#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1j s ILE 55 N 0.00 3.35 0.17 -0.61 -1.09 -1.26 -2.89 121.20 118.87 1r1j s ILE 55 Ca 0.00 0.80 -0.33 0.00 -2.23 0.00 0.00 60.65 58.89 1r1j s ILE 55 Cb 0.00 -3.52 -0.13 0.00 -1.58 0.00 0.00 42.46 37.23 1r1j s ILE 55 CO 0.00 0.01 1.66 0.00 -1.23 0.00 0.00 174.94 175.38 1r1j n LYS 57 N 3.86 1.12 -2.36 0.00 2.85 -1.26 -4.17 118.16 118.20 1r1j n LYS 57 Ca 0.17 -2.42 -0.36 0.00 -1.05 0.00 0.00 58.31 54.65 1r1j n LYS 57 Cb 0.32 -1.35 -0.02 0.00 -0.65 0.00 0.00 35.03 33.33 1r1j n LYS 57 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1r1j s SER 58 N -2.65 6.14 0.35 -5.58 1.04 -1.26 -4.85 113.70 106.89 1r1j s SER 58 Ca 0.28 2.15 0.05 0.00 0.48 0.00 0.00 55.95 58.92 1r1j s SER 58 Cb 0.25 -2.58 0.71 0.00 0.10 0.00 0.00 66.02 64.50 1r1j s SER 58 CO 0.01 -0.93 1.93 -1.28 0.98 0.00 0.00 173.24 173.96 1r1j h SER 59 N 1.74 0.71 0.65 7.02 0.87 -1.99 0.55 113.55 123.11 1r1j h SER 59 Ca -0.49 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.03 1r1j h SER 59 Cb 1.24 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1r1j h SER 59 CO 0.59 0.44 -0.21 0.44 -0.53 0.00 0.00 176.83 177.57 1r1j h ASP 60 N 0.80 0.00 0.01 6.23 3.32 -1.91 -1.62 116.42 123.26 1r1j h ASP 60 Ca 0.35 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.19 1r1j h ASP 60 Cb 0.33 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.90 1r1j h ASP 60 CO -0.13 0.21 -0.83 0.00 -1.72 0.00 0.00 179.24 176.77 1r1j h ILE 62 N 0.11 0.00 0.44 0.00 -0.00 -1.06 -1.83 117.51 115.16 1r1j h ILE 62 Ca -0.11 -0.54 -0.02 0.00 -0.00 0.00 0.00 64.86 64.19 1r1j h ILE 62 Cb 1.52 1.51 0.00 0.00 -0.00 0.00 0.00 36.82 39.85 1r1j h ILE 62 CO 0.16 0.00 -0.21 0.11 -0.00 0.00 0.00 178.15 178.21 1r1j h LYS 63 N 0.00 -0.57 -0.26 0.16 1.57 -1.33 -1.91 116.57 114.22 1r1j h LYS 63 Ca 0.00 0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.63 1r1j h LYS 63 Cb 0.77 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1r1j h LYS 63 CO 0.00 -0.28 -0.59 0.66 -0.57 0.00 0.00 179.45 178.67 1r1j h SER 64 N -0.85 0.98 -0.59 0.86 4.64 -1.50 -2.41 113.55 114.68 1r1j h SER 64 Ca -0.06 -0.55 0.10 0.00 -0.47 0.00 0.00 61.79 60.81 1r1j h SER 64 Cb 0.56 -0.28 -0.08 0.00 -0.31 0.00 0.00 62.40 62.29 1r1j h SER 64 CO 0.10 1.35 0.16 0.00 -0.87 0.00 0.00 176.83 177.57 1r1j h ALA 65 N 0.65 0.73 -0.74 5.18 0.00 -1.45 0.21 119.26 123.84 1r1j h ALA 65 Ca 0.00 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1r1j h ALA 65 Cb 1.21 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 1r1j h ALA 65 CO 0.13 -0.27 0.37 0.00 0.00 0.00 0.00 179.25 179.48 1r1j h ALA 66 N 1.45 1.04 -0.17 0.00 0.00 -1.01 0.18 119.26 120.75 1r1j h ALA 66 Ca 0.31 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 1r1j h ALA 66 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1r1j h ALA 66 CO -0.36 -0.04 -0.37 -0.09 0.00 0.00 0.00 179.25 178.39 1r1j h ARG 67 N 0.62 0.55 0.02 0.00 1.12 -0.76 -2.08 114.38 113.84 1r1j h ARG 67 Ca 0.37 -0.36 0.01 0.00 -1.11 0.00 0.00 59.98 58.89 1r1j h ARG 67 Cb 0.41 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.41 1r1j h ARG 67 CO -0.28 0.98 -0.06 -0.07 -3.11 0.00 0.00 179.97 177.42 1r1j h LEU 68 N 0.19 -0.16 -0.24 3.80 3.38 -0.17 -2.36 115.31 119.74 1r1j h LEU 68 Ca 0.00 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1r1j h LEU 68 Cb 0.97 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 1r1j h LEU 68 CO 0.08 -0.09 -0.09 0.40 0.09 0.00 0.00 178.44 178.83 1r1j h ILE 69 N -0.12 0.69 0.00 1.22 2.04 -0.63 -2.49 117.51 118.23 1r1j h ILE 69 Ca 0.02 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.79 1r1j h ILE 69 Cb 0.13 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1r1j h ILE 69 CO -0.04 0.00 -0.42 1.56 0.00 0.00 0.00 178.15 179.25 1r1j h GLN 70 N -0.05 0.00 0.03 2.37 4.20 -1.30 -3.08 115.11 117.29 1r1j h GLN 70 Ca 0.12 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.60 1r1j h GLN 70 Cb 0.23 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1r1j h GLN 70 CO -0.27 0.42 -1.13 -0.91 -0.67 0.00 0.00 178.83 176.26 1r1j h ASN 71 N 0.00 0.11 -3.38 1.46 2.35 -1.15 -3.33 115.58 111.65 1r1j h ASN 71 Ca -0.00 -0.12 -0.48 0.00 -0.55 0.00 0.00 56.30 55.15 1r1j h ASN 71 Cb 1.00 -0.03 0.04 0.00 0.05 0.00 0.00 38.32 39.37 1r1j h ASN 71 CO 0.05 1.10 0.08 0.00 -1.65 0.00 0.00 177.43 177.01 1r1j s MET 72 N -2.68 3.13 -0.25 0.81 0.23 -0.96 -1.11 119.30 118.47 1r1j s MET 72 Ca -0.01 -0.08 0.00 0.00 -1.03 0.00 0.00 55.69 54.57 1r1j s MET 72 Cb 0.09 -2.38 0.07 0.00 -1.53 0.00 0.00 34.83 31.08 1r1j s MET 72 CO 0.84 -0.44 -0.01 0.34 -2.03 0.00 0.00 175.02 173.72 1r1j s ASP 73 N -4.22 3.86 0.55 -1.18 2.15 0.96 -3.39 116.67 115.39 1r1j s ASP 73 Ca 0.50 -1.31 0.33 0.00 0.43 0.00 0.00 52.55 52.51 1r1j s ASP 73 Cb -0.10 -1.10 1.42 0.00 -0.30 0.00 0.00 42.92 42.84 1r1j s ASP 73 CO 0.43 -0.29 2.01 0.00 -0.17 0.00 0.00 175.17 177.15 1r1j h ALA 74 N 7.98 1.03 0.00 3.66 0.00 -1.92 -2.36 119.26 127.65 1r1j h ALA 74 Ca -0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1r1j h ALA 74 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1r1j h ALA 74 CO 0.42 0.05 0.00 1.79 0.00 0.00 0.00 179.25 181.52 1r1j h THR 75 N 0.00 0.00 -2.81 0.00 1.35 -1.95 -3.42 112.91 106.08 1r1j h THR 75 Ca -0.00 -0.03 -0.66 0.00 -0.55 0.00 0.00 66.41 65.17 1r1j h THR 75 Cb 0.48 0.58 -0.09 0.00 -1.73 0.00 0.00 68.15 67.39 1r1j h THR 75 CO 0.01 0.00 -0.50 -0.89 -0.25 0.00 0.00 175.52 173.89 1r1j s THR 76 N -3.58 5.34 -0.31 6.82 2.01 -0.89 -5.05 115.64 119.98 1r1j s THR 76 Ca -0.02 0.15 -0.29 0.00 0.31 0.00 0.00 61.69 61.84 1r1j s THR 76 Cb 0.07 -3.33 -0.00 0.00 0.01 0.00 0.00 72.50 69.25 1r1j s THR 76 CO 0.24 0.59 1.38 -0.70 -0.69 0.00 0.00 174.62 175.44 1r1j s GLU 77 N -0.81 3.83 0.62 4.92 2.56 -1.26 -4.78 118.70 123.77 1r1j s GLU 77 Ca 0.14 1.26 0.34 0.00 0.00 0.00 0.00 54.97 56.71 1r1j s GLU 77 Cb -0.12 -3.94 1.94 0.00 2.00 0.00 0.00 34.13 34.01 1r1j s GLU 77 CO 0.03 -1.24 2.20 -1.35 -0.56 0.00 0.00 175.26 174.34 1r1j h PRO 78 N 9.83 0.00 -0.00 4.30 0.11 -1.93 0.26 132.00 144.56 1r1j h PRO 78 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1r1j h PRO 78 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1r1j h PRO 78 CO 1.04 0.00 -0.13 0.00 -0.21 0.00 0.00 178.00 178.70 1r1j n THR 80 N -1.00 1.43 -3.06 0.00 -1.04 0.86 -2.28 114.28 109.19 1r1j n THR 80 Ca 0.13 -0.47 -0.01 0.00 -2.04 0.00 0.00 64.05 61.66 1r1j n THR 80 Cb 0.29 -1.56 -0.00 0.00 -1.82 0.00 0.00 70.33 67.23 1r1j n THR 80 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1r1j s ASP 81 N -6.77 -1.47 0.26 8.00 -1.08 -0.96 -4.58 116.67 110.06 1r1j s ASP 81 Ca -0.35 -1.05 0.23 0.00 -0.52 0.00 0.00 52.55 50.87 1r1j s ASP 81 Cb 0.11 1.90 0.99 0.00 -1.46 0.00 0.00 42.92 44.46 1r1j s ASP 81 CO 0.53 -0.13 1.70 0.33 0.52 0.00 0.00 175.17 178.12 1r1j n PHE 82 N 3.94 0.80 -0.06 -5.34 7.35 -1.19 -1.16 117.46 121.79 1r1j n PHE 82 Ca 0.13 0.32 -0.13 0.00 -0.76 0.00 0.00 57.45 57.02 1r1j n PHE 82 Cb 0.57 -1.02 -0.06 0.00 0.35 0.00 0.00 39.48 39.32 1r1j n PHE 82 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 1r1j h PHE 83 N 0.00 0.47 -0.39 -5.13 -0.00 -1.90 0.33 116.94 110.32 1r1j h PHE 83 Ca 0.00 -0.13 -0.09 0.00 -0.00 0.00 0.00 57.97 57.75 1r1j h PHE 83 Cb 0.34 -0.10 -0.01 0.00 -0.00 0.00 0.00 35.95 36.17 1r1j h PHE 83 CO 0.00 0.74 -0.10 0.87 -0.00 0.00 0.00 178.31 179.82 1r1j h LYS 84 N 0.07 0.75 0.19 1.11 1.57 -1.52 0.15 116.57 118.90 1r1j h LYS 84 Ca 0.04 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1r1j h LYS 84 Cb 0.63 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1r1j h LYS 84 CO 0.03 0.90 -0.30 -0.92 -0.57 0.00 0.00 179.45 178.59 1r1j h TYR 85 N 0.56 -0.81 -0.25 -1.35 3.20 -1.38 0.22 116.97 117.16 1r1j h TYR 85 Ca 0.10 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 1r1j h TYR 85 Cb 0.62 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 1r1j h TYR 85 CO 0.05 -0.42 -0.19 0.00 -1.64 0.00 0.00 178.16 175.96 1r1j h ALA 86 N 0.07 1.21 0.00 1.82 0.00 -0.77 0.27 119.26 121.86 1r1j h ALA 86 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1r1j h ALA 86 Cb 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1r1j h ALA 86 CO -0.13 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1r1j h GLY 88 N 0.00 0.00 0.95 0.00 0.00 -0.41 -0.37 103.07 103.24 1r1j h GLY 88 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1r1j h GLY 88 CO 0.00 0.00 0.17 -1.33 0.00 0.00 0.00 176.54 175.38 1r1j h GLY 89 N 1.00 0.52 1.00 4.60 0.00 -1.13 -2.59 103.07 106.48 1r1j h GLY 89 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1r1j h GLY 89 CO 0.04 0.24 0.34 -0.25 0.00 0.00 0.00 176.54 176.92 1r1j h TRP 90 N 0.42 0.91 -0.16 5.60 7.01 -0.19 -2.92 115.95 126.61 1r1j h TRP 90 Ca 0.12 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.11 1r1j h TRP 90 Cb 0.11 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 26.86 1r1j h TRP 90 CO -0.02 0.66 0.04 -0.07 -2.79 0.00 0.00 178.44 176.26 1r1j h LEU 91 N 0.89 0.03 -0.83 0.65 -0.00 -0.99 -2.69 115.31 112.38 1r1j h LEU 91 Ca 0.23 0.02 -0.08 0.00 -0.00 0.00 0.00 57.88 58.05 1r1j h LEU 91 Cb 0.07 0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 40.73 1r1j h LEU 91 CO -0.03 0.04 0.03 0.50 -0.00 0.00 0.00 178.44 178.98 1r1j h LYS 92 N 0.11 0.91 0.00 1.13 3.64 -1.45 -3.24 116.57 117.67 1r1j h LYS 92 Ca 0.07 -0.25 -0.13 0.00 -1.27 0.00 0.00 60.65 59.07 1r1j h LYS 92 Cb 0.06 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1r1j h LYS 92 CO -0.09 0.88 -0.64 0.00 -2.27 0.00 0.00 179.45 177.34 1r1j h ARG 93 N 0.85 0.00 -5.98 1.90 3.08 -1.28 -3.47 114.38 109.48 1r1j h ARG 93 Ca 0.17 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.68 1r1j h ARG 93 Cb 0.46 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.35 1r1j h ARG 93 CO 0.02 0.64 -0.77 1.21 -1.07 0.00 0.00 179.97 180.00 1r1j s ASN 94 N -6.58 2.95 0.02 7.04 3.84 -1.12 -5.12 114.94 115.96 1r1j s ASN 94 Ca 0.02 -0.94 0.04 0.00 0.21 0.00 0.00 52.86 52.18 1r1j s ASN 94 Cb 0.10 -0.20 -0.02 0.00 -0.55 0.00 0.00 41.25 40.59 1r1j s ASN 94 CO 0.76 -0.04 -0.11 -0.69 -2.79 0.00 0.00 177.10 174.23 1r1j s VAL 95 N -2.35 0.85 -0.08 -5.21 1.01 -1.26 -4.90 120.40 108.46 1r1j s VAL 95 Ca 0.21 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 1r1j s VAL 95 Cb -0.04 -0.77 -0.07 0.00 0.00 0.00 0.00 36.38 35.50 1r1j s VAL 95 CO 0.09 0.04 1.99 -0.63 0.00 0.00 0.00 175.10 176.59 1r1j s ILE 96 N -0.65 3.12 0.91 2.22 1.01 -1.26 -4.95 121.20 121.60 1r1j s ILE 96 Ca 0.01 0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.67 1r1j s ILE 96 Cb -0.06 -3.12 0.03 0.00 0.01 0.00 0.00 42.46 39.32 1r1j s ILE 96 CO 0.00 -0.04 0.50 -2.65 0.00 0.00 0.00 174.94 172.75 1r1j n PRO 97 N 7.94 -0.18 0.13 2.79 -0.02 -1.26 -4.86 135.00 139.55 1r1j n PRO 97 Ca 0.23 -0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.83 1r1j n PRO 97 Cb 0.43 -1.91 0.50 0.00 -0.02 0.00 0.00 33.50 32.50 1r1j n PRO 97 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1r1j n GLU 98 N -1.74 0.21 0.00 -0.52 -0.58 -1.26 -2.23 120.64 114.52 1r1j n GLU 98 Ca 0.08 0.42 0.12 0.00 -0.42 0.00 0.00 57.16 57.36 1r1j n GLU 98 Cb 0.53 -1.89 0.07 0.00 -0.57 0.00 0.00 31.44 29.58 1r1j n GLU 98 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1r1j n THR 99 N -2.27 0.00 -4.57 2.62 -2.24 -1.26 -1.30 114.28 105.26 1r1j n THR 99 Ca 0.02 -0.37 -0.34 0.00 -2.27 0.00 0.00 64.05 61.10 1r1j n THR 99 Cb 0.24 1.32 -0.12 0.00 -2.10 0.00 0.00 70.33 69.67 1r1j n THR 99 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1r1j s SER 100 N -2.25 4.58 0.31 3.42 0.01 -0.95 -4.62 113.70 114.22 1r1j s SER 100 Ca 0.24 -0.12 0.23 0.00 1.31 0.00 0.00 55.95 57.61 1r1j s SER 100 Cb 0.19 -1.49 0.29 0.00 0.21 0.00 0.00 66.02 65.22 1r1j s SER 100 CO 0.44 0.25 1.43 0.77 0.41 0.00 0.00 173.24 176.54 1r1j h SER 101 N 6.09 0.00 -5.00 2.44 4.64 -1.86 -3.44 113.55 116.43 1r1j h SER 101 Ca -0.37 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 60.83 1r1j h SER 101 Cb 1.19 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.08 1r1j h SER 101 CO 0.57 0.01 -0.09 -0.60 -0.87 0.00 0.00 176.83 175.85 1r1j s ARG 102 N -3.24 0.83 0.06 4.77 3.52 -1.26 -1.57 118.95 122.06 1r1j s ARG 102 Ca 0.05 -0.03 -0.14 0.00 -0.13 0.00 0.00 55.73 55.48 1r1j s ARG 102 Cb 0.08 0.38 0.02 0.00 -1.56 0.00 0.00 34.95 33.87 1r1j s ARG 102 CO 0.70 -0.25 0.32 -0.47 -0.81 0.00 0.00 175.30 174.80 1r1j s TYR 103 N -1.33 -0.12 -5.00 5.12 5.04 -0.93 -4.96 117.35 115.17 1r1j s TYR 103 Ca -0.12 -0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.45 1r1j s TYR 103 Cb -0.03 0.12 0.00 0.00 0.35 0.00 0.00 41.96 42.40 1r1j s TYR 103 CO 0.06 -0.55 0.00 0.41 -1.34 0.00 0.00 175.55 174.13 1r1j n GLY 104 N 0.39 0.16 0.29 8.97 0.00 -1.26 -1.25 105.19 112.49 1r1j n GLY 104 Ca -0.18 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 1r1j n GLY 104 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1r1j h ASN 105 N 0.00 1.03 -0.00 1.61 -1.24 -1.46 0.19 115.58 115.72 1r1j h ASN 105 Ca 0.00 -0.39 0.00 0.00 0.71 0.00 0.00 56.30 56.62 1r1j h ASN 105 Cb 0.00 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 38.76 1r1j h ASN 105 CO 0.00 1.19 0.00 0.15 -1.29 0.00 0.00 177.43 177.49 1r1j h PHE 106 N 0.87 0.01 -0.21 0.67 3.57 -1.83 -0.76 116.94 119.25 1r1j h PHE 106 Ca 0.11 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1r1j h PHE 106 Cb 0.79 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1r1j h PHE 106 CO 0.05 0.03 -0.09 -0.44 -2.23 0.00 0.00 178.31 175.63 1r1j h ASP 107 N -0.02 0.31 -0.30 0.41 3.32 -1.83 -1.93 116.42 116.38 1r1j h ASP 107 Ca 0.00 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1r1j h ASP 107 Cb 0.03 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1r1j h ASP 107 CO -0.00 0.44 0.01 0.40 -1.72 0.00 0.00 179.24 178.37 1r1j h ILE 108 N 0.32 1.25 -0.90 0.35 2.04 -0.31 -1.29 117.51 118.97 1r1j h ILE 108 Ca 0.07 -0.91 0.15 0.00 1.00 0.00 0.00 64.86 65.16 1r1j h ILE 108 Cb 0.36 1.26 -0.07 0.00 -0.74 0.00 0.00 36.82 37.63 1r1j h ILE 108 CO 0.02 0.30 0.58 -0.07 0.00 0.00 0.00 178.15 178.97 1r1j h LEU 109 N 0.32 0.64 -0.43 1.44 3.38 -0.59 -0.97 115.31 119.09 1r1j h LEU 109 Ca 0.09 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 1r1j h LEU 109 Cb 0.42 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1r1j h LEU 109 CO 0.01 0.32 -0.71 0.03 0.09 0.00 0.00 178.44 178.18 1r1j h ARG 110 N 0.67 0.39 -0.16 1.13 3.08 -0.88 -0.60 114.38 118.02 1r1j h ARG 110 Ca 0.45 -0.31 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 1r1j h ARG 110 Cb 0.76 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1r1j h ARG 110 CO -0.21 0.95 -0.44 -0.44 -1.07 0.00 0.00 179.97 178.76 1r1j h ASP 111 N 0.27 0.40 0.02 7.04 3.45 -0.58 -2.18 116.42 124.84 1r1j h ASP 111 Ca -0.03 -0.18 -0.17 0.00 0.43 0.00 0.00 57.03 57.08 1r1j h ASP 111 Cb 1.28 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 39.93 1r1j h ASP 111 CO 0.12 0.79 -0.58 -0.33 -1.57 0.00 0.00 179.24 177.67 1r1j h GLU 112 N 0.31 0.58 -0.77 3.56 5.08 -0.99 -2.95 114.58 119.39 1r1j h GLU 112 Ca 0.02 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 57.96 1r1j h GLU 112 Cb 0.89 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 1r1j h GLU 112 CO 0.07 0.99 0.32 1.25 -1.00 0.00 0.00 179.01 180.65 1r1j h LEU 113 N 0.44 1.05 -1.98 1.33 6.46 -0.91 -1.90 115.31 119.80 1r1j h LEU 113 Ca 0.00 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.58 1r1j h LEU 113 Cb 1.13 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.79 1r1j h LEU 113 CO 0.11 0.93 -0.07 -0.33 -0.62 0.00 0.00 178.44 178.46 1r1j h GLU 114 N 1.11 0.00 -0.19 1.25 5.08 -1.26 -2.15 114.58 118.42 1r1j h GLU 114 Ca 0.26 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1r1j h GLU 114 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1r1j h GLU 114 CO -0.02 0.07 0.02 0.28 -1.00 0.00 0.00 179.01 178.36 1r1j h VAL 115 N 0.00 1.23 -0.71 3.13 2.07 -1.18 0.44 116.25 121.24 1r1j h VAL 115 Ca -0.00 -0.78 0.07 0.00 0.82 0.00 0.00 66.70 66.81 1r1j h VAL 115 Cb 0.14 