1i h PHE 327 N -1.88 0.11 0.00 1.61 -1.00 -1.65 -3.50 116.94 110.63 1i1i h PHE 327 Ca -0.61 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 60.09 1i1i h PHE 327 Cb 1.37 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.92 1i1i h PHE 327 CO 0.51 1.09 0.00 -1.91 -1.61 0.00 0.00 178.31 176.38 1i1i n GLU 328 N -3.28 0.00 -5.10 1.51 2.13 -1.25 -5.10 120.64 109.55 1i1i n GLU 328 Ca -0.09 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.41 1i1i n GLU 328 Cb 1.00 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 32.55 1i1i n GLU 328 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1i1i s TYR 329 N -1.71 2.55 -0.93 4.31 5.04 -1.26 -4.90 117.35 120.45 1i1i s TYR 329 Ca 0.00 -0.55 0.10 0.00 -2.44 0.00 0.00 57.07 54.18 1i1i s TYR 329 Cb 0.00 -1.64 0.29 0.00 0.35 0.00 0.00 41.96 40.96 1i1i s TYR 329 CO 0.00 -0.11 1.23 -0.40 -1.34 0.00 0.00 175.55 174.93 1i1i n ASP 330 N 2.85 2.85 -0.76 4.32 3.85 -1.26 -4.99 116.55 123.41 1i1i n ASP 330 Ca -0.17 -1.97 -0.10 0.00 -0.71 0.00 0.00 54.79 51.84 1i1i n ASP 330 Cb 0.52 -0.21 -0.04 0.00 -1.35 0.00 0.00 41.12 40.03 1i1i n ASP 330 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1i1i n GLY 331 N 0.50 0.98 3.14 6.12 0.00 -1.26 -4.96 105.19 109.70 1i1i n GLY 331 Ca 0.11 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 1i1i n GLY 331 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i1i s LYS 332 N -2.77 0.71 -0.54 1.61 -2.85 -1.26 -5.11 119.74 109.53 1i1i s LYS 332 Ca 0.00 -1.14 -0.17 0.00 -1.00 0.00 0.00 55.97 53.65 1i1i s LYS 332 Cb 0.00 0.26 0.10 0.00 -2.06 0.00 0.00 37.83 36.13 1i1i s LYS 332 CO 0.00 -0.18 0.58 0.42 0.10 0.00 0.00 175.35 176.27 1i1i s ILE 333 N -3.91 5.02 0.75 3.79 1.01 -1.26 -5.06 121.20 121.55 1i1i s ILE 333 Ca 0.07 -1.11 -0.12 0.00 0.00 0.00 0.00 60.65 59.50 1i1i s ILE 333 Cb 0.07 -4.36 0.04 0.00 0.01 0.00 0.00 42.46 38.22 1i1i s ILE 333 CO -0.10 -0.91 1.13 0.20 0.00 0.00 0.00 174.94 175.26 1i1i s ASN 334 N 3.34 5.00 0.22 3.58 0.01 -1.26 -4.35 114.94 121.48 1i1i s ASN 334 Ca 0.08 0.98 -0.08 0.00 -0.71 0.00 0.00 52.86 53.13 1i1i s ASN 334 Cb -0.25 -1.64 0.26 0.00 0.41 0.00 0.00 41.25 40.03 1i1i s ASN 334 CO 0.06 -1.61 1.84 0.00 -1.51 0.00 0.00 177.10 175.88 1i1i h ALA 335 N -0.84 1.02 0.00 0.60 0.00 -1.91 -1.58 119.26 116.55 1i1i h ALA 335 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1i1i h ALA 335 Cb 1.29 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1i1i h ALA 335 CO 0.65 0.22 0.00 -2.67 0.00 0.00 0.00 179.25 177.44 1i1i n TRP 336 N -4.66 0.00 -0.00 0.00 2.14 -1.26 -3.00 117.44 110.65 1i1i n TRP 336 Ca 0.10 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.67 1i1i n TRP 336 Cb 0.14 -0.03 -0.00 0.00 -0.81 0.00 0.00 31.31 30.60 1i1i n TRP 336 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1i1i n ASP 337 N -0.25 4.95 0.22 -0.67 10.43 -0.60 -4.64 116.55 125.98 1i1i n ASP 337 Ca 0.00 0.00 -0.16 0.00 2.57 0.00 0.00 54.79 57.20 1i1i n ASP 337 Cb 0.09 0.91 -0.08 0.00 1.84 0.00 0.00 41.12 43.88 1i1i n ASP 337 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 1i1i h LEU 338 N 0.00 -1.00 -0.27 0.64 5.85 -1.44 -1.47 115.31 117.62 1i1i h LEU 338 Ca -0.00 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1i1i h LEU 338 Cb 0.20 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1i1i h LEU 338 CO 0.00 -0.50 0.14 0.45 -0.34 0.00 0.00 178.44 178.19 1i1i h HIS 339 N -0.74 0.26 0.11 1.25 3.86 -1.79 -1.00 115.15 117.10 1i1i h HIS 339 Ca -0.02 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1i1i h HIS 339 Cb 0.68 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 29.03 1i1i h HIS 339 CO -0.22 0.15 -0.44 -0.92 0.86 0.00 0.00 177.93 177.36 1i1i h TYR 340 N 0.30 -1.29 0.00 2.45 3.20 -1.19 -0.81 116.97 119.63 1i1i h TYR 340 Ca 0.11 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 1i1i h TYR 340 Cb 0.02 0.55 -0.00 0.00 1.54 0.00 0.00 36.73 38.83 1i1i h TYR 340 CO -0.09 -0.50 -0.13 1.88 -1.64 0.00 0.00 178.16 177.68 1i1i h TYR 341 N -0.64 0.00 -0.05 -3.82 0.05 -1.22 -1.17 116.97 110.12 1i1i h TYR 341 Ca -0.01 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.64 1i1i h TYR 341 Cb 0.64 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.37 1i1i h TYR 341 CO -0.42 0.13 -0.57 0.52 -1.05 0.00 0.00 178.16 176.76 1i1i h MET 342 N 0.00 0.15 -0.17 4.88 2.86 -0.73 -0.84 114.93 121.08 1i1i h MET 342 Ca -0.00 -0.10 -0.17 0.00 -2.06 0.00 0.00 59.70 57.37 1i1i h MET 342 Cb 0.45 0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.13 1i1i h MET 342 CO 0.02 0.68 -0.56 1.15 1.06 0.00 0.00 176.91 179.26 1i1i h THR 343 N 0.12 1.32 -0.97 2.22 2.02 -0.00 -2.58 112.91 115.03 1i1i h THR 343 Ca -0.00 -1.80 0.05 0.00 0.77 0.00 0.00 66.41 65.43 1i1i h THR 343 Cb 1.04 1.96 -0.06 0.00 -1.74 0.00 0.00 68.15 69.35 1i1i h THR 343 CO 0.08 0.56 0.63 1.56 0.37 0.00 0.00 175.52 178.72 1i1i h GLN 344 N 0.37 1.15 -0.41 6.66 1.08 -1.14 -1.65 115.11 121.17 1i1i h GLN 344 Ca -0.02 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1i1i h GLN 344 Cb 1.18 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 28.32 1i1i h GLN 344 CO 0.12 0.76 0.21 1.15 -0.95 0.00 0.00 178.83 180.12 1i1i h THR 345 N 1.19 0.99 -0.72 -0.54 2.02 -0.96 -1.93 112.91 112.95 1i1i h THR 345 Ca 0.40 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.44 1i1i h THR 345 Cb 0.07 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 1i1i h THR 345 CO -0.14 0.08 0.47 -0.33 0.37 0.00 0.00 175.52 175.96 1i1i h GLU 346 N 0.43 0.95 0.00 6.66 5.08 -0.93 0.09 114.58 126.87 1i1i h GLU 346 Ca 0.17 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1i1i h GLU 346 Cb 0.07 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1i1i h GLU 346 CO -0.11 0.64 0.00 0.93 -1.00 0.00 0.00 179.01 179.47 1i1i h GLU 347 N 0.98 0.00 0.00 2.33 5.08 -0.76 -2.88 114.58 119.33 1i1i h GLU 347 Ca 0.26 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.24 1i1i h GLU 347 Cb -0.10 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.08 1i1i h GLU 347 CO -0.06 0.00 -2.44 1.28 -1.00 0.00 0.00 179.01 176.80 1i1i n LEU 348 N -2.83 2.42 0.02 1.33 4.32 -0.79 -4.16 117.00 117.32 1i1i n LEU 348 Ca 0.02 -0.11 -0.11 0.00 -0.02 0.00 0.00 56.01 55.79 1i1i n LEU 348 Cb 0.36 -0.63 -0.09 0.00 -1.62 0.00 0.00 43.42 41.44 1i1i n LEU 348 CO 0.28 0.85 0.44 0.11 -1.22 0.00 0.00 177.39 177.85 1i1i h LYS 349 N 0.00 -0.13 -2.57 3.23 1.79 -1.10 -3.42 116.57 114.37 1i1i h LYS 349 Ca -0.56 0.01 -0.54 0.00 -2.18 0.00 0.00 60.65 57.37 1i1i h LYS 349 Cb 1.95 0.03 -0.38 0.00 -1.58 0.00 0.00 32.23 32.25 1i1i h LYS 349 CO -0.07 0.38 -0.81 0.71 -1.08 0.00 0.00 179.45 178.58 1i1i s TYR 350 N -3.40 0.49 -0.95 -1.35 1.51 -1.09 -5.06 117.35 107.50 1i1i s TYR 350 Ca -0.14 -1.32 -0.25 0.00 -1.01 0.00 0.00 57.07 54.36 1i1i s TYR 350 Cb 0.00 -0.85 -0.08 0.00 -0.11 0.00 0.00 41.96 40.93 1i1i s TYR 350 CO 0.54 -0.84 2.02 0.45 -1.11 0.00 0.00 175.55 176.61 1i1i s SER 351 N 1.40 4.85 -0.46 2.29 0.15 -1.25 -4.60 113.70 116.08 1i1i s SER 351 Ca 0.15 -0.77 -0.14 0.00 0.70 0.00 0.00 55.95 55.89 1i1i s SER 351 Cb -0.20 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.61 1i1i s SER 351 CO -0.10 -3.08 0.37 -0.69 1.20 0.00 0.00 173.24 170.94 1i1i s VAL 352 N 11.31 5.02 -0.78 4.45 1.01 -1.26 -5.02 120.40 135.12 1i1i s VAL 352 Ca 0.74 -1.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.33 1i1i s VAL 352 Cb -0.06 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1i1i s VAL 352 CO 0.04 -0.56 1.53 -0.62 0.00 0.00 0.00 175.10 175.49 1i1i s ASP 353 N 2.49 5.90 0.23 3.32 2.15 -1.26 -4.87 116.67 124.63 1i1i s ASP 353 Ca 0.04 -0.49 -0.08 0.00 0.43 0.00 0.00 52.55 52.46 1i1i s ASP 353 Cb -0.24 -2.55 0.25 0.00 -0.30 0.00 0.00 42.92 40.07 1i1i s ASP 353 CO 0.06 -2.00 1.87 1.56 -0.17 0.00 0.00 175.17 176.49 1i1i h GLN 354 N 11.31 0.99 0.00 4.34 1.08 -1.99 -0.29 115.11 130.56 1i1i h GLN 354 Ca -0.14 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 1i1i h GLN 354 Cb 1.06 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1i1i h GLN 354 CO 1.29 0.66 0.00 0.93 -0.95 0.00 0.00 178.83 180.76 1i1i h GLU 355 N 1.02 0.00 0.02 1.46 4.39 -2.00 -1.42 114.58 118.06 1i1i h GLU 355 Ca 0.33 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.73 1i1i h GLU 355 Cb 0.01 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 1i1i h GLU 355 CO -0.12 0.00 -1.62 0.45 -1.16 0.00 0.00 179.01 176.57 1i1i n SER 356 N -2.64 1.93 -0.20 1.42 2.88 -0.61 -4.35 113.62 112.05 1i1i n SER 356 Ca -0.01 0.35 -0.01 0.00 -1.33 0.00 0.00 58.87 57.88 1i1i n SER 356 Cb 0.15 -0.91 0.10 0.00 -0.75 0.00 0.00 64.21 62.80 1i1i n SER 356 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1i1i h LEU 357 N -0.76 0.32 -1.84 2.46 5.85 -0.77 -2.15 115.31 118.41 1i1i h LEU 357 Ca -0.42 0.06 0.29 0.00 0.84 0.00 0.00 57.88 58.65 1i1i h LEU 357 Cb 1.51 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.50 1i1i h LEU 357 CO -0.18 0.19 0.73 0.07 -0.34 0.00 0.00 178.44 178.92 1i1i h LYS 358 N 0.48 0.10 -0.01 1.25 2.10 -1.44 0.22 116.57 119.26 1i1i h LYS 358 Ca 0.30 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 1i1i h LYS 358 Cb 0.32 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.62 1i1i h LYS 358 CO -0.26 0.07 0.03 0.93 -2.00 0.00 0.00 179.45 178.21 1i1i h GLU 359 N 0.10 0.00 -0.01 0.07 5.08 -1.59 0.18 114.58 118.42 1i1i h GLU 359 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 1i1i h GLU 359 Cb 1.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.11 1i1i h GLU 359 CO -0.07 0.00 -0.06 0.66 -1.00 0.00 0.00 179.01 178.54 1i1i n TYR 360 N -3.41 0.00 -3.16 4.33 4.02 0.76 -1.74 117.16 117.96 1i1i n TYR 360 Ca -0.03 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.59 1i1i n TYR 360 Cb 0.10 -0.05 -0.06 0.00 -0.02 0.00 0.00 39.34 39.32 1i1i n TYR 360 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1i1i n PHE 361 N -0.38 3.86 -1.94 -0.72 0.99 0.65 -0.92 117.46 119.00 1i1i n PHE 361 Ca 0.18 -4.05 -0.41 0.00 -0.00 0.00 0.00 57.45 53.17 1i1i n PHE 361 Cb 0.29 -0.53 -0.02 0.00 -1.00 0.00 0.00 39.48 38.22 1i1i n PHE 361 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 1i1i s PRO 362 N -3.02 4.22 0.40 -1.08 0.02 -1.26 -1.90 135.00 132.39 1i1i s PRO 362 Ca 0.45 2.39 0.15 0.00 0.02 0.00 0.00 61.00 64.01 1i1i s PRO 362 Cb 0.22 -3.06 1.02 0.00 0.02 0.00 0.00 34.50 32.70 1i1i s PRO 362 CO -0.08 -0.44 1.86 0.97 -0.33 0.00 0.00 177.00 178.98 1i1i h ILE 363 N 3.32 0.72 -0.20 2.83 2.10 -1.43 0.42 117.51 125.26 1i1i h ILE 363 Ca -0.48 -0.16 0.02 0.00 1.08 0.00 0.00 64.86 65.32 1i1i h ILE 363 Cb 1.22 0.20 -0.02 0.00 -1.09 0.00 0.00 36.82 37.13 1i1i h ILE 363 CO 0.74 0.09 0.08 -0.33 -1.08 0.00 0.00 178.15 177.64 1i1i h GLU 364 N 0.47 0.17 -0.39 2.19 5.08 -1.88 0.53 114.58 120.75 1i1i h GLU 364 Ca 0.46 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.70 1i1i h GLU 364 Cb 1.05 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1i1i h GLU 364 CO -0.19 0.11 -0.22 0.28 -1.00 0.00 0.00 179.01 178.00 1i1i h VAL 365 N 0.18 1.27 -0.21 3.13 2.07 -1.34 -1.84 116.25 119.50 1i1i h VAL 365 Ca 0.09 -1.