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1r1j h VAL 115 CO 0.01 0.24 0.38 0.58 0.02 0.00 0.00 177.57 178.80 1r1j h VAL 116 N 0.10 0.92 -0.46 2.57 2.07 -1.41 -1.01 116.25 119.03 1r1j h VAL 116 Ca 0.06 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1r1j h VAL 116 Cb 0.34 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1r1j h VAL 116 CO 0.01 0.12 0.27 -0.07 0.02 0.00 0.00 177.57 177.92 1r1j h LEU 117 N 0.68 0.43 -0.42 2.57 3.38 -0.87 -0.26 115.31 120.82 1r1j h LEU 117 Ca 0.33 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.37 1r1j h LEU 117 Cb 0.26 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1r1j h LEU 117 CO -0.22 0.31 0.11 0.50 0.09 0.00 0.00 178.44 179.23 1r1j h LYS 118 N 0.54 0.25 -0.34 1.13 3.64 -0.45 -0.46 116.57 120.87 1r1j h LYS 118 Ca 0.18 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1r1j h LYS 118 Cb 0.02 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1r1j h LYS 118 CO -0.09 0.16 0.19 -0.44 -2.27 0.00 0.00 179.45 177.01 1r1j h ASP 119 N 0.25 0.41 0.85 4.20 3.32 -0.12 -2.59 116.42 122.74 1r1j h ASP 119 Ca 0.20 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1r1j h ASP 119 Cb 0.23 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1r1j h ASP 119 CO -0.24 0.32 -0.96 1.33 -1.72 0.00 0.00 179.24 177.97 1r1j n VAL 120 N -4.45 0.48 0.07 -1.35 0.24 -0.21 -4.17 118.33 108.94 1r1j n VAL 120 Ca 0.02 -0.44 0.11 0.00 -2.04 0.00 0.00 64.34 61.99 1r1j n VAL 120 Cb 0.09 -0.20 -0.14 0.00 -1.47 0.00 0.00 33.84 32.12 1r1j n VAL 120 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1r1j n LEU 121 N -2.44 0.19 0.02 1.34 4.77 -0.26 -4.62 117.00 115.99 1r1j n LEU 121 Ca 0.01 0.02 0.11 0.00 -0.03 0.00 0.00 56.01 56.12 1r1j n LEU 121 Cb 0.51 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1r1j n LEU 121 CO 0.39 -0.01 -0.07 0.00 -1.33 0.00 0.00 177.39 176.37 1r1j n GLN 122 N -2.28 0.28 -4.04 3.23 10.64 -0.99 -4.65 117.38 119.57 1r1j n GLN 122 Ca -0.03 -0.02 -0.32 0.00 -1.83 0.00 0.00 57.00 54.80 1r1j n GLN 122 Cb 0.55 -1.57 -0.15 0.00 -0.86 0.00 0.00 30.24 28.21 1r1j n GLN 122 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1r1j s GLU 123 N -3.19 2.05 0.25 2.61 2.02 -1.26 -5.09 118.70 116.08 1r1j s GLU 123 Ca 0.03 -1.49 -0.29 0.00 0.02 0.00 0.00 54.97 53.24 1r1j s GLU 123 Cb 0.15 -3.01 -0.15 0.00 0.10 0.00 0.00 34.13 31.21 1r1j s GLU 123 CO 0.82 -0.68 0.88 -2.30 0.02 0.00 0.00 175.26 174.00 1r1j n PRO 124 N 4.40 0.91 -4.44 0.39 -0.02 -1.26 -5.01 135.00 129.96 1r1j n PRO 124 Ca -0.09 0.32 -0.23 0.00 -2.02 0.00 0.00 63.50 61.48 1r1j n PRO 124 Cb 0.42 -1.59 -0.13 0.00 -0.02 0.00 0.00 33.50 32.17 1r1j n PRO 124 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1r1j s LYS 125 N -1.24 1.16 0.19 -0.52 1.02 -1.26 -5.06 119.74 114.04 1r1j s LYS 125 Ca 0.62 -0.96 0.04 0.00 0.02 0.00 0.00 55.97 55.69 1r1j s LYS 125 Cb -0.80 -1.29 0.07 0.00 -0.52 0.00 0.00 37.83 35.30 1r1j s LYS 125 CO 0.58 0.32 1.44 0.00 -0.92 0.00 0.00 175.35 176.76 1r1j h THR 126 N 4.31 1.48 -0.58 2.17 1.03 -2.04 -2.04 112.91 117.24 1r1j h THR 126 Ca -0.42 -2.48 0.00 0.00 -0.01 0.00 0.00 66.41 63.50 1r1j h THR 126 Cb 1.17 2.36 0.00 0.00 -1.07 0.00 0.00 68.15 70.61 1r1j h THR 126 CO 0.42 0.72 0.00 -1.84 -0.01 0.00 0.00 175.52 174.81 1r1j n GLU 127 N -3.70 4.59 -1.60 0.00 0.00 -1.26 -4.92 120.64 113.75 1r1j n GLU 127 Ca -0.03 -3.02 -0.49 0.00 0.00 0.00 0.00 57.16 53.62 1r1j n GLU 127 Cb 0.75 -2.18 -0.05 0.00 0.00 0.00 0.00 31.44 29.96 1r1j n GLU 127 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1r1j n ASP 128 N 0.71 2.90 -4.73 -1.84 8.00 -0.77 -4.99 116.55 115.83 1r1j n ASP 128 Ca 0.27 0.69 -0.33 0.00 0.71 0.00 0.00 54.79 56.13 1r1j n ASP 128 Cb 1.12 -1.34 0.09 0.00 -0.02 0.00 0.00 41.12 40.97 1r1j n ASP 128 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1r1j s ILE 129 N 5.70 2.65 0.42 0.53 -4.36 -1.26 -4.71 121.20 120.18 1r1j s ILE 129 Ca 1.00 0.29 0.16 0.00 -0.26 0.00 0.00 60.65 61.84 1r1j s ILE 129 Cb -0.73 -2.76 0.36 0.00 1.25 0.00 0.00 42.46 40.58 1r1j s ILE 129 CO 0.50 -0.20 1.90 0.58 0.24 0.00 0.00 174.94 177.96 1r1j h VAL 130 N -0.50 0.77 -0.57 8.37 2.07 -1.98 0.16 116.25 124.56 1r1j h VAL 130 Ca -0.46 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1r1j h VAL 130 Cb 1.27 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1r1j h VAL 130 CO 0.50 0.08 0.36 0.00 0.02 0.00 0.00 177.57 178.53 1r1j h ALA 131 N 1.63 0.73 -0.08 1.67 0.00 -1.89 -0.21 119.26 121.11 1r1j h ALA 131 Ca 0.40 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 55.07 1r1j h ALA 131 Cb 0.93 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1r1j h ALA 131 CO -0.13 0.19 -0.73 0.28 0.00 0.00 0.00 179.25 178.86 1r1j h VAL 132 N 0.78 1.38 -0.34 0.00 2.07 -1.08 -2.96 116.25 116.09 1r1j h VAL 132 Ca 0.21 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.59 1r1j h VAL 132 Cb -0.06 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1r1j h VAL 132 CO -0.04 0.64 0.22 1.56 0.02 0.00 0.00 177.57 179.97 1r1j h GLN 133 N 0.28 0.45 0.10 1.57 4.20 -0.58 -1.56 115.11 119.56 1r1j h GLN 133 Ca -0.03 -0.03 -0.26 0.00 0.06 0.00 0.00 58.65 58.39 1r1j h GLN 133 Cb 1.30 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1r1j h GLN 133 CO 0.13 0.31 -1.17 0.87 -0.67 0.00 0.00 178.83 178.29 1r1j h LYS 134 N 0.46 0.25 -0.30 1.46 1.57 -0.90 -1.51 116.57 117.60 1r1j h LYS 134 Ca 0.12 -0.40 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 1r1j h LYS 134 Cb -0.04 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1r1j h LYS 134 CO -0.03 1.17 0.03 0.00 -0.57 0.00 0.00 179.45 180.06 1r1j h ALA 135 N 0.66 0.40 -0.93 3.86 0.00 -1.34 -1.62 119.26 120.29 1r1j h ALA 135 Ca -0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1r1j h ALA 135 Cb 1.89 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 1r1j h ALA 135 CO 0.19 0.11 0.54 0.87 0.00 0.00 0.00 179.25 180.96 1r1j h LYS 136 N 0.32 1.28 -0.16 0.00 1.57 -1.26 0.72 116.57 119.04 1r1j h LYS 136 Ca 0.09 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 1r1j h LYS 136 Cb 0.37 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1r1j h LYS 136 CO 0.01 0.91 -0.43 0.00 -0.57 0.00 0.00 179.45 179.37 1r1j h ALA 137 N 1.30 0.97 -0.20 3.86 0.00 -1.14 0.06 119.26 124.11 1r1j h ALA 137 Ca 0.33 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1r1j h ALA 137 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1r1j h ALA 137 CO -0.06 0.63 -0.57 1.25 0.00 0.00 0.00 179.25 180.50 1r1j h LEU 138 N 0.31 0.85 0.11 0.00 5.85 -0.72 0.08 115.31 121.79 1r1j h LEU 138 Ca 0.02 -0.58 0.02 0.00 0.84 0.00 0.00 57.88 58.18 1r1j h LEU 138 Cb 0.89 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1r1j h LEU 138 CO 0.07 1.28 -0.30 0.22 -0.34 0.00 0.00 178.44 179.38 1r1j h TYR 139 N 0.46 -0.81 -0.21 1.25 3.20 -0.67 -1.43 116.97 118.77 1r1j h TYR 139 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1r1j h TYR 139 Cb 1.19 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.79 1r1j h TYR 139 CO 0.09 -0.40 0.14 0.00 -1.64 0.00 0.00 178.16 176.34 1r1j h ARG 140 N -0.51 0.28 0.00 1.82 3.08 -0.85 -0.07 114.38 118.13 1r1j h ARG 140 Ca 0.03 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 1r1j h ARG 140 Cb 0.54 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1r1j h ARG 140 CO -0.18 0.18 -0.57 0.66 -1.07 0.00 0.00 179.97 178.99 1r1j h SER 141 N 0.28 0.00 0.92 7.04 4.64 -0.65 -2.84 113.55 122.95 1r1j h SER 141 Ca 0.08 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.20 1r1j h SER 141 Cb -0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 1r1j h SER 141 CO -0.02 0.57 -1.15 0.00 -0.87 0.00 0.00 176.83 175.36 1r1j n ILE 143 N -3.15 0.00 -2.57 0.00 -5.35 -0.60 -4.68 119.36 103.01 1r1j n ILE 143 Ca -0.06 -0.17 -0.42 0.00 -0.27 0.00 0.00 62.75 61.84 1r1j n ILE 143 Cb 0.90 0.95 -0.02 0.00 -1.74 0.00 0.00 39.64 39.73 1r1j n ILE 143 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1r1j s ASN 144 N -2.60 6.62 0.19 7.28 3.84 -1.08 -4.81 114.94 124.37 1r1j s ASN 144 Ca 0.18 -1.80 0.09 0.00 0.21 0.00 0.00 52.86 51.53 1r1j s ASN 144 Cb 0.18 -2.57 0.04 0.00 -0.55 0.00 0.00 41.25 38.34 1r1j s ASN 144 CO 0.62 -1.39 1.42 -0.33 -2.79 0.00 0.00 177.10 174.63 1r1j h GLU 145 N 9.02 0.00 -0.28 0.43 5.08 -1.90 -2.73 114.58 124.20 1r1j h GLU 145 Ca 0.29 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.69 1r1j h GLU 145 Cb 0.96 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.14 1r1j h GLU 145 CO 1.44 0.82 -0.52 1.03 -1.00 0.00 0.00 179.01 180.78 1r1j h SER 146 N 0.00 -1.72 -0.49 1.42 0.87 -1.99 0.63 113.55 112.27 1r1j h SER 146 Ca -0.01 0.22 0.03 0.00 -1.23 0.00 0.00 61.79 60.80 1r1j h SER 146 Cb 1.48 0.69 -0.04 0.00 -0.44 0.00 0.00 62.40 64.09 1r1j h SER 146 CO 0.11 -0.41 0.28 0.00 -0.53 0.00 0.00 176.83 176.27 1r1j h ALA 147 N -0.21 0.63 -0.10 6.23 0.00 -1.93 -0.83 119.26 123.04 1r1j h ALA 147 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1r1j h ALA 147 Cb 0.60 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1r1j h ALA 147 CO -0.50 -0.04 0.05 0.82 0.00 0.00 0.00 179.25 179.57 1r1j h ILE 148 N 0.55 1.11 -0.68 0.00 2.04 -1.14 -3.04 117.51 116.35 1r1j h ILE 148 Ca 0.21 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1r1j h ILE 148 Cb 0.06 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1r1j h ILE 148 CO -0.11 0.10 0.43 0.44 0.00 0.00 0.00 178.15 179.01 1r1j h ASP 149 N 0.04 0.72 -0.98 1.72 3.45 0.57 -1.12 116.42 120.81 1r1j h ASP 149 Ca 0.03 -0.00 0.34 0.00 0.43 0.00 0.00 57.03 57.83 1r1j h ASP 149 Cb 0.11 -0.16 -0.17 0.00 -0.56 0.00 0.00 39.33 38.55 1r1j h ASP 149 CO -0.00 0.50 0.39 -1.28 -1.57 0.00 0.00 179.24 177.28 1r1j h SER 150 N 0.85 0.15 0.41 6.45 0.87 -1.04 -2.18 113.55 119.06 1r1j h SER 150 Ca 0.27 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 1r1j h SER 150 Cb -0.01 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1r1j h SER 150 CO -0.10 -0.32 -0.13 0.54 -0.53 0.00 0.00 176.83 176.30 1r1j n ARG 151 N -5.26 0.60 0.00 2.24 1.74 -0.43 -4.98 116.66 110.57 1r1j n ARG 151 Ca 0.31 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1r1j n ARG 151 Cb 1.03 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 1r1j n ARG 151 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1r1j n GLY 152 N 1.31 3.60 0.70 -0.13 0.00 -0.82 -1.92 105.19 107.94 1r1j n GLY 152 Ca 0.13 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.19 1r1j n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r1j n GLY 153 N 0.00 0.69 0.26 -0.02 0.00 -1.26 -2.90 105.19 101.96 1r1j n GLY 153 Ca 0.00 -0.48 0.10 0.00 0.00 0.00 0.00 46.02 45.65 1r1j n GLY 153 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1r1j h GLU 154 N 3.11 0.00 0.00 1.61 -0.00 -1.80 0.81 114.58 118.31 1r1j h GLU 154 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 1r1j h GLU 154 Cb 0.70 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.45 1r1j h GLU 154 CO 0.00 0.10 -0.14 -1.35 -0.00 0.00 0.00 179.01 177.61 1r1j h PRO 155 N 0.00 0.00 -0.06 1.06 0.11 -1.86 -1.81 132.00 129.43 1r1j h PRO 155 Ca -0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 1r1j h PRO 155 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1r1j h PRO 155 CO 0.01 0.14 -0.15 1.25 -0.21 0.00 0.00 178.00 179.04 1r1j h LEU 156 N 0.00 0.24 -1.50 2.35 6.46 0.25 -3.18 115.31 119.93 1r1j h LEU 156 Ca -0.00 -0.59 0.06 0.00 -0.12 0.00 0.00 57.88 57.23 1r1j h LEU 156 Cb 0.70 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.52 1r1j h LEU 156 CO 0.02 0.79 0.42 -0.07 -0.62 0.00 0.00 178.44 178.97 1r1j h LEU 157 N -0.30 0.54 0.00 2.25 3.38 -1.19 0.92 115.31 120.90 1r1j h LEU 157 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r1j h LEU 157 Cb 0.76 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1r1j h LEU 157 CO 0.03 0.35 -0.11 0.11 0.09 0.00 0.00 178.44 178.92 1r1j h LYS 158 N 0.61 0.00 -0.05 1.13 1.79 -1.45 -3.19 116.57 115.41 1r1j h LYS 158 Ca 0.27 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.53 1r1j h LYS 158 Cb 0.28 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1r1j h LYS 158 CO -0.08 0.00 -0.80 1.25 -1.08 0.00 0.00 179.45 178.74 1r1j h LEU 159 N 0.00 0.80 -0.93 2.94 5.85 -0.82 -3.40 115.31 119.74 1r1j h LEU 159 Ca 0.00 -0.70 0.04 0.00 0.84 0.00 0.00 57.88 58.06 1r1j h LEU 159 Cb 0.92 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 1r1j h LEU 159 CO 0.00 1.39 0.60 -0.07 -0.34 0.00 0.00 178.44 180.02 1r1j h LEU 160 N 0.28 1.00 -2.38 2.25 4.07 -1.34 0.33 115.31 119.52 1r1j h LEU 160 Ca -0.09 -0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.88 1r1j h LEU 160 Cb 1.46 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.98 1r1j h LEU 160 CO 0.16 0.67 0.20 -0.65 -1.08 0.00 0.00 178.44 177.75 1r1j h PRO 161 N 1.16 0.00 0.00 1.13 0.11 -1.77 -0.57 132.00 132.05 1r1j h PRO 161 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1r1j h PRO 161 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1r1j h PRO 161 CO -0.13 0.00 -0.20 -3.47 -0.21 0.00 0.00 178.00 173.99 1r1j n ASP 162 N -3.07 0.22 -0.20 -2.05 4.64 0.12 -3.51 116.55 112.70 1r1j n ASP 162 Ca -0.02 0.21 0.09 0.00 -1.38 0.00 0.00 54.79 53.69 1r1j n ASP 162 Cb 0.27 -0.21 0.14 0.00 -1.04 0.00 0.00 41.12 40.27 1r1j n ASP 162 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 1r1j n ILE 163 N -1.53 1.79 -1.36 5.18 -5.35 -0.32 -4.91 119.36 112.86 1r1j n ILE 163 Ca 0.06 -2.26 -0.08 0.00 -0.27 0.00 0.00 62.75 60.20 1r1j n ILE 163 Cb 0.34 -0.18 -0.03 0.00 -1.74 0.00 0.00 39.64 38.04 1r1j n ILE 163 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1r1j n TYR 164 N -1.27 -0.05 0.00 4.28 4.02 -1.18 -4.89 117.16 118.07 1r1j n TYR 164 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 1r1j n TYR 164 Cb 0.66 -1.67 0.00 0.00 -0.02 0.00 0.00 39.34 38.31 1r1j n TYR 164 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1r1j n GLY 165 N -1.89 -0.26 3.09 2.72 0.00 -0.59 -4.77 105.19 103.48 1r1j n GLY 165 Ca -0.08 -1.74 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 1r1j n GLY 165 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1r1j s TRP 166 N -2.15 3.63 0.21 1.61 -0.00 -1.26 -4.79 118.94 116.20 1r1j s TRP 166 Ca 0.00 -2.58 -0.13 0.00 -0.00 0.00 0.00 56.10 53.38 1r1j s TRP 166 Cb 0.00 -3.15 0.24 0.00 -0.00 0.00 0.00 33.47 30.57 1r1j s TRP 166 CO 0.00 -0.96 1.62 -1.35 -0.00 0.00 0.00 176.95 176.26 1r1j h PRO 167 N 7.91 -0.00 0.00 5.86 0.11 -1.86 0.29 132.00 144.31 1r1j h PRO 167 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1r1j h PRO 167 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1r1j h PRO 167 CO 0.65 -0.00 0.00 -0.24 -0.21 0.00 0.00 178.00 178.20 1r1j h VAL 168 N -0.00 0.00 -0.26 3.15 3.04 -1.95 0.19 116.25 120.41 1r1j h VAL 168 Ca 0.31 -0.07 -0.07 0.00 -1.01 0.00 0.00 66.70 65.86 1r1j h VAL 168 Cb 0.47 0.96 -0.04 0.00 -2.01 0.00 0.00 31.29 30.68 1r1j h VAL 168 CO -0.67 0.00 -0.03 0.00 -1.01 0.00 0.00 177.57 175.87 1r1j n ALA 169 N -2.01 3.39 -3.42 3.17 0.00 0.99 -4.97 120.51 117.65 1r1j n ALA 169 Ca -0.02 -2.65 -0.20 0.00 0.00 0.00 0.00 53.44 50.57 1r1j n ALA 169 Cb 0.10 -0.68 -0.16 0.00 0.00 0.00 0.00 19.45 18.70 1r1j n ALA 169 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1r1j s THR 170 N -2.99 0.64 0.27 0.00 2.01 0.65 -4.78 115.64 111.44 1r1j s THR 170 Ca 0.42 -0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.91 1r1j s THR 170 Cb 0.36 -0.62 -0.10 0.00 0.01 0.00 0.00 72.50 72.15 1r1j s THR 170 CO 0.05 0.23 1.31 -1.83 -0.69 0.00 0.00 174.62 173.69 1r1j s GLU 171 N 0.64 4.37 -1.43 4.92 -1.05 -1.26 -4.17 118.70 120.73 1r1j s GLU 171 Ca -0.09 2.15 -0.03 0.00 -0.15 0.00 0.00 54.97 56.85 1r1j s GLU 171 Cb -0.12 -3.12 0.02 0.00 -0.44 0.00 0.00 34.13 30.46 1r1j s GLU 171 CO 0.01 -0.21 0.53 0.09 0.95 0.00 0.00 175.26 176.62 1r1j n ASN 172 N 1.65 -0.98 -0.22 0.83 3.02 -1.26 -4.81 115.26 113.49 1r1j n ASN 172 Ca 0.03 -0.97 -0.02 0.00 -0.03 0.00 0.00 54.58 53.59 1r1j n ASN 172 Cb 0.42 -3.22 0.17 0.00 -0.61 0.00 0.00 39.78 36.53 1r1j n ASN 172 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 1r1j h TRP 173 N -1.82 1.01 -0.78 3.10 