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 1i1i h VAL 365 Cb 0.05 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1i1i h VAL 365 CO -0.08 0.44 -0.08 0.58 0.02 0.00 0.00 177.57 178.45 1i1i h VAL 366 N 0.67 1.30 0.12 2.57 2.07 -0.76 -1.07 116.25 121.15 1i1i h VAL 366 Ca 0.09 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1i1i h VAL 366 Cb 0.72 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1i1i h VAL 366 CO 0.06 0.34 -0.10 0.74 0.02 0.00 0.00 177.57 178.62 1i1i h THR 367 N 0.13 0.77 -0.55 2.57 2.02 -0.86 0.30 112.91 117.30 1i1i h THR 367 Ca 0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1i1i h THR 367 Cb 0.55 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1i1i h THR 367 CO 0.03 0.00 0.35 -0.08 0.37 0.00 0.00 175.52 176.18 1i1i h GLU 368 N -0.24 0.68 0.09 6.66 4.22 -1.34 -1.76 114.58 122.89 1i1i h GLU 368 Ca -0.00 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.39 1i1i h GLU 368 Cb 0.22 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1i1i h GLU 368 CO -0.02 0.45 -0.04 0.78 -2.18 0.00 0.00 179.01 178.00 1i1i h GLY 369 N 0.70 -0.12 0.14 1.92 0.00 -0.87 -0.92 103.07 103.92 1i1i h GLY 369 Ca 0.21 0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.65 1i1i h GLY 369 CO -0.07 -0.04 -0.21 -2.00 0.00 0.00 0.00 176.54 174.22 1i1i h LEU 370 N -0.22 -0.68 -0.88 3.11 5.85 -0.21 -0.57 115.31 121.71 1i1i h LEU 370 Ca -0.01 0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 1i1i h LEU 370 Cb 0.19 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1i1i h LEU 370 CO 0.02 -0.24 0.20 -0.07 -0.34 0.00 0.00 178.44 178.00 1i1i h LEU 371 N -0.18 0.96 -0.27 2.25 3.38 -1.27 -2.33 115.31 117.85 1i1i h LEU 371 Ca 0.16 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1i1i h LEU 371 Cb 0.42 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1i1i h LEU 371 CO -0.40 0.90 0.11 -1.28 0.09 0.00 0.00 178.44 177.85 1i1i h SER 372 N 0.99 0.37 -0.08 -0.43 0.87 -0.45 -0.79 113.55 114.02 1i1i h SER 372 Ca 0.22 -0.17 0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1i1i h SER 372 Cb 0.30 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 1i1i h SER 372 CO -0.01 0.44 -0.11 0.40 -0.53 0.00 0.00 176.83 177.03 1i1i h ILE 373 N 0.28 0.71 -0.38 2.23 2.04 -0.98 -2.28 117.51 119.13 1i1i h ILE 373 Ca 0.09 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 1i1i h ILE 373 Cb 0.19 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1i1i h ILE 373 CO -0.01 0.00 -0.02 1.88 0.00 0.00 0.00 178.15 180.00 1i1i h TYR 374 N -0.14 0.65 -0.09 1.37 -1.99 -1.28 -0.60 116.97 114.88 1i1i h TYR 374 Ca 0.07 -0.08 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 1i1i h TYR 374 Cb 0.24 -0.18 -0.00 0.00 2.00 0.00 0.00 36.73 38.78 1i1i h TYR 374 CO -0.21 0.64 0.05 1.96 -0.00 0.00 0.00 178.16 180.60 1i1i h GLN 375 N 0.58 0.13 -0.37 4.88 4.20 -0.91 -1.10 115.11 122.52 1i1i h GLN 375 Ca 0.12 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 1i1i h GLN 375 Cb 0.41 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1i1i h GLN 375 CO 0.02 0.19 -0.00 1.49 -0.67 0.00 0.00 178.83 179.85 1i1i h GLU 376 N 0.04 0.66 -0.52 1.46 4.81 -1.21 -0.83 114.58 118.99 1i1i h GLU 376 Ca 0.03 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 58.98 1i1i h GLU 376 Cb 0.10 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1i1i h GLU 376 CO -0.00 0.76 0.05 1.25 -0.73 0.00 0.00 179.01 180.34 1i1i h LEU 377 N 0.48 0.86 -2.52 1.64 5.85 -1.07 -3.27 115.31 117.28 1i1i h LEU 377 Ca 0.11 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1i1i h LEU 377 Cb 0.47 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1i1i h LEU 377 CO 0.02 0.92 0.00 0.18 -0.34 0.00 0.00 178.44 179.22 1i1i n LEU 378 N -4.35 3.70 -3.39 2.25 4.77 -0.42 -3.75 117.00 115.80 1i1i n LEU 378 Ca 0.01 -1.72 -0.19 0.00 -0.03 0.00 0.00 56.01 54.09 1i1i n LEU 378 Cb 0.29 -0.36 0.08 0.00 -2.33 0.00 0.00 43.42 41.11 1i1i n LEU 378 CO 0.42 0.86 0.15 0.61 -1.33 0.00 0.00 177.39 178.09 1i1i n GLY 379 N 1.57 -0.38 3.42 -0.72 0.00 -0.65 -4.84 105.19 103.59 1i1i n GLY 379 Ca 0.22 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 46.15 1i1i n GLY 379 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i1i s LEU 380 N -6.49 2.50 -0.08 0.99 1.43 -0.41 -1.45 118.68 115.16 1i1i s LEU 380 Ca 0.18 -1.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.12 1i1i s LEU 380 Cb -0.08 -0.66 0.02 0.00 0.03 0.00 0.00 46.19 45.50 1i1i s LEU 380 CO 0.71 -0.31 -0.11 -0.55 0.23 0.00 0.00 176.35 176.31 1i1i s SER 381 N -3.44 1.85 -0.19 2.29 0.15 0.70 -4.52 113.70 110.55 1i1i s SER 381 Ca 0.29 -0.30 -0.05 0.00 0.70 0.00 0.00 55.95 56.59 1i1i s SER 381 Cb 0.03 -0.82 -0.03 0.00 -1.71 0.00 0.00 66.02 63.49 1i1i s SER 381 CO 0.12 -0.01 0.00 -0.36 1.20 0.00 0.00 173.24 174.19 1i1i s PHE 382 N 0.93 3.06 -0.08 3.44 0.08 -1.26 -1.23 117.98 122.91 1i1i s PHE 382 Ca -0.10 -0.36 -0.00 0.00 0.12 0.00 0.00 56.93 56.59 1i1i s PHE 382 Cb -0.15 -2.06 0.02 0.00 -0.57 0.00 0.00 43.02 40.26 1i1i s PHE 382 CO 0.01 -0.16 -0.06 -2.00 -0.10 0.00 0.00 175.22 172.91 1i1i s GLU 383 N 0.81 1.18 0.26 0.44 2.12 -0.49 -4.95 118.70 118.08 1i1i s GLU 383 Ca 0.01 -0.15 -0.30 0.00 0.36 0.00 0.00 54.97 54.89 1i1i s GLU 383 Cb -0.14 -1.27 -0.10 0.00 0.26 0.00 0.00 34.13 32.88 1i1i s GLU 383 CO 0.02 -0.21 1.33 -1.14 -0.54 0.00 0.00 175.26 174.72 1i1i s GLN 384 N 1.51 4.36 -0.34 4.30 0.74 -1.26 -0.12 119.66 128.84 1i1i s GLN 384 Ca -0.00 2.16 -0.26 0.00 0.05 0.00 0.00 55.36 57.31 1i1i s GLN 384 Cb -0.13 -3.13 0.01 0.00 1.10 0.00 0.00 33.01 30.86 1i1i s GLN 384 CO -0.04 -0.25 0.92 0.08 -0.55 0.00 0.00 175.29 175.45 1i1i s VAL 385 N -0.41 4.63 0.00 1.34 1.01 0.16 -4.89 120.40 122.24 1i1i s VAL 385 Ca 0.54 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.80 1i1i s VAL 385 Cb -0.39 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.69 1i1i s VAL 385 CO 0.45 -0.45 0.58 -2.65 0.00 0.00 0.00 175.10 173.03 1i1i n PRO 386 N 6.64 0.00 -2.99 2.72 -0.02 -1.26 -3.73 135.00 136.36 1i1i n PRO 386 Ca 0.07 0.48 -0.37 0.00 -2.02 0.00 0.00 63.50 61.66 1i1i n PRO 386 Cb 0.48 -1.08 -0.01 0.00 -0.02 0.00 0.00 33.50 32.86 1i1i n PRO 386 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1i1i n ASP 387 N -1.21 5.85 -4.76 2.55 9.92 -1.26 -5.04 116.55 122.59 1i1i n ASP 387 Ca 0.00 -3.53 -0.39 0.00 -0.53 0.00 0.00 54.79 50.34 1i1i n ASP 387 Cb 0.00 -1.02 -0.05 0.00 -0.64 0.00 0.00 41.12 39.42 1i1i n ASP 387 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i1i s ALA 388 N -3.23 3.31 -0.20 2.24 0.00 -1.24 -5.01 121.76 117.63 1i1i s ALA 388 Ca 0.37 0.78 -0.29 0.00 0.00 0.00 0.00 51.96 52.83 1i1i s ALA 388 Cb 0.14 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.97 1i1i s ALA 388 CO -0.01 -0.09 1.14 -1.58 0.00 0.00 0.00 175.76 175.22 1i1i s HIS 389 N -1.30 3.11 0.35 0.00 2.46 -1.26 -5.00 115.29 113.64 1i1i s HIS 389 Ca 0.47 1.25 0.04 0.00 0.47 0.00 0.00 55.06 57.29 1i1i s HIS 389 Cb -0.28 -3.38 -0.03 0.00 -0.13 0.00 0.00 32.58 28.76 1i1i s HIS 389 CO 0.35 -1.05 0.16 0.14 -2.47 0.00 0.00 174.74 171.87 1i1i s VAL 390 N 3.35 0.43 -2.16 0.89 -7.23 -1.26 -4.98 120.40 109.44 1i1i s VAL 390 Ca 0.49 -2.00 0.24 0.00 -1.81 0.00 0.00 61.98 58.90 1i1i s VAL 390 Cb -0.18 -2.47 0.16 0.00 0.56 0.00 0.00 36.38 34.45 1i1i s VAL 390 CO 0.10 0.00 1.32 -2.67 -0.31 0.00 0.00 175.10 173.54 1i1i n TRP 391 N -0.71 0.00 -3.64 2.82 2.14 -1.26 -4.83 117.44 111.95 1i1i n TRP 391 Ca -0.01 0.00 -0.05 0.00 2.07 0.00 0.00 57.50 59.51 1i1i n TRP 391 Cb 0.65 -0.03 -0.07 0.00 -0.81 0.00 0.00 31.31 31.04 1i1i n TRP 391 CO 0.00 0.00 0.00 1.21 2.07 0.00 0.00 177.69 180.97 1i1i s ASN 392 N -2.36 -0.54 0.58 -0.67 3.84 -1.26 -4.60 114.94 109.93 1i1i s ASN 392 Ca 0.24 0.91 0.23 0.00 0.21 0.00 0.00 52.86 54.45 1i1i s ASN 392 Cb 0.19 1.13 1.26 0.00 -0.55 0.00 0.00 41.25 43.29 1i1i s ASN 392 CO 0.49 -0.15 1.69 0.07 -2.79 0.00 0.00 177.10 176.41 1i1i h LYS 393 N 5.61 0.00 0.00 0.43 2.10 -1.99 0.32 116.57 123.03 1i1i h LYS 393 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1i1i h LYS 393 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1i1i h LYS 393 CO 0.16 0.00 -0.15 0.45 -2.00 0.00 0.00 179.45 177.91 1i1i n SER 394 N -2.65 0.31 -4.78 7.07 2.88 -1.26 -4.85 113.62 110.34 1i1i n SER 394 Ca -0.02 0.34 -0.39 0.00 -1.33 0.00 0.00 58.87 57.47 1i1i n SER 394 Cb 0.42 -0.35 -0.06 0.00 -0.75 0.00 0.00 64.21 63.47 1i1i n SER 394 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1i1i s VAL 395 N -3.03 4.66 0.09 2.46 1.01 0.11 -4.77 120.40 120.92 1i1i s VAL 395 Ca 0.12 1.44 0.08 0.00 0.00 0.00 0.00 61.98 63.62 1i1i s VAL 395 Cb 0.17 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1i1i s VAL 395 CO 0.59 0.49 -0.18 -0.94 0.00 0.00 0.00 175.10 175.06 1i1i s SER 396 N -0.78 3.87 -0.06 3.32 1.04 -1.11 -4.95 113.70 115.03 1i1i s SER 396 Ca 0.33 -0.50 0.05 0.00 0.48 0.00 0.00 55.95 56.31 1i1i s SER 396 Cb -0.21 -0.58 -0.02 0.00 0.10 0.00 0.00 66.02 65.31 1i1i s SER 396 CO 0.21 0.21 -0.20 -0.22 0.98 0.00 0.00 173.24 174.22 1i1i s LEU 397 N -1.86 2.37 0.02 2.42 2.96 -1.26 -1.17 118.68 122.15 1i1i s LEU 397 Ca 0.17 -0.38 0.07 0.00 -0.22 0.00 0.00 54.13 53.77 1i1i s LEU 397 Cb -0.11 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 1i1i s LEU 397 CO 0.08 0.28 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.87 1i1i s TYR 398 N -0.36 1.92 -0.16 5.38 1.51 0.09 0.35 117.35 126.08 1i1i s TYR 398 Ca 0.03 -0.37 -0.07 0.00 -1.01 0.00 0.00 57.07 55.64 1i1i s TYR 398 Cb -0.12 -1.19 -0.04 0.00 -0.11 0.00 0.00 41.96 40.50 1i1i s TYR 398 CO 0.02 0.04 0.09 0.99 -1.11 0.00 0.00 175.55 175.59 1i1i s THR 399 N -0.67 5.10 -0.26 -0.71 2.01 0.83 -1.27 115.64 120.67 1i1i s THR 399 Ca 0.08 0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.09 1i1i s THR 399 Cb -0.09 -3.27 -0.00 0.00 0.01 0.00 0.00 72.50 69.15 1i1i s THR 399 CO 0.01 0.51 0.04 -0.69 -0.69 0.00 0.00 174.62 173.79 1i1i s VAL 400 N -0.11 3.82 0.19 3.82 1.01 0.20 -1.39 120.40 127.93 1i1i s VAL 400 Ca 0.08 -0.53 0.09 0.00 0.00 0.00 0.00 61.98 61.62 1i1i s VAL 400 Cb -0.12 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1i1i s VAL 400 CO 0.01 0.24 -0.09 -0.54 0.00 0.00 0.00 175.10 174.72 1i1i s LYS 401 N 1.51 2.09 -0.14 2.72 1.02 -0.37 -0.35 119.74 126.23 1i1i s LYS 401 Ca 0.04 -1.28 -0.25 0.00 0.02 0.00 0.00 55.97 54.51 1i1i s LYS 401 Cb -0.16 -2.17 -0.02 0.00 -0.52 0.00 0.00 37.83 34.97 1i1i s LYS 401 CO 0.01 0.43 0.81 0.34 -0.92 0.00 0.00 175.35 176.01 1i1i s ASP 402 N -2.90 6.98 0.20 2.83 -1.08 0.62 -0.21 116.67 123.10 1i1i s ASP 402 Ca 0.25 1.19 -0.15 0.00 -0.52 0.00 0.00 52.55 53.33 1i1i s ASP 402 Cb -0.09 -2.45 0.20 0.00 -1.46 0.00 0.00 42.92 39.13 1i1i s ASP 402 CO 0.16 -0.33 1.63 0.11 0.52 0.00 0.00 175.17 177.25 1i1i h LYS 403 N 7.19 -0.03 0.35 4.34 1.57 -1.52 0.43 116.57 128.91 1i1i h LYS 403 Ca -0.32 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1i1i h LYS 403 Cb 1.15 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1i1i h LYS 403 CO 0.81 -0.02 -0.17 0.00 -0.57 0.00 0.00 179.45 179.50 1i1i h ALA 404 N 1.52 -0.48 0.00 3.86 0.00 -1.93 -3.36 119.26 118.88 1i1i h ALA 404 Ca 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1i1i h ALA 404 Cb 0.46 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1i1i h ALA 404 CO -0.62 -0.66 -1.02 0.25 0.00 0.00 0.00 179.25 177.20 1i1i n THR 405 N -5.21 0.10 -0.28 0.00 -2.24 -1.20 -4.96 114.28 100.50 1i1i n THR 405 Ca -0.10 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1i1i n THR 405 Cb 0.26 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1i1i n THR 405 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i1i n GLY 406 N 1.40 2.06 3.66 3.38 0.00 0.14 -4.98 105.19 110.85 1i1i n GLY 406 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 1i1i n GLY 406 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1i1i n GLU 407 N -2.00 2.00 -2.88 1.61 2.13 -1.26 -4.55 120.64 115.70 1i1i n GLU 407 Ca 0.00 0.72 -0.43 0.00 0.66 0.00 0.00 57.16 58.11 1i1i n GLU 407 Cb 0.00 -2.45 -0.04 0.00 0.27 0.00 0.00 31.44 29.22 1i1i n GLU 407 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1i1i s VAL 408 N 0.65 4.37 0.14 6.31 1.01 0.13 -0.28 120.40 132.73 1i1i s VAL 408 Ca 0.77 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 62.26 1i1i s VAL 408 Cb -0.71 -4.66 -0.08 0.00 0.00 0.00 0.00 36.38 30.94 1i1i s VAL 408 CO 0.41 -1.42 1.44 -0.07 0.00 0.00 0.00 175.10 175.46 1i1i h LEU 409 N 11.22 0.89 0.00 3.92 3.38 -0.97 -3.46 115.31 130.29 1i1i h LEU 409 Ca -0.29 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.21 1i1i h LEU 409 Cb 1.07 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1i1i h LEU 409 CO 1.17 1.25 0.00 0.61 0.09 0.00 0.00 178.44 181.56 1i1i n GLY 410 N 0.32 -1.18 3.16 0.83 0.00 -1.19 -2.39 105.19 104.75 1i1i n GLY 410 Ca -0.04 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 1i1i n GLY 410 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i1i s GLN 411 N -0.81 0.80 0.01 1.61 -0.21 -0.30 0.61 119.66 121.38 1i1i s GLN 411 Ca 0.00 -1.11 0.01 0.00 0.02 0.00 0.00 55.36 54.28 1i1i s GLN 411 Cb 0.00 -0.48 -0.01 0.00 1.00 0.00 0.00 33.01 33.52 1i1i s GLN 411 CO 0.00 0.07 -0.04 -0.59 -2.12 0.00 0.00 175.29 172.61 1i1i s PHE 412 N -2.37 0.32 0.04 0.91 -0.12 -0.40 -1.45 117.98 114.91 1i1i s PHE 412 Ca 0.04 -0.29 0.02 0.00 -0.05 0.00 0.00 56.93 56.64 1i1i s PHE 412 Cb -0.03 -0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.11 1i1i s PHE 412 CO -0.00 -0.08 0.07 0.71 -0.05 0.00 0.00 175.22 175.86 1i1i s TYR 413 N -0.79 3.21 -0.23 3.49 1.51 0.22 -0.73 117.35 124.03 1i1i s TYR 413 Ca -0.07 0.12 0.00 0.00 -1.01 0.00 0.00 57.07 56.12 1i1i s TYR 413 Cb -0.06 -1.67 0.03 0.00 -0.11 0.00 0.00 41.96 40.15 1i1i s TYR 413 CO -0.00 0.52 -0.11 -0.51 -1.11 0.00 0.00 175.55 174.35 1i1i s LEU 414 N -2.04 2.99 -0.46 -1.29 1.43 -0.32 -0.29 118.68 118.71 1i1i s LEU 414 Ca 0.26 -0.94 0.03 0.00 -1.03 0.00 0.00 54.13 52.45 1i1i s LEU 414 Cb -0.12 -1.59 0.12 0.00 0.03 0.00 0.00 46.19 44.63 1i1i s LEU 414 CO 0.17 -0.11 0.20 -0.62 0.23 0.00 0.00 176.35 176.22 1i1i s ASP 415 N 1.27 4.61 0.00 2.29 -1.08 -0.25 -2.73 116.67 120.77 1i1i s ASP 415 Ca -0.01 -2.65 0.22 0.00 -0.52 0.00 0.00 52.55 49.59 1i1i s ASP 415 Cb -0.17 -1.67 -0.13 0.00 -1.46 0.00 0.00 42.92 39.50 1i1i s ASP 415 CO -0.07 -0.31 0.97 0.18 0.52 0.00 0.00 175.17 176.46 1i1i n LEU 416 N 3.62 1.03 -4.52 -1.34 4.77 -1.26 -1.33 117.00 117.98 1i1i n LEU 416 Ca 0.04 -0.47 -0.30 0.00 -0.03 0.00 0.00 56.01 55.26 1i1i n LEU 416 Cb 0.37 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.32 1i1i n LEU 416 CO 0.30 0.25 -0.46 -0.31 -1.33 0.00 0.00 177.39 175.83 1i1i s TYR 417 N -2.95 2.62 0.42 -1.77 2.02 -1.23 0.04 117.35 116.49 1i1i s TYR 417 Ca 0.09 -0.22 -0.26 0.00 -0.37 0.00 0.00 57.07 56.31 1i1i s TYR 417 Cb 0.16 -1.40 -0.09 0.00 -0.40 0.00 0.00 41.96 40.24 1i1i s TYR 417 CO 0.83 0.39 1.40 -1.25 -1.57 0.00 0.00 175.55 175.34 1i1i s PRO 418 N -2.07 3.88 -0.05 -1.71 0.04 -1.26 -4.81 135.00 129.01 1i1i s PRO 418 Ca 0.19 2.37 -0.17 0.00 0.04 0.00 0.00 61.00 63.43 1i1i s PRO 418 Cb -0.11 -2.77 0.03 0.00 0.04 0.00 0.00 34.50 31.70 1i1i s PRO 418 CO 0.11 -0.65 0.38 0.50 0.04 0.00 0.00 177.00 177.38 1i1i s ARG 419 N -2.29 0.67 0.19 4.56 3.52 -1.26 -5.07 118.95 119.27 1i1i s ARG 419 Ca 0.58 0.06 -0.31 0.00 -0.13 0.00 0.00 55.73 55.92 1i1i s ARG 419 Cb -0.43 0.31 -0.10 0.00 -1.56 0.00 0.00 34.95 33.17 1i1i s ARG 419 CO 0.56 -0.17 1.58 -2.00 -0.81 0.00 0.00 175.30 174.46 1i1i s GLU 420 N -0.91 4.20 0.00 5.12 2.12 -1.26 -1.88 118.70 126.09 1i1i s GLU 420 Ca -0.10 2.41 0.00 0.00 0.36 0.00 0.00 54.97 57.64 1i1i s GLU 420 Cb -0.04 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.22 1i1i s GLU 420 CO 0.04 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 174.56 1i1i n GLY 421 N 3.54 2.61 3.77 -1.50 0.00 -1.26 -4.77 105.19 107.57 1i1i n GLY 421 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1i1i n GLY 421 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i1i s LYS 422 N -0.40 4.63 -0.12 1.61 2.20 -0.79 -4.57 119.74 122.30 1i1i s LYS 422 Ca 0.00 1.29 -0.41 0.00 -0.36 0.00 0.00 55.97 56.49 1i1i s LYS 422 Cb 0.00 -3.06 -0.19 0.00 -1.51 0.00 0.00 37.83 33.07 1i1i s LYS 422 CO 0.00 0.43 1.28 0.98 -0.36 0.00 0.00 175.35 177.68 1i1i n TYR 423 N 1.08 1.14 0.73 4.03 9.36 0.88 -4.81 117.16 129.57 1i1i n TYR 423 Ca -0.01 0.97 0.10 0.00 3.32 0.00 0.00 57.90 62.28 1i1i n TYR 423 Cb 0.49 -2.19 0.28 0.00 -0.63 0.00 0.00 39.34 37.29 1i1i n TYR 423 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1i1i n ASN 424 N 2.51 2.51 -4.65 2.98 6.94 -1.26 -4.88 115.26 119.41 1i1i n ASN 424 Ca 0.23 -1.88 -0.26 0.00 -0.02 0.00 0.00 54.58 52.65 1i1i n ASN 424 Cb 0.07 -0.20 -0.09 0.00 -2.36 0.00 0.00 39.78 37.19 1i1i n ASN 424 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1i1i s HIS 425 N -1.59 2.54 0.13 -2.53 3.76 -1.26 -4.88 115.29 111.46 1i1i s HIS 425 Ca 0.35 -0.59 -0.25 0.00 -0.15 0.00 0.00 55.06 54.41 1i1i s HIS 425 Cb 0.19 -1.75 -0.07 0.00 1.11 0.00 0.00 32.58 32.06 1i1i s HIS 425 CO 0.27 0.39 0.77 0.00 -0.85 0.00 0.00 174.74 175.32 1i1i s ALA 426 N -2.64 3.43 0.01 -1.40 0.00 -1.26 -4.59 121.76 115.31 1i1i s ALA 426 Ca 0.37 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.38 1i1i s ALA 426 Cb 0.06 -2.97 0.10 0.00 0.00 0.00 0.00 23.12 20.31 1i1i s ALA 426 CO 0.19 0.23 0.99 0.00 0.00 0.00 0.00 175.76 177.17 1i1i s ALA 427 N -0.84 -1.85 -0.15 0.00 0.00 0.01 -5.02 121.76 113.91 1i1i s ALA 427 Ca 0.37 0.83 0.01 0.00 0.00 0.00 0.00 51.96 53.17 1i1i s ALA 427 Cb -0.22 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.31 1i1i s ALA 427 CO 0.25 -0.80 -0.16 0.00 0.00 0.00 0.00 175.76 175.05 1i1i s PHE 429 N 1.29 3.36 -0.28 0.00 0.40 -0.31 -4.96 117.98 117.48 1i1i s PHE 429 Ca 0.02 0.25 -0.21 0.00 -0.60 0.00 0.00 56.93 56.39 1i1i s PHE 429 Cb -0.13 -2.02 -0.01 0.00 0.51 0.00 0.00 43.02 41.36 1i1i s PHE 429 CO -0.09 0.37 0.68 0.20 0.70 0.00 0.00 175.22 177.08 1i1i s GLY 430 N -0.16 1.78 -0.13 4.36 0.00 -1.26 -1.48 107.32 110.43 1i1i s GLY 430 Ca 0.08 -0.46 0.15 0.00 0.00 0.00 0.00 44.72 44.50 1i1i s GLY 430 CO 0.01 1.54 0.14 1.04 0.00 0.00 0.00 173.10 175.83 1i1i n LEU 431 N 5.88 0.00 -3.71 0.66 4.77 -0.37 -4.97 117.00 119.26 1i1i n LEU 431 Ca 0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 1i1i n LEU 431 Cb 0.49 0.31 -0.12 0.00 -2.33 0.00 0.00 43.42 41.76 1i1i n LEU 431 CO 0.45 0.31 -0.06 -1.58 -1.33 0.00 0.00 177.39 175.19 1i1i s GLN 432 N -2.61 0.27 0.44 3.23 0.74 -0.95 -4.79 119.66 115.99 1i1i s GLN 432 Ca -0.08 0.67 -0.21 0.00 0.05 0.00 0.00 55.36 55.79 1i1i s GLN 432 Cb 0.06 -0.06 -0.11 0.00 1.10 0.00 0.00 33.01 34.01 1i1i s GLN 432 CO 0.69 -0.18 0.96 -1.25 -0.55 0.00 0.00 175.29 174.96 1i1i s PRO 433 N 1.50 4.18 -1.13 1.67 0.04 -1.26 -1.37 135.00 138.63 1i1i s PRO 433 Ca -0.08 1.14 -0.04 0.00 0.04 0.00 0.00 61.00 62.06 1i1i s PRO 433 Cb -0.10 -2.17 0.27 0.00 0.04 0.00 0.00 34.50 32.54 1i1i s PRO 433 CO -0.10 -0.08 1.77 0.41 0.04 0.00 0.00 177.00 179.04 1i1i n GLY 434 N -0.62 5.43 3.18 0.56 0.00 -1.26 -4.28 105.19 108.20 1i1i n GLY 434 Ca 0.07 -2.48 -0.26 0.00 0.00 0.00 0.00 46.02 43.36 1i1i n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1i s LEU 436 N 0.00 4.39 0.47 0.00 1.43 -0.98 -0.02 118.68 123.97 1i1i s LEU 436 Ca 0.09 1.89 0.05 0.00 -1.03 0.00 0.00 54.13 55.13 1i1i s LEU 436 Cb -0.01 -3.94 0.02 0.00 0.03 0.00 0.00 46.19 42.29 1i1i s LEU 436 CO 0.06 -0.06 0.65 -0.76 0.23 0.00 0.00 176.35 176.47 1i1i s LEU 437 N -1.91 3.52 0.39 1.79 1.43 0.13 -4.82 118.68 119.22 1i1i s LEU 437 Ca 0.49 -0.26 0.18 0.00 -1.03 0.00 0.00 54.13 53.51 1i1i s LEU 437 Cb -0.21 -2.74 1.09 0.00 0.03 0.00 0.00 46.19 44.36 1i1i s LEU 437 CO 0.26 -0.90 1.76 -0.65 0.23 0.00 0.00 176.35 177.06 1i1i h PRO 438 N 0.43 0.39 -0.56 1.29 0.11 -1.97 -0.81 132.00 130.88 1i1i h PRO 438 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1i1i h PRO 438 Cb 1.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1i1i h PRO 438 CO 0.48 0.26 0.00 -0.40 -0.21 0.00 0.00 178.00 178.13 1i1i n ASP 439 N -4.65 2.82 0.00 -2.05 5.75 -1.26 -4.89 116.55 112.27 1i1i n ASP 439 Ca 0.26 -2.21 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1i1i n ASP 439 Cb 0.88 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1i1i n ASP 439 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i1i n GLY 440 N 0.84 1.81 3.83 6.12 0.00 -0.31 -5.02 105.19 112.46 1i1i n GLY 440 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1i1i n GLY 440 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i1i s SER 441 N -3.33 5.73 -0.10 1.61 1.04 -1.26 -4.72 113.70 112.67 1i1i s SER 441 Ca 0.00 1.61 -0.09 0.00 0.48 0.00 0.00 55.95 57.95 1i1i s SER 441 Cb 0.00 -2.50 -0.04 0.00 0.10 0.00 0.00 66.02 63.58 1i1i s SER 441 CO 0.00 -1.21 0.21 -0.60 0.98 0.00 0.00 173.24 172.62 1i1i s ARG 442 N -4.80 3.62 0.19 4.02 3.52 -1.26 0.22 118.95 124.46 1i1i s ARG 442 Ca 0.59 -0.01 -0.29 0.00 -0.13 0.00 0.00 55.73 55.89 1i1i s ARG 442 Cb -0.13 -3.22 -0.08 0.00 -1.56 0.00 0.00 34.95 29.96 1i1i s ARG 442 CO 0.49 0.71 0.91 1.41 -0.81 0.00 0.00 175.30 178.01 1i1i s MET 443 N -0.91 4.76 0.07 5.12 -2.45 0.97 -4.89 119.30 121.98 1i1i s MET 443 Ca 0.17 1.41 -0.30 0.00 -1.25 0.00 0.00 55.69 55.71 1i1i s MET 443 Cb -0.13 -3.30 -0.06 0.00 1.25 0.00 0.00 34.83 32.59 1i1i s MET 443 CO 0.06 0.45 1.16 1.41 1.05 0.00 0.00 175.02 179.15 1i1i s MET 444 N -0.86 4.47 0.34 4.11 1.75 -1.26 -3.94 119.30 123.90 1i1i s MET 444 Ca 0.41 1.72 -0.27 0.00 -1.25 0.00 0.00 55.69 56.31 1i1i s MET 444 Cb -0.25 -3.35 -0.09 0.00 2.84 0.00 0.00 34.83 33.98 1i1i s MET 444 CO 0.30 -0.19 1.06 0.45 -0.65 0.00 0.00 175.02 176.00 1i1i s SER 445 N 0.89 7.01 -0.01 1.11 0.15 -1.01 -4.61 113.70 117.23 1i1i s SER 445 Ca 0.57 2.13 0.01 0.00 0.70 0.00 0.00 55.95 59.36 1i1i s SER 445 Cb -0.28 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.43 1i1i s SER 445 CO 0.30 -0.32 -0.04 -0.69 1.20 0.00 0.00 173.24 173.69 1i1i s VAL 446 N -1.43 0.40 0.05 4.45 1.01 -0.47 -1.15 120.40 123.25 1i1i s VAL 446 Ca 0.51 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.33 1i1i s VAL 446 Cb -0.26 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1i1i s VAL 446 CO 0.33 0.14 -0.04 0.00 0.00 0.00 0.00 175.10 175.53 1i1i s ALA 447 N 0.19 0.46 -0.09 5.51 0.00 -0.52 -1.24 121.76 126.07 1i1i s ALA 447 Ca -0.02 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1i1i s ALA 447 Cb -0.06 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1i1i s ALA 447 CO -0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 175.76 175.40 1i1i s ALA 448 N -2.89 1.32 -0.31 0.00 0.00 -0.55 -0.61 121.76 118.73 1i1i s ALA 448 Ca -0.01 -0.50 -0.17 0.00 0.00 0.00 0.00 51.96 51.27 1i1i s ALA 448 Cb 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 1i1i s ALA 448 CO -0.06 -0.17 0.49 -1.17 0.00 0.00 0.00 175.76 174.85 1i1i s LEU 449 N 1.22 4.19 -0.29 0.00 0.20 0.60 -1.17 118.68 123.44 1i1i s LEU 449 Ca -0.04 0.21 0.01 0.00 0.69 0.00 0.00 54.13 55.00 1i1i s LEU 449 Cb -0.14 -2.58 0.06 0.00 -0.43 0.00 0.00 46.19 43.10 1i1i s LEU 449 CO -0.03 -0.37 -0.04 -0.69 -0.29 0.00 0.00 176.35 174.94 1i1i s VAL 450 N 2.31 2.51 0.29 1.68 1.01 0.44 -1.09 120.40 127.56 1i1i s VAL 450 Ca 0.19 -1.67 0.02 0.00 0.00 0.00 0.00 61.98 60.52 1i1i s VAL 450 Cb -0.16 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1i1i s VAL 450 CO 0.11 -0.17 0.11 0.68 0.00 0.00 0.00 175.10 175.83 1i1i s VAL 451 N 1.13 0.62 -0.50 2.92 -7.23 -0.44 -0.81 120.40 116.08 1i1i s VAL 451 Ca -0.04 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.16 1i1i s VAL 451 Cb -0.20 -2.61 0.16 0.00 0.56 0.00 0.00 36.38 34.29 1i1i s VAL 451 CO -0.04 0.00 0.35 0.20 -0.31 0.00 0.00 175.10 175.30 1i1i s ASN 452 N -3.38 3.19 0.13 4.85 0.01 -1.25 -3.58 114.94 114.91 1i1i s ASN 452 Ca 0.36 -3.11 -0.09 0.00 -0.71 0.00 0.00 52.86 49.31 1i1i s ASN 452 Cb 0.07 -0.97 -0.06 0.00 0.41 0.00 0.00 41.25 40.70 1i1i s ASN 452 CO 0.15 -0.18 0.43 -0.36 -1.51 0.00 0.00 177.10 175.63 1i1i s PHE 453 N -0.24 3.53 0.10 2.20 0.08 0.11 -4.72 117.98 119.03 1i1i s PHE 453 Ca 0.25 0.76 -0.35 0.00 0.12 0.00 0.00 56.93 57.71 1i1i s PHE 453 Cb -0.09 -2.15 -0.17 0.00 -0.57 0.00 0.00 43.02 40.04 1i1i s PHE 453 CO -0.12 0.44 1.12 0.43 -0.10 0.00 0.00 175.22 176.99 1i1i n SER 454 N 0.48 0.77 -4.93 1.36 7.64 -1.26 -4.23 113.62 113.45 1i1i n SER 454 Ca -0.05 1.14 -0.25 0.00 1.01 0.00 0.00 58.87 60.72 1i1i n SER 454 Cb 0.52 -1.10 0.06 0.00 -1.01 0.00 0.00 64.21 62.68 1i1i n SER 454 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1i1i s GLN 455 N -0.11 2.37 -0.01 1.43 -0.21 -1.26 -4.43 119.66 117.43 1i1i s GLN 455 Ca 0.80 -0.29 -0.30 0.00 0.02 0.00 0.00 55.36 55.59 1i1i s GLN 455 Cb -1.01 -2.23 -0.06 0.00 1.00 0.00 0.00 33.01 30.71 1i1i s GLN 455 CO 0.53 -1.07 1.49 -1.25 -2.12 0.00 0.00 175.29 172.86 1i1i s PRO 456 N -5.13 4.24 0.01 2.91 0.04 -1.26 -4.63 135.00 131.17 1i1i s PRO 456 Ca 0.59 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.73 1i1i s PRO 456 Cb -0.11 -3.69 -0.03 0.00 0.04 0.00 0.00 34.50 30.72 1i1i s PRO 456 CO 0.44 -0.67 -0.14 0.14 0.04 0.00 0.00 177.00 176.81 1i1i s VAL 457 N 2.90 3.12 0.00 -0.36 -7.23 -1.21 -4.95 120.40 112.68 1i1i s VAL 457 Ca 0.67 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 1i1i s VAL 457 Cb -0.32 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.31 1i1i s VAL 457 CO 0.27 0.42 0.00 0.00 -0.31 0.00 0.00 175.10 175.48 1i1i n ALA 458 N 1.75 0.00 0.77 1.32 0.00 -1.26 -2.50 120.51 120.59 1i1i n ALA 458 Ca -0.16 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.40 1i1i n ALA 458 Cb 0.52 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.23 1i1i n ALA 458 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i1i