7.01 -1.88 -0.73 115.95 121.86 1r1j h TRP 173 Ca -0.62 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 60.34 1r1j h TRP 173 Cb 1.37 -0.32 -0.04 0.00 -2.10 0.00 0.00 29.16 28.08 1r1j h TRP 173 CO 0.50 0.74 0.51 0.93 -2.79 0.00 0.00 178.44 178.33 1r1j h GLU 174 N 1.01 1.03 -0.10 2.65 3.07 -1.95 0.12 114.58 120.41 1r1j h GLU 174 Ca 0.25 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.92 1r1j h GLU 174 Cb 0.11 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.79 1r1j h GLU 174 CO -0.03 0.69 -0.42 0.37 -1.40 0.00 0.00 179.01 178.21 1r1j h GLN 175 N 1.05 0.47 -0.09 2.33 -0.00 -1.75 -2.17 115.11 114.95 1r1j h GLN 175 Ca 0.28 -0.37 -0.05 0.00 -0.00 0.00 0.00 58.65 58.52 1r1j h GLN 175 Cb -0.11 0.07 -0.00 0.00 0.00 0.00 0.00 27.48 27.44 1r1j h GLN 175 CO -0.06 0.99 -0.13 0.87 0.00 0.00 0.00 178.83 180.51 1r1j h LYS 176 N 0.05 0.25 0.00 1.69 1.57 -0.63 -3.42 116.57 116.08 1r1j h LYS 176 Ca -0.02 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1r1j h LYS 176 Cb 1.06 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1r1j h LYS 176 CO 0.09 0.71 -0.82 0.66 -0.57 0.00 0.00 179.45 179.52 1r1j n TYR 177 N -4.62 0.00 0.35 -1.35 4.01 0.32 -4.75 117.16 111.12 1r1j n TYR 177 Ca -0.07 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.71 1r1j n TYR 177 Cb 0.36 0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.59 1r1j n TYR 177 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1r1j n GLY 178 N 2.97 -0.74 0.12 2.72 0.00 -0.61 -0.65 105.19 108.99 1r1j n GLY 178 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 1r1j n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r1j h ALA 179 N 2.35 0.50 0.06 4.61 0.00 -1.75 -3.36 119.26 121.66 1r1j h ALA 179 Ca 0.00 -1.37 -0.31 0.00 0.00 0.00 0.00 54.91 53.22 1r1j h ALA 179 Cb 0.13 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1r1j h ALA 179 CO 0.00 1.36 -1.74 0.66 0.00 0.00 0.00 179.25 179.52 1r1j h SER 180 N 0.05 0.18 -0.58 0.00 4.64 -1.73 -3.48 113.55 112.64 1r1j h SER 180 Ca -0.36 -0.37 -0.43 0.00 -0.47 0.00 0.00 61.79 60.15 1r1j h SER 180 Cb 2.03 -0.06 0.04 0.00 -0.31 0.00 0.00 62.40 64.10 1r1j h SER 180 CO 0.10 1.33 -0.10 1.87 -0.87 0.00 0.00 176.83 179.16 1r1j n TRP 181 N -3.25 0.11 -3.85 4.77 -0.00 0.17 -5.04 117.44 110.36 1r1j n TRP 181 Ca -0.21 0.60 -0.09 0.00 -0.00 0.00 0.00 57.50 57.80 1r1j n TRP 181 Cb 1.05 -1.19 -0.07 0.00 -0.00 0.00 0.00 31.31 31.09 1r1j n TRP 181 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1r1j s THR 182 N -0.23 0.13 0.27 5.87 -4.23 -1.26 -5.00 115.64 111.19 1r1j s THR 182 Ca 0.47 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1r1j s THR 182 Cb -0.66 -1.24 0.26 0.00 1.34 0.00 0.00 72.50 72.20 1r1j s THR 182 CO 0.33 -0.60 1.76 0.00 -0.54 0.00 0.00 174.62 175.57 1r1j h ALA 183 N 2.90 1.36 -0.67 3.99 0.00 -1.96 -0.39 119.26 124.48 1r1j h ALA 183 Ca -0.34 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1r1j h ALA 183 Cb 1.20 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1r1j h ALA 183 CO 0.54 -0.09 0.30 1.05 0.00 0.00 0.00 179.25 181.05 1r1j h GLU 184 N 0.64 0.98 0.08 0.00 9.09 -1.96 -0.75 114.58 122.66 1r1j h GLU 184 Ca 0.49 -0.16 -0.28 0.00 0.05 0.00 0.00 59.36 59.45 1r1j h GLU 184 Cb 0.71 -0.17 0.02 0.00 -1.65 0.00 0.00 28.75 27.67 1r1j h GLU 184 CO -0.37 0.80 -1.16 0.87 0.05 0.00 0.00 179.01 179.19 1r1j h LYS 185 N 0.94 0.62 -0.05 1.06 1.57 -1.62 -2.48 116.57 116.61 1r1j h LYS 185 Ca 0.23 -0.77 -0.08 0.00 -1.87 0.00 0.00 60.65 58.16 1r1j h LYS 185 Cb 0.16 0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1r1j h LYS 185 CO -0.02 1.34 -0.27 0.00 -0.57 0.00 0.00 179.45 179.92 1r1j h ALA 186 N 0.37 0.10 -0.83 3.86 0.00 -0.88 0.33 119.26 122.22 1r1j h ALA 186 Ca -0.16 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1r1j h ALA 186 Cb 1.83 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 1r1j h ALA 186 CO 0.22 0.13 0.48 0.82 0.00 0.00 0.00 179.25 180.90 1r1j h ILE 187 N -0.26 1.23 -0.17 0.00 2.04 -1.28 -2.33 117.51 116.75 1r1j h ILE 187 Ca -0.02 -0.53 -0.21 0.00 1.00 0.00 0.00 64.86 65.10 1r1j h ILE 187 Cb 0.93 0.08 0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1r1j h ILE 187 CO 0.06 0.25 -0.73 0.00 0.00 0.00 0.00 178.15 177.72 1r1j h ALA 188 N 1.39 0.37 0.36 1.87 0.00 -1.21 -0.78 119.26 121.25 1r1j h ALA 188 Ca 0.30 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1r1j h ALA 188 Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1r1j h ALA 188 CO -0.05 0.69 -0.17 1.96 0.00 0.00 0.00 179.25 181.67 1r1j h GLN 189 N 0.55 -0.46 -0.89 0.00 1.08 -0.23 0.31 115.11 115.47 1r1j h GLN 189 Ca -0.04 0.03 0.16 0.00 -1.45 0.00 0.00 58.65 57.36 1r1j h GLN 189 Cb 1.35 0.11 -0.10 0.00 -0.05 0.00 0.00 27.48 28.79 1r1j h GLN 189 CO 0.15 -0.28 0.47 -0.07 -0.95 0.00 0.00 178.83 178.16 1r1j h LEU 190 N -0.53 0.57 0.04 1.46 3.38 -1.41 -2.31 115.31 116.51 1r1j h LEU 190 Ca -0.05 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1r1j h LEU 190 Cb 0.40 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1r1j h LEU 190 CO 0.08 0.21 -0.02 -1.13 0.09 0.00 0.00 178.44 177.67 1r1j h ASN 191 N 0.64 -0.05 0.76 -0.43 -0.73 -0.52 -2.27 115.58 112.97 1r1j h ASN 191 Ca 0.50 -0.55 -0.22 0.00 1.87 0.00 0.00 56.30 57.90 1r1j h ASN 191 Cb 0.75 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.33 1r1j h ASN 191 CO -0.38 0.56 -1.00 0.77 -0.37 0.00 0.00 177.43 177.00 1r1j h SER 192 N -0.68 0.19 0.14 1.15 4.64 -0.24 -1.34 113.55 117.41 1r1j h SER 192 Ca -0.01 -0.18 -0.33 0.00 -0.47 0.00 0.00 61.79 60.80 1r1j h SER 192 Cb 0.60 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 62.57 1r1j h SER 192 CO 0.01 1.07 -2.19 1.17 -0.87 0.00 0.00 176.83 176.02 1r1j n LYS 193 N -3.52 0.67 0.00 4.77 3.00 -0.88 -4.46 118.16 117.74 1r1j n LYS 193 Ca -0.03 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1r1j n LYS 193 Cb 0.90 -1.59 0.00 0.00 0.00 0.00 0.00 35.03 34.34 1r1j n LYS 193 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1r1j n TYR 194 N -2.81 0.00 -1.35 5.64 4.01 -1.17 -3.46 117.16 118.03 1r1j n TYR 194 Ca -0.28 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.35 1r1j n TYR 194 Cb 1.11 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 40.09 1r1j n TYR 194 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1r1j n GLY 195 N 0.27 1.26 3.63 2.72 0.00 -0.50 -4.82 105.19 107.75 1r1j n GLY 195 Ca 0.00 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 1r1j n GLY 195 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r1j s LYS 196 N -2.90 4.11 -0.33 1.61 2.47 -0.88 -4.95 119.74 118.87 1r1j s LYS 196 Ca 0.00 0.36 -0.07 0.00 -1.56 0.00 0.00 55.97 54.70 1r1j s LYS 196 Cb 0.00 -3.62 0.03 0.00 -1.46 0.00 0.00 37.83 32.78 1r1j s LYS 196 CO 0.00 -0.28 0.10 0.15 0.16 0.00 0.00 175.35 175.48 1r1j s LYS 197 N 2.08 2.80 0.01 4.03 -0.14 -1.26 -2.66 119.74 124.59 1r1j s LYS 197 Ca 0.22 -1.06 0.08 0.00 -1.36 0.00 0.00 55.97 53.85 1r1j s LYS 197 Cb -0.16 -3.45 -0.02 0.00 -1.68 0.00 0.00 37.83 32.52 1r1j s LYS 197 CO 0.09 -0.59 -0.24 0.14 -0.76 0.00 0.00 175.35 173.99 1r1j s VAL 198 N 1.45 1.91 0.00 3.17 -7.23 -1.26 -4.56 120.40 113.88 1r1j s VAL 198 Ca 0.00 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 1r1j s VAL 198 Cb -0.19 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.15 1r1j s VAL 198 CO 0.03 0.44 0.00 0.18 -0.31 0.00 0.00 175.10 175.44 1r1j n LEU 199 N 2.22 0.00 -3.72 1.32 4.77 -1.26 -4.58 117.00 115.75 1r1j n LEU 199 Ca -0.16 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.55 1r1j n LEU 199 Cb 0.52 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.44 1r1j n LEU 199 CO 0.23 0.00 -0.36 -0.63 -1.33 0.00 0.00 177.39 175.30 1r1j s ILE 200 N 0.00 0.42 -0.51 -0.08 1.01 -1.26 -4.36 121.20 116.42 1r1j s ILE 200 Ca 0.00 -0.40 -0.23 0.00 0.00 0.00 0.00 60.65 60.02 1r1j s ILE 200 Cb 0.00 -0.89 0.04 0.00 0.01 0.00 0.00 42.46 41.62 1r1j s ILE 200 CO 0.00 -0.15 0.82 0.21 0.00 0.00 0.00 174.94 175.83 1r1j s ASN 201 N 1.91 6.34 -0.15 3.58 2.47 -0.52 -4.95 114.94 123.61 1r1j s ASN 201 Ca 0.00 -0.39 -0.02 0.00 0.42 0.00 0.00 52.86 52.88 1r1j s ASN 201 Cb -0.16 -2.39 -0.02 0.00 -1.45 0.00 0.00 41.25 37.23 1r1j s ASN 201 CO -0.08 -1.05 -0.08 -0.22 -3.72 0.00 0.00 177.10 171.95 1r1j s LEU 202 N 3.46 2.93 0.08 3.21 2.96 -1.26 -0.12 118.68 129.94 1r1j s LEU 202 Ca 0.27 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 53.86 1r1j s LEU 202 Cb -0.14 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 1r1j s LEU 202 CO 0.19 0.14 0.11 0.72 -1.32 0.00 0.00 176.35 176.18 1r1j s PHE 203 N 0.54 0.31 -0.28 5.38 -0.12 -0.99 -4.99 117.98 117.83 1r1j s PHE 203 Ca -0.06 -0.78 -0.14 0.00 -0.05 0.00 0.00 56.93 55.90 1r1j s PHE 203 Cb -0.15 -0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.01 1r1j s PHE 203 CO 0.03 -0.49 0.31 0.08 -0.05 0.00 0.00 175.22 175.11 1r1j s VAL 204 N -3.89 5.22 0.19 -2.49 1.01 -1.26 -0.62 120.40 118.56 1r1j s VAL 204 Ca 0.06 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.48 1r1j s VAL 204 Cb 0.06 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 1r1j s VAL 204 CO -0.10 0.17 0.13 0.61 0.00 0.00 0.00 175.10 175.91 1r1j n GLY 205 N 4.83 3.48 3.73 4.51 0.00 -0.99 -4.91 105.19 115.85 1r1j n GLY 205 Ca -0.10 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 1r1j n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r1j s THR 206 N -2.63 3.08 -0.15 2.61 2.01 -1.26 -1.21 115.64 118.09 1r1j s THR 206 Ca 0.19 0.86 -0.29 0.00 0.31 0.00 0.00 61.69 62.75 1r1j s THR 206 Cb 0.01 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 1r1j s THR 206 CO 0.13 0.11 1.30 -0.62 -0.69 0.00 0.00 174.62 174.86 1r1j s ASP 207 N 0.56 6.92 0.55 3.53 3.68 -0.50 -4.78 116.67 126.63 1r1j s ASP 207 Ca 0.60 1.76 0.23 0.00 2.13 0.00 0.00 52.55 57.27 1r1j s ASP 207 Cb -0.38 -2.54 1.55 0.00 -1.45 0.00 0.00 42.92 40.10 1r1j s ASP 207 CO 0.37 -0.77 2.20 0.44 0.13 0.00 0.00 175.17 177.53 1r1j h ASP 208 N 8.31 0.00 -0.01 -0.34 3.45 -1.91 -1.64 116.42 124.28 1r1j h ASP 208 Ca -0.28 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.18 1r1j h ASP 208 Cb 1.11 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.88 1r1j h ASP 208 CO 0.96 0.01 -0.20 0.29 -1.57 0.00 0.00 179.24 178.73 1r1j n LYS 209 N -4.15 1.78 -3.28 3.56 5.02 -1.26 0.87 118.16 120.71 1r1j n LYS 209 Ca -0.03 -1.45 -0.06 0.00 -2.02 0.00 0.00 58.31 54.75 1r1j n LYS 209 Cb 0.10 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 1r1j n LYS 209 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1r1j s ASN 210 N -2.21 -0.02 0.00 4.39 3.84 -0.62 -4.70 114.94 115.62 1r1j s ASN 210 Ca 0.25 -0.22 0.29 0.00 0.21 0.00 0.00 52.86 53.38 1r1j s ASN 210 Cb 0.19 1.29 1.45 0.00 -0.55 0.00 0.00 41.25 43.64 1r1j s ASN 210 CO 0.42 -0.34 1.96 -1.54 -2.79 0.00 0.00 177.10 174.81 1r1j n SER 211 N 5.37 0.69 0.00 -4.21 3.41 -1.22 -1.73 113.62 115.93 1r1j n SER 211 Ca 0.01 -1.27 0.12 0.00 -0.26 0.00 0.00 58.87 57.47 1r1j n SER 211 Cb 0.50 -0.01 0.18 0.00 -0.26 0.00 0.00 64.21 64.62 1r1j n SER 211 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1r1j n VAL 212 N -0.45 0.00 -4.36 -3.33 0.24 -1.26 -4.69 118.33 104.49 1r1j n VAL 212 Ca 0.21 -0.01 -0.24 0.00 -2.04 0.00 0.00 64.34 62.27 1r1j n VAL 212 Cb 0.22 0.39 -0.08 0.00 -1.47 0.00 0.00 33.84 32.89 1r1j n VAL 212 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1r1j s ASN 213 N -3.02 4.15 0.02 -1.34 0.01 -0.71 -0.90 114.94 113.16 1r1j s ASN 213 Ca 0.10 -0.85 -0.00 0.00 -0.71 0.00 0.00 52.86 51.40 1r1j s ASN 213 Cb 0.17 -0.60 -0.04 0.00 0.41 0.00 0.00 41.25 41.20 1r1j s ASN 213 CO 0.73 -0.04 0.10 -1.00 -1.51 0.00 0.00 177.10 175.38 1r1j s HIS 214 N -2.43 3.32 0.07 2.20 3.76 -1.26 -1.42 115.29 119.54 1r1j s HIS 214 Ca 0.32 0.21 0.02 0.00 -0.15 0.00 0.00 55.06 55.45 1r1j s HIS 214 Cb -0.04 -1.73 -0.03 0.00 1.11 0.00 0.00 32.58 31.88 1r1j s HIS 214 CO 0.18 0.56 -0.07 0.14 -0.85 0.00 0.00 174.74 174.70 1r1j s VAL 215 N -1.27 0.64 0.15 -0.90 -7.23 -0.35 -4.80 120.40 106.64 1r1j s VAL 215 Ca 0.26 -1.50 -0.31 0.00 -1.81 0.00 0.00 61.98 58.62 1r1j s VAL 215 Cb -0.12 -1.14 -0.08 0.00 0.56 0.00 0.00 36.38 35.59 1r1j s VAL 215 CO 0.17 -0.62 1.35 -0.63 -0.31 0.00 0.00 175.10 175.07 1r1j s ILE 216 N -2.46 3.27 0.13 -0.62 1.01 -1.26 -2.34 121.20 118.93 1r1j s ILE 216 Ca 0.01 0.97 0.08 0.00 0.00 0.00 0.00 60.65 61.71 1r1j s ILE 216 Cb -0.03 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1r1j s ILE 216 CO -0.02 0.11 -0.11 -1.00 0.00 0.00 0.00 174.94 173.92 1r1j s HIS 217 N 0.64 2.67 -0.11 3.97 3.76 0.21 -1.01 115.29 125.43 1r1j s HIS 217 Ca 0.61 -0.20 0.02 0.00 -0.15 0.00 0.00 55.06 55.34 1r1j s HIS 217 Cb -0.37 -1.37 0.01 0.00 1.11 0.00 0.00 32.58 31.97 1r1j s HIS 217 CO 0.34 0.45 -0.15 0.42 -0.85 0.00 0.00 174.74 174.94 1r1j s ILE 218 N -1.36 1.52 0.19 0.60 -1.09 0.42 -2.35 121.20 119.13 1r1j s ILE 218 Ca 0.22 -0.66 0.01 0.00 -2.23 0.00 0.00 60.65 57.99 1r1j s ILE 218 Cb -0.10 -1.39 -0.05 0.00 -1.58 0.00 0.00 42.46 39.34 1r1j s ILE 218 CO 0.14 0.45 0.05 -0.62 -1.23 0.00 0.00 174.94 173.72 1r1j s ASP 219 N 1.00 0.93 0.57 3.58 -1.08 0.83 -0.02 116.67 122.48 1r1j s ASP 219 Ca -0.06 -1.25 -0.19 0.00 -0.52 0.00 0.00 52.55 50.53 1r1j s ASP 219 Cb -0.15 0.19 -0.04 0.00 -1.46 0.00 0.00 42.92 41.46 1r1j s ASP 219 CO -0.02 -0.66 1.17 0.00 0.52 0.00 0.00 175.17 176.18 1r1j s GLN 220 N -3.99 3.14 0.52 4.34 -2.07 -1.26 -1.44 119.66 118.90 1r1j s GLN 220 Ca 0.29 1.71 -0.13 0.00 -1.82 0.00 0.00 55.36 55.41 1r1j s GLN 220 Cb 0.07 -1.96 -0.06 0.00 -1.09 0.00 0.00 33.01 29.96 1r1j s GLN 220 CO 0.06 -1.05 0.95 -1.25 -1.32 0.00 0.00 175.29 172.69 1r1j s PRO 221 N -3.34 3.80 0.79 9.60 0.04 -1.26 -4.61 135.00 140.01 1r1j s PRO 221 Ca 0.75 0.77 -0.11 0.00 0.04 0.00 0.00 61.00 62.45 1r1j s PRO 221 Cb -0.27 -2.18 0.07 0.00 0.04 0.00 0.00 34.50 32.16 1r1j s PRO 221 CO 0.30 -0.31 1.11 1.03 0.04 0.00 0.00 177.00 179.17 1r1j s ARG 222 N -4.39 2.07 0.43 4.56 0.52 -1.26 -5.00 118.95 115.89 1r1j s ARG 222 Ca 0.56 1.27 0.07 0.00 -0.52 0.00 0.00 55.73 57.11 1r1j s ARG 222 Cb -0.10 -1.87 -0.02 0.00 0.52 0.00 0.00 34.95 33.48 1r1j s ARG 222 CO 0.39 -1.80 0.34 -0.51 0.02 0.00 0.00 175.30 173.74 1r1j s LEU 223 N -5.94 3.26 0.14 2.53 1.43 -1.26 -4.90 118.68 113.93 1r1j s LEU 223 Ca 0.63 -0.87 0.10 0.00 -1.03 0.00 0.00 54.13 52.96 1r1j s LEU 223 Cb -0.19 -1.83 -0.14 0.00 0.03 0.00 0.00 46.19 44.07 1r1j s LEU 223 CO 0.55 -0.69 1.23 1.23 0.23 0.00 0.00 176.35 178.90 1r1j h GLY 224 N 1.07 0.00 -2.49 -3.19 0.00 -1.98 -3.44 103.07 93.05 1r1j h GLY 224 Ca -0.41 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.46 1r1j h GLY 224 CO 0.60 0.00 -0.16 1.08 0.00 0.00 0.00 176.54 178.06 1r1j s LEU 225 N -6.53 3.85 0.37 3.11 1.43 -1.26 -5.02 118.68 114.63 1r1j s LEU 225 Ca 0.01 0.33 0.08 0.00 -1.03 0.00 0.00 54.13 53.52 1r1j s LEU 225 Cb 0.09 -3.20 0.73 0.00 0.03 0.00 0.00 46.19 43.84 1r1j s LEU 225 CO 0.80 -0.49 1.90 -0.65 0.23 0.00 0.00 176.35 178.15 1r1j h PRO 226 N 0.61 0.31 -3.36 1.29 0.11 -1.98 -3.45 132.00 125.53 1r1j h PRO 226 Ca -0.48 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 65.49 1r1j h PRO 226 Cb 1.24 -0.04 -0.14 0.00 0.11 0.00 0.00 31.00 32.16 1r1j h PRO 226 CO 0.59 0.42 -0.14 -1.54 -0.21 0.00 0.00 178.00 177.12 1r1j s SER 227 N -6.84 -0.18 0.54 -2.05 1.04 -1.26 -4.91 113.70 100.04 1r1j s SER 227 Ca -0.06 -0.28 0.26 0.00 0.48 0.00 0.00 55.95 56.35 1r1j s SER 227 Cb 0.15 0.43 1.44 0.00 0.10 0.00 0.00 66.02 68.14 1r1j s SER 227 CO 0.74 -0.76 2.01 0.08 0.98 0.00 0.00 173.24 176.29 1r1j h ARG 228 N 2.68 0.00 -0.81 4.02 0.11 -1.90 -1.05 114.38 117.42 1r1j h ARG 228 Ca -0.33 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.78 1r1j h ARG 228 Cb 1.23 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.26 1r1j h ARG 228 CO 0.47 0.00 0.54 -0.44 0.10 0.00 0.00 179.97 180.64 1r1j h ASP 229 N 0.00 0.88 -0.28 0.08 5.19 -1.95 -2.58 116.42 117.75 1r1j h ASP 229 Ca 0.21 -0.01 0.08 0.00 -0.62 0.00 0.00 57.03 56.69 1r1j h ASP 229 Cb 0.89 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.18 1r1j h ASP 229 CO -0.00 0.61 0.26 1.88 -3.12 