n GLY 459 N 0.00 -1.38 3.78 0.00 0.00 -1.26 -4.92 105.19 101.41 1i1i n GLY 459 Ca 0.00 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 1i1i n GLY 459 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i1i s ARG 460 N -3.09 3.96 1.05 1.61 0.52 -1.04 -5.05 118.95 116.91 1i1i s ARG 460 Ca 0.09 1.56 -0.17 0.00 -0.52 0.00 0.00 55.73 56.69 1i1i s ARG 460 Cb 0.15 -2.40 0.23 0.00 0.52 0.00 0.00 34.95 33.45 1i1i s ARG 460 CO 0.69 -0.33 1.20 -2.14 0.02 0.00 0.00 175.30 174.74 1i1i s PRO 461 N -2.72 -0.06 -0.01 3.54 0.02 -1.26 -3.34 135.00 131.17 1i1i s PRO 461 Ca 0.62 -0.15 -0.30 0.00 0.02 0.00 0.00 61.00 61.19 1i1i s PRO 461 Cb -0.23 -1.74 -0.07 0.00 0.02 0.00 0.00 34.50 32.49 1i1i s PRO 461 CO 0.28 -2.93 1.67 0.45 -0.33 0.00 0.00 177.00 176.14 1i1i s SER 462 N -4.32 6.64 -0.15 2.53 0.15 -1.26 -4.59 113.70 112.70 1i1i s SER 462 Ca 0.71 2.34 0.01 0.00 0.70 0.00 0.00 55.95 59.71 1i1i s SER 462 Cb -0.08 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1i1i s SER 462 CO 0.54 -0.91 -0.16 -0.76 1.20 0.00 0.00 173.24 173.15 1i1i s LEU 463 N 3.57 2.42 -0.11 3.45 1.43 -1.26 -0.98 118.68 127.20 1i1i s LEU 463 Ca 0.74 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 53.23 1i1i s LEU 463 Cb -0.36 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 1i1i s LEU 463 CO 0.31 0.08 0.28 -0.76 0.23 0.00 0.00 176.35 176.49 1i1i s LEU 464 N 0.83 4.34 0.78 1.79 1.02 -0.80 -4.75 118.68 121.89 1i1i s LEU 464 Ca -0.05 0.60 -0.11 0.00 0.02 0.00 0.00 54.13 54.59 1i1i s LEU 464 Cb -0.15 -2.34 0.06 0.00 0.02 0.00 0.00 46.19 43.77 1i1i s LEU 464 CO -0.01 0.23 1.09 -0.13 0.02 0.00 0.00 176.35 177.56 1i1i s ARG 465 N -0.29 2.24 0.28 1.70 0.52 -1.26 -4.23 118.95 117.91 1i1i s ARG 465 Ca 0.18 0.72 -0.02 0.00 -0.52 0.00 0.00 55.73 56.09 1i1i s ARG 465 Cb -0.14 -1.93 0.44 0.00 0.52 0.00 0.00 34.95 33.84 1i1i s ARG 465 CO 0.06 -1.53 1.90 1.25 0.02 0.00 0.00 175.30 177.00 1i1i h HIS 466 N -1.03 1.14 0.00 -0.53 -0.00 -1.94 -0.90 115.15 111.90 1i1i h HIS 466 Ca -0.46 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 59.92 1i1i h HIS 466 Cb 1.26 -0.38 -0.00 0.00 -0.00 0.00 0.00 27.41 28.29 1i1i h HIS 466 CO 0.50 0.62 -0.09 0.38 -0.00 0.00 0.00 177.93 179.34 1i1i h ASP 467 N 1.14 0.00 0.58 3.26 2.03 -1.98 -0.42 116.42 121.03 1i1i h ASP 467 Ca 0.40 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.42 1i1i h ASP 467 Cb 0.12 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.63 1i1i h ASP 467 CO -0.14 0.09 -1.26 -0.33 -1.03 0.00 0.00 179.24 176.56 1i1i h GLU 468 N 0.00 0.31 -0.26 4.15 5.08 -1.54 -1.55 114.58 120.76 1i1i h GLU 468 Ca -0.00 -0.52 -0.08 0.00 -1.00 0.00 0.00 59.36 57.76 1i1i h GLU 468 Cb 0.39 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1i1i h GLU 468 CO 0.01 1.24 -0.18 0.28 -1.00 0.00 0.00 179.01 179.36 1i1i h VAL 469 N 0.09 1.24 -0.14 3.13 2.07 -0.69 0.47 116.25 122.41 1i1i h VAL 469 Ca -0.15 -1.11 -0.13 0.00 0.82 0.00 0.00 66.70 66.14 1i1i h VAL 469 Cb 1.99 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1i1i h VAL 469 CO 0.21 0.36 -0.46 -0.09 0.02 0.00 0.00 177.57 177.61 1i1i h ARG 470 N 0.41 0.35 -0.25 1.57 2.43 -1.01 -2.20 114.38 115.69 1i1i h ARG 470 Ca 0.07 -0.19 -0.20 0.00 -0.81 0.00 0.00 59.98 58.85 1i1i h ARG 470 Cb 0.56 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1i1i h ARG 470 CO 0.04 0.75 -0.61 1.15 -1.51 0.00 0.00 179.97 179.78 1i1i h THR 471 N 0.29 1.27 -0.08 0.20 2.02 -0.57 -1.09 112.91 114.95 1i1i h THR 471 Ca 0.02 -1.80 0.03 0.00 0.77 0.00 0.00 66.41 65.43 1i1i h THR 471 Cb 0.92 1.72 -0.04 0.00 -1.74 0.00 0.00 68.15 69.02 1i1i h THR 471 CO 0.08 0.58 -0.12 0.22 0.37 0.00 0.00 175.52 176.65 1i1i h TYR 472 N 0.63 -0.30 -0.69 3.16 5.03 -0.76 -0.30 116.97 123.74 1i1i h TYR 472 Ca -0.00 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.30 1i1i h TYR 472 Cb 1.23 0.15 -0.03 0.00 1.55 0.00 0.00 36.73 39.62 1i1i h TYR 472 CO 0.08 -0.18 0.36 0.74 -1.32 0.00 0.00 178.16 177.84 1i1i h PHE 473 N -0.16 0.96 0.47 -3.82 -1.00 -1.36 -0.38 116.94 111.66 1i1i h PHE 473 Ca 0.07 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.81 1i1i h PHE 473 Cb 0.26 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 39.50 1i1i h PHE 473 CO -0.22 0.70 -0.51 1.25 -1.61 0.00 0.00 178.31 177.92 1i1i h HIS 474 N 0.95 -1.41 -0.93 -0.55 2.76 -0.61 -0.72 115.15 114.64 1i1i h HIS 474 Ca 0.24 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.45 1i1i h HIS 474 Cb 0.07 0.55 -0.05 0.00 1.55 0.00 0.00 27.41 29.53 1i1i h HIS 474 CO -0.00 -0.67 0.61 0.93 -1.30 0.00 0.00 177.93 177.50 1i1i h GLU 475 N -0.99 1.16 0.00 5.26 3.07 -0.99 -0.36 114.58 121.73 1i1i h GLU 475 Ca -0.06 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.72 1i1i h GLU 475 Cb 0.87 -0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1i1i h GLU 475 CO -0.08 0.77 -0.07 0.35 -1.40 0.00 0.00 179.01 178.57 1i1i h PHE 476 N 1.20 0.00 -0.52 4.33 3.57 -0.80 -0.50 116.94 124.21 1i1i h PHE 476 Ca 0.36 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.76 1i1i h PHE 476 Cb -0.04 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 1i1i h PHE 476 CO -0.01 0.07 -0.06 0.78 -2.23 0.00 0.00 178.31 176.86 1i1i h GLY 477 N 0.97 1.01 1.10 2.40 0.00 0.49 -1.19 103.07 107.85 1i1i h GLY 477 Ca -0.00 -0.75 -0.15 0.00 0.00 0.00 0.00 47.33 46.43 1i1i h GLY 477 CO 0.01 0.69 -0.34 0.45 0.00 0.00 0.00 176.54 177.35 1i1i h HIS 478 N 0.85 1.08 -0.51 5.60 3.86 -1.00 -2.54 115.15 122.49 1i1i h HIS 478 Ca 0.15 -0.31 0.04 0.00 -1.16 0.00 0.00 60.37 59.08 1i1i h HIS 478 Cb 0.58 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.78 1i1i h HIS 478 CO 0.04 1.13 0.28 0.28 0.86 0.00 0.00 177.93 180.51 1i1i h VAL 479 N 0.72 0.99 -0.19 2.45 2.07 -0.90 0.14 116.25 121.54 1i1i h VAL 479 Ca 0.07 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1i1i h VAL 479 Cb 0.93 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1i1i h VAL 479 CO 0.09 0.10 -0.21 0.24 0.02 0.00 0.00 177.57 177.81 1i1i h MET 480 N 0.55 0.34 -0.05 1.57 2.86 -1.20 0.38 114.93 119.37 1i1i h MET 480 Ca 0.22 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1i1i h MET 480 Cb 0.09 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1i1i h MET 480 CO -0.13 0.53 -0.00 1.25 1.06 0.00 0.00 176.91 179.62 1i1i h HIS 481 N 0.31 0.10 -0.06 -0.22 6.17 -0.86 0.14 115.15 120.73 1i1i h HIS 481 Ca 0.05 -0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.14 1i1i h HIS 481 Cb 0.54 -0.03 -0.03 0.00 2.52 0.00 0.00 27.41 30.42 1i1i h HIS 481 CO 0.01 0.37 -0.09 0.37 0.71 0.00 0.00 177.93 179.30 1i1i h GLN 482 N -0.20 -0.13 -0.20 5.26 5.75 -0.47 -1.71 115.11 123.41 1i1i h GLN 482 Ca 0.02 0.01 -0.19 0.00 -0.15 0.00 0.00 58.65 58.33 1i1i h GLN 482 Cb 0.33 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.91 1i1i h GLN 482 CO 0.00 -0.09 -0.65 0.82 -2.65 0.00 0.00 178.83 176.27 1i1i h ILE 483 N -0.13 1.29 0.00 2.39 2.04 -0.87 -3.25 117.51 118.98 1i1i h ILE 483 Ca 0.05 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 64.04 1i1i h ILE 483 Cb 0.21 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1i1i h ILE 483 CO -0.14 0.59 0.00 0.00 0.00 0.00 0.00 178.15 178.61 1i1i s ALA 485 N -3.14 3.61 -0.19 0.00 0.00 -0.65 -3.89 121.76 117.51 1i1i s ALA 485 Ca 0.09 0.97 -0.02 0.00 0.00 0.00 0.00 51.96 53.00 1i1i s ALA 485 Cb 0.10 -3.63 0.06 0.00 0.00 0.00 0.00 23.12 19.64 1i1i s ALA 485 CO 0.62 -0.99 0.03 -0.65 0.00 0.00 0.00 175.76 174.76 1i1i s GLN 486 N 2.55 0.73 0.34 0.00 -0.21 0.14 -4.37 119.66 118.84 1i1i s GLN 486 Ca 0.67 -0.42 0.03 0.00 0.02 0.00 0.00 55.36 55.66 1i1i s GLN 486 Cb -0.34 -2.06 -0.05 0.00 1.00 0.00 0.00 33.01 31.56 1i1i s GLN 486 CO 0.28 -0.61 0.08 0.95 -2.12 0.00 0.00 175.29 173.87 1i1i s THR 487 N 1.83 0.99 0.03 -0.19 -4.23 -0.91 -4.63 115.64 108.53 1i1i s THR 487 Ca -0.01 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.33 1i1i s THR 487 Cb -0.17 -2.66 -0.26 0.00 1.34 0.00 0.00 72.50 70.76 1i1i s THR 487 CO -0.08 0.00 1.10 0.44 -0.54 0.00 0.00 174.62 175.54 1i1i h ASP 488 N 2.04 0.71 -3.25 3.99 3.45 -1.94 -3.10 116.42 118.32 1i1i h ASP 488 Ca -0.39 -0.79 -0.68 0.00 0.43 0.00 0.00 57.03 55.60 1i1i h ASP 488 Cb 1.25 -0.22 -0.14 0.00 -0.56 0.00 0.00 39.33 39.67 1i1i h ASP 488 CO 0.66 1.42 -0.61 -0.36 -1.57 0.00 0.00 179.24 178.78 1i1i s PHE 489 N -3.09 3.20 0.35 4.55 0.40 -1.26 -2.32 117.98 119.81 1i1i s PHE 489 Ca -0.11 0.21 0.04 0.00 -0.60 0.00 0.00 56.93 56.46 1i1i s PHE 489 Cb 0.05 -1.78 0.67 0.00 0.51 0.00 0.00 43.02 42.46 1i1i s PHE 489 CO 0.88 0.50 1.96 0.00 0.70 0.00 0.00 175.22 179.26 1i1i h ALA 490 N 4.94 1.62 0.00 5.36 0.00 -1.88 -1.89 119.26 127.41 1i1i h ALA 490 Ca -0.51 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1i1i h ALA 490 Cb 1.19 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1i1i h ALA 490 CO 0.56 0.28 0.00 2.89 0.00 0.00 0.00 179.25 182.97 1i1i n ARG 491 N -4.47 0.09 0.00 0.00 1.85 -1.26 -1.66 116.66 111.21 1i1i n ARG 491 Ca 0.10 0.42 0.04 0.00 -1.00 0.00 0.00 57.85 57.42 1i1i n ARG 491 Cb 0.18 -1.71 0.02 0.00 -1.05 0.00 0.00 32.46 29.90 1i1i n ARG 491 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1i1i n PHE 492 N -1.89 0.00 -1.30 2.89 0.99 -0.74 -4.85 117.46 112.56 1i1i n PHE 492 Ca 0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.18 1i1i n PHE 492 Cb 0.14 0.00 0.16 0.00 -1.00 0.00 0.00 39.48 38.77 1i1i n PHE 492 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1i1i s SER 493 N -0.90 3.01 0.92 4.37 1.04 -0.66 0.52 113.70 122.00 1i1i s SER 493 Ca 0.09 1.13 0.00 0.00 0.48 0.00 0.00 55.95 57.65 1i1i s SER 493 Cb 0.07 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.42 1i1i s SER 493 CO 0.14 -2.88 0.00 0.61 0.98 0.00 0.00 173.24 172.09 1i1i n GLY 494 N -1.49 3.06 1.07 7.32 0.00 -1.26 -2.22 105.19 111.66 1i1i n GLY 494 Ca 0.06 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1i1i n GLY 494 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i1i n THR 495 N 0.00 1.14 -0.69 2.61 -2.24 -1.26 -4.29 114.28 109.54 1i1i n THR 495 Ca 0.00 -0.68 -0.16 0.00 -2.27 0.00 0.00 64.05 60.94 1i1i n THR 495 Cb 0.00 -0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.05 1i1i n THR 495 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1i1i n ASN 496 N 0.48 4.23 -4.96 3.42 3.02 -0.94 -4.83 115.26 115.69 1i1i n ASN 496 Ca 0.15 -2.22 -0.24 0.00 -0.03 0.00 0.00 54.58 52.24 1i1i n ASN 496 Cb 0.60 -0.99 0.02 0.00 -0.61 0.00 0.00 39.78 38.80 1i1i n ASN 496 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1i1i s VAL 497 N 2.63 1.75 0.37 2.41 -7.23 -1.26 -4.01 120.40 115.06 1i1i s VAL 497 Ca 0.41 -1.31 -0.28 0.00 -1.81 0.00 0.00 61.98 58.98 1i1i s VAL 497 Cb 0.14 -2.06 -0.11 0.00 0.56 0.00 0.00 36.38 34.91 1i1i s VAL 497 CO -0.02 0.00 1.43 -0.62 -0.31 0.00 0.00 175.10 175.59 1i1i n GLU 498 N -1.97 2.53 -0.33 4.82 4.71 -1.26 -4.72 120.64 124.41 1i1i n GLU 498 Ca 0.05 0.89 0.15 0.00 -0.01 0.00 0.00 57.16 58.23 1i1i n GLU 498 Cb 0.63 -2.58 0.37 0.00 -1.01 0.00 0.00 31.44 28.85 1i1i n GLU 498 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 1i1i h THR 499 N 2.83 0.70 -0.19 2.62 2.02 -1.96 0.56 112.91 119.50 1i1i h THR 499 Ca -0.49 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1i1i h THR 499 Cb 1.25 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1i1i h THR 499 CO 0.63 0.12 0.00 -0.90 0.37 0.00 0.00 175.52 175.75 1i1i n ASP 500 N -4.70 2.30 0.00 4.18 5.68 -1.26 -3.46 116.55 119.29 1i1i n ASP 500 Ca 0.22 -2.25 0.00 0.00 -0.50 0.00 0.00 54.79 52.27 1i1i n ASP 500 Cb 0.61 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1i1i n ASP 500 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1i1i n PHE 501 N 0.20 0.00 0.19 2.11 -0.00 0.19 -4.19 117.46 115.96 1i1i n PHE 501 Ca 0.09 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.67 1i1i n PHE 501 Cb 0.49 0.00 0.70 0.00 -0.00 0.00 0.00 39.48 40.68 1i1i n PHE 501 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.76 176.37 1i1i h VAL 502 N 0.00 0.82 -0.32 -2.13 -1.51 -1.25 -1.43 116.25 110.43 1i1i h VAL 502 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1i1i h VAL 502 Cb 0.00 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 30.08 1i1i h VAL 502 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 175.72 1i1i n GLU 503 N -4.34 2.33 -0.04 5.19 -0.58 -1.26 -4.16 120.64 117.78 1i1i n GLU 503 Ca 0.01 -1.40 -0.12 0.00 -0.42 0.00 0.00 57.16 55.23 1i1i n GLU 503 Cb 0.24 -1.56 -0.10 0.00 -0.57 0.00 0.00 31.44 29.45 1i1i n GLU 503 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1i1i h VAL 504 N 2.02 1.40 -0.87 2.62 2.07 -1.54 -2.72 116.25 119.23 1i1i h VAL 504 Ca 0.00 -1.85 0.04 0.00 0.82 0.00 0.00 66.70 65.70 1i1i h VAL 504 Cb 0.83 2.55 -0.05 0.00 -1.52 0.00 0.00 31.29 33.10 1i1i h VAL 504 CO 0.11 0.44 0.57 -0.65 0.02 0.00 0.00 177.57 178.07 1i1i h PRO 505 N -0.91 1.04 -0.04 1.57 0.11 -1.78 -1.78 132.00 130.21 1i1i h PRO 505 Ca -0.00 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 1i1i h PRO 505 Cb 0.74 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1i1i h PRO 505 CO 0.00 0.69 -0.14 0.66 -0.21 0.00 0.00 178.00 179.00 1i1i h SER 506 N 1.07 0.20 0.56 -2.05 4.64 -1.78 -3.14 113.55 113.05 1i1i h SER 506 Ca 0.35 -0.63 -0.07 0.00 -0.47 0.00 0.00 61.79 60.98 1i1i h SER 506 Cb 0.05 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1i1i h SER 506 CO -0.11 0.79 -0.31 1.56 -0.87 0.00 0.00 176.83 177.89 1i1i h GLN 507 N -0.39 0.00 -0.25 4.77 4.20 -1.39 -2.78 115.11 119.28 1i1i h GLN 507 Ca -0.01 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 1i1i h GLN 507 Cb 0.78 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1i1i h GLN 507 CO 0.03 0.31 -0.39 1.98 -0.67 0.00 0.00 178.83 180.09 1i1i h MET 508 N 0.00 0.57 0.00 1.46 4.05 -1.38 -2.93 114.93 116.69 1i1i h MET 508 Ca -0.00 -0.28 -0.00 0.00 -0.28 0.00 0.00 59.70 59.13 1i1i h MET 508 Cb 0.68 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1i1i h MET 508 CO 0.04 0.87 -0.02 -0.07 0.23 0.00 0.00 176.91 177.96 1i1i h LEU 509 N 0.47 0.00 -1.76 3.39 3.38 -1.44 -2.79 115.31 116.56 1i1i h LEU 509 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1i1i h LEU 509 Cb 0.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1i1i h LEU 509 CO 0.08 0.02 -0.16 -0.33 0.09 0.00 0.00 178.44 178.14 1i1i h GLU 510 N 0.00 0.00 -0.56 1.13 5.08 -1.37 -2.44 114.58 116.42 1i1i h GLU 510 Ca -0.00 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 1i1i h GLU 510 Cb 0.65 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1i1i h GLU 510 CO 0.00 0.16 0.38 -0.91 -1.00 0.00 0.00 179.01 177.64 1i1i h ASN 511 N 0.00 0.24 0.29 1.42 2.35 -1.59 -0.54 115.58 117.75 1i1i h ASN 511 Ca -0.00 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1i1i h ASN 511 Cb 0.39 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1i1i h ASN 511 CO 0.02 0.14 -0.06 -0.50 -1.65 0.00 0.00 177.43 175.39 1i1i h TRP 512 N 0.27 0.00 -0.12 1.19 6.55 -1.63 -1.35 115.95 120.85 1i1i h TRP 512 Ca 0.26 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.10 1i1i h TRP 512 Cb 0.68 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.98 1i1i h TRP 512 CO -0.00 0.06 0.00 1.33 -1.05 0.00 0.00 178.44 178.78 1i1i n VAL 513 N -3.49 0.15 -1.30 1.49 0.24 -0.21 -2.83 118.33 112.39 1i1i n VAL 513 Ca -0.02 -0.23 0.08 0.00 -2.04 0.00 0.00 64.34 62.13 1i1i n VAL 513 Cb 0.18 0.13 0.15 0.00 -1.47 0.00 0.00 33.84 32.83 1i1i n VAL 513 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 1i1i n TRP 514 N -0.05 0.00 -3.86 6.34 7.02 -0.51 -4.92 117.44 121.46 1i1i n TRP 514 Ca 0.14 -1.08 -0.36 0.00 -1.02 0.00 0.00 57.50 55.18 1i1i n TRP 514 Cb 0.23 -0.17 -0.13 0.00 -2.42 0.00 0.00 31.31 28.81 1i1i n TRP 514 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1i1i s ASP 515 N -2.87 4.88 0.23 -0.99 2.15 -1.13 -4.83 116.67 114.11 1i1i s ASP 515 Ca 0.32 -1.05 -0.18 0.00 0.43 0.00 0.00 52.55 52.07 1i1i s ASP 515 Cb 0.29 -1.76 0.22 0.00 -0.30 0.00 0.00 42.92 41.38 1i1i s ASP 515 CO -0.00 -0.23 1.55 0.58 -0.17 0.00 0.00 175.17 176.90 1i1i h VAL 516 N 6.23 0.00 -0.58 1.11 2.07 -1.93 0.11 116.25 123.26 1i1i h VAL 516 Ca -0.26 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1i1i h VAL 516 Cb 1.09 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1i1i h VAL 516 CO 0.57 0.00 0.23 0.44 0.02 0.00 0.00 177.57 178.83 1i1i h ASP 517 N -0.00 0.77 -0.25 0.57 3.45 -1.95 -2.53 116.42 116.48 1i1i h ASP 517 Ca 0.34 -0.10 -0.09 0.00 0.43 0.00 0.00 57.03 57.61 1i1i h ASP 517 Cb 0.59 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.16 1i1i h ASP 517 CO -0.99 0.69 -0.18 0.28 -1.57 0.00 0.00 179.24 177.47 1i1i h SER 518 N 0.83 0.60 -0.74 6.45 0.02 -1.17 -3.08 113.55 116.46 1i1i h SER 518 Ca 0.20 -0.44 0.11 0.00 -0.84 0.00 0.00 61.79 60.81 1i1i h SER 518 Cb 0.17 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 1i1i h SER 518 CO -0.02 0.91 0.49 -0.07 -1.14 0.00 0.00 176.83 177.00 1i1i h LEU 519 N 0.28 0.52 -1.02 5.07 3.38 -0.64 -0.57 115.31 122.34 1i1i h LEU 519 Ca 0.05 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1i1i h LEU 519 Cb 0.72 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1i1i h LEU 519 CO 0.05 0.30 0.41 0.03 0.09 0.00 0.00 178.44 179.32 1i1i h ARG 520 N 0.57 1.09 0.00 1.13 2.47 -1.37 -1.83 114.38 116.45 1i1i h ARG 520 Ca 0.35 -0.13 -0.04 0.00 -1.26 0.00 0.00 59.98 58.89 1i1i h ARG 520 Cb 0.57 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 1i1i h ARG 520 CO -0.12 0.82 -0.18 0.87 0.56 0.00 0.00 179.97 181.92 1i1i h LYS 521 N 1.10 0.00 -0.02 0.04 1.57 -1.13 -3.18 116.57 114.94 1i1i h LYS 521 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1i1i h LYS 521 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1i1i h LYS 521 CO -0.04 0.18 -0.19 1.28 -0.57 0.00 0.00 179.45 180.10 1i1i n LEU 522 N -3.32 2.40 -4.18 2.94 4.77 -0.78 -4.45 117.00 114.38 1i1i n LEU 522 Ca 0.00 -0.82 -0.15 0.00 -0.03 0.00 0.00 56.01 55.01 1i1i n LEU 522 Cb 0.42 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.39 1i1i n LEU 522 CO 0.32 0.42 -0.43 -0.94 -1.33 0.00 0.00 177.39 175.43 1i1i s SER 523 N -2.21 1.55 -0.30 -1.43 1.04 -0.76 -4.09 113.70 107.50 1i1i s SER 523 Ca 0.25 -0.78 -0.16 0.00 0.48 0.00 0.00 55.95 55.74 1i1i s SER 523 Cb 0.19 -0.01 0.17 0.00 0.10 0.00 0.00 66.02 66.48 1i1i s SER 523 CO 0.42 -0.22 1.10 -0.75 0.98 0.00 0.00 173.24 174.77 1i1i s LYS 524 N -2.59 0.22 0.21 4.02 2.20 -0.09 -4.84 119.74 118.87 1i1i s LYS 524 Ca 0.04 0.45 -0.32 0.00 -0.36 0.00 0.00 55.97 55.78 1i1i s LYS 524 Cb -0.04 0.17 -0.13 0.00 -1.51 0.00 0.00 37.83 36.31 1i1i s LYS 524 CO 0.01 -0.06 1.55 1.58 -0.36 0.00 0.00 175.35 178.07 1i1i n HIS 525 N 4.11 2.40 0.04 4.03 -0.00 -0.38 -4.36 115.22 121.05 1i1i n HIS 525 Ca -0.13 0.29 0.07 0.00 -0.00 0.00 0.00 57.72 57.95 1i1i n HIS 525 Cb 0.55 -2.54 0.49 0.00 -0.00 0.00 0.00 29.99 28.49 1i1i n HIS 525 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.34 176.44 1i1i h TYR 526 N 5.32 0.38 0.00 1.57 -0.00 -1.66 -0.57 116.97 122.01 1i1i h TYR 526 Ca -0.45 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.29 1i1i h TYR 526 Cb 1.25 -0.13 0.00 0.00 -0.00 0.00 0.00 36.73 37.85 1i1i h TYR 526 CO 0.60 0.22 0.00 1.63 -0.00 0.00 0.00 178.16 180.61 1i1i n LYS 527 N -4.48 0.00 0.08 0.10 5.02 -1.26 -4.60 118.16 113.02 1i1i n LYS 527 Ca 0.04 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.46 1i1i n LYS 527 Cb 0.15 -0.24 0.45 0.00 -0.02 0.00 0.00 35.03 35.38 1i1i n LYS 527 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1i1i n ASP 528 N -0.22 0.63 -0.13 4.39 5.68 -1.26 -4.94 116.55 120.69 1i1i n ASP 528 Ca 0.00 0.57 -0.02 0.00 -0.50 0.00 0.00 54.79 54.84 1i1i n ASP 528 Cb 0.00 -0.73 -0.01 0.00 -1.14 0.00 0.00 41.12 39.24 1i1i n ASP 528 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i1i n GLY 529 N 1.22 0.52 3.79 6.12 0.00 -0.22 -4.97 105.19 111.64 1i1i n GLY 529 Ca 0.06 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 1i1i n GLY 529 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1i1i s HIS 530 N -2.04 3.03 0.90 1.61 -3.43 -1.26 -4.13 115.29 109.97 1i1i s HIS 530 Ca 0.00 1.59 -0.12 0.00 -0.80 0.00 0.00 55.06 55.73 1i1i s HIS 530 Cb 0.00 -3.15 0.13 0.00 -1.43 0.00 0.00 32.58 28.13 1i1i s HIS 530 CO 0.00 -0.93 1.11 -1.25 -2.00 0.00 0.00 174.74 171.67 1i1i s PRO 531 N -2.95 1.27 0.19 -0.38 0.04 -1.26 -1.25 135.00 130.66 1i1i s PRO 531 Ca 0.65 0.54 -0.30 0.00 0.04 0.00 0.00 61.00 61.93 1i1i s PRO 531 Cb -0.20 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 1i1i s PRO 531 CO 0.25 -2.16 1.13 0.42 0.04 0.00 0.00 177.00 176.67 1i1i s ILE 532 N -3.11 3.75 0.40 0.56 1.01 -1.26 -4.89 121.20 117.67 1i1i s ILE 532 Ca 0.63 1.52 -0.27 0.00 0.00 0.00 0.00 60.65 62.53 1i1i s ILE 532 Cb -0.16 -3.97 -0.09 0.00 0.01 0.00 0.00 42.46 38.25 1i1i s ILE 532 CO 0.55 0.26 1.41 0.42 0.00 0.00 0.00 174.94 177.58 1i1i s THR 533 N -0.25 2.25 0.39 2.92 -4.23 -1.26 -4.82 115.64 110.65 1i1i s THR 533 Ca 0.50 0.24 0.14 0.00 -1.18 0.00 0.00 61.69 61.39 1i1i s THR 533 Cb -0.30 -3.15 0.35 0.00 1.34 0.00 0.00 72.50 70.74 1i1i s THR 533 CO 0.36 0.04 1.86 0.44 -0.54 0.00 0.00 174.62 176.79 1i1i h ASP 534 N 2.73 0.50 -0.78 3.99 3.45 -1.99 0.05 116.42 124.37 1i1i h ASP 534 Ca -0.50 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 56.98 1i1i h ASP 534 Cb 1.25 -0.05 -0.04 0.00 -0.56 0.00 0.00 39.33 39.93 1i1i h ASP 534 CO 0.63 0.22 0.40 -0.08 -1.57 0.00 0.00 179.24 178.84 1i1i h GLU 535 N 0.51 1.10 -0.09 3.56 4.81 -2.00 -1.77 114.58 120.70 1i1i h GLU 535 Ca 0.45 -0.15 -0.22 0.00 -0.13 0.00 0.00 59.36 59.32 1i1i h GLU 535 Cb 0.97 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 30.15 1i1i h GLU 535 CO -0.19 0.84 -0.81 1.25 -0.73 0.00 0.00 179.01 179.37 1i1i h LEU 536 N 1.09 0.74 0.07 1.64 6.46 -1.39 -2.76 115.31 121.15 1i1i h LEU 536 Ca 0.27 -0.51 -0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1i1i h LEU 536 Cb 0.08 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.79 1i1i h LEU 536 CO -0.04 1.29 -0.03 -0.07 -0.62 0.00 0.00 178.44 178.97 1i1i h LEU 537 N 0.40 -0.08 -0.85 2.25 3.38 -1.05 0.14 115.31 119.50 1i1i h LEU 537 Ca -0.06 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1i1i h LEU 537 Cb 1.43 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 42.13 1i1i h LEU 537 CO 0.15 -0.05 0.51 -0.33 0.09 0.00 0.00 178.44 178.81 1i1i h GLU 538 N -0.09 0.86 -0.36 1.13 4.39 -1.36 -1.34 114.58 117.81 1i1i h GLU 538 Ca -0.01 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 1i1i h GLU 538 Cb 0.07 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1i1i h GLU 538 CO 0.01 0.57 0.11 -0.22 -1.16 0.00 0.00 179.01 178.33 1i1i h LYS 539 N 0.89 0.56 0.09 2.33 3.64 -1.11 -1.23 116.57 121.74 1i1i h LYS 539 Ca 0.39 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1i1i h LYS 539 Cb 0.27 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1i1i h LYS 539 CO -0.21 0.58 -0.09 1.25 -2.27 0.00 0.00 179.45 178.72 1i1i h LEU 540 N 0.43 -0.23 -0.91 5.20 5.85 -0.07 -1.60 115.31 123.99 1i1i h LEU 540 Ca 0.12 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.75 1i1i h LEU 540 Cb 0.26 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1i1i h LEU 540 CO -0.00 -0.14 -0.45 -0.37 -0.34 0.00 0.00 178.44 177.14 1i1i h VAL 541 N -0.19 1.33 0.00 1.05 -1.51 -1.28 -2.82 116.25 112.83 1i1i h VAL 541 Ca 0.01 -1.62 -0.04 0.00 -1.23 0.00 0.00 66.70 63.82 1i1i h VAL 541 Cb 0.19 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.11 1i1i h VAL 541 CO -0.03 0.48 -0.20 0.00 -1.23 0.00 0.00 177.57 176.60 1i1i h ALA 542 N 1.36 1.18 -0.01 5.19 0.00 -0.97 -2.61 119.26 123.39 1i1i h ALA 542 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1i1i h ALA 542 Cb 0.