0.00 0.00 179.24 178.87 1r1j h TYR 230 N 1.02 0.00 -0.00 4.55 -1.99 -1.59 -2.11 116.97 116.85 1r1j h TYR 230 Ca 0.32 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.05 1r1j h TYR 230 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.74 1r1j h TYR 230 CO -0.00 0.00 -0.01 0.66 -0.00 0.00 0.00 178.16 178.81 1r1j n TYR 231 N -3.99 0.00 -0.16 4.88 4.02 -0.97 -0.87 117.16 120.08 1r1j n TYR 231 Ca 0.04 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.92 1r1j n TYR 231 Cb 0.42 -0.10 0.24 0.00 -0.02 0.00 0.00 39.34 39.87 1r1j n TYR 231 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1r1j h GLU 232 N 0.18 0.88 -1.20 -0.72 5.08 -1.57 -3.46 114.58 113.75 1r1j h GLU 232 Ca 0.00 -0.11 -0.31 0.00 -1.00 0.00 0.00 59.36 57.94 1r1j h GLU 232 Cb 0.15 -0.17 -0.09 0.00 0.50 0.00 0.00 28.75 29.14 1r1j h GLU 232 CO 0.00 0.67 -0.32 0.00 -1.00 0.00 0.00 179.01 178.36 1r1j s THR 234 N -2.63 2.96 0.00 0.00 -4.23 -1.26 -4.14 115.64 106.33 1r1j s THR 234 Ca 0.00 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1r1j s THR 234 Cb 0.00 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1r1j s THR 234 CO 0.00 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 1r1j n GLY 235 N -0.13 3.82 0.00 3.99 0.00 -1.26 -1.00 105.19 110.60 1r1j n GLY 235 Ca -0.10 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 45.95 1r1j n GLY 235 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1r1j n ILE 236 N 0.00 1.03 0.64 -0.61 -5.35 -1.26 -2.09 119.36 111.73 1r1j n ILE 236 Ca 0.00 0.26 0.07 0.00 -0.27 0.00 0.00 62.75 62.80 1r1j n ILE 236 Cb 0.00 -1.16 -0.05 0.00 -1.74 0.00 0.00 39.64 36.69 1r1j n ILE 236 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1r1j n TYR 237 N -1.32 0.00 -0.12 4.28 4.01 -0.17 -4.69 117.16 119.14 1r1j n TYR 237 Ca 0.03 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.66 1r1j n TYR 237 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.06 1r1j n TYR 237 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1r1j h LYS 238 N 0.52 0.68 -0.30 -0.72 3.64 -1.49 -1.87 116.57 117.02 1r1j h LYS 238 Ca 0.00 -0.24 -0.14 0.00 -1.27 0.00 0.00 60.65 59.00 1r1j h LYS 238 Cb 0.38 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1r1j h LYS 238 CO 0.00 0.82 -0.37 1.49 -2.27 0.00 0.00 179.45 179.12 1r1j h GLU 239 N 0.48 0.69 -0.80 1.90 4.57 -1.84 -0.38 114.58 119.20 1r1j h GLU 239 Ca 0.10 -0.34 -0.03 0.00 -1.18 0.00 0.00 59.36 57.90 1r1j h GLU 239 Cb 0.55 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.10 1r1j h GLU 239 CO 0.03 0.95 0.37 0.00 -1.18 0.00 0.00 179.01 179.18 1r1j h ALA 240 N 1.01 1.14 -0.38 2.92 0.00 -1.80 0.10 119.26 122.26 1r1j h ALA 240 Ca 0.05 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1r1j h ALA 240 Cb 0.89 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1r1j h ALA 240 CO 0.08 0.64 -0.23 0.00 0.00 0.00 0.00 179.25 179.75 1r1j h THR 242 N 0.62 1.32 -0.73 0.00 2.02 -0.83 -2.81 112.91 112.51 1r1j h THR 242 Ca 0.08 -1.05 0.05 0.00 0.77 0.00 0.00 66.41 66.26 1r1j h THR 242 Cb 0.79 1.86 -0.04 0.00 -1.74 0.00 0.00 68.15 69.02 1r1j h THR 242 CO 0.06 0.29 0.48 0.00 0.37 0.00 0.00 175.52 176.73 1r1j h ALA 243 N 0.63 1.63 -0.15 6.16 0.00 -0.79 -1.26 119.26 125.47 1r1j h ALA 243 Ca 0.02 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1r1j h ALA 243 Cb 0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1r1j h ALA 243 CO 0.01 0.28 -0.00 -0.92 0.00 0.00 0.00 179.25 178.62 1r1j h TYR 244 N 0.83 -0.01 0.02 0.00 -0.00 -0.92 0.23 116.97 117.12 1r1j h TYR 244 Ca 0.30 0.01 -0.23 0.00 -0.00 0.00 0.00 58.73 58.81 1r1j h TYR 244 Cb 0.15 0.03 0.00 0.00 -0.00 0.00 0.00 36.73 36.90 1r1j h TYR 244 CO -0.00 -0.02 -0.98 0.28 -0.00 0.00 0.00 178.16 177.44 1r1j h VAL 245 N 0.05 1.44 -0.23 1.81 2.07 -1.24 -1.48 116.25 118.67 1r1j h VAL 245 Ca 0.07 -2.59 -0.01 0.00 0.82 0.00 0.00 66.70 64.99 1r1j h VAL 245 Cb 0.08 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1r1j h VAL 245 CO -0.12 0.77 0.10 0.44 0.02 0.00 0.00 177.57 178.77 1r1j h ASP 246 N 0.18 0.28 0.24 0.57 3.32 -1.15 -0.14 116.42 119.70 1r1j h ASP 246 Ca -0.08 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1r1j h ASP 246 Cb 1.63 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.11 1r1j h ASP 246 CO 0.16 0.25 -0.11 0.15 -1.72 0.00 0.00 179.24 177.97 1r1j h PHE 247 N 0.32 -0.29 -0.89 4.55 -0.00 -0.02 0.14 116.94 120.74 1r1j h PHE 247 Ca 0.08 -0.01 0.15 0.00 -0.00 0.00 0.00 57.97 58.20 1r1j h PHE 247 Cb 0.06 0.10 -0.15 0.00 -0.00 0.00 0.00 35.95 35.95 1r1j h PHE 247 CO 0.00 0.04 -0.33 0.52 -0.00 0.00 0.00 178.31 178.54 1r1j h MET 248 N -0.66 -0.03 -0.43 1.11 2.86 -1.08 -1.01 114.93 115.68 1r1j h MET 248 Ca -0.03 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.48 1r1j h MET 248 Cb 0.47 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1r1j h MET 248 CO 0.05 -0.02 -0.22 0.82 1.06 0.00 0.00 176.91 178.60 1r1j h ILE 249 N -0.03 1.27 -0.53 -1.22 2.04 -0.82 -1.19 117.51 117.03 1r1j h ILE 249 Ca 0.35 -1.38 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 1r1j h ILE 249 Cb 0.61 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1r1j h ILE 249 CO -0.91 0.47 0.16 0.28 0.00 0.00 0.00 178.15 178.15 1r1j h SER 250 N 0.74 0.73 0.10 1.72 0.02 -0.07 -1.62 113.55 115.17 1r1j h SER 250 Ca 0.09 -0.11 -0.25 0.00 -0.84 0.00 0.00 61.79 60.69 1r1j h SER 250 Cb 0.80 -0.19 0.02 0.00 0.14 0.00 0.00 62.40 63.17 1r1j h SER 250 CO 0.07 0.69 -1.03 0.58 -1.14 0.00 0.00 176.83 176.00 1r1j h VAL 251 N 0.77 1.35 0.00 2.27 2.07 -0.77 -2.60 116.25 119.34 1r1j h VAL 251 Ca 0.18 -2.39 -0.01 0.00 0.82 0.00 0.00 66.70 65.30 1r1j h VAL 251 Cb 0.23 2.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1r1j h VAL 251 CO -0.01 0.71 -0.05 0.00 0.02 0.00 0.00 177.57 178.25 1r1j h ALA 252 N 0.25 1.85 -0.01 1.67 0.00 -1.09 -2.37 119.26 119.57 1r1j h ALA 252 Ca -0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1r1j h ALA 252 Cb 1.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1r1j h ALA 252 CO 0.20 0.06 -0.02 -0.09 0.00 0.00 0.00 179.25 179.39 1r1j h ARG 253 N 0.00 0.03 -0.51 0.00 2.43 -1.14 -2.04 114.38 113.15 1r1j h ARG 253 Ca -0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1r1j h ARG 253 Cb 0.08 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1r1j h ARG 253 CO 0.01 0.62 0.28 -0.07 -1.51 0.00 0.00 179.97 179.30 1r1j h LEU 254 N -0.56 0.63 -0.29 3.80 3.38 -1.29 0.53 115.31 121.51 1r1j h LEU 254 Ca -0.00 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1r1j h LEU 254 Cb 0.62 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1r1j h LEU 254 CO 0.00 0.54 0.06 0.40 0.09 0.00 0.00 178.44 179.54 1r1j h ILE 255 N 0.67 0.87 -0.61 1.22 2.04 -1.48 0.21 117.51 120.43 1r1j h ILE 255 Ca 0.18 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 66.00 1r1j h ILE 255 Cb 0.05 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1r1j h ILE 255 CO -0.03 0.03 0.38 0.03 0.00 0.00 0.00 178.15 178.56 1r1j h ARG 256 N 0.18 0.72 -0.64 2.37 3.08 -0.83 -0.85 114.38 118.40 1r1j h ARG 256 Ca 0.14 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 1r1j h ARG 256 Cb 0.14 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1r1j h ARG 256 CO -0.17 0.48 0.10 1.96 -1.07 0.00 0.00 179.97 181.26 1r1j h GLN 257 N 0.74 1.07 -0.15 0.04 4.20 -0.43 0.20 115.11 120.79 1r1j h GLN 257 Ca 0.24 -0.29 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 1r1j h GLN 257 Cb 0.01 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1r1j h GLN 257 CO -0.10 0.99 -0.43 1.49 -0.67 0.00 0.00 178.83 180.11 1r1j h GLU 258 N 0.99 0.35 -0.02 1.46 4.81 -0.56 0.09 114.58 121.70 1r1j h GLU 258 Ca 0.20 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1r1j h GLU 258 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1r1j h GLU 258 CO 0.01 0.72 0.00 0.39 -0.73 0.00 0.00 179.01 179.40 1r1j n GLU 259 N -4.01 1.10 -3.80 1.92 -0.58 -0.36 -4.91 120.64 110.00 1r1j n GLU 259 Ca -0.02 -0.14 -0.29 0.00 -0.42 0.00 0.00 57.16 56.29 1r1j n GLU 259 Cb 0.51 -1.37 0.02 0.00 -0.57 0.00 0.00 31.44 30.03 1r1j n GLU 259 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1r1j n ARG 260 N -0.71 -2.27 -4.07 3.49 3.00 0.02 -5.00 116.66 111.12 1r1j n ARG 260 Ca 0.17 0.44 -0.22 0.00 -0.01 0.00 0.00 57.85 58.23 1r1j n ARG 260 Cb 0.11 -4.30 -0.04 0.00 0.00 0.00 0.00 32.46 28.23 1r1j n ARG 260 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1r1j s LEU 261 N -6.71 3.72 0.31 0.55 1.43 0.61 -5.02 118.68 113.58 1r1j s LEU 261 Ca 0.26 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 52.74 1r1j s LEU 261 Cb -0.10 -2.27 -0.10 0.00 0.03 0.00 0.00 46.19 43.76 1r1j s LEU 261 CO 0.87 -0.10 1.19 -2.16 0.23 0.00 0.00 176.35 176.38 1r1j s PRO 262 N -3.86 4.47 -0.27 1.29 0.04 -1.26 -4.53 135.00 130.88 1r1j s PRO 262 Ca 0.34 1.98 -0.04 0.00 0.04 0.00 0.00 61.00 63.32 1r1j s PRO 262 Cb -0.07 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.39 1r1j s PRO 262 CO 0.25 -0.00 0.01 0.42 0.04 0.00 0.00 177.00 177.71 1r1j s ILE 263 N -1.18 3.44 -0.40 0.56 1.09 -1.26 -5.02 121.20 118.44 1r1j s ILE 263 Ca 0.47 -0.80 -0.04 0.00 -1.10 0.00 0.00 60.65 59.18 1r1j s ILE 263 Cb -0.35 -2.74 0.10 0.00 -1.06 0.00 0.00 42.46 38.41 1r1j s ILE 263 CO 0.46 0.17 0.19 -0.62 -0.10 0.00 0.00 174.94 175.04 1r1j s ASP 264 N 1.42 5.29 0.49 3.58 -1.08 -1.26 -4.98 116.67 120.14 1r1j s ASP 264 Ca 0.02 -1.85 0.19 0.00 -0.52 0.00 0.00 52.55 50.39 1r1j s ASP 264 Cb -0.17 -1.85 1.22 0.00 -1.46 0.00 0.00 42.92 40.67 1r1j s ASP 264 CO -0.01 -0.52 2.02 -0.33 0.52 0.00 0.00 175.17 176.86 1r1j h GLU 265 N 8.12 0.16 -0.31 4.34 4.39 -2.00 -2.12 114.58 127.16 1r1j h GLU 265 Ca -0.16 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.38 1r1j h GLU 265 Cb 1.06 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 1r1j h GLU 265 CO 0.70 0.11 -0.41 -0.97 -1.16 0.00 0.00 179.01 177.27 1r1j h ASN 266 N 0.16 0.83 1.44 1.42 -0.73 -1.99 -1.52 115.58 115.18 1r1j h ASN 266 Ca 0.21 -0.38 -0.11 0.00 1.87 0.00 0.00 56.30 57.88 1r1j h ASN 266 Cb 0.60 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.94 1r1j h ASN 266 CO -0.03 1.13 -0.57 -0.61 -0.37 0.00 0.00 177.43 176.98 1r1j h GLN 267 N 0.63 0.00 0.71 6.67 5.75 -1.82 -2.07 115.11 124.98 1r1j h GLN 267 Ca 0.05 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 1r1j h GLN 267 Cb 0.97 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.53 1r1j h GLN 267 CO 0.09 0.49 -0.34 -0.07 -2.65 0.00 0.00 178.83 176.35 1r1j h LEU 268 N 0.00 -0.81 -1.63 -2.39 3.38 -1.40 -0.97 115.31 111.49 1r1j h LEU 268 Ca -0.02 0.03 0.39 0.00 0.09 0.00 0.00 57.88 58.38 1r1j h LEU 268 Cb 1.40 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 42.27 1r1j h LEU 268 CO 0.06 -0.50 0.90 0.00 0.09 0.00 0.00 178.44 178.99 1r1j h ALA 269 N -1.40 2.88 0.21 1.53 0.00 -1.31 -0.90 119.26 120.26 1r1j h ALA 269 Ca -0.10 0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.53 1r1j h ALA 269 Cb 0.73 0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.67 1r1j h ALA 269 CO 0.16 -1.38 -1.52 1.25 0.00 0.00 0.00 179.25 177.76 1r1j h LEU 270 N 0.12 0.69 -0.33 0.00 5.85 -1.19 -2.25 115.31 118.20 1r1j h LEU 270 Ca 0.72 -0.93 -0.20 0.00 0.84 0.00 0.00 57.88 58.32 1r1j h LEU 270 Cb 2.43 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 43.24 1r1j h LEU 270 CO -0.23 1.71 -0.73 -0.33 -0.34 0.00 0.00 178.44 178.52 1r1j h GLU 271 N 0.04 0.57 0.02 1.25 5.08 -0.65 -2.68 114.58 118.20 1r1j h GLU 271 Ca -0.29 -0.45 -0.21 0.00 -1.00 0.00 0.00 59.36 57.42 1r1j h GLU 271 Cb 2.06 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.39 1r1j h GLU 271 CO 0.21 1.07 -0.92 0.52 -1.00 0.00 0.00 179.01 178.89 1r1j h MET 272 N 0.39 0.18 -0.42 2.33 2.86 -1.25 -0.73 114.93 118.29 1r1j h MET 272 Ca -0.03 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.31 1r1j h MET 272 Cb 1.32 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 33.03 1r1j h MET 272 CO 0.14 0.98 -0.09 -0.91 1.06 0.00 0.00 176.91 178.09 1r1j h ASN 273 N 0.09 0.72 -0.32 1.22 2.35 -1.48 -1.92 115.58 116.24 1r1j h ASN 273 Ca -0.05 -0.20 0.05 0.00 -0.55 0.00 0.00 56.30 55.55 1r1j h ASN 273 Cb 1.58 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 39.70 1r1j h ASN 273 CO 0.14 0.84 0.02 0.50 -1.65 0.00 0.00 177.43 177.28 1r1j h LYS 274 N 0.67 0.11 -0.75 0.81 1.63 -1.02 -1.03 116.57 117.00 1r1j h LYS 274 Ca 0.12 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.92 1r1j h LYS 274 Cb 0.54 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.11 1r1j h LYS 274 CO 0.03 0.07 0.49 -0.24 -3.45 0.00 0.00 179.45 176.36 1r1j h VAL 275 N 0.11 1.18 -0.73 2.00 3.04 -0.75 -0.73 116.25 120.38 1r1j h VAL 275 Ca 0.15 -0.34 0.04 0.00 -1.01 0.00 0.00 66.70 65.54 1r1j h VAL 275 Cb 0.20 0.09 -0.05 0.00 -2.01 0.00 0.00 31.29 29.52 1r1j h VAL 275 CO -0.24 0.18 0.45 -0.03 -1.01 0.00 0.00 177.57 176.92 1r1j h MET 276 N 1.00 0.83 -0.45 4.17 1.85 -0.95 -1.63 114.93 119.76 1r1j h MET 276 Ca 0.28 -0.05 -0.11 0.00 -0.61 0.00 0.00 59.70 59.21 1r1j h MET 276 Cb -0.10 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 31.73 1r1j h MET 276 CO -0.07 0.55 -0.16 0.93 -0.40 0.00 0.00 176.91 177.77 1r1j h GLU 277 N 0.86 0.85 -0.33 0.39 4.39 -0.29 0.36 114.58 120.81 1r1j h GLU 277 Ca 0.31 -0.31 0.07 0.00 0.34 0.00 0.00 59.36 59.76 1r1j h GLU 277 Cb 0.08 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.61 1r1j h GLU 277 CO -0.14 0.94 -0.08 1.25 -1.16 0.00 0.00 179.01 179.82 1r1j h LEU 278 N 0.75 -0.31 0.03 1.33 6.46 -0.75 -2.61 115.31 120.22 1r1j h LEU 278 Ca 0.11 0.10 -0.27 0.00 -0.12 0.00 0.00 57.88 57.70 1r1j h LEU 278 Cb 0.67 0.21 0.01 0.00 -0.73 0.00 0.00 40.66 40.82 1r1j h LEU 278 CO 0.05 -0.11 -1.16 -0.08 -0.62 0.00 0.00 178.44 176.52 1r1j h GLU 279 N -0.00 0.44 -0.84 1.25 4.81 -0.81 -1.38 114.58 118.05 1r1j h GLU 279 Ca 0.16 -0.60 0.16 0.00 -0.13 0.00 0.00 59.36 58.94 1r1j h GLU 279 Cb 0.24 0.20 -0.15 0.00 0.63 0.00 0.00 28.75 29.67 1r1j h GLU 279 CO -0.34 1.25 -0.27 0.87 -0.73 0.00 0.00 179.01 179.78 1r1j h LYS 280 N 0.19 -0.03 -0.12 1.92 1.57 -0.93 1.29 116.57 120.47 1r1j h LYS 280 Ca -0.14 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1r1j h LYS 280 Cb 1.84 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.15 1r1j h LYS 280 CO 0.21 -0.02 0.05 0.93 -0.57 0.00 0.00 179.45 180.05 1r1j h GLU 281 N -0.03 0.17 -0.46 3.15 5.08 -1.01 0.18 114.58 121.65 1r1j h GLU 281 Ca 0.36 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.78 1r1j h GLU 281 Cb 0.61 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.76 1r1j h GLU 281 CO -0.87 0.24 0.05 0.82 -1.00 0.00 0.00 179.01 178.25 1r1j h ILE 282 N 0.06 0.69 0.06 3.13 5.03 -0.25 -1.04 117.51 125.19 1r1j h ILE 282 Ca 0.04 -0.06 0.02 0.00 -0.12 0.00 0.00 64.86 64.74 1r1j h ILE 282 Cb 0.13 0.51 -0.03 0.00 -3.03 0.00 0.00 36.82 34.40 1r1j h ILE 282 CO -0.00 0.03 -0.20 0.00 -0.68 0.00 0.00 178.15 177.30 1r1j h ALA 283 N 1.38 -0.30 0.00 1.87 0.00 0.21 -1.73 119.26 120.69 1r1j h ALA 283 Ca 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1r1j h ALA 283 Cb 0.32 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1r1j h ALA 283 CO -0.34 -0.71 -0.12 -0.97 0.00 0.00 0.00 179.25 177.11 1r1j h ASN 284 N -0.35 0.00 1.18 0.00 -0.00 -0.66 -1.33 115.58 114.42 1r1j h ASN 284 Ca 0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 56.30 56.26 1r1j h ASN 284 Cb 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.71 1r1j h ASN 284 CO -0.15 0.12 -0.40 0.00 -0.00 0.00 0.00 177.43 177.00 1r1j h ALA 285 N 1.88 0.85 -2.44 1.57 0.00 -0.36 -3.46 119.26 117.30 1r1j h ALA 285 Ca -0.00 -0.36 -0.52 0.00 0.00 0.00 0.00 54.91 54.03 1r1j h ALA 285 Cb 0.26 -0.06 0.13 0.00 0.00 0.00 0.00 17.79 18.11 1r1j h ALA 285 CO 0.02 0.50 0.35 0.95 0.00 0.00 0.00 179.25 181.06 1r1j s THR 286 N -3.30 3.02 0.09 0.00 -4.23 -0.50 -4.44 115.64 106.27 1r1j s THR 286 Ca 0.02 0.43 -0.22 0.00 -1.18 0.00 0.00 61.69 60.74 1r1j s THR 286 Cb 0.09 -2.90 -0.07 0.00 1.34 0.00 0.00 72.50 70.96 1r1j s THR 286 CO 0.70 -0.34 0.65 0.00 -0.54 0.00 0.00 174.62 175.09 1r1j s ALA 287 N -2.46 3.52 0.77 3.99 0.00 -1.26 -5.03 121.76 121.28 1r1j s ALA 287 Ca 0.67 0.15 -0.15 0.00 0.00 0.00 0.00 51.96 52.63 1r1j s ALA 287 Cb -0.21 -2.77 0.05 0.00 0.00 0.00 0.00 23.12 20.18 1r1j s ALA 287 CO 0.47 0.31 1.12 1.63 0.00 0.00 0.00 175.76 179.29 1r1j n LYS 288 N 1.90 0.39 -0.34 0.00 5.02 -1.26 -4.89 118.16 118.98 1r1j n LYS 288 Ca -0.08 0.20 0.15 0.00 -2.02 0.00 0.00 58.31 56.56 1r1j n LYS 288 Cb 0.50 -2.37 0.36 0.00 -0.02 0.00 0.00 35.03 33.50 1r1j n LYS 288 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1r1j h PRO 289 N -0.54 0.67 0.00 1.97 0.11 -1.97 -2.33 132.00 129.91 1r1j h PRO 289 Ca -0.47 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 1r1j h PRO 289 Cb 1.31 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1r1j h PRO 289 CO 0.47 0.44 -0.32 0.93 -0.21 0.00 0.00 178.00 179.31 1r1j h GLU 290 N 0.69 0.00 -0.21 1.05 3.07 -1.97 -1.21 114.58 116.00 1r1j h GLU 290 Ca 0.57 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.43 1r1j h GLU 290 Cb 0.