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1i1i h ALA 542 CO 0.07 0.24 0.00 -1.13 0.00 0.00 0.00 179.25 178.43 1i1i n SER 543 N -3.58 0.92 -0.24 0.00 3.41 -0.62 -4.27 113.62 109.23 1i1i n SER 543 Ca -0.01 -1.32 0.05 0.00 -0.26 0.00 0.00 58.87 57.33 1i1i n SER 543 Cb 0.34 -0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.46 1i1i n SER 543 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1i1i h ARG 544 N 1.43 0.28 -0.55 4.33 2.43 -1.51 -2.38 114.38 118.41 1i1i h ARG 544 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1i1i h ARG 544 Cb 0.30 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1i1i h ARG 544 CO 0.00 0.19 0.00 1.28 -1.51 0.00 0.00 179.97 179.93 1i1i n LEU 545 N -5.13 2.82 -4.71 3.80 4.77 -1.26 -4.92 117.00 112.37 1i1i n LEU 545 Ca 0.14 -1.42 -0.43 0.00 -0.03 0.00 0.00 56.01 54.26 1i1i n LEU 545 Cb 0.44 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1i1i n LEU 545 CO 0.14 0.53 1.29 0.52 -1.33 0.00 0.00 177.39 178.54 1i1i n VAL 546 N 0.60 0.16 -1.22 4.08 0.31 -0.90 -1.54 118.33 119.83 1i1i n VAL 546 Ca 0.15 -0.04 -0.08 0.00 -0.01 0.00 0.00 64.34 64.36 1i1i n VAL 546 Cb 0.52 -1.84 -0.03 0.00 -0.91 0.00 0.00 33.84 31.59 1i1i n VAL 546 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1i1i n ASN 547 N 3.53 -5.12 -0.04 4.52 3.02 -1.26 -4.87 115.26 115.04 1i1i n ASN 547 Ca 0.15 0.19 0.09 0.00 -0.03 0.00 0.00 54.58 54.98 1i1i n ASN 547 Cb 0.33 -3.28 0.49 0.00 -0.61 0.00 0.00 39.78 36.71 1i1i n ASN 547 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1i1i h THR 548 N 0.00 0.97 0.11 3.41 2.02 -1.63 -1.85 112.91 115.93 1i1i h THR 548 Ca -0.15 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1i1i h THR 548 Cb 0.89 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1i1i h THR 548 CO 0.23 0.08 -0.13 1.23 0.37 0.00 0.00 175.52 177.30 1i1i h GLY 549 N 0.43 -0.92 1.22 2.16 0.00 -1.86 0.25 103.07 104.35 1i1i h GLY 549 Ca 0.22 0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.91 1i1i h GLY 549 CO -0.06 -0.32 0.22 1.41 0.00 0.00 0.00 176.54 177.79 1i1i h LEU 550 N -0.24 0.91 0.10 3.11 3.38 -1.85 -0.56 115.31 120.15 1i1i h LEU 550 Ca -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1i1i h LEU 550 Cb 0.21 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1i1i h LEU 550 CO -0.03 0.84 -0.07 -0.07 0.09 0.00 0.00 178.44 179.21 1i1i h LEU 551 N 0.96 -0.17 -0.46 1.67 3.38 -1.29 0.17 115.31 119.56 1i1i h LEU 551 Ca 0.22 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1i1i h LEU 551 Cb 0.25 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1i1i h LEU 551 CO -0.01 -0.11 0.13 0.74 0.09 0.00 0.00 178.44 179.27 1i1i h THR 552 N -0.17 1.23 -0.88 0.22 2.02 -0.80 -1.94 112.91 112.59 1i1i h THR 552 Ca -0.01 -0.79 0.03 0.00 0.77 0.00 0.00 66.41 66.41 1i1i h THR 552 Cb 0.15 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 1i1i h THR 552 CO 0.00 0.28 0.58 -0.07 0.37 0.00 0.00 175.52 176.69 1i1i h LEU 553 N 0.61 0.97 -1.10 2.58 3.38 -0.94 0.44 115.31 121.25 1i1i h LEU 553 Ca 0.15 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1i1i h LEU 553 Cb 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1i1i h LEU 553 CO -0.00 0.68 -0.04 -0.09 0.09 0.00 0.00 178.44 179.08 1i1i h ARG 554 N 1.13 0.59 -0.10 1.13 2.43 -0.17 -0.18 114.38 119.22 1i1i h ARG 554 Ca 0.34 -0.15 -0.13 0.00 -0.81 0.00 0.00 59.98 59.23 1i1i h ARG 554 Cb -0.04 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1i1i h ARG 554 CO -0.09 0.64 -0.52 1.96 -1.51 0.00 0.00 179.97 180.45 1i1i h GLN 555 N 0.56 0.28 -0.30 0.20 1.08 -0.34 -2.64 115.11 113.95 1i1i h GLN 555 Ca 0.11 -0.17 -0.15 0.00 -1.45 0.00 0.00 58.65 56.99 1i1i h GLN 555 Cb 0.41 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 1i1i h GLN 555 CO 0.02 0.73 -0.43 0.82 -0.95 0.00 0.00 178.83 179.03 1i1i h ILE 556 N 0.22 1.29 0.07 2.54 2.04 -0.41 -1.31 117.51 121.95 1i1i h ILE 556 Ca 0.01 -1.61 0.01 0.00 1.00 0.00 0.00 64.86 64.27 1i1i h ILE 556 Cb 0.99 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 1i1i h ILE 556 CO 0.08 0.52 -0.14 0.58 0.00 0.00 0.00 178.15 179.20 1i1i h VAL 557 N 0.60 0.68 -0.83 1.67 2.07 -0.82 0.48 116.25 120.10 1i1i h VAL 557 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 1i1i h VAL 557 Cb 0.98 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1i1i h VAL 557 CO 0.09 0.00 0.54 -0.07 0.02 0.00 0.00 177.57 178.16 1i1i h LEU 558 N -0.26 0.95 -0.82 2.57 3.38 -1.38 -1.04 115.31 118.72 1i1i h LEU 558 Ca 0.03 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1i1i h LEU 558 Cb 0.29 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1i1i h LEU 558 CO -0.09 0.69 0.22 0.28 0.09 0.00 0.00 178.44 179.63 1i1i h SER 559 N 1.12 1.03 -0.32 -0.43 0.02 -0.61 -1.30 113.55 113.06 1i1i h SER 559 Ca 0.30 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1i1i h SER 559 Cb -0.12 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.14 1i1i h SER 559 CO -0.06 0.96 -0.17 0.11 -1.14 0.00 0.00 176.83 176.53 1i1i h LYS 560 N 1.06 0.69 -0.49 3.45 1.79 -0.17 -1.95 116.57 120.94 1i1i h LYS 560 Ca 0.23 -0.30 0.03 0.00 -2.18 0.00 0.00 60.65 58.43 1i1i h LYS 560 Cb 0.30 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.90 1i1i h LYS 560 CO -0.01 0.90 0.27 0.28 -1.08 0.00 0.00 179.45 179.81 1i1i h VAL 561 N 0.45 1.01 -0.12 0.50 2.07 -1.00 0.19 116.25 119.34 1i1i h VAL 561 Ca 0.07 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1i1i h VAL 561 Cb 0.70 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1i1i h VAL 561 CO 0.05 0.10 -0.05 -0.78 0.02 0.00 0.00 177.57 176.90 1i1i h ASP 562 N 0.53 -0.17 -0.12 0.57 3.58 -1.07 0.20 116.42 119.94 1i1i h ASP 562 Ca 0.20 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 1i1i h ASP 562 Cb 0.07 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 1i1i h ASP 562 CO -0.12 -0.07 0.04 1.56 -2.88 0.00 0.00 179.24 177.78 1i1i h GLN 563 N -0.04 0.18 -0.34 0.28 1.08 -1.02 -3.13 115.11 112.12 1i1i h GLN 563 Ca 0.06 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.30 1i1i h GLN 563 Cb 0.13 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.47 1i1i h GLN 563 CO -0.14 0.29 -0.11 1.03 -0.95 0.00 0.00 178.83 178.94 1i1i h SER 564 N 0.03 -0.40 0.20 1.46 0.87 -0.30 0.70 113.55 116.10 1i1i h SER 564 Ca 0.04 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1i1i h SER 564 Cb 0.18 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1i1i h SER 564 CO -0.00 -0.14 0.00 0.18 -0.53 0.00 0.00 176.83 176.33 1i1i n LEU 565 N -5.30 0.00 -0.07 2.23 4.77 0.03 -1.38 117.00 117.27 1i1i n LEU 565 Ca 0.01 0.47 0.01 0.00 -0.03 0.00 0.00 56.01 56.47 1i1i n LEU 565 Cb 0.21 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 1i1i n LEU 565 CO 0.17 -0.38 0.42 1.41 -1.33 0.00 0.00 177.39 177.68 1i1i n HIS 566 N -1.47 0.04 -0.03 -1.77 8.25 0.06 -4.46 115.22 115.83 1i1i n HIS 566 Ca 0.02 -0.31 -0.00 0.00 -0.26 0.00 0.00 57.72 57.17 1i1i n HIS 566 Cb 0.07 -0.03 -0.10 0.00 1.12 0.00 0.00 29.99 31.05 1i1i n HIS 566 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1i1i n THR 567 N -0.20 0.44 -1.88 1.59 -1.04 -0.17 -1.40 114.28 111.62 1i1i n THR 567 Ca 0.01 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 1i1i n THR 567 Cb 0.18 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 1i1i n THR 567 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1i1i n ASN 568 N -2.22 0.19 0.01 8.00 3.02 -0.48 -4.94 115.26 118.83 1i1i n ASN 568 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1i1i n ASN 568 Cb 0.63 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 1i1i n ASN 568 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i1i n ALA 569 N -3.00 0.00 0.94 5.41 0.00 -1.26 -4.83 120.51 117.76 1i1i n ALA 569 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1i1i n ALA 569 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1i1i n ALA 569 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1i1i n THR 570 N -2.23 0.00 -3.28 0.00 -2.24 -1.26 -4.69 114.28 100.58 1i1i n THR 570 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1i1i n THR 570 Cb 0.00 -0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 67.93 1i1i n THR 570 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1i1i s LEU 571 N -0.71 4.51 -0.44 3.22 2.96 -1.26 -5.04 118.68 121.92 1i1i s LEU 571 Ca 0.00 1.24 -0.24 0.00 -0.22 0.00 0.00 54.13 54.91 1i1i s LEU 571 Cb 0.00 -2.92 0.02 0.00 0.50 0.00 0.00 46.19 43.80 1i1i s LEU 571 CO 0.00 0.26 0.86 -0.62 -1.32 0.00 0.00 176.35 175.54 1i1i s ASP 572 N -1.15 6.49 0.18 3.68 3.68 -1.26 -4.94 116.67 123.35 1i1i s ASP 572 Ca 0.29 0.11 -0.16 0.00 2.13 0.00 0.00 52.55 54.92 1i1i s ASP 572 Cb -0.19 -2.42 0.14 0.00 -1.45 0.00 0.00 42.92 39.00 1i1i s ASP 572 CO 0.19 -0.95 1.64 0.00 0.13 0.00 0.00 175.17 176.18 1i1i h ALA 573 N 8.92 0.26 -0.07 3.66 0.00 -1.96 -1.38 119.26 128.70 1i1i h ALA 573 Ca -0.24 0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1i1i h ALA 573 Cb 1.08 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1i1i h ALA 573 CO 0.99 -0.48 -0.09 0.00 0.00 0.00 0.00 179.25 179.67 1i1i h ALA 574 N 1.40 -0.04 -0.53 0.00 0.00 -1.92 -1.36 119.26 116.81 1i1i h ALA 574 Ca 0.23 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1i1i h ALA 574 Cb 0.39 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1i1i h ALA 574 CO -0.52 -0.56 0.14 0.66 0.00 0.00 0.00 179.25 178.97 1i1i h SER 575 N -0.13 0.74 -0.65 0.00 4.64 -1.88 0.11 113.55 116.38 1i1i h SER 575 Ca 0.06 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1i1i h SER 575 Cb 0.21 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 1i1i h SER 575 CO -0.14 0.73 0.35 -0.08 -0.87 0.00 0.00 176.83 176.82 1i1i h GLU 576 N 0.78 0.90 -0.47 4.77 4.57 -0.86 0.24 114.58 124.51 1i1i h GLU 576 Ca 0.17 -0.11 -0.08 0.00 -1.18 0.00 0.00 59.36 58.17 1i1i h GLU 576 Cb 0.27 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1i1i h GLU 576 CO -0.00 0.68 -0.02 -0.92 -1.18 0.00 0.00 179.01 177.58 1i1i h TYR 577 N 0.88 0.92 -0.50 0.92 3.20 -0.77 -2.53 116.97 119.10 1i1i h TYR 577 Ca 0.23 -0.16 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1i1i h TYR 577 Cb 0.04 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 1i1i h TYR 577 CO -0.01 0.88 0.25 0.00 -1.64 0.00 0.00 178.16 177.64 1i1i h ALA 578 N 0.91 0.64 0.13 1.82 0.00 -0.49 -0.84 119.26 121.43 1i1i h ALA 578 Ca 0.13 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1i1i h ALA 578 Cb 0.53 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1i1i h ALA 578 CO 0.03 0.19 -0.50 -0.22 0.00 0.00 0.00 179.25 178.76 1i1i h LYS 579 N 0.66 -0.70 -0.34 0.00 3.64 -0.30 -2.26 116.57 117.27 1i1i h LYS 579 Ca 0.17 0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1i1i h LYS 579 Cb 0.10 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1i1i h LYS 579 CO -0.02 -0.47 -0.04 1.88 -2.27 0.00 0.00 179.45 178.53 1i1i h TYR 580 N -0.73 0.57 -0.21 1.91 0.05 -1.37 -1.61 116.97 115.58 1i1i h TYR 580 Ca 0.00 -0.07 0.04 0.00 0.05 0.00 0.00 58.73 58.75 1i1i h TYR 580 Cb 0.74 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 38.29 1i1i h TYR 580 CO -0.43 0.58 -0.02 0.00 -1.05 0.00 0.00 178.16 177.24 1i1i h THR 582 N 0.04 1.38 -0.12 0.00 1.35 -1.30 0.16 112.91 114.43 1i1i h THR 582 Ca 0.10 -2.36 -0.23 0.00 -0.55 0.00 0.00 66.41 63.37 1i1i h THR 582 Cb 0.14 2.35 0.01 0.00 -1.73 0.00 0.00 68.15 68.92 1i1i h THR 582 CO -0.19 0.71 -0.84 -0.33 -0.25 0.00 0.00 175.52 174.63 1i1i h GLU 583 N 0.27 0.76 0.00 4.72 5.08 -1.10 -3.27 114.58 121.04 1i1i h GLU 583 Ca -0.08 -0.66 -0.31 0.00 -1.00 0.00 0.00 59.36 57.31 1i1i h GLU 583 Cb 1.54 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.89 1i1i h GLU 583 CO 0.16 1.26 -2.15 -0.89 -1.00 0.00 0.00 179.01 176.39 1i1i n ILE 584 N -3.91 1.15 0.01 3.13 5.41 0.12 -4.76 119.36 120.51 1i1i n ILE 584 Ca -0.08 -0.42 -0.20 0.00 1.00 0.00 0.00 62.75 63.05 1i1i n ILE 584 Cb 0.78 -1.30 -0.14 0.00 -0.71 0.00 0.00 39.64 38.26 1i1i n ILE 584 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1i1i h LEU 585 N -0.13 0.36 0.00 1.39 5.85 -1.28 -3.49 115.31 118.02 1i1i h LEU 585 Ca -0.46 -0.88 0.00 0.00 0.84 0.00 0.00 57.88 57.38 1i1i h LEU 585 Cb 1.66 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.57 1i1i h LEU 585 CO -0.11 1.48 0.00 0.61 -0.34 0.00 0.00 178.44 180.08 1i1i n GLY 586 N 1.68 0.74 3.01 3.75 0.00 0.50 -5.01 105.19 109.87 1i1i n GLY 586 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1i1i n GLY 586 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i1i s VAL 587 N -2.26 1.83 0.57 1.61 1.01 -1.17 -4.86 120.40 117.13 1i1i s VAL 587 Ca 0.00 -1.30 -0.20 0.00 0.00 0.00 0.00 61.98 60.47 1i1i s VAL 587 Cb 0.00 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1i1i s VAL 587 CO 0.00 0.03 1.31 0.00 0.00 0.00 0.00 175.10 176.45 1i1i s ALA 588 N 1.28 2.68 0.07 5.51 0.00 -1.26 -4.20 121.76 125.85 1i1i s ALA 588 Ca -0.05 1.24 -0.26 0.00 0.00 0.00 0.00 51.96 52.89 1i1i s ALA 588 Cb -0.18 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.34 1i1i s ALA 588 CO -0.07 -1.37 0.81 0.00 0.00 0.00 0.00 175.76 175.14 1i1i s ALA 589 N -1.37 3.35 0.10 0.00 0.00 -1.26 -4.04 121.76 118.53 1i1i s ALA 589 Ca 0.75 0.36 -0.31 0.00 