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1r1j h GLU 290 CO -0.36 0.32 0.00 -0.25 -1.40 0.00 0.00 179.01 177.32 1r1j n ASP 291 N -3.63 1.38 0.00 1.42 8.00 -0.88 -4.01 116.55 118.83 1r1j n ASP 291 Ca -0.01 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.65 1r1j n ASP 291 Cb 0.44 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1r1j n ASP 291 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1r1j n ARG 292 N 0.20 1.50 -0.01 -1.24 1.74 -0.47 -4.75 116.66 113.63 1r1j n ARG 292 Ca 0.12 -1.03 0.13 0.00 -0.77 0.00 0.00 57.85 56.30 1r1j n ARG 292 Cb 0.25 -0.88 0.33 0.00 -1.02 0.00 0.00 32.46 31.14 1r1j n ARG 292 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1r1j n ASN 293 N -0.28 2.21 -4.22 0.55 6.94 -1.18 -4.65 115.26 114.64 1r1j n ASN 293 Ca 0.00 -1.74 -0.38 0.00 -0.02 0.00 0.00 54.58 52.44 1r1j n ASN 293 Cb 0.25 -0.02 -0.11 0.00 -2.36 0.00 0.00 39.78 37.54 1r1j n ASN 293 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1r1j s ASP 294 N -1.95 5.35 0.57 0.53 -1.08 -1.26 -4.64 116.67 114.19 1r1j s ASP 294 Ca 0.34 -1.52 0.35 0.00 -0.52 0.00 0.00 52.55 51.19 1r1j s ASP 294 Cb 0.20 -1.88 1.58 0.00 -1.46 0.00 0.00 42.92 41.37 1r1j s ASP 294 CO 0.32 -0.45 2.07 1.55 0.52 0.00 0.00 175.17 179.17 1r1j h PRO 295 N 8.21 0.00 -0.08 4.34 0.13 -1.88 -0.12 132.00 142.60 1r1j h PRO 295 Ca -0.20 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.75 1r1j h PRO 295 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1r1j h PRO 295 CO 0.67 0.02 -0.72 0.52 -0.23 0.00 0.00 178.00 178.26 1r1j h MET 296 N 0.00 0.40 0.03 0.86 2.86 -1.93 -2.55 114.93 114.61 1r1j h MET 296 Ca -0.00 -0.33 -0.25 0.00 -2.06 0.00 0.00 59.70 57.07 1r1j h MET 296 Cb 0.41 0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.14 1r1j h MET 296 CO 0.00 0.96 -1.03 -0.07 1.06 0.00 0.00 176.91 177.83 1r1j h LEU 297 N 0.28 0.60 -1.19 1.22 3.38 -1.71 -3.27 115.31 114.62 1r1j h LEU 297 Ca -0.03 -0.51 -0.08 0.00 0.09 0.00 0.00 57.88 57.35 1r1j h LEU 297 Cb 1.29 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1r1j h LEU 297 CO 0.12 1.32 -0.32 -0.07 0.09 0.00 0.00 178.44 179.58 1r1j h LEU 298 N 0.23 0.13 -8.36 1.67 3.38 -1.08 -3.40 115.31 107.88 1r1j h LEU 298 Ca -0.11 -0.04 -0.54 0.00 0.09 0.00 0.00 57.88 57.28 1r1j h LEU 298 Cb 1.69 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 42.32 1r1j h LEU 298 CO 0.18 0.46 1.07 -0.47 0.09 0.00 0.00 178.44 179.77 1r1j s TYR 299 N -4.31 2.26 -0.42 1.13 6.14 -0.96 -4.28 117.35 116.91 1r1j s TYR 299 Ca -0.04 -0.03 0.03 0.00 0.64 0.00 0.00 57.07 57.68 1r1j s TYR 299 Cb 0.14 -4.62 0.12 0.00 0.42 0.00 0.00 41.96 38.02 1r1j s TYR 299 CO 0.74 -2.09 0.16 -0.80 0.64 0.00 0.00 175.55 174.20 1r1j s ASN 300 N 3.85 4.40 0.02 4.32 0.01 -1.22 -4.97 114.94 121.35 1r1j s ASN 300 Ca 0.36 -2.49 -0.27 0.00 -0.71 0.00 0.00 52.86 49.75 1r1j s ASN 300 Cb -0.08 -1.50 -0.05 0.00 0.41 0.00 0.00 41.25 40.04 1r1j s ASN 300 CO 0.15 -0.31 0.84 -0.75 -1.51 0.00 0.00 177.10 175.52 1r1j s LYS 301 N 0.44 4.54 -0.05 -0.60 2.20 -1.26 -1.47 119.74 123.55 1r1j s LYS 301 Ca 0.14 1.18 -0.09 0.00 -0.36 0.00 0.00 55.97 56.84 1r1j s LYS 301 Cb -0.22 -3.41 0.02 0.00 -1.51 0.00 0.00 37.83 32.71 1r1j s LYS 301 CO -0.06 0.14 0.23 1.41 -0.36 0.00 0.00 175.35 176.71 1r1j s MET 302 N 0.39 0.42 0.26 4.03 1.75 0.10 -4.94 119.30 121.31 1r1j s MET 302 Ca 0.43 0.02 -0.29 0.00 -1.25 0.00 0.00 55.69 54.60 1r1j s MET 302 Cb -0.21 0.19 -0.09 0.00 2.84 0.00 0.00 34.83 37.56 1r1j s MET 302 CO 0.24 -0.09 0.95 0.95 -0.65 0.00 0.00 175.02 176.43 1r1j s THR 303 N -0.60 4.04 0.57 10.11 -4.23 -1.26 0.19 115.64 124.46 1r1j s THR 303 Ca -0.07 2.00 0.40 0.00 -1.18 0.00 0.00 61.69 62.84 1r1j s THR 303 Cb -0.04 -4.25 0.59 0.00 1.34 0.00 0.00 72.50 70.13 1r1j s THR 303 CO 0.01 0.44 1.59 -0.07 -0.54 0.00 0.00 174.62 176.05 1r1j h LEU 304 N 3.98 0.00 -0.06 4.79 3.38 -1.16 0.36 115.31 126.60 1r1j h LEU 304 Ca -0.45 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.39 1r1j h LEU 304 Cb 1.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.96 1r1j h LEU 304 CO 0.67 0.00 -0.47 0.00 0.09 0.00 0.00 178.44 178.73 1r1j h ALA 305 N 1.02 0.13 -0.74 1.53 0.00 -1.58 -1.09 119.26 118.53 1r1j h ALA 305 Ca 0.69 -0.51 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1r1j h ALA 305 Cb 3.01 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 20.74 1r1j h ALA 305 CO -0.01 0.30 0.41 1.96 0.00 0.00 0.00 179.25 181.92 1r1j h GLN 306 N -0.06 0.71 -0.49 0.00 4.20 -0.68 -2.57 115.11 116.23 1r1j h GLN 306 Ca -0.04 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1r1j h GLN 306 Cb 1.14 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 1r1j h GLN 306 CO 0.10 0.47 0.30 0.82 -0.67 0.00 0.00 178.83 179.84 1r1j h ILE 307 N 0.73 1.15 -0.42 2.54 2.04 -0.74 0.10 117.51 122.91 1r1j h ILE 307 Ca 0.35 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1r1j h ILE 307 Cb 0.27 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1r1j h ILE 307 CO -0.22 0.15 0.23 -0.61 0.00 0.00 0.00 178.15 177.70 1r1j h GLN 308 N 0.65 0.57 0.07 2.37 5.75 -0.97 -0.15 115.11 123.41 1r1j h GLN 308 Ca 0.18 -0.05 -0.25 0.00 -0.15 0.00 0.00 58.65 58.37 1r1j h GLN 308 Cb -0.02 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 1r1j h GLN 308 CO -0.03 0.42 -1.19 -0.91 -2.65 0.00 0.00 178.83 174.47 1r1j h ASN 309 N 0.58 0.24 0.09 -0.69 4.21 -0.89 -3.36 115.58 115.75 1r1j h ASN 309 Ca 0.15 -0.26 0.00 0.00 1.21 0.00 0.00 56.30 57.40 1r1j h ASN 309 Cb 0.02 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.14 1r1j h ASN 309 CO -0.03 1.21 -1.69 0.59 -1.29 0.00 0.00 177.43 176.22 1r1j n ASN 310 N -3.43 0.28 -3.14 5.81 3.02 -0.07 -4.61 115.26 113.11 1r1j n ASN 310 Ca -0.06 -0.18 -0.21 0.00 -0.03 0.00 0.00 54.58 54.10 1r1j n ASN 310 Cb 0.99 1.64 -0.04 0.00 -0.61 0.00 0.00 39.78 41.77 1r1j n ASN 310 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1r1j n PHE 311 N -2.12 1.13 -2.22 3.10 3.72 -0.09 -4.92 117.46 116.06 1r1j n PHE 311 Ca -0.02 -3.85 -0.38 0.00 -0.05 0.00 0.00 57.45 53.15 1r1j n PHE 311 Cb 0.51 -0.43 -0.01 0.00 -0.94 0.00 0.00 39.48 38.61 1r1j n PHE 311 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1r1j s SER 312 N -2.54 6.35 0.09 4.37 1.04 -1.26 -4.81 113.70 116.95 1r1j s SER 312 Ca 0.41 2.41 0.05 0.00 0.48 0.00 0.00 55.95 59.31 1r1j s SER 312 Cb 0.31 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.78 1r1j s SER 312 CO -0.09 -0.80 -0.13 -0.76 0.98 0.00 0.00 173.24 172.44 1r1j s LEU 313 N -2.64 2.34 -0.31 2.42 1.43 -1.26 -4.76 118.68 115.90 1r1j s LEU 313 Ca 0.59 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1r1j s LEU 313 Cb -0.32 -0.46 0.09 0.00 0.03 0.00 0.00 46.19 45.53 1r1j s LEU 313 CO 0.40 -0.14 0.06 -0.70 0.23 0.00 0.00 176.35 176.20 1r1j s GLU 314 N -2.22 1.16 -0.14 1.70 2.12 -1.26 -0.42 118.70 119.63 1r1j s GLU 314 Ca 0.02 -1.41 -0.03 0.00 0.36 0.00 0.00 54.97 53.92 1r1j s GLU 314 Cb -0.07 -2.59 -0.03 0.00 0.26 0.00 0.00 34.13 31.70 1r1j s GLU 314 CO 0.02 -0.91 -0.05 0.42 -0.54 0.00 0.00 175.26 174.19 1r1j s ILE 315 N 1.28 3.79 -0.76 -3.70 1.01 -1.26 -3.87 121.20 117.68 1r1j s ILE 315 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1r1j s ILE 315 Cb -0.18 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.65 1r1j s ILE 315 CO -0.15 0.51 0.00 -3.20 0.00 0.00 0.00 174.94 172.10 1r1j n ASN 316 N 3.39 -2.25 -2.48 3.58 4.05 -1.26 0.02 115.26 120.31 1r1j n ASN 316 Ca -0.18 0.23 -0.06 0.00 0.45 0.00 0.00 54.58 55.02 1r1j n ASN 316 Cb 0.53 -2.20 0.03 0.00 1.23 0.00 0.00 39.78 39.37 1r1j n ASN 316 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1r1j n GLY 317 N -0.31 -0.45 0.00 8.20 0.00 -1.26 -4.99 105.19 106.39 1r1j n GLY 317 Ca -0.08 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1r1j n GLY 317 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r1j n LYS 318 N -2.19 0.00 -1.74 1.61 3.00 0.10 -5.03 118.16 113.92 1r1j n LYS 318 Ca -0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 57.99 1r1j n LYS 318 Cb 0.55 -0.21 0.16 0.00 0.00 0.00 0.00 35.03 35.52 1r1j n LYS 318 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1r1j s PRO 319 N 0.00 0.88 0.14 1.64 0.04 -1.26 -5.00 135.00 131.44 1r1j s PRO 319 Ca 0.00 -0.08 -0.28 0.00 0.04 0.00 0.00 61.00 60.68 1r1j s PRO 319 Cb 0.00 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.63 1r1j s PRO 319 CO 0.00 -2.31 0.86 0.12 0.04 0.00 0.00 177.00 175.72 1r1j s PHE 320 N -3.57 3.87 -0.25 0.56 2.19 0.44 -4.94 117.98 116.28 1r1j s PHE 320 Ca 0.68 1.72 0.03 0.00 0.33 0.00 0.00 56.93 59.69 1r1j s PHE 320 Cb -0.09 -2.91 0.05 0.00 -1.31 0.00 0.00 43.02 38.77 1r1j s PHE 320 CO 0.52 0.37 -0.12 0.45 1.83 0.00 0.00 175.22 178.27 1r1j s SER 321 N -0.62 4.22 0.19 6.13 0.15 -1.26 -4.61 113.70 117.91 1r1j s SER 321 Ca 0.41 -1.27 -0.08 0.00 0.70 0.00 0.00 55.95 55.71 1r1j s SER 321 Cb -0.23 -1.53 0.11 0.00 -1.71 0.00 0.00 66.02 62.65 1r1j s SER 321 CO 0.28 -0.16 1.63 -0.50 1.20 0.00 0.00 173.24 175.69 1r1j h TRP 322 N 7.80 1.07 -0.85 3.44 4.06 -1.95 -1.51 115.95 128.01 1r1j h TRP 322 Ca -0.23 -0.21 0.00 0.00 2.06 0.00 0.00 58.89 60.51 1r1j h TRP 322 Cb 1.06 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 28.91 1r1j h TRP 322 CO 0.61 1.00 0.55 1.25 -3.56 0.00 0.00 178.44 178.29 1r1j h LEU 323 N 0.86 0.99 -0.01 -4.49 5.85 -1.95 0.26 115.31 116.83 1r1j h LEU 323 Ca 0.14 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1r1j h LEU 323 Cb 0.65 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1r1j h LEU 323 CO 0.05 0.73 -0.02 -1.13 -0.34 0.00 0.00 178.44 177.72 1r1j h ASN 324 N 1.16 0.04 -0.54 1.25 -0.73 -1.85 0.93 115.58 115.84 1r1j h ASN 324 Ca 0.31 -0.58 0.08 0.00 1.87 0.00 0.00 56.30 57.98 1r1j h ASN 324 Cb -0.11 -0.01 -0.10 0.00 0.27 0.00 0.00 38.32 38.37 1r1j h ASN 324 CO -0.06 0.61 -0.44 0.15 -0.37 0.00 0.00 177.43 177.32 1r1j h PHE 325 N -0.53 -1.30 -0.84 0.67 -0.00 -1.14 0.33 116.94 114.13 1r1j h PHE 325 Ca 0.00 0.08 -0.03 0.00 -0.00 0.00 0.00 57.97 58.02 1r1j h PHE 325 Cb 0.61 0.64 -0.04 0.00 -0.00 0.00 0.00 35.95 37.16 1r1j h PHE 325 CO 0.13 -0.43 0.40 1.15 -0.00 0.00 0.00 178.31 179.55 1r1j h THR 326 N -0.26 1.26 -0.00 4.41 2.02 -0.36 -2.28 112.91 117.70 1r1j h THR 326 Ca 0.16 -0.74 -0.15 0.00 0.77 0.00 0.00 66.41 66.45 1r1j h THR 326 Cb 0.57 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1r1j h THR 326 CO -0.66 0.32 -0.73 0.78 0.37 0.00 0.00 175.52 175.60 1r1j h ASN 327 N 1.20 0.00 0.52 4.18 2.35 -0.39 -1.25 115.58 122.19 1r1j h ASN 327 Ca 0.29 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.01 1r1j h ASN 327 Cb 0.13 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1r1j h ASN 327 CO -0.03 0.73 -0.10 -0.33 -1.65 0.00 0.00 177.43 176.04 1r1j h GLU 328 N 0.00 0.00 0.00 0.81 4.39 0.21 0.68 114.58 120.67 1r1j h GLU 328 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1r1j h GLU 328 Cb 1.28 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1r1j h GLU 328 CO 0.09 0.10 -0.13 0.82 -1.16 0.00 0.00 179.01 178.74 1r1j h ILE 329 N 0.00 0.21 0.00 3.13 2.04 -1.24 -3.41 117.51 118.24 1r1j h ILE 329 Ca -0.00 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1r1j h ILE 329 Cb 0.39 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1r1j h ILE 329 CO 0.01 0.07 0.00 0.24 0.00 0.00 0.00 178.15 178.47 1r1j h MET 330 N -1.00 0.00 0.00 2.37 2.86 -1.04 -2.83 114.93 115.29 1r1j h MET 330 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1r1j h MET 330 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1r1j h MET 330 CO -0.01 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.83 1r1j n SER 331 N -2.80 0.00 -0.02 1.22 3.41 0.21 -1.00 113.62 114.64 1r1j n SER 331 Ca 0.02 -0.63 0.04 0.00 -0.26 0.00 0.00 58.87 58.05 1r1j n SER 331 Cb 0.35 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.19 1r1j n SER 331 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1r1j n THR 332 N -0.70 0.21 -1.08 6.66 -1.04 -1.07 -3.08 114.28 114.18 1r1j n THR 332 Ca 0.04 -0.39 -0.07 0.00 -2.04 0.00 0.00 64.05 61.59 1r1j n THR 332 Cb 0.02 -0.01 0.29 0.00 -1.82 0.00 0.00 70.33 68.80 1r1j n THR 332 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1r1j n VAL 333 N -2.12 2.93 -3.97 12.58 3.14 -1.02 -4.98 118.33 124.89 1r1j n VAL 333 Ca -0.07 -1.73 -0.26 0.00 -2.96 0.00 0.00 64.34 59.32 1r1j n VAL 333 Cb 0.51 -0.36 -0.02 0.00 -1.06 0.00 0.00 33.84 32.91 1r1j n VAL 333 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1r1j n ASN 334 N -0.30 -0.79 -4.55 6.55 4.05 -1.10 -4.99 115.26 114.14 1r1j n ASN 334 Ca 0.42 -0.99 -0.31 0.00 0.45 0.00 0.00 54.58 54.15 1r1j n ASN 334 Cb 1.39 -3.09 -0.11 0.00 1.23 0.00 0.00 39.78 39.21 1r1j n ASN 334 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1r1j s ILE 335 N -3.86 3.28 -0.16 -1.44 1.01 -0.17 -4.97 121.20 114.89 1r1j s ILE 335 Ca 0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 1r1j s ILE 335 Cb -0.05 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 1r1j s ILE 335 CO 0.89 0.26 -0.04 -0.94 0.00 0.00 0.00 174.94 175.11 1r1j s SER 336 N -1.76 4.79 -0.11 3.58 1.04 -1.26 -3.67 113.70 116.31 1r1j s SER 336 Ca 0.18 -0.13 0.04 0.00 0.48 0.00 0.00 55.95 56.52 1r1j s SER 336 Cb -0.11 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.23 1r1j s SER 336 CO 0.09 0.17 -0.24 -0.63 0.98 0.00 0.00 173.24 173.62 1r1j s ILE 337 N 0.37 2.05 0.48 -1.02 -1.09 -1.26 -5.11 121.20 115.61 1r1j s ILE 337 Ca -0.04 -1.01 0.06 0.00 -2.23 0.00 0.00 60.65 57.43 1r1j s ILE 337 Cb -0.14 -1.78 -0.00 0.00 -1.58 0.00 0.00 42.46 38.96 1r1j s ILE 337 CO 0.03 0.56 0.34 0.42 -1.23 0.00 0.00 174.94 175.05 1r1j s THR 338 N 0.43 2.08 -2.00 2.92 -4.23 -1.26 -4.91 115.64 108.67 1r1j s THR 338 Ca -0.17 -1.51 0.09 0.00 -1.18 0.00 0.00 61.69 58.93 1r1j s THR 338 Cb -0.18 -2.59 0.26 0.00 1.34 0.00 0.00 72.50 71.34 1r1j s THR 338 CO 0.07 0.00 1.30 0.59 -0.54 0.00 0.00 174.62 176.04 1r1j n ASN 339 N -1.57 0.00 -0.02 3.99 4.13 -1.26 -1.48 115.26 119.05 1r1j n ASN 339 Ca -0.00 -1.61 0.11 0.00 1.68 0.00 0.00 54.58 54.76 1r1j n ASN 339 Cb 0.64 0.00 0.14 0.00 -1.54 0.00 0.00 39.78 39.02 1r1j n ASN 339 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1r1j n GLU 340 N -0.65 0.07 -1.60 3.52 -0.00 -1.26 -1.61 120.64 119.11 1r1j n GLU 340 Ca 0.07 -0.05 -0.49 0.00 -0.00 0.00 0.00 57.16 56.69 1r1j n GLU 340 Cb 0.03 -1.50 -0.05 0.00 -0.00 0.00 0.00 31.44 29.93 1r1j n GLU 340 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1r1j n GLU 341 N -1.42 1.38 -2.62 3.44 4.07 -0.55 -4.73 120.64 120.21 1r1j n GLU 341 Ca 0.05 0.49 -0.41 0.00 -0.06 0.00 0.00 57.16 57.24 1r1j n GLU 341 Cb 0.34 -2.09 -0.05 0.00 -0.06 0.00 0.00 31.44 29.58 1r1j n GLU 341 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1r1j s ASP 342 N 0.30 7.42 -0.01 4.31 1.01 -1.26 -1.11 116.67 127.33 1r1j s ASP 342 Ca 0.77 2.00 0.01 0.00 0.71 0.00 0.00 52.55 56.05 1r1j s ASP 342 Cb -0.84 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 40.49 1r1j s ASP 342 CO 0.48 -0.08 -0.05 -0.69 0.21 0.00 0.00 175.17 175.05 1r1j s VAL 343 N -0.53 0.40 -0.37 -1.27 1.01 0.49 -4.33 120.40 115.80 1r1j s VAL 343 Ca 0.46 