0.00 0.00 0.00 51.96 52.76 1i1i s ALA 589 Cb -0.38 -3.06 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 1i1i s ALA 589 CO 0.43 0.07 1.86 0.99 0.00 0.00 0.00 175.76 179.11 1i1i s THR 590 N -0.16 2.67 0.19 0.00 2.01 -1.26 -4.92 115.64 114.17 1i1i s THR 590 Ca 0.40 0.05 -0.32 0.00 0.31 0.00 0.00 61.69 62.13 1i1i s THR 590 Cb -0.21 -3.03 -0.12 0.00 0.01 0.00 0.00 72.50 69.15 1i1i s THR 590 CO 0.25 -0.00 1.75 -2.84 -0.69 0.00 0.00 174.62 173.09 1i1i s PRO 591 N 3.20 4.12 0.00 4.92 0.02 -1.26 -1.77 135.00 144.23 1i1i s PRO 591 Ca 0.83 2.62 0.00 0.00 0.02 0.00 0.00 61.00 64.47 1i1i s PRO 591 Cb -0.45 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 30.90 1i1i s PRO 591 CO 0.38 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 1i1i n GLY 592 N 4.04 3.08 3.93 0.52 0.00 -1.26 -5.08 105.19 110.43 1i1i n GLY 592 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1i1i n GLY 592 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i1i s THR 593 N -2.70 3.24 -0.42 2.61 -4.23 -0.73 -4.92 115.64 108.48 1i1i s THR 593 Ca 0.00 -0.25 0.07 0.00 -1.18 0.00 0.00 61.69 60.32 1i1i s THR 593 Cb 0.00 -3.28 0.22 0.00 1.34 0.00 0.00 72.50 70.78 1i1i s THR 593 CO 0.00 -0.26 0.56 -3.20 -0.54 0.00 0.00 174.62 171.17 1i1i n ASN 594 N -2.53 -0.88 -0.09 3.99 2.85 0.47 -4.95 115.26 114.11 1i1i n ASN 594 Ca 0.05 -2.73 -0.06 0.00 -0.11 0.00 0.00 54.58 51.73 1i1i n ASN 594 Cb 0.59 0.04 -0.00 0.00 1.24 0.00 0.00 39.78 41.64 1i1i n ASN 594 CO 0.00 0.00 0.00 -0.03 -2.11 0.00 0.00 177.26 175.12 1i1i h MET 595 N 4.53 -0.14 -1.05 1.20 1.85 -1.95 -1.21 114.93 118.16 1i1i h MET 595 Ca 0.08 0.01 0.29 0.00 -0.61 0.00 0.00 59.70 59.47 1i1i h MET 595 Cb 0.94 0.03 -0.06 0.00 0.43 0.00 0.00 31.60 32.94 1i1i h MET 595 CO 0.37 -0.10 0.73 -1.35 -0.40 0.00 0.00 176.91 176.16 1i1i h PRO 596 N -0.15 0.14 0.00 0.39 0.11 -1.94 0.96 132.00 131.51 1i1i h PRO 596 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1i1i h PRO 596 Cb 0.41 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1i1i h PRO 596 CO -0.43 0.09 0.00 0.00 -0.21 0.00 0.00 178.00 177.45 1i1i n ALA 597 N -2.65 2.22 0.07 -0.75 0.00 -0.46 -1.92 120.51 117.01 1i1i n ALA 597 Ca 0.23 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.56 1i1i n ALA 597 Cb 1.03 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 19.12 1i1i n ALA 597 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1i1i n THR 598 N -1.20 0.11 -2.45 0.00 -2.24 0.32 -4.79 114.28 104.04 1i1i n THR 598 Ca 0.13 -0.56 -0.39 0.00 -2.27 0.00 0.00 64.05 60.96 1i1i n THR 598 Cb 0.15 0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 69.34 1i1i n THR 598 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1i1i s PHE 599 N -0.25 2.49 0.58 4.78 5.99 -0.72 -4.84 117.98 126.01 1i1i s PHE 599 Ca 0.02 -0.87 0.30 0.00 0.00 0.00 0.00 56.93 56.39 1i1i s PHE 599 Cb 0.02 -4.56 1.41 0.00 0.00 0.00 0.00 43.02 39.88 1i1i s PHE 599 CO 0.02 -1.75 1.79 0.78 -0.00 0.00 0.00 175.22 176.06 1i1i h GLY 600 N 13.91 0.00 1.15 13.12 0.00 -1.91 -1.76 103.07 127.58 1i1i h GLY 600 Ca 0.31 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.69 1i1i h GLY 600 CO 1.39 0.00 0.43 0.84 0.00 0.00 0.00 176.54 179.20 1i1i h HIS 601 N 0.00 0.68 0.53 5.60 6.17 -1.89 -3.29 115.15 122.96 1i1i h HIS 601 Ca 0.33 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.40 1i1i h HIS 601 Cb 1.68 -0.23 0.01 0.00 2.52 0.00 0.00 27.41 31.39 1i1i h HIS 601 CO 0.00 0.37 -0.26 -0.07 0.71 0.00 0.00 177.93 178.68 1i1i h LEU 602 N 0.68 -0.61 0.00 0.26 3.38 -1.68 -3.33 115.31 114.02 1i1i h LEU 602 Ca 0.28 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1i1i h LEU 602 Cb 0.23 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1i1i h LEU 602 CO -0.09 -0.43 0.00 0.00 0.09 0.00 0.00 178.44 178.02 1i1i n ALA 603 N -2.37 0.00 -1.79 1.53 0.00 -1.24 -4.41 120.51 112.23 1i1i n ALA 603 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 1i1i n ALA 603 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.70 1i1i n ALA 603 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1i1i s GLY 604 N 0.00 2.26 0.00 0.00 0.00 -1.26 -4.75 107.32 103.57 1i1i s GLY 604 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.10 1i1i s GLY 604 CO 0.00 0.68 0.00 0.61 0.00 0.00 0.00 173.10 174.39 1i1i n GLY 605 N -0.92 0.46 2.58 0.20 0.00 -1.26 -4.54 105.19 101.72 1i1i n GLY 605 Ca 0.08 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 1i1i n GLY 605 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1i1i n TYR 606 N 0.00 3.32 -2.00 1.61 4.11 -1.26 -5.07 117.16 117.88 1i1i n TYR 606 Ca 0.00 -3.78 -0.39 0.00 -0.00 0.00 0.00 57.90 53.73 1i1i n TYR 606 Cb 0.00 -0.74 0.00 0.00 -0.00 0.00 0.00 39.34 38.60 1i1i n TYR 606 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.86 177.02 1i1i s ASP 607 N -2.27 6.15 0.00 9.48 -4.77 -1.25 -2.32 116.67 121.70 1i1i s ASP 607 Ca 0.37 2.70 0.00 0.00 -3.30 0.00 0.00 52.55 52.32 1i1i s ASP 607 Cb 0.12 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 39.31 1i1i s ASP 607 CO 0.01 -0.96 0.00 0.61 0.70 0.00 0.00 175.17 175.53 1i1i n GLY 608 N 0.64 0.80 0.00 2.12 0.00 -1.26 -4.87 105.19 102.62 1i1i n GLY 608 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1i1i n GLY 608 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i1i n GLN 609 N -2.30 1.54 -0.09 1.61 6.02 -0.98 -4.77 117.38 118.41 1i1i n GLN 609 Ca 0.00 -1.03 0.23 0.00 -0.01 0.00 0.00 57.00 56.19 1i1i n GLN 609 Cb 0.00 -0.85 0.68 0.00 1.02 0.00 0.00 30.24 31.09 1i1i n GLN 609 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1i1i h TYR 610 N 0.00 0.06 0.00 1.08 3.20 -1.90 0.23 116.97 119.64 1i1i h TYR 610 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1i1i h TYR 610 Cb 0.54 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.80 1i1i h TYR 610 CO 0.00 0.02 0.00 0.10 -1.64 0.00 0.00 178.16 176.64 1i1i h TYR 611 N 0.04 0.00 -1.01 -3.82 -0.00 -1.87 -3.26 116.97 107.05 1i1i h TYR 611 Ca 0.33 0.00 0.24 0.00 0.00 0.00 0.00 58.73 59.30 1i1i h TYR 611 Cb 1.27 0.00 -0.12 0.00 0.00 0.00 0.00 36.73 37.88 1i1i h TYR 611 CO -0.00 0.00 0.61 0.78 -0.00 0.00 0.00 178.16 179.55 1i1i h GLY 612 N 1.23 1.76 0.87 0.10 0.00 -0.89 -0.29 103.07 105.85 1i1i h GLY 612 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1i1i h GLY 612 CO 0.00 -0.19 0.03 -1.82 0.00 0.00 0.00 176.54 174.56 1i1i h TYR 613 N 0.59 0.50 -0.23 5.60 3.20 -1.78 -0.33 116.97 124.51 1i1i h TYR 613 Ca 0.62 -0.08 -0.12 0.00 3.14 0.00 0.00 58.73 62.30 1i1i h TYR 613 Cb 1.20 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 1i1i h TYR 613 CO -0.01 0.58 -0.36 1.25 -1.64 0.00 0.00 178.16 177.99 1i1i h LEU 614 N 0.27 0.53 -0.68 2.82 5.85 -1.67 -2.15 115.31 120.28 1i1i h LEU 614 Ca 0.08 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1i1i h LEU 614 Cb 0.37 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1i1i h LEU 614 CO 0.01 0.85 0.27 -0.25 -0.34 0.00 0.00 178.44 178.98 1i1i h TRP 615 N 0.43 1.03 -0.33 1.25 2.91 -0.85 -2.65 115.95 117.74 1i1i h TRP 615 Ca 0.04 -0.08 -0.11 0.00 1.13 0.00 0.00 58.89 59.87 1i1i h TRP 615 Cb 0.83 -0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 29.16 1i1i h TRP 615 CO 0.03 0.80 -0.27 0.77 -1.03 0.00 0.00 178.44 178.74 1i1i h SER 616 N 0.96 0.68 -0.74 2.65 0.02 -0.85 -3.08 113.55 113.20 1i1i h SER 616 Ca 0.23 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1i1i h SER 616 Cb 0.20 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1i1i h SER 616 CO -0.02 0.92 0.42 -0.08 -1.14 0.00 0.00 176.83 176.93 1i1i h GLU 617 N 0.58 1.03 -0.29 3.45 4.81 -1.05 -0.30 114.58 122.81 1i1i h GLU 617 Ca 0.08 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1i1i h GLU 617 Cb 0.75 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 1i1i h GLU 617 CO 0.06 0.74 0.12 0.28 -0.73 0.00 0.00 179.01 179.48 1i1i h VAL 618 N 1.04 0.95 0.08 0.32 2.07 -1.41 -0.12 116.25 119.18 1i1i h VAL 618 Ca 0.27 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 1i1i h VAL 618 Cb 0.00 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1i1i h VAL 618 CO -0.05 0.05 -0.04 -0.26 0.02 0.00 0.00 177.57 177.29 1i1i h PHE 619 N 0.26 -0.10 -0.75 1.57 0.05 -1.43 -1.59 116.94 114.94 1i1i h PHE 619 Ca 0.13 -0.00 0.05 0.00 3.82 0.00 0.00 57.97 61.97 1i1i h PHE 619 Cb 0.07 0.03 -0.06 0.00 2.00 0.00 0.00 35.95 38.00 1i1i h PHE 619 CO -0.12 0.20 0.45 0.66 -0.18 0.00 0.00 178.31 179.33 1i1i h SER 620 N -0.41 0.71 -0.67 2.17 4.64 -0.99 -0.55 113.55 118.45 1i1i h SER 620 Ca -0.01 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1i1i h SER 620 Cb 0.35 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 1i1i h SER 620 CO 0.02 0.46 0.38 -0.03 -0.87 0.00 0.00 176.83 176.79 1i1i h MET 621 N 0.84 0.93 -0.34 4.77 -1.53 -0.94 -0.03 114.93 118.63 1i1i h MET 621 Ca 0.33 -0.09 -0.04 0.00 -3.44 0.00 0.00 59.70 56.45 1i1i h MET 621 Cb 0.15 -0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 30.99 1i1i h MET 621 CO -0.16 0.68 0.05 0.22 0.14 0.00 0.00 176.91 177.83 1i1i h ASP 622 N 0.95 0.55 -0.24 1.39 -0.00 -0.10 -2.21 116.42 116.75 1i1i h ASP 622 Ca 0.24 -0.27 -0.03 0.00 -0.00 0.00 0.00 57.03 56.97 1i1i h ASP 622 Cb 0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 39.18 1i1i h ASP 622 CO -0.04 0.68 0.03 0.24 -0.00 0.00 0.00 179.24 180.15 1i1i h MET 623 N 0.40 0.41 -0.04 0.28 2.86 -0.80 -1.16 114.93 116.89 1i1i h MET 623 Ca 0.10 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1i1i h MET 623 Cb 0.37 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1i1i h MET 623 CO 0.01 0.55 -0.01 0.35 1.06 0.00 0.00 176.91 178.87 1i1i h PHE 624 N 0.20 -0.02 0.03 -0.22 3.57 -0.99 -0.65 116.94 118.87 1i1i h PHE 624 Ca 0.07 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1i1i h PHE 624 Cb 0.35 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1i1i h PHE 624 CO 0.02 -0.02 -0.02 0.45 -2.23 0.00 0.00 178.31 176.52 1i1i h HIS 625 N -0.00 -0.04 0.00 0.41 3.86 -1.44 0.13 115.15 118.07 1i1i h HIS 625 Ca 0.02 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 1i1i h HIS 625 Cb 0.03 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 1i1i h HIS 625 CO -0.10 0.62 -0.24 0.77 0.86 0.00 0.00 177.93 179.83 1i1i h SER 626 N -0.78 0.00 0.00 2.45 0.02 -1.29 -3.08 113.55 110.88 1i1i h SER 626 Ca -0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1i1i h SER 626 Cb 0.68 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1i1i h SER 626 CO 0.01 0.24 -0.84 0.00 -1.14 0.00 0.00 176.83 175.11 1i1i h PHE 628 N -0.24 0.89 -0.25 0.00 -1.00 -1.29 -2.16 116.94 112.89 1i1i h PHE 628 Ca -0.09 -0.36 -0.15 0.00 2.81 0.00 0.00 57.97 60.18 1i1i h PHE 628 Cb 0.72 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.12 1i1i h PHE 628 CO -0.06 1.16 -0.46 -0.22 -1.61 0.00 0.00 178.31 177.12 1i1i h LYS 629 N 0.50 0.64 0.02 1.51 1.63 -0.79 0.27 116.57 120.35 1i1i h LYS 629 Ca -0.02 -0.36 -0.00 0.00 -0.85 0.00 0.00 60.65 59.42 1i1i h LYS 629 Cb 1.26 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1i1i h LYS 629 CO 0.13 0.96 -0.01 -0.22 -3.45 0.00 0.00 179.45 176.86 1i1i h LYS 630 N 0.51 -0.03 -0.00 1.90 3.64 -1.52 -3.27 116.57 117.80 1i1i h LYS 630 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1i1i h LYS 630 Cb 0.99 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1i1i h LYS 630 CO 0.09 0.17 -0.41 0.39 -2.27 0.00 0.00 179.45 177.42 1i1i n GLU 631 N -5.01 0.42 0.00 1.90 -0.58 -0.82 -5.03 120.64 111.52 1i1i n GLU 631 Ca -0.08 -0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.41 1i1i n GLU 631 Cb 0.13 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 1i1i n GLU 631 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i1i n GLY 632 N 1.42 1.39 0.00 0.62 0.00 0.79 -4.61 105.19 104.80 1i1i n GLY 632 Ca 0.09 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1i1i n GLY 632 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1i1i n ILE 633 N 2.53 1.10 -0.01 -0.61 -5.35 -0.16 -0.59 119.36 116.27 1i1i n ILE 633 Ca 0.00 0.29 0.02 0.00 -0.27 0.00 0.00 62.75 62.79 1i1i n ILE 633 Cb 0.00 -1.29 0.05 0.00 -1.74 0.00 0.00 39.64 36.66 1i1i n ILE 633 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 1i1i n MET 634 N -1.27 2.21 -1.69 6.28 2.81 -1.26 -5.00 117.12 119.21 1i1i n MET 634 Ca 0.00 -1.49 -0.42 0.00 -1.81 0.00 0.00 57.70 53.98 1i1i n MET 634 Cb 0.01 -1.09 -0.03 0.00 -0.71 0.00 0.00 33.22 31.40 1i1i n MET 634 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1i1i s ASN 635 N -0.85 6.22 0.41 7.83 3.84 0.25 -4.77 114.94 127.85 1i1i s ASN 635 Ca 0.08 2.43 0.09 0.00 0.21 0.00 0.00 52.86 55.67 1i1i s ASN 635 Cb 0.04 -2.53 0.90 0.00 -0.55 0.00 0.00 41.25 39.11 1i1i s ASN 635 CO 0.06 -1.27 2.01 1.55 -2.79 0.00 0.00 177.10 176.65 1i1i h PRO 636 N 11.62 0.53 0.20 0.43 0.13 -1.86 -2.02 132.00 141.03 1i1i h PRO 636 Ca -0.47 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1i1i h PRO 636 Cb 1.23 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1i1i h PRO 636 CO 0.95 0.35 -0.10 0.93 -0.23 0.00 0.00 178.00 179.90 1i1i h GLU 637 N 0.55 -0.27 -0.45 0.86 3.07 -1.91 -0.69 114.58 115.74 1i1i h GLU 637 Ca 0.23 0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 59.02 1i1i h GLU 637 Cb 0.23 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 1i1i h GLU 637 CO -0.06 -0.18 -0.10 0.28 -1.40 0.00 0.00 179.01 177.55 1i1i h VAL 638 N -0.28 1.26 -0.32 3.13 2.07 -1.90 -2.44 116.25 117.77 1i1i h VAL 638 Ca -0.03 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.36 1i1i h VAL 638 Cb 0.22 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1i1i h VAL 638 CO 0.04 0.40 0.10 1.23 0.02 0.00 0.00 177.57 179.36 1i1i h GLY 639 N 0.97 0.39 1.33 2.17 0.00 -1.10 -1.42 103.07 105.42 1i1i h GLY 639 Ca 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 1i1i h GLY 639 CO 0.04 0.02 0.12 1.98 0.00 0.00 0.00 176.54 178.69 1i1i h MET 640 N 0.23 0.84 -0.45 4.80 -1.53 -0.91 -1.99 114.93 115.91 1i1i h MET 640 Ca 0.15 -0.18 -0.08 0.00 -3.44 0.00 0.00 59.70 56.15 1i1i h MET 640 Cb 0.13 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 31.04 1i1i h MET 640 CO -0.16 0.77 -0.05 0.87 0.14 0.00 0.00 176.91 178.48 1i1i h LYS 641 N 0.81 0.78 -0.18 0.39 1.57 -1.00 0.10 116.57 119.04 1i1i h LYS 641 Ca 0.17 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1i1i h LYS 641 Cb 0.32 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1i1i h LYS 641 CO 0.00 0.82 0.05 -0.92 -0.57 0.00 0.00 179.45 178.82 1i1i h TYR 642 N 0.72 0.30 -0.08 -1.35 3.20 -0.92 0.24 116.97 119.07 1i1i h TYR 642 Ca 0.13 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1i1i h TYR 642 Cb 0.51 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 1i1i h TYR 642 CO 0.03 0.41 0.04 -0.09 -1.64 0.00 0.00 178.16 176.90 1i1i h ARG 643 N 0.10 0.11 -0.28 1.82 2.43 -1.16 0.40 114.38 117.80 1i1i h ARG 643 Ca 0.06 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.05 1i1i h ARG 643 Cb 0.26 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1i1i h ARG 643 CO 0.00 0.20 -0.47 -0.91 -1.51 0.00 0.00 179.97 177.28 1i1i h ASN 644 N -0.00 0.81 0.35 -3.80 2.35 -0.71 0.54 115.58 115.12 1i1i h ASN 644 Ca 0.03 -0.40 -0.29 0.00 -0.55 0.00 0.00 56.30 55.08 1i1i h ASN 644 Cb 0.13 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.21 1i1i h ASN 644 CO -0.00 1.15 -1.90 0.18 -1.65 0.00 0.00 177.43 175.21 1i1i n LEU 645 N -4.01 0.57 -0.10 1.61 4.77 0.83 -4.17 117.00 116.49 1i1i n LEU 645 Ca -0.03 0.27 -0.14 0.00 -0.03 0.00 0.00 56.01 56.08 1i1i n LEU 645 Cb 0.57 0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 41.83 1i1i n LEU 645 CO 0.48 0.38 -1.15 -0.38 -1.33 0.00 0.00 177.39 175.39 1i1i n ILE 646 N -2.91 1.15 -0.09 -0.08 2.08 0.09 -4.74 119.36 114.86 1i1i n ILE 646 Ca -0.21 -0.44 -0.14 0.00 0.56 0.00 0.00 62.75 62.52 1i1i n ILE 646 Cb 1.05 -1.19 -0.06 0.00 -0.75 0.00 0.00 39.64 38.68 1i1i n ILE 646 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1i1i n LEU 647 N -3.07 1.85 -0.27 1.39 4.77 -0.94 -4.54 117.00 116.18 1i1i n LEU 647 Ca -0.35 0.51 0.09 0.00 -0.03 0.00 0.00 56.01 56.23 1i1i n LEU 647 Cb 0.88 -0.90 0.23 0.00 -2.33 0.00 0.00 43.42 41.30 1i1i n LEU 647 CO 0.20 -0.08 0.94 0.50 -1.33 0.00 0.00 177.39 177.63 1i1i h LYS 648 N -1.00 0.25 0.00 3.23 3.64 -0.03 -1.05 116.57 121.60 1i1i h LYS 648 Ca -0.19 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1i1i h LYS 648 Cb 0.95 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1i1i h LYS 648 CO -0.12 0.16 0.00 -0.35 -2.27 0.00 0.00 179.45 176.87 1i1i n PRO 649 N -5.18 0.23 0.00 1.90 -0.04 -1.26 0.25 135.00 130.91 1i1i n PRO 649 Ca 0.17 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1i1i n PRO 649 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1i1i n PRO 649 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i1i n GLY 650 N 0.25 2.89 1.78 0.55 0.00 -0.40 -1.20 105.19 109.06 1i1i n GLY 650 Ca 0.08 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1i1i n GLY 650 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i1i n GLY 651 N 0.00 2.86 0.00 -0.02 0.00 0.19 -4.38 105.19 103.84 1i1i n GLY 651 Ca 0.00 -0.87 0.15 0.00 0.00 0.00 0.00 46.02 45.30 1i1i n GLY 651 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i1i n SER 652 N 0.71 0.00 -4.03 1.61 3.41 -0.34 -4.78 113.62 110.21 1i1i n SER 652 Ca 0.26 -0.66 -0.08 0.00 -0.26 0.00 0.00 58.87 58.13 1i1i n SER 652 Cb 1.10 -0.10 -0.11 0.00 -0.26 0.00 0.00 64.21 64.84 1i1i n SER 652 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1i1i s LEU 653 N -2.21 2.34 0.52 1.04 1.43 -1.26 -4.86 118.68 115.69 1i1i s LEU 653 Ca 0.40 -0.71 -0.20 0.00 -1.03 0.00 0.00 54.13 52.59 1i1i s LEU 653 Cb 0.21 0.13 -0.06 0.00 0.03 0.00 0.00 46.19 46.50 1i1i s LEU 653 CO 0.39 -0.42 1.15 -1.81 0.23 0.00 0.00 176.35 175.88 1i1i s ASP 654 N -2.06 5.82 0.18 2.29 1.01 -1.26 -4.90 116.67 117.74 1i1i s ASP 654 Ca -0.06 2.23 -0.14 0.00 0.71 0.00 0.00 52.55 55.28 1i1i s ASP 654 Cb -0.03 -2.59 0.15 0.00 1.01 0.00 0.00 42.92 41.46 1i1i s ASP 654 CO -0.05 -1.16 1.73 1.23 0.21 0.00 0.00 175.17 177.13 1i1i h GLY 655 N 1.42 0.55 1.34 0.21 0.00 -1.97 -2.21 103.07 102.41 1i1i h GLY 655 Ca -0.50 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 1i1i h GLY 655 CO 0.58 -0.04 0.24 -0.33 0.00 0.00 0.00 176.54 176.99 1i1i h MET 656 N 0.25 0.85 -0.50 4.80 2.86 -1.93 -1.25 114.93 120.01 1i1i h MET 656 Ca 0.22 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1i1i h MET 656 Cb 0.27 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1i1i h MET 656 CO -0.28 0.70 0.12 -0.44 1.06 0.00 0.00 176.91 178.07 1i1i h ASP 657 N 0.84 0.76 -0.62 1.22 3.32 -1.80 0.16 116.42 120.30 1i1i h ASP 657 Ca 0.20 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1i1i h ASP 657 Cb 0.16 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1i1i h ASP 657 CO -0.02 0.80 0.10 0.24 -1.72 0.00 0.00 179.24 178.64 1i1i h MET 658 N 0.69 1.03 -0.15 3.56 2.86 -1.07 0.41 114.93 122.27 1i1i h MET 658 Ca 0.16 -0.28 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1i1i h MET 658 Cb 0.33 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1i1i h MET 658 CO 0.00 0.96 0.07 -0.07 1.06 0.00 0.00 176.91 178.93 1i1i h LEU 659 N 0.94 0.11 -0.48 1.22 3.38 -0.91 -0.83 115.31 118.74 1i1i h LEU 659 Ca 0.19 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.21 1i1i h LEU 659 Cb 0.43 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1i1i h LEU 659 CO 0.01 0.09 0.22 1.56 0.09 0.00 0.00 178.44 180.41 1i1i h GLN 660 N 0.16 0.43 -0.75 1.13 4.20 -0.69 0.31 115.11 119.90 1i1i h GLN 660 Ca 0.06 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.82 1i1i h GLN 660 Cb 0.01 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 27.63 1i1i h GLN 660 CO -0.04 0.28 0.41 -0.91 -0.67 0.00 0.00 178.83 177.90 1i1i h ASN 661 N 0.44 0.59 -0.01 1.46 -0.26 -0.40 1.07 115.58 118.47 1i1i h ASN 661 Ca 0.21 0.04 -0.11 0.00 -0.56 0.00 0.00 56.30 55.89 1i1i h ASN 661 Cb 0.15 -0.07 0.01 0.00 -1.06 0.00 0.00 38.32 37.35 1i1i h ASN 661 CO -0.17 0.35 -0.43 0.15 -1.06 0.00 0.00 177.43 176.28 1i1i h PHE 662 N 0.72 0.44 0.01 1.19 3.57 -0.47 -3.34 116.94 119.06 1i1i h PHE 662 Ca 0.35 -0.24 -0.22 0.00 3.53 0.00 0.00 57.97 61.40 1i1i h PHE 662 Cb 0.29 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1i1i h PHE 662 CO -0.08 1.04 -0.94 -0.07 -2.23 0.00 0.00 178.31 176.04 1i1i h LEU 663 N -0.29 0.43 0.00 0.59 3.38 -0.25 -3.47 115.31 115.70 1i1i h LEU 663 Ca -0.05 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1i1i h LEU 663 Cb 1.16 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1i1i h LEU 663 CO 0.08 1.16 0.00 0.00 0.09 0.00 0.00 178.44 179.77 1i1i n GLN 664 N -3.70 0.00 -3.68 1.13 6.02 0.37 -4.99 117.38 112.53 1i1i n GLN 664 Ca -0.06 0.46 -0.04 0.00 -0.01 0.00 0.00 57.00 57.35 1i1i n GLN 664 Cb 0.84 -3.90 -0.01 0.00 1.02 0.00 0.00 30.24 28.18 1i1i n GLN 664 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1i1i s ARG 665 N -2.11 1.01 0.46 -1.09 1.70 -1.22 -5.05 118.95 112.65 1i1i s ARG 665 Ca 0.00 -0.52 -0.23 0.00 -0.47 0.00 0.00 55.73 54.51 1i1i s ARG 665 Cb 0.00 0.37 -0.07 0.00 -0.57 0.00 0.00 34.95 34.67 1i1i s ARG 665 CO 0.00 -0.46 1.17 -1.21 -1.08 0.00 0.00 175.30 173.72 1i1i s GLU 666 N -3.14 3.77 0.93 3.89 0.41 -1.26 -4.23 118.70 119.06 1i1i s GLU 666 Ca 0.11 1.78 -0.12 0.00 -0.41 0.00 0.00 54.97 56.33 1i1i s GLU 666 Cb -0.01 -2.42 0.15 0.00 -1.78 0.00 0.00 34.13 30.07 1i1i s GLU 666 CO -0.01 -0.54 1.09 -2.14 -0.49 0.00 0.00 175.26 173.17 1i1i s PRO 667 N -2.67 1.01 0.32 0.39 0.02 -1.26 -5.03 135.00 127.78 1i1i s PRO 667 Ca 0.63 0.71 -0.17 0.00 0.02 0.00 0.00 61.00 62.19 1i1i s PRO 667 Cb -0.29 -1.79 0.03 0.00 0.02 0.00 0.00 34.50 32.47 1i1i s PRO 667 CO 0.35 -2.38 0.70 0.54 -0.33 0.00 0.00 177.00 175.88 1i1i s ASN 668 N -3.46 -0.07 -0.02 2.53 2.20 -1.26 -5.07 114.94 109.79 1i1i s ASN 668 Ca 0.64 -0.89 0.19 0.00 -0.94 0.00 0.00 52.86 51.86 1i1i s ASN 668 Cb -0.18 0.75 0.60 0.00 -2.00 0.00 0.00 41.25 40.42 1i1i s ASN 668 CO 0.57 -1.44 1.50 0.00 -2.94 0.00 0.00 177.10 174.78 1i1i n GLN 669 N -0.48 2.72 -0.06 3.55 10.64 -1.26 -4.58 117.38 127.90 1i1i n GLN 669 Ca -0.05 -2.41 -0.11 0.00 -1.83 0.00 0.00 57.00 52.60 1i1i n GLN 669 Cb 0.60 -1.58 -0.06 0.00 -0.86 0.00 0.00 30.24 28.34 1i1i n GLN 669 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 1i1i h LYS 670 N 3.81 -0.40 -0.32 2.61 1.79 -1.97 0.19 116.57 122.28 1i1i h LYS 670 Ca 0.00 0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.55 1i1i h LYS 670 Cb 0.98 0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 31.67 1i1i h LYS 670 CO 0.05 -0.27 0.02 0.00 -1.08 0.00 0.00 179.45 178.17 1i1i h ALA 671 N 0.24 0.30 -0.75 3.86 0.00 -1.89 0.47 119.26 121.49 1i1i h ALA 671 Ca 0.10 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1i1i h ALA 671 Cb 0.61 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1i1i h ALA 671 CO -0.49 -0.39 0.50 0.35 0.00 0.00 0.00 179.25 179.22 1i1i h PHE 672 N 0.11 0.89 0.13 0.00 3.57 -1.63 -0.39 116.94 119.63 1i1i h PHE 672 Ca 0.15 0.02 -0.30 0.00 3.53 0.00 0.00 57.97 61.37 1i1i h PHE 672 Cb 0.20 -0.30 0.03 0.00 2.79 0.00 0.00 35.95 38.67 1i1i h PHE 672 CO -0.22 0.52 -1.26 -0.07 -2.23 0.00 0.00 178.31 175.05 1i1i h LEU 673 N 0.92 0.88 -0.34 0.59 3.38 -0.22 -3.02 115.31 117.50 1i1i h LEU 673 Ca 0.30 -0.82 0.01 0.00 0.09 0.00 0.00 57.88 57.46 1i1i h LEU 673 Cb 0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1i1i h LEU 673 CO -0.09 1.62 0.21 0.24 0.09 0.00 0.00 178.44 180.52 1i1i h MET 674 N 0.27 0.42 0.66 1.13 2.86 0.36 -1.63 114.93 119.00 1i1i h MET 674 Ca -0.19 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.40 1i1i h MET 674 Cb 1.93 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 33.49 1i1i h MET 674 CO 0.24 0.28 -0.43 0.66 1.06 0.00 0.00 176.91 178.72 1i1i h SER 675 N 0.43 -1.09 -0.88 1.22 4.64 -1.18 -1.75 113.55 114.95 1i1i h SER 675 Ca 0.13 0.06 0.25 0.00 -0.47 0.00 0.00 61.79 61.77 1i1i h SER 675 Cb -0.03 0.32 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 1i1i h SER 675 CO -0.04 -0.65 0.80 0.03 -0.87 0.00 0.00 176.83 176.09 1i1i h ARG 676 N -1.03 0.00 -1.75 4.77 -0.00 -1.39 -3.45 114.38 111.53 1i1i h ARG 676 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.40 1i1i h ARG 676 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.81 1i1i h ARG 676 CO 0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.97 180.45 1i1i n GLY 677 N -1.65 0.59 0.00 0.04 0.00 -0.66 -5.04 105.19 98.47 1i1i n GLY 677 Ca 0.19 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1i1i n GLY 677 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36