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.05 1r1j s VAL 343 Cb -0.27 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 35.75 1r1j s VAL 343 CO 0.34 0.13 0.66 -0.69 0.00 0.00 0.00 175.10 175.54 1r1j s VAL 344 N 0.11 4.85 -0.32 2.92 1.01 -0.18 0.02 120.40 128.81 1r1j s VAL 344 Ca -0.01 0.55 -0.13 0.00 0.00 0.00 0.00 61.98 62.40 1r1j s VAL 344 Cb -0.05 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1r1j s VAL 344 CO -0.00 -0.38 0.25 -0.69 0.00 0.00 0.00 175.10 174.28 1r1j s VAL 345 N 2.80 5.27 -0.14 2.92 1.01 -0.54 -0.43 120.40 131.28 1r1j s VAL 345 Ca 0.25 -0.03 0.19 0.00 0.00 0.00 0.00 61.98 62.40 1r1j s VAL 345 Cb -0.14 -3.68 -0.16 0.00 0.00 0.00 0.00 36.38 32.40 1r1j s VAL 345 CO 0.16 0.06 0.70 -1.22 0.00 0.00 0.00 175.10 174.80 1r1j n TYR 346 N 5.15 0.65 -3.07 5.22 4.01 0.97 -3.43 117.16 126.65 1r1j n TYR 346 Ca -0.12 0.21 -0.22 0.00 -0.16 0.00 0.00 57.90 57.61 1r1j n TYR 346 Cb 0.50 -0.93 -0.03 0.00 -0.31 0.00 0.00 39.34 38.57 1r1j n TYR 346 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1r1j n ALA 347 N -2.36 3.17 -0.29 -0.72 0.00 -1.24 -4.90 120.51 114.16 1r1j n ALA 347 Ca -0.09 -3.96 0.12 0.00 0.00 0.00 0.00 53.44 49.51 1r1j n ALA 347 Cb 0.76 -0.84 0.27 0.00 0.00 0.00 0.00 19.45 19.63 1r1j n ALA 347 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1r1j h PRO 348 N 2.99 0.16 0.02 0.00 0.11 -1.90 -1.64 132.00 131.73 1r1j h PRO 348 Ca 0.11 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 66.01 1r1j h PRO 348 Cb 0.77 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 1r1j h PRO 348 CO 0.64 0.10 -0.92 0.93 -0.21 0.00 0.00 178.00 178.54 1r1j h GLU 349 N 0.16 0.13 -0.20 1.05 5.08 -1.97 -1.61 114.58 117.23 1r1j h GLU 349 Ca 0.53 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1r1j h GLU 349 Cb 1.06 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1r1j h GLU 349 CO -0.69 0.96 0.09 -0.92 -1.00 0.00 0.00 179.01 177.45 1r1j h TYR 350 N 0.07 0.16 -0.64 4.33 5.03 -1.60 -0.65 116.97 123.67 1r1j h TYR 350 Ca -0.04 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.30 1r1j h TYR 350 Cb 1.58 -0.04 -0.04 0.00 1.55 0.00 0.00 36.73 39.78 1r1j h TYR 350 CO 0.02 0.09 0.41 -0.07 -1.32 0.00 0.00 178.16 177.29 1r1j h LEU 351 N 0.20 0.68 -0.62 2.82 3.38 -1.00 0.47 115.31 121.24 1r1j h LEU 351 Ca 0.08 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1r1j h LEU 351 Cb 0.03 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1r1j h LEU 351 CO -0.07 0.49 0.20 0.74 0.09 0.00 0.00 178.44 179.89 1r1j h THR 352 N 0.82 1.24 -0.16 0.22 2.02 -1.15 -2.83 112.91 113.07 1r1j h THR 352 Ca 0.24 -0.82 -0.12 0.00 0.77 0.00 0.00 66.41 66.48 1r1j h THR 352 Cb -0.04 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1r1j h THR 352 CO -0.08 0.32 -0.44 0.11 0.37 0.00 0.00 175.52 175.80 1r1j h LYS 353 N 0.89 0.37 -1.00 6.66 6.56 -0.32 -3.04 116.57 126.69 1r1j h LYS 353 Ca 0.20 -0.19 0.25 0.00 -1.06 0.00 0.00 60.65 59.84 1r1j h LYS 353 Cb 0.28 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 31.86 1r1j h LYS 353 CO -0.01 0.74 0.65 1.25 -2.06 0.00 0.00 179.45 180.03 1r1j h LEU 354 N 0.31 0.44 0.29 2.94 5.85 0.17 -3.33 115.31 121.98 1r1j h LEU 354 Ca 0.02 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1r1j h LEU 354 Cb 0.89 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1r1j h LEU 354 CO 0.07 0.12 -0.29 0.50 -0.34 0.00 0.00 178.44 178.50 1r1j h LYS 355 N 0.41 -0.56 0.00 1.25 3.64 -1.56 -0.40 116.57 119.35 1r1j h LYS 355 Ca 0.56 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 1r1j h LYS 355 Cb 1.39 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1r1j h LYS 355 CO -0.26 -0.37 0.00 -0.35 -2.27 0.00 0.00 179.45 176.20 1r1j n PRO 356 N -4.12 0.04 -0.00 1.90 -0.04 -1.25 -2.63 135.00 128.90 1r1j n PRO 356 Ca -0.07 0.22 -0.09 0.00 -0.04 0.00 0.00 63.50 63.53 1r1j n PRO 356 Cb 0.26 -1.57 -0.07 0.00 -0.04 0.00 0.00 33.50 32.09 1r1j n PRO 356 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1r1j h ILE 357 N 0.00 0.86 -0.17 0.52 2.04 -1.51 -3.38 117.51 115.88 1r1j h ILE 357 Ca 0.00 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.46 1r1j h ILE 357 Cb 0.34 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1r1j h ILE 357 CO 0.00 0.26 0.11 -0.07 0.00 0.00 0.00 178.15 178.45 1r1j h LEU 358 N -0.94 0.18 -2.41 1.44 4.07 -0.85 -1.58 115.31 115.23 1r1j h LEU 358 Ca -0.01 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1r1j h LEU 358 Cb 0.52 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.21 1r1j h LEU 358 CO 0.02 0.13 -0.03 0.74 -1.08 0.00 0.00 178.44 178.22 1r1j h THR 359 N 0.21 0.21 -0.00 0.22 2.02 -1.62 -2.88 112.91 111.07 1r1j h THR 359 Ca 0.06 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1r1j h THR 359 Cb -0.00 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1r1j h THR 359 CO -0.01 0.03 -0.22 0.29 0.37 0.00 0.00 175.52 175.98 1r1j n LYS 360 N -3.33 0.19 -4.69 6.66 5.02 -0.59 -4.89 118.16 116.52 1r1j n LYS 360 Ca -0.02 -0.07 -0.28 0.00 -2.02 0.00 0.00 58.31 55.92 1r1j n LYS 360 Cb 0.15 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.52 1r1j n LYS 360 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1r1j s TYR 361 N -2.86 2.16 0.49 2.13 2.02 -1.09 -5.11 117.35 115.09 1r1j s TYR 361 Ca 0.17 -0.40 -0.21 0.00 -0.37 0.00 0.00 57.07 56.26 1r1j s TYR 361 Cb 0.19 -1.26 -0.08 0.00 -0.40 0.00 0.00 41.96 40.41 1r1j s TYR 361 CO 0.58 0.17 1.08 -1.54 -1.57 0.00 0.00 175.55 174.27 1r1j s SER 362 N -1.44 6.20 0.28 2.29 1.04 -1.26 -4.53 113.70 116.27 1r1j s SER 362 Ca 0.11 2.06 0.02 0.00 0.48 0.00 0.00 55.95 58.62 1r1j s SER 362 Cb -0.10 -2.57 0.70 0.00 0.10 0.00 0.00 66.02 64.14 1r1j s SER 362 CO 0.03 -0.89 1.42 0.00 0.98 0.00 0.00 173.24 174.79 1r1j n ALA 363 N -0.88 0.46 -0.27 5.32 0.00 -1.26 0.12 120.51 124.00 1r1j n ALA 363 Ca 0.09 0.97 -0.02 0.00 0.00 0.00 0.00 53.44 54.49 1r1j n ALA 363 Cb 0.51 -0.71 0.10 0.00 0.00 0.00 0.00 19.45 19.35 1r1j n ALA 363 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1r1j h ARG 364 N 0.00 0.85 0.01 0.00 2.43 -1.99 -1.55 114.38 114.13 1r1j h ARG 364 Ca 0.55 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.67 1r1j h ARG 364 Cb 1.14 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1r1j h ARG 364 CO -0.85 0.56 -0.00 -0.44 -1.51 0.00 0.00 179.97 177.73 1r1j h ASP 365 N 0.88 -0.01 -0.15 -3.80 3.32 -0.67 -0.95 116.42 115.05 1r1j h ASP 365 Ca 0.32 -0.35 0.05 0.00 0.02 0.00 0.00 57.03 57.07 1r1j h ASP 365 Cb 0.09 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.59 1r1j h ASP 365 CO -0.14 0.35 -0.23 -0.07 -1.72 0.00 0.00 179.24 177.42 1r1j h LEU 366 N -0.36 -0.72 -1.13 1.55 3.38 -0.92 -2.64 115.31 114.47 1r1j h LEU 366 Ca -0.00 0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1r1j h LEU 366 Cb 0.36 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1r1j h LEU 366 CO 0.00 -0.28 -0.43 -0.61 0.09 0.00 0.00 178.44 177.21 1r1j h GLN 367 N -0.28 0.01 -0.32 1.13 5.75 -1.20 0.12 115.11 120.31 1r1j h GLN 367 Ca 0.11 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 1r1j h GLN 367 Cb 0.44 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 1r1j h GLN 367 CO -0.31 0.44 0.11 -0.91 -2.65 0.00 0.00 178.83 175.50 1r1j h ASN 368 N 0.01 0.41 0.01 -0.69 -0.26 -0.83 -0.45 115.58 113.79 1r1j h ASN 368 Ca -0.00 -0.04 -0.00 0.00 -0.56 0.00 0.00 56.30 55.69 1r1j h ASN 368 Cb 0.77 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.92 1r1j h ASN 368 CO 0.06 0.40 -0.01 0.25 -1.06 0.00 0.00 177.43 177.07 1r1j h LEU 369 N 0.45 -0.01 -0.44 1.61 5.85 -0.87 -3.08 115.31 118.82 1r1j h LEU 369 Ca 0.11 -0.76 0.09 0.00 0.84 0.00 0.00 57.88 58.16 1r1j h LEU 369 Cb 0.13 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.07 1r1j h LEU 369 CO -0.01 0.83 -0.30 0.24 -0.34 0.00 0.00 178.44 178.86 1r1j h MET 370 N -0.95 -0.20 -0.38 1.25 2.86 -0.69 -1.32 114.93 115.49 1r1j h MET 370 Ca -0.00 0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.51 1r1j h MET 370 Cb 0.77 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1r1j h MET 370 CO 0.00 -0.14 -0.33 0.77 1.06 0.00 0.00 176.91 178.28 1r1j h SER 371 N -0.21 0.90 -0.94 1.22 0.02 -1.24 -2.64 113.55 110.66 1r1j h SER 371 Ca 0.19 -0.38 0.13 0.00 -0.84 0.00 0.00 61.79 60.89 1r1j h SER 371 Cb 0.53 -0.25 -0.08 0.00 0.14 0.00 0.00 62.40 62.74 1r1j h SER 371 CO -0.56 1.14 0.60 -0.25 -1.14 0.00 0.00 176.83 176.62 1r1j h TRP 372 N 0.72 0.98 0.00 3.45 -0.00 -1.24 0.10 115.95 119.96 1r1j h TRP 372 Ca 0.07 0.03 -0.06 0.00 -0.00 0.00 0.00 58.89 58.93 1r1j h TRP 372 Cb 0.89 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 29.73 1r1j h TRP 372 CO 0.05 0.38 -0.29 0.00 -0.00 0.00 0.00 178.44 178.59 1r1j h ARG 373 N 0.85 0.00 0.04 2.65 2.47 -0.90 0.12 114.38 119.62 1r1j h ARG 373 Ca 0.47 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 59.12 1r1j h ARG 373 Cb 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 1r1j h ARG 373 CO -0.23 0.29 -0.33 0.35 0.56 0.00 0.00 179.97 180.61 1r1j h PHE 374 N 0.00 0.15 -0.45 3.04 3.57 -1.30 -3.38 116.94 118.57 1r1j h PHE 374 Ca -0.00 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.35 1r1j h PHE 374 Cb 0.89 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1r1j h PHE 374 CO 0.00 1.13 0.11 0.82 -2.23 0.00 0.00 178.31 178.14 1r1j h ILE 375 N -0.82 1.20 -0.53 1.41 2.04 -0.53 -1.29 117.51 118.97 1r1j h ILE 375 Ca -0.07 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.15 1r1j h ILE 375 Cb 1.20 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.95 1r1j h ILE 375 CO 0.03 0.25 -0.32 0.23 0.00 0.00 0.00 178.15 178.34 1r1j n MET 376 N -4.31 -0.24 0.10 2.37 2.81 0.41 -1.37 117.12 116.89 1r1j n MET 376 Ca 0.03 0.95 0.01 0.00 -1.81 0.00 0.00 57.70 56.89 1r1j n MET 376 Cb 0.20 -1.41 0.35 0.00 -0.71 0.00 0.00 33.22 31.66 1r1j n MET 376 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1r1j h ASP 377 N 0.00 0.25 1.39 7.83 3.45 -1.41 -3.13 116.42 124.79 1r1j h ASP 377 Ca 0.09 -0.06 -0.10 0.00 0.43 0.00 0.00 57.03 57.39 1r1j h ASP 377 Cb 0.22 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.91 1r1j h ASP 377 CO -0.50 0.44 -0.63 -0.07 -1.57 0.00 0.00 179.24 176.91 1r1j h LEU 378 N 0.24 0.00 -1.13 1.55 3.38 -1.18 -3.36 115.31 114.81 1r1j h LEU 378 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1r1j h LEU 378 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1r1j h LEU 378 CO 0.03 0.43 -0.01 1.62 0.09 0.00 0.00 178.44 180.60 1r1j h VAL 379 N 0.00 0.02 -0.25 1.22 3.04 -1.43 0.15 116.25 118.99 1r1j h VAL 379 Ca -0.03 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 1r1j h VAL 379 Cb 1.35 1.63 0.00 0.00 -2.01 0.00 0.00 31.29 32.26 1r1j h VAL 379 CO 0.05 0.01 0.00 -1.54 -1.01 0.00 0.00 177.57 175.08 1r1j n SER 380 N -3.10 1.78 -0.88 3.17 3.41 -1.26 -2.84 113.62 113.90 1r1j n SER 380 Ca 0.01 -1.83 0.08 0.00 -0.26 0.00 0.00 58.87 56.87 1r1j n SER 380 Cb 0.36 -0.16 0.21 0.00 -0.26 0.00 0.00 64.21 64.36 1r1j n SER 380 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1r1j n SER 381 N 0.42 3.31 -0.54 4.04 7.64 0.52 -4.90 113.62 124.11 1r1j n SER 381 Ca 0.14 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 57.98 1r1j n SER 381 Cb 0.32 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1r1j n SER 381 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1r1j n LEU 382 N 0.83 0.00 -4.67 -3.43 4.77 -1.13 -4.72 117.00 108.65 1r1j n LEU 382 Ca 0.16 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.85 1r1j n LEU 382 Cb 0.51 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.77 1r1j n LEU 382 CO 0.11 -0.09 0.64 -0.94 -1.33 0.00 0.00 177.39 175.78 1r1j s SER 383 N -0.47 2.73 0.25 -1.43 1.04 -1.14 -4.64 113.70 110.04 1r1j s SER 383 Ca 0.00 1.35 -0.05 0.00 0.48 0.00 0.00 55.95 57.73 1r1j s SER 383 Cb 0.00 -2.03 0.34 0.00 0.10 0.00 0.00 66.02 64.44 1r1j s SER 383 CO 0.00 -3.09 1.87 -0.09 0.98 0.00 0.00 173.24 172.91 1r1j h ARG 384 N -1.86 1.04 -0.61 4.02 9.65 -1.92 0.38 114.38 125.07 1r1j h ARG 384 Ca -0.53 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.31 1r1j h ARG 384 Cb 1.31 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 29.63 1r1j h ARG 384 CO 0.55 0.69 0.41 1.15 2.80 0.00 0.00 179.97 185.56 1r1j h THR 385 N 1.07 1.09 -0.14 0.20 2.02 -1.97 0.94 112.91 116.12 1r1j h THR 385 Ca 0.39 -0.25 -0.20 0.00 0.77 0.00 0.00 66.41 67.11 1r1j h THR 385 Cb 0.14 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1r1j h THR 385 CO -0.16 0.14 -0.73 1.88 0.37 0.00 0.00 175.52 177.01 1r1j h TYR 386 N 0.74 0.87 -0.28 3.16 0.05 -1.24 -2.89 116.97 117.38 1r1j h TYR 386 Ca 0.24 -0.38 0.00 0.00 0.05 0.00 0.00 58.73 58.65 1r1j h TYR 386 Cb 0.05 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 1r1j h TYR 386 CO -0.00 1.18 0.18 0.87 -1.05 0.00 0.00 178.16 179.33 1r1j h LYS 387 N 0.45 0.38 -0.97 4.88 1.57 -0.10 -2.53 116.57 120.25 1r1j h LYS 387 Ca -0.04 -0.03 0.23 0.00 -1.87 0.00 0.00 60.65 58.94 1r1j h LYS 387 Cb 1.34 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 33.49 1r1j h LYS 387 CO 0.14 0.28 0.63 0.93 -0.57 0.00 0.00 179.45 180.86 1r1j h GLU 388 N 0.37 0.42 0.00 3.15 5.08 0.85 -2.26 114.58 122.18 1r1j h GLU 388 Ca 0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1r1j h GLU 388 Cb -0.01 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1r1j h GLU 388 CO -0.02 0.28 0.00 -1.13 -1.00 0.00 0.00 179.01 177.14 1r1j n SER 389 N -4.57 0.00 -0.63 1.42 3.41 -0.95 -1.60 113.62 110.71 1r1j n SER 389 Ca 0.22 0.24 0.10 0.00 -0.26 0.00 0.00 58.87 59.17 1r1j n SER 389 Cb 0.76 -0.36 0.04 0.00 -0.26 0.00 0.00 64.21 64.40 1r1j n SER 389 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1r1j n ARG 390 N -1.36 1.65 0.28 4.33 0.63 -0.85 -4.72 116.66 116.62 1r1j n ARG 390 Ca 0.05 -1.33 -0.17 0.00 -0.92 0.00 0.00 57.85 55.48 1r1j n ARG 390 Cb 0.11 -1.37 -0.08 0.00 0.45 0.00 0.00 32.46 31.56 1r1j n ARG 390 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1r1j h ASN 391 N 3.09 -0.99 -0.38 6.15 2.35 -1.46 -2.68 115.58 121.67 1r1j h ASN 391 Ca 0.00 0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.68 1r1j h ASN 391 Cb 0.75 0.32 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 1r1j h ASN 391 CO 0.00 -0.55 -0.31 0.00 -1.65 0.00 0.00 177.43 174.92 1r1j h ALA 392 N -0.46 0.67 -0.25 -0.83 0.00 -1.84 -2.09 119.26 114.46 1r1j h ALA 392 Ca -0.05 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.49 1r1j h ALA 392 Cb 0.72 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1r1j h ALA 392 CO -0.01 0.67 -0.42 0.35 0.00 0.00 0.00 179.25 179.85 1r1j h PHE 393 N 0.76 -1.19 0.00 0.00 -0.00 -1.77 0.22 116.94 114.96 1r1j h PHE 393 Ca 0.08 0.06 -0.13 0.00 -0.00 0.00 0.00 57.97 57.98 1r1j h PHE 393 Cb 0.88 0.56 -0.02 0.00 -0.00 0.00 0.00 35.95 37.37 1r1j h PHE 393 CO 0.05 -0.45 -0.61 0.07 -0.00 0.00 0.00 178.31 177.37 1r1j h ARG 394 N -0.41 0.00 -0.82 1.11 0.11 -1.34 -0.88 114.38 112.14 1r1j h ARG 394 Ca 0.10 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.21 1r1j h ARG 394 Cb 0.60 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.64 1r1j h ARG 394 CO -0.47 0.61 0.53 -0.22 0.10 0.00 0.00 179.97 180.53 1r1j h LYS 395 N 0.00 1.02 -0.55 0.08 3.64 -0.83 0.65 116.57 120.58 1r1j h LYS 395 Ca -0.01 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.20 1r1j h LYS 395 Cb 1.11 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 1r1j h LYS 395 CO 0.08 0.68 -0.09 0.00 -2.27 0.00 0.00 179.45 177.85 1r1j h ALA 396 N 1.33 0.75 0.00 5.00 0.00 0.38 0.10 119.26 126.82 1r1j h ALA 396 Ca 0.32 -0.34 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 1r1j h ALA 396 Cb -0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1r1j h ALA 396 CO -0.10 0.65 -1.21 -0.07 0.00 0.00 0.00 179.25 178.51 1r1j h LEU 397 N 0.90 0.00 0.00 0.00 3.38 -0.90 -3.42 115.31 115.27 1r1j h LEU 397 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1r1j h LEU 397 Cb 0.66 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1r1j h LEU 397 CO 0.05 1.00 -0.66 -1.22 0.09 0.00 0.00 178.44 177.70 1r1j n TYR 398 N -3.26 0.00 -0.43 1.13 4.01 0.22 -3.89 117.16 114.95 1r1j n TYR 398 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1r1j n TYR 398 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.00 1r1j n TYR 398 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1r1j n GLY 399 N 1.75 1.39 3.78 2.72 0.00 0.36 -4.22 105.19 110.97 1r1j n GLY 399 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1r1j n GLY 399 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r1j s THR 400 N -3.16 4.27 -1.70 2.61 -4.23 -1.26 -4.91 115.64 107.26 1r1j s THR 400 Ca 0.00 1.74 0.21 0.00 -1.18 0.00 0.00 61.69 62.46 1r1j s THR 400 Cb 0.00 -4.00 -0.06 0.00 1.34 0.00 0.00 72.50 69.78 1r1j s THR 400 CO 0.00 0.18 1.00 0.35 -0.54 0.00 0.00 174.62 175.61 1r1j n THR 401 N 0.66 0.00 -3.74 3.99 -2.24 -0.42 -3.91 114.28 108.62 1r1j n THR 401 Ca 0.01 -0.21 -0.10 0.00 -2.27 0.00 0.00 64.05 61.47 1r1j n THR 401 Cb 0.50 1.19 -0.06 0.00 -2.10 0.00 0.00 70.33 69.86 1r1j n THR 401 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1r1j s SER 402 N -2.50 -0.09 0.37 3.42 0.15 -1.22 -5.05 113.70 108.77 1r1j s SER 402 Ca 0.15 -0.36 -0.24 0.00 0.70 0.00 0.00 55.95 56.21 1r1j s SER 402 Cb 0.17 0.39 -0.10 0.00 -1.71 0.00 0.00 66.02 64.76 1r1j s SER 402 CO 0.61 -0.72 0.95 -0.70 1.20 0.00 0.00 173.24 174.57 1r1j s GLU 403 N -3.32 4.43 0.55 5.44 2.12 -1.26 -4.41 118.70 122.25 1r1j s GLU 403 Ca 0.00 1.24 -0.19 0.00 0.36 0.00 0.00 54.97 56.38 1r1j s GLU 403 Cb 0.02 -2.54 -0.08 0.00 0.26 0.00 0.00 34.13 31.79 1r1j s GLU 403 CO -0.08 0.15 0.66 -2.37 -0.54 0.00 0.00 175.26 173.07 1r1j n THR 404 N 0.05 2.55 -1.55 -1.70 5.66 -1.26 -4.90 114.28 113.13 1r1j n THR 404 Ca 0.04 -0.50 -0.43 0.00 -3.05 0.00 0.00 64.05 60.11 1r1j n THR 404 Cb 0.52 -0.80 -0.00 0.00 -1.55 0.00 0.00 70.33 68.49 1r1j n THR 404 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1r1j n ALA 405 N -1.54 -0.55 -0.20 1.79 0.00 -1.26 -4.72 120.51 114.03 1r1j n ALA 405 Ca 0.12 0.28 -0.06 0.00 0.00 0.00 0.00 53.44 53.77 1r1j n ALA 405 Cb 0.46 -1.96 0.03 0.00 0.00 0.00 0.00 19.45 17.99 1r1j n ALA 405 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1r1j h THR 406 N 1.46 1.16 -0.15 0.00 2.02 -1.99 -1.57 112.91 113.84 1r1j h THR 406 Ca -0.41 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 1r1j h THR 406 Cb 1.36 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1r1j h THR 406 CO 0.57 0.16 0.03 4.11 0.37 0.00 0.00 175.52 180.76 1r1j h TRP 407 N 0.78 0.20 -0.02 3.16 5.08 -1.95 -1.05 115.95 122.14 1r1j h TRP 407 Ca 0.21 -0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.14 1r1j h TRP 407 Cb -0.06 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 26.04 1r1j h TRP 407 CO -0.03 0.18 -0.11 0.00 -1.28 0.00 0.00 178.44 177.20 1r1j h ARG 408 N 0.20 0.12 -0.89 0.12 3.08 -1.67 0.49 114.38 115.84 1r1j h ARG 408 Ca 0.05 -0.10 0.19 0.00 0.07 0.00 0.00 59.98 60.19 1r1j h ARG 408 Cb 0.09 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.05 1r1j h ARG 408 CO -0.00 0.75 0.44 0.00 -1.07 0.00 0.00 179.97 180.09 1r1j h ARG 409 N -0.48 0.52 0.01 0.04 3.08 -1.03 -1.29 114.38 115.23 1r1j h ARG 409 Ca -0.01 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1r1j h ARG 409 Cb 0.77 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1r1j h ARG 409 CO 0.02 0.34 -0.13 0.00 -1.07 0.00 0.00 179.97 179.14 1r1j h ALA 411 N 0.12 0.05 -0.92 0.00 0.00 -0.83 -0.46 119.26 117.22 1r1j h ALA 411 Ca -0.02 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1r1j h ALA 411 Cb 1.00 0.82 -0.05 0.00 0.00 0.00 0.00 17.79 19.57 1r1j h ALA 411 CO 0.02 -0.64 0.61 -0.91 0.00 0.00 0.00 179.25 178.33 1r1j h ASN 412 N -0.11 1.05 -0.21 0.00 2.35 -1.06 -0.19 115.58 117.41 1r1j h ASN 412 Ca 0.27 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1r1j h ASN 412 Cb 0.56 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1r1j h ASN 412 CO -0.76 0.76 0.06 0.22 -1.65 0.00 0.00 177.43 176.06 1r1j h TYR 413 N 1.25 0.35 -0.44 1.19 5.03 0.01 -1.27 116.97 123.09 1r1j h TYR 413 Ca 0.34 -0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.58 1r1j h TYR 413 Cb -0.15 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.02 1r1j h TYR 413 CO -0.01 0.44 0.17 -0.39 -1.32 0.00 0.00 178.16 177.05 1r1j h VAL 414 N 0.16 1.20 -0.79 1.81 -1.51 -0.78 -1.71 116.25 114.64 1r1j h VAL 414 Ca 0.07 -0.64 0.18 0.00 -1.23 0.00 0.00 66.70 65.08 1r1j h VAL 414 Cb 0.26 0.81 -0.12 0.00 -2.13 0.00 0.00 31.29 30.11 1r1j h VAL 414 CO -0.00 0.23 0.21 -1.13 -1.23 0.00 0.00 177.57 175.65 1r1j h ASN 415 N 0.56 0.03 1.49 4.19 -1.24 -0.94 0.29 115.58 119.97 1r1j h ASN 415 Ca 0.15 0.16 -0.02 0.00 0.71 0.00 0.00 56.30 57.29 1r1j h ASN 415 Cb 0.20 0.21 -0.00 0.00 0.73 0.00 0.00 38.32 39.46 1r1j h ASN 415 CO -0.01 -0.06 -0.11 1.23 -1.29 0.00 0.00 177.43 177.18 1r1j h GLY 416 N 0.27 0.00 0.00 1.57 0.00 -0.39 -2.76 103.07 101.76 1r1j h GLY 416 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1r1j h GLY 416 CO -0.55 0.00 -1.07 0.70 0.00 0.00 0.00 176.54 175.61 1r1j n ASN 417 N -3.17 1.09 -3.12 0.19 3.02 -0.72 -4.62 115.26 107.93 1r1j n ASN 417 Ca 0.02 -0.48 -0.18 0.00 -0.03 0.00 0.00 54.58 53.91 1r1j n ASN 417 Cb 0.49 1.27 -0.03 0.00 -0.61 0.00 0.00 39.78 40.91 1r1j n ASN 417 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1r1j n MET 418 N -1.61 1.15 0.14 3.52 2.81 0.98 -4.97 117.12 119.14 1r1j n MET 418 Ca 0.00 -3.47 -0.00 0.00 -1.81 0.00 0.00 57.70 52.42 1r1j n MET 418 Cb 0.28 -1.71 0.26 0.00 -0.71 0.00 0.00 33.22 31.34 1r1j n MET 418 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 1r1j h GLU 419 N 3.00 0.07 0.05 0.03 4.11 -1.68 -0.00 114.58 120.15 1r1j h GLU 419 Ca 0.09 -0.03 -0.20 0.00 0.07 0.00 0.00 59.36 59.28 1r1j h GLU 419 Cb 0.96 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.23 1r1j h GLU 419 CO 0.52 0.52 -0.83 -0.91 0.07 0.00 0.00 179.01 178.39 1r1j h ASN 420 N 0.05 0.63 -0.67 3.06 2.35 -1.93 0.55 115.58 119.62 1r1j h ASN 420 Ca 0.00 -0.81 0.05 0.00 -0.55 0.00 0.00 56.30 54.99 1r1j h ASN 420 Cb 0.85 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.97 1r1j h ASN 420 CO 0.06 1.37 0.39 0.00 -1.65 0.00 0.00 177.43 177.60 1r1j h ALA 421 N 0.27 0.89 0.02 -0.83 0.00 -1.82 -2.37 119.26 115.42 1r1j h ALA 421 Ca -0.12 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 1r1j h ALA 421 Cb 1.55 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1r1j h ALA 421 CO 0.16 0.09 -1.04 0.28 0.00 0.00 0.00 179.25 178.74 1r1j h VAL 422 N 0.73 1.68 -0.21 0.00 2.07 -1.02 -3.07 116.25 116.43 1r1j h VAL 422 Ca 0.29 -3.37 -0.08 0.00 0.82 0.00 0.00 66.70 64.36 1r1j h VAL 422 Cb 0.13 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1r1j h VAL 422 CO -0.16 0.96 -0.21 1.23 0.02 0.00 0.00 177.57 179.41 1r1j h GLY 423 N 2.84 0.40 0.75 2.17 0.00 -0.76 0.17 103.07 108.63 1r1j h GLY 423 Ca -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1r1j h GLY 423 CO 0.14 0.27 0.00 -0.09 0.00 0.00 0.00 176.54 176.86 1r1j h ARG 424 N 0.33 0.13 -0.81 4.80 2.43 -1.38 -1.29 114.38 118.59 1r1j h ARG 424 Ca 0.06 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1r1j h ARG 424 Cb 0.57 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 1r1j h ARG 424 CO 0.04 0.38 0.51 -0.07 -1.51 0.00 0.00 179.97 179.32 1r1j h LEU 425 N -0.15 0.96 -0.34 3.80 3.38 -1.43 -2.28 115.31 119.25 1r1j h LEU 425 Ca 0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1r1j h LEU 425 Cb 0.32 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1r1j h LEU 425 CO 0.00 0.72 0.17 0.22 0.09 0.00 0.00 178.44 179.65 1r1j h TYR 426 N 1.11 0.48 -0.06 1.13 3.20 -0.81 -1.95 116.97 120.05 1r1j h TYR 426 Ca 0.29 -0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.93 1r1j h TYR 426 Cb -0.07 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.05 1r1j h TYR 426 CO -0.01 0.40 -0.84 -0.39 -1.64 0.00 0.00 178.16 175.68 1r1j h VAL 427 N 0.41 1.35 -0.23 1.81 -1.51 -1.11 0.19 116.25 117.16 1r1j h VAL 427 Ca 0.12 -2.21 -0.04 0.00 -1.23 0.00 0.00 66.70 63.34 1r1j h VAL 427 Cb 0.10 2.20 -0.01 0.00 -2.13 0.00 0.00 31.29 31.45 1r1j h VAL 427 CO -0.02 0.67 -0.04 -0.33 -1.23 0.00 0.00 177.57 176.63 1r1j h GLU 428 N 0.34 0.36 0.04 5.19 5.08 -1.39 -1.01 114.58 123.18 1r1j h GLU 428 Ca -0.06 -0.07 -0.24 0.00 -1.00 0.00 0.00 59.36 57.99 1r1j h GLU 428 Cb 1.46 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1r1j h GLU 428 CO 0.15 0.42 -1.03 0.00 -1.00 0.00 0.00 179.01 177.55 1r1j h ALA 429 N 1.62 0.28 0.00 3.43 0.00 -0.77 -3.43 119.26 120.39 1r1j h ALA 429 Ca 0.08 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1r1j h ALA 429 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1r1j h ALA 429 CO 0.01 0.85 -0.21 0.00 0.00 0.00 0.00 179.25 179.90 1r1j n ALA 430 N -2.54 0.47 -2.40 0.00 0.00 0.00 -5.08 120.51 110.96 1r1j n ALA 430 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.08 1r1j n ALA 430 Cb 0.89 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.20 1r1j n ALA 430 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1r1j s PHE 431 N -0.44 2.21 -0.17 0.00 2.19 -0.41 -5.00 117.98 116.36 1r1j s PHE 431 Ca 0.00 -0.39 -0.19 0.00 0.33 0.00 0.00 56.93 56.68 1r1j s PHE 431 Cb 0.00 -1.25 -0.22 0.00 -1.31 0.00 0.00 43.02 40.24 1r1j s PHE 431 CO 0.00 0.24 0.33 0.00 1.83 0.00 0.00 175.22 177.62 1r1j h ALA 432 N 4.26 0.26 0.00 11.12 0.00 -1.95 -3.44 119.26 129.52 1r1j h ALA 432 Ca -0.48 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.25 1r1j h ALA 432 Cb 1.16 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1r1j h ALA 432 CO 0.41 0.77 0.00 0.41 0.00 0.00 0.00 179.25 180.84 1r1j n GLY 433 N 1.58 3.32 0.10 0.00 0.00 -1.26 -4.78 105.19 104.15 1r1j n GLY 433 Ca -0.29 -0.96 0.13 0.00 0.00 0.00 0.00 46.02 44.90 1r1j n GLY 433 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r1j n GLU 434 N 0.00 0.28 -0.26 1.61 -0.58 -1.26 -2.92 120.64 117.51 1r1j n GLU 434 Ca 0.00 0.21 0.06 0.00 -0.42 0.00 0.00 57.16 57.01 1r1j n GLU 434 Cb 0.00 -1.80 0.18 0.00 -0.57 0.00 0.00 31.44 29.25 1r1j n GLU 434 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1r1j h SER 435 N 0.00 -0.18 -0.64 1.62 0.02 -1.99 -2.18 113.55 110.21 1r1j h SER 435 Ca 0.00 0.18 0.09 0.00 -0.84 0.00 0.00 61.79 61.22 1r1j h SER 435 Cb 0.75 0.28 -0.07 0.00 0.14 0.00 0.00 62.40 63.50 1r1j h SER 435 CO 0.00 -0.13 0.27 0.50 -1.14 0.00 0.00 176.83 176.33 1r1j h LYS 436 N 0.17 0.46 -0.49 3.45 3.64 -1.91 -1.88 116.57 120.02 1r1j h LYS 436 Ca 0.43 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.68 1r1j h LYS 436 Cb 0.77 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1r1j h LYS 436 CO -0.61 0.31 -0.12 0.45 -2.27 0.00 0.00 179.45 177.21 1r1j h HIS 437 N 0.48 1.01 -0.33 1.91 3.86 -1.58 -2.07 115.15 118.43 1r1j h HIS 437 Ca 0.32 -0.20 -0.16 0.00 -1.16 0.00 0.00 60.37 59.17 1r1j h HIS 437 Cb 0.38 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 1r1j h HIS 437 CO -0.15 0.97 -0.44 0.28 0.86 0.00 0.00 177.93 179.46 1r1j h VAL 438 N 0.81 1.28 -0.59 2.45 2.07 -1.07 -3.04 116.25 118.15 1r1j h VAL 438 Ca 0.13 -1.62 -0.10 0.00 0.82 0.00 0.00 66.70 65.94 1r1j h VAL 438 Cb 0.65 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1r1j h VAL 438 CO 0.04 0.53 -0.01 0.58 0.02 0.00 0.00 177.57 178.74 1r1j h VAL 439 N 0.67 1.26 -0.54 2.57 2.07 -1.29 -1.57 116.25 119.43 1r1j h VAL 439 Ca 0.04 -1.15 0.10 0.00 0.82 0.00 0.00 66.70 66.50 1r1j h VAL 439 Cb 1.04 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 31.55 1r1j h VAL 439 CO 0.10 0.42 0.10 -0.33 0.02 0.00 0.00 177.57 177.88 1r1j h GLU 440 N 0.95 0.23 -0.28 1.57 5.08 -1.32 0.51 114.58 121.31 1r1j h GLU 440 Ca 0.17 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 1r1j h GLU 440 Cb 0.56 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1r1j h GLU 440 CO 0.03 0.15 -0.35 0.22 -1.00 0.00 0.00 179.01 178.06 1r1j h ASP 441 N 0.24 0.80 -0.55 1.42 3.58 -1.40 0.46 116.42 120.97 1r1j h ASP 441 Ca 0.28 -0.49 0.11 0.00 0.42 0.00 0.00 57.03 57.34 1r1j h ASP 441 Cb 0.39 -0.23 -0.10 0.00 1.72 0.00 0.00 39.33 41.11 1r1j h ASP 441 CO -0.37 1.13 -0.13 -0.07 -2.88 0.00 0.00 179.24 176.93 1r1j h LEU 442 N 0.49 -0.49 -0.82 2.28 3.38 -0.62 0.05 115.31 119.56 1r1j h LEU 442 Ca 0.04 0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1r1j h LEU 442 Cb 0.93 0.33 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 1r1j h LEU 442 CO 0.08 -0.18 0.34 0.40 0.09 0.00 0.00 178.44 179.18 1r1j h ILE 443 N 0.01 1.26 -0.97 1.22 2.04 0.73 -1.13 117.51 120.68 1r1j h ILE 443 Ca 0.27 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1r1j h ILE 443 Cb 0.40 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1r1j h ILE 443 CO -0.56 0.33 0.62 0.00 0.00 0.00 0.00 178.15 178.54 1r1j h ALA 444 N 1.19 1.23 -0.10 1.87 0.00 -0.30 -1.02 119.26 122.13 1r1j h ALA 444 Ca 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1r1j h ALA 444 Cb 0.19 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1r1j h ALA 444 CO -0.03 0.65 0.04 1.96 0.00 0.00 0.00 179.25 181.87 1r1j h GLN 445 N 1.32 0.14 -0.01 0.00 4.20 0.15 -2.21 115.11 118.70 1r1j h GLN 445 Ca 0.35 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.89 1r1j h GLN 445 Cb -0.11 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1r1j h GLN 445 CO -0.07 0.27 -0.64 0.82 -0.67 0.00 0.00 178.83 178.54 1r1j h ILE 446 N -0.01 1.44 -0.52 2.54 2.04 -1.08 -1.70 117.51 120.23 1r1j h ILE 446 Ca 0.03 -2.16 -0.03 0.00 1.00 0.00 0.00 64.86 63.71 1r1j h ILE 446 Cb 0.18 2.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1r1j h ILE 446 CO -0.00 0.62 0.21 -0.09 0.00 0.00 0.00 178.15 178.89 1r1j h ARG 447 N 0.04 0.77 -0.34 2.37 2.43 -1.14 -2.04 114.38 116.47 1r1j h ARG 447 Ca -0.01 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1r1j h ARG 447 Cb 1.14 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 1r1j h ARG 447 CO 0.09 0.67 0.20 1.49 -1.51 0.00 0.00 179.97 180.91 1r1j h GLU 448 N 0.69 0.45 -0.60 0.20 4.22 -0.90 -2.35 114.58 116.31 1r1j h GLU 448 Ca 0.17 -0.04 0.02 0.00 0.08 0.00 0.00 59.36 59.59 1r1j h GLU 448 Cb 0.18 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1r1j h GLU 448 CO -0.02 0.34 0.40 0.28 -2.18 0.00 0.00 179.01 177.83 1r1j h VAL 449 N 0.44 1.12 0.35 0.32 2.07 -1.12 0.88 116.25 120.29 1r1j h VAL 449 Ca 0.12 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1r1j h VAL 449 Cb 0.00 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1r1j h VAL 449 CO -0.02 0.14 -0.17 0.15 0.02 0.00 0.00 177.57 177.69 1r1j h PHE 450 N 0.76 -0.43 -0.28 1.57 3.04 -1.02 0.08 116.94 120.66 1r1j h PHE 450 Ca 0.23 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.24 1r1j h PHE 450 Cb -0.01 0.14 -0.08 0.00 2.56 0.00 0.00 35.95 38.57 1r1j h PHE 450 CO -0.00 -0.17 -0.26 0.82 -2.02 0.00 0.00 178.31 176.68 1r1j h ILE 451 N -0.63 0.36 0.00 1.41 2.04 -0.89 -1.71 117.51 118.09 1r1j h ILE 451 Ca -0.05 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1r1j h ILE 451 Cb 0.45 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1r1j h ILE 451 CO 0.08 0.00 -0.19 1.56 0.00 0.00 0.00 178.15 179.60 1r1j h GLN 452 N -0.25 0.00 -0.01 2.37 4.20 -0.77 -1.92 115.11 118.73 1r1j h GLN 452 Ca 0.15 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.73 1r1j h GLN 452 Cb 0.48 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1r1j h GLN 452 CO -0.42 0.19 -0.59 1.15 -0.67 0.00 0.00 178.83 178.49 1r1j h THR 453 N 0.00 1.42 -0.90 -0.54 2.02 -0.07 -3.06 112.91 111.79 1r1j h THR 453 Ca -0.00 -2.02 0.26 0.00 0.77 0.00 0.00 66.41 65.42 1r1j h THR 453 Cb 0.43 2.08 -0.04 0.00 -1.74 0.00 0.00 68.15 68.89 1r1j h THR 453 CO 0.02 0.58 0.64 -0.07 0.37 0.00 0.00 175.52 177.07 1r1j h LEU 454 N 0.03 0.00 -0.93 2.58 3.38 -0.87 0.33 115.31 119.83 1r1j h LEU 454 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1r1j h LEU 454 Cb 1.05 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1r1j h LEU 454 CO 0.08 0.00 -0.50 0.44 0.09 0.00 0.00 178.44 178.55 1r1j h ASP 455 N 0.00 0.00 0.42 -0.43 5.19 -1.69 -2.45 116.42 117.47 1r1j h ASP 455 Ca 0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 1r1j h ASP 455 Cb 1.71 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.22 1r1j h ASP 455 CO -0.01 0.50 -0.36 0.47 -3.12 0.00 0.00 179.24 176.72 1r1j n ASP 456 N -3.79 0.65 -4.61 6.45 8.00 0.09 -4.82 116.55 118.51 1r1j n ASP 456 Ca -0.01 -0.46 -0.43 0.00 0.71 0.00 0.00 54.79 54.61 1r1j n ASP 456 Cb 0.54 0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.76 1r1j n ASP 456 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1r1j s LEU 457 N -2.79 3.86 0.00 0.64 1.43 -0.92 -4.89 118.68 116.01 1r1j s LEU 457 Ca 0.17 0.70 0.28 0.00 -1.03 0.00 0.00 54.13 54.26 1r1j s LEU 457 Cb 0.18 -3.45 1.13 0.00 0.03 0.00 0.00 46.19 44.08 1r1j s LEU 457 CO 0.61 -1.00 1.79 0.35 0.23 0.00 0.00 176.35 178.34 1r1j n THR 458 N 6.22 0.00 -0.15 5.49 -2.24 -1.26 -3.86 114.28 118.48 1r1j n THR 458 Ca 0.10 -0.11 0.10 0.00 -2.27 0.00 0.00 64.05 61.87 1r1j n THR 458 Cb 0.48 0.13 0.25 0.00 -2.10 0.00 0.00 70.33 69.09 1r1j n THR 458 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 1r1j n TRP 459 N -0.63 0.72 -4.37 4.78 4.27 -1.26 -4.92 117.44 116.03 1r1j n TRP 459 Ca 0.16 -0.43 -0.25 0.00 -3.89 0.00 0.00 57.50 53.09 1r1j n TRP 459 Cb 0.30 -0.01 -0.09 0.00 -1.36 0.00 0.00 31.31 30.15 1r1j n TRP 459 CO 0.00 0.00 0.00 -1.64 -2.29 0.00 0.00 177.69 173.76 1r1j s MET 460 N -1.10 2.04 0.33 -2.67 -1.94 -1.25 -4.70 119.30 110.01 1r1j s MET 460 Ca 0.39 -1.77 0.07 0.00 -1.71 0.00 0.00 55.69 52.68 1r1j s MET 460 Cb 0.21 -1.90 -0.02 0.00 2.01 0.00 0.00 34.83 35.13 1r1j s MET 460 CO 0.28 0.15 0.35 0.16 -0.01 0.00 0.00 175.02 175.95 1r1j s ASP 461 N -3.70 5.53 0.20 3.03 3.84 -1.26 -4.96 116.67 119.36 1r1j s ASP 461 Ca 0.34 -0.38 -0.11 0.00 -0.00 0.00 0.00 52.55 52.40 1r1j s ASP 461 Cb 0.00 -1.07 0.16 0.00 -1.38 0.00 0.00 42.92 40.62 1r1j s ASP 461 CO 0.19 -0.37 1.86 0.00 -0.00 0.00 0.00 175.17 176.84 1r1j h ALA 462 N 1.13 0.88 -0.61 2.11 0.00 -1.99 0.16 119.26 120.94 1r1j h ALA 462 Ca -0.45 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1r1j h ALA 462 Cb 1.25 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1r1j h ALA 462 CO 0.57 0.24 0.41 1.05 0.00 0.00 0.00 179.25 181.51 1r1j h GLU 463 N 0.88 0.80 -0.24 0.00 9.09 -1.99 -1.61 114.58 121.52 1r1j h GLU 463 Ca 0.26 -0.05 -0.11 0.00 0.05 0.00 0.00 59.36 59.51 1r1j h GLU 463 Cb -0.04 -0.18 -0.00 0.00 -1.65 0.00 0.00 28.75 26.88 1r1j h GLU 463 CO -0.08 0.53 -0.29 1.15 0.05 0.00 0.00 179.01 180.37 1r1j h THR 464 N 0.83 1.32 -0.56 -1.06 2.02 -1.64 -2.45 112.91 111.36 1r1j h THR 464 Ca 0.23 -1.48 0.10 0.00 0.77 0.00 0.00 66.41 66.03 1r1j h THR 464 Cb -0.09 1.72 -0.08 0.00 -1.74 0.00 0.00 68.15 67.96 1r1j h THR 464 CO -0.05 0.46 0.14 0.11 0.37 0.00 0.00 175.52 176.55 1r1j h LYS 465 N 0.32 0.28 -0.12 6.66 1.57 -0.83 0.02 116.57 124.47 1r1j h LYS 465 Ca 0.03 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 1r1j h LYS 465 Cb 0.86 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1r1j h LYS 465 CO 0.07 0.19 -0.45 -0.22 -0.57 0.00 0.00 179.45 178.47 1r1j h LYS 466 N 0.29 0.28 -0.04 3.15 3.64 -1.17 0.30 116.57 123.02 1r1j h LYS 466 Ca 0.29 -0.14 -0.13 0.00 -1.27 0.00 0.00 60.65 59.39 1r1j h LYS 466 Cb 0.40 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1r1j h LYS 466 CO -0.35 0.68 -0.59 0.00 -2.27 0.00 0.00 179.45 176.92 1r1j h ARG 467 N 0.23 0.15 -0.20 1.90 3.08 -0.93 -1.24 114.38 117.37 1r1j h ARG 467 Ca 0.02 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1r1j h ARG 467 Cb 0.89 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1r1j h ARG 467 CO 0.07 0.69 -0.03 0.00 -1.07 0.00 0.00 179.97 179.63 1r1j h ALA 468 N 1.29 0.27 -0.59 0.04 0.00 0.30 -2.50 119.26 118.06 1r1j h ALA 468 Ca -0.00 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.78 1r1j h ALA 468 Cb 1.06 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.67 1r1j h ALA 468 CO 0.09 0.02 -0.25 1.49 0.00 0.00 0.00 179.25 180.60 1r1j h GLU 469 N 0.10 -0.10 -0.94 0.00 4.81 -0.29 -1.10 114.58 117.07 1r1j h GLU 469 Ca 0.05 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.46 1r1j h GLU 469 Cb 0.46 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.78 1r1j h GLU 469 CO 0.02 -0.06 0.60 0.93 -0.73 0.00 0.00 179.01 179.76 1r1j h GLU 470 N -0.10 0.64 -0.00 1.92 5.08 -0.83 -2.29 114.58 118.99 1r1j h GLU 470 Ca 0.26 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1r1j h GLU 470 Cb 0.52 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1r1j h GLU 470 CO -0.66 0.42 -0.08 -0.22 -1.00 0.00 0.00 179.01 177.48 1r1j h LYS 471 N 0.66 0.06 -0.33 2.33 3.64 -0.82 -2.90 116.57 119.21 1r1j h LYS 471 Ca 0.50 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.85 1r1j h LYS 471 Cb 0.89 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.68 1r1j h LYS 471 CO -0.25 0.80 -0.23 0.00 -2.27 0.00 0.00 179.45 177.50 1r1j h ALA 472 N 0.27 -0.28 -0.74 5.00 0.00 -0.85 0.42 119.26 123.07 1r1j h ALA 472 Ca -0.01 0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.15 1r1j h ALA 472 Cb 0.82 1.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 1r1j h ALA 472 CO 0.02 -0.43 0.63 -0.07 0.00 0.00 0.00 179.25 179.39 1r1j h LEU 473 N -0.04 0.00 -0.40 0.00 3.38 -1.48 0.31 115.31 117.07 1r1j h LEU 473 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1r1j h LEU 473 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1r1j h LEU 473 CO -0.33 0.00 -0.26 0.00 0.09 0.00 0.00 178.44 177.94 1r1j n ALA 474 N -2.53 3.08 -1.82 1.53 0.00 0.06 -4.89 120.51 115.93 1r1j n ALA 474 Ca 0.15 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 1r1j n ALA 474 Cb 0.89 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 19.16 1r1j n ALA 474 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1r1j s ILE 475 N -2.55 2.31 -0.27 0.00 1.01 0.11 -4.94 121.20 116.86 1r1j s ILE 475 Ca 0.23 0.24 -0.11 0.00 0.00 0.00 0.00 60.65 61.02 1r1j s ILE 475 Cb 0.19 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 1r1j s ILE 475 CO 0.53 0.03 0.18 -0.54 0.00 0.00 0.00 174.94 175.14 1r1j s LYS 476 N 0.37 3.93 -0.12 2.79 1.02 -0.41 -4.94 119.74 122.37 1r1j s LYS 476 Ca 0.67 -0.33 -0.09 0.00 0.02 0.00 0.00 55.97 56.23 1r1j s LYS 476 Cb -0.46 -3.62 -0.05 0.00 -0.52 0.00 0.00 37.83 33.19 1r1j s LYS 476 CO 0.39 -0.16 0.19 -1.83 -0.92 0.00 0.00 175.35 173.02 1r1j s GLU 477 N 1.69 3.75 -0.12 1.68 1.03 -1.26 -0.45 118.70 125.02 1r1j s GLU 477 Ca 0.07 -0.05 0.02 0.00 0.03 0.00 0.00 54.97 55.04 1r1j s GLU 477 Cb -0.16 -3.27 0.01 0.00 -0.80 0.00 0.00 34.13 29.92 1r1j s GLU 477 CO 0.10 0.61 -0.18 1.03 -1.33 0.00 0.00 175.26 175.49 1r1j s ARG 478 N -0.59 2.52 -0.14 -4.83 1.81 0.79 -4.96 118.95 113.56 1r1j s ARG 478 Ca 0.15 -0.67 0.01 0.00 -1.72 0.00 0.00 55.73 53.49 1r1j s ARG 478 Cb -0.13 -2.09 0.02 0.00 -0.45 0.00 0.00 34.95 32.30 1r1j s ARG 478 CO 0.04 -0.04 -0.14 0.42 -0.68 0.00 0.00 175.30 174.90 1r1j s ILE 479 N 0.91 1.53 0.00 1.52 1.01 -1.26 -0.69 121.20 124.21 1r1j s ILE 479 Ca -0.07 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1r1j s ILE 479 Cb -0.15 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.89 1r1j s ILE 479 CO -0.02 0.45 0.00 0.61 0.00 0.00 0.00 174.94 175.99 1r1j n GLY 480 N 4.68 2.36 3.64 6.18 0.00 0.20 -4.73 105.19 117.52 1r1j n GLY 480 Ca -0.17 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 1r1j n GLY 480 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1r1j s TYR 481 N 0.00 -0.32 -0.10 1.61 -0.85 -1.26 -1.22 117.35 115.22 1r1j s TYR 481 Ca 0.00 0.02 -0.28 0.00 -0.52 0.00 0.00 57.07 56.29 1r1j s TYR 481 Cb 0.00 0.62 -0.02 0.00 0.38 0.00 0.00 41.96 42.94 1r1j s TYR 481 CO 0.00 -0.92 0.94 -1.25 -1.52 0.00 0.00 175.55 172.80 1r1j s PRO 482 N -3.61 4.42 0.49 -3.49 0.05 -1.26 -4.92 135.00 126.69 1r1j s PRO 482 Ca 0.07 1.27 0.24 0.00 0.05 0.00 0.00 61.00 62.63 1r1j s PRO 482 Cb -0.03 -3.53 1.31 0.00 0.05 0.00 0.00 34.50 32.31 1r1j s PRO 482 CO -0.03 -0.23 1.92 -0.44 0.05 0.00 0.00 177.00 178.27 1r1j h ASP 483 N 7.06 0.14 -0.76 6.66 3.32 -2.00 -1.79 116.42 129.05 1r1j h ASP 483 Ca -0.33 0.01 0.08 0.00 0.02 0.00 0.00 57.03 56.80 1r1j h ASP 483 Cb 1.16 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.65 1r1j h ASP 483 CO 0.82 0.06 0.50 0.44 -1.72 0.00 0.00 179.24 179.34 1r1j h ASP 484 N 0.14 0.67 0.66 6.45 3.45 -1.95 -1.29 116.42 124.55 1r1j h ASP 484 Ca 0.37 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.84 1r1j h ASP 484 Cb 1.25 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.89 1r1j h ASP 484 CO -0.06 0.42 0.00 2.30 -1.57 0.00 0.00 179.24 180.34 1r1j n ILE 485 N -4.49 0.88 -0.12 0.35 -5.35 -0.67 -0.80 119.36 109.16 1r1j n ILE 485 Ca 0.12 0.23 -0.21 0.00 -0.27 0.00 0.00 62.75 62.62 1r1j n ILE 485 Cb 0.26 -1.10 -0.12 0.00 -1.74 0.00 0.00 39.64 36.94 1r1j n ILE 485 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1r1j n VAL 486 N -1.99 1.52 0.93 7.28 0.31 -0.58 -4.70 118.33 121.09 1r1j n VAL 486 Ca 0.03 -0.53 0.11 0.00 -0.01 0.00 0.00 64.34 63.94 1r1j n VAL 486 Cb 0.21 -1.55 0.07 0.00 -0.91 0.00 0.00 33.84 31.66 1r1j n VAL 486 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1r1j n SER 487 N -3.51 2.63 -3.59 4.52 3.41 -0.67 -4.64 113.62 111.77 1r1j n SER 487 Ca -0.47 -1.82 -0.28 0.00 -0.26 0.00 0.00 58.87 56.05 1r1j n SER 487 Cb 0.97 0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.92 1r1j n SER 487 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1r1j s ASN 488 N -1.97 2.87 0.11 4.04 3.84 0.02 -4.98 114.94 118.88 1r1j s ASN 488 Ca 0.24 -3.12 -0.21 0.00 0.21 0.00 0.00 52.86 49.98 1r1j s ASN 488 Cb 0.18 -0.86 -0.08 0.00 -0.55 0.00 0.00 41.25 39.94 1r1j s ASN 488 CO 0.34 -0.18 1.74 0.44 -2.79 0.00 0.00 177.10 176.65 1r1j h ASP 489 N 5.90 0.01 -0.51 -4.21 3.32 -1.82 -2.26 116.42 116.85 1r1j h ASP 489 Ca 0.17 0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.34 1r1j h ASP 489 Cb 0.88 0.02 -0.10 0.00 0.22 0.00 0.00 39.33 40.35 1r1j h ASP 489 CO 0.47 0.03 -0.19 0.78 -1.72 0.00 0.00 179.24 178.61 1r1j h ASN 490 N 0.08 -0.68 -0.94 6.45 -0.26 -1.96 0.34 115.58 118.61 1r1j h ASN 490 Ca 0.06 0.17 0.06 0.00 -0.56 0.00 0.00 56.30 56.03 1r1j h ASN 490 Cb 0.04 0.39 -0.06 0.00 -1.06 0.00 0.00 38.32 37.63 1r1j h ASN 490 CO -0.07 -0.23 0.61 0.50 -1.06 0.00 0.00 177.43 177.18 1r1j h LYS 491 N -0.08 1.06 -0.00 0.81 3.64 -1.89 -1.23 116.57 118.88 1r1j h LYS 491 Ca 0.24 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1r1j h LYS 491 Cb 0.45 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1r1j h LYS 491 CO -0.56 0.70 -0.00 1.25 -2.27 0.00 0.00 179.45 178.57 1r1j h LEU 492 N 1.09 0.00 -1.15 5.20 6.46 0.09 -2.67 115.31 124.33 1r1j h LEU 492 Ca 0.40 -0.58 0.13 0.00 -0.12 0.00 0.00 57.88 57.71 1r1j h LEU 492 Cb 0.18 -0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.03 1r1j h LEU 492 CO -0.15 0.58 0.60 0.78 -0.62 0.00 0.00 178.44 179.63 1r1j h ASN 493 N -0.58 0.80 1.33 1.25 2.35 -0.50 -2.92 115.58 117.30 1r1j h ASN 493 Ca 0.00 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 1r1j h ASN 493 Cb 0.58 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1r1j h ASN 493 CO 0.00 0.42 -0.32 0.78 -1.65 0.00 0.00 177.43 176.66 1r1j h ASN 494 N 0.85 0.00 0.76 5.81 2.35 -0.96 -0.42 115.58 123.97 1r1j h ASN 494 Ca 0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 1r1j h ASN 494 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1r1j h ASN 494 CO -0.23 0.32 0.00 -0.08 -1.65 0.00 0.00 177.43 175.79 1r1j h GLU 495 N 0.00 0.00 -0.01 0.81 4.81 -1.28 -2.92 114.58 115.99 1r1j h GLU 495 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1r1j h GLU 495 Cb 1.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1r1j h GLU 495 CO 0.04 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 178.98 1r1j n TYR 496 N -2.99 0.02 -0.33 0.92 4.01 -0.77 -4.76 117.16 113.26 1r1j n TYR 496 Ca -0.00 -0.15 0.20 0.00 -0.16 0.00 0.00 57.90 57.79 1r1j n TYR 496 Cb 0.24 -0.01 0.39 0.00 -0.31 0.00 0.00 39.34 39.65 1r1j n TYR 496 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1r1j h LEU 497 N 0.26 -0.14 -0.96 7.72 6.46 -0.90 0.23 115.31 127.99 1r1j h LEU 497 Ca 0.00 0.26 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1r1j h LEU 497 Cb 0.19 0.38 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1r1j h LEU 497 CO 0.00 -0.35 -0.00 1.21 -0.62 0.00 0.00 178.44 178.68 1r1j n GLU 498 N -5.37 1.66 -4.02 1.25 2.13 -1.26 -4.76 120.64 110.27 1r1j n GLU 498 Ca 0.28 -0.96 -0.33 0.00 0.66 0.00 0.00 57.16 56.81 1r1j n GLU 498 Cb 0.93 -1.48 -0.06 0.00 0.27 0.00 0.00 31.44 31.10 1r1j n GLU 498 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1r1j s LEU 499 N -2.01 4.09 -0.17 4.31 1.43 0.07 -5.10 118.68 121.30 1r1j s LEU 499 Ca 0.38 0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 53.66 1r1j s LEU 499 Cb 0.21 -2.39 0.08 0.00 0.03 0.00 0.00 46.19 44.12 1r1j s LEU 499 CO 0.34 0.27 0.31 0.21 0.23 0.00 0.00 176.35 177.71 1r1j s ASN 500 N -1.79 0.32 -0.06 2.29 3.04 -1.26 -5.03 114.94 112.44 1r1j s ASN 500 Ca 0.24 0.54 -0.04 0.00 0.04 0.00 0.00 52.86 53.64 1r1j s ASN 500 Cb -0.12 0.87 -0.04 0.00 -1.54 0.00 0.00 41.25 40.42 1r1j s ASN 500 CO 0.15 -0.26 0.12 -0.31 -3.04 0.00 0.00 177.10 173.76 1r1j s TYR 501 N 2.47 3.45 -0.12 0.43 2.02 -1.26 -5.01 117.35 119.34 1r1j s TYR 501 Ca 0.03 0.37 -0.03 0.00 -0.37 0.00 0.00 57.07 57.06 1r1j s TYR 501 Cb -0.13 -1.85 -0.03 0.00 -0.40 0.00 0.00 41.96 39.55 1r1j s TYR 501 CO -0.11 0.63 -0.01 0.15 -1.57 0.00 0.00 175.55 174.65 1r1j s LYS 502 N -1.38 3.33 0.15 -0.62 1.02 -1.26 -4.99 119.74 115.99 1r1j s LYS 502 Ca 0.19 -0.44 0.24 0.00 0.02 0.00 0.00 55.97 55.99 1r1j s LYS 502 Cb -0.12 -2.88 0.92 0.00 -0.52 0.00 0.00 37.83 35.23 1r1j s LYS 502 CO 0.09 0.50 1.75 0.39 -0.92 0.00 0.00 175.35 177.16 1r1j n GLU 503 N 2.78 0.15 -0.55 1.68 1.02 -1.26 -2.01 120.64 122.45 1r1j n GLU 503 Ca -0.18 0.23 0.06 0.00 -0.02 0.00 0.00 57.16 57.25 1r1j n GLU 503 Cb 0.53 -1.71 0.26 0.00 -0.02 0.00 0.00 31.44 30.50 1r1j n GLU 503 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1r1j n ASP 504 N -1.98 3.83 -2.73 1.62 3.85 -1.26 -4.21 116.55 115.68 1r1j n ASP 504 Ca 0.05 -3.13 -0.10 0.00 -0.71 0.00 0.00 54.79 50.89 1r1j n ASP 504 Cb 0.32 -0.58 0.02 0.00 -1.35 0.00 0.00 41.12 39.54 1r1j n ASP 504 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1r1j n GLU 505 N -0.53 1.12 -0.19 0.11 -0.58 -0.85 -4.89 120.64 114.83 1r1j n GLU 505 Ca 0.25 -3.23 -0.03 0.00 -0.42 0.00 0.00 57.16 53.72 1r1j n GLU 505 Cb 0.96 -1.27 0.07 0.00 -0.57 0.00 0.00 31.44 30.63 1r1j n GLU 505 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1r1j h TYR 506 N 2.98 0.54 -0.47 -0.32 5.03 -1.75 -1.00 116.97 121.98 1r1j h TYR 506 Ca -0.08 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.23 1r1j h TYR 506 Cb 1.16 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 39.25 1r1j h TYR 506 CO 0.49 0.26 0.20 0.35 -1.32 0.00 0.00 178.16 178.14 1r1j h PHE 507 N 0.56 0.70 -0.30 -3.82 3.04 -1.92 0.48 116.94 115.68 1r1j h PHE 507 Ca 0.25 -0.05 -0.05 0.00 3.98 0.00 0.00 57.97 62.11 1r1j h PHE 507 Cb 0.15 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.43 1r1j h PHE 507 CO -0.09 0.59 -0.01 0.93 -2.02 0.00 0.00 178.31 177.71 1r1j h GLU 508 N 0.62 0.46 -0.34 1.11 3.07 -1.88 -0.40 114.58 117.22 1r1j h GLU 508 Ca 0.16 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 1r1j h GLU 508 Cb 0.17 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1r1j h GLU 508 CO -0.02 0.50 0.16 -0.91 -1.40 0.00 0.00 179.01 177.34 1r1j h ASN 509 N 0.45 0.45 -0.59 1.42 -0.26 0.17 0.02 115.58 117.23 1r1j h ASN 509 Ca 0.10 -0.13 -0.09 0.00 -0.56 0.00 0.00 56.30 55.62 1r1j h ASN 509 Cb 0.31 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 1r1j h ASN 509 CO 0.01 0.46 0.03 0.16 -1.06 0.00 0.00 177.43 177.03 1r1j h ILE 510 N 0.41 1.26 -0.48 2.81 3.07 -0.36 -1.63 117.51 122.59 1r1j h ILE 510 Ca 0.12 -1.09 -0.03 0.00 1.55 0.00 0.00 64.86 65.41 1r1j h ILE 510 Cb 0.13 0.81 -0.02 0.00 -0.27 0.00 0.00 36.82 37.47 1r1j h ILE 510 CO -0.01 0.40 0.19 0.40 -1.05 0.00 0.00 178.15 178.07 1r1j h ILE 511 N 0.91 1.21 -0.81 0.16 1.08 -0.99 -1.41 117.51 117.65 1r1j h ILE 511 Ca 0.17 -0.64 0.07 0.00 -0.39 0.00 0.00 64.86 64.06 1r1j h ILE 511 Cb 0.51 0.74 -0.06 0.00 -3.07 0.00 0.00 36.82 34.94 1r1j h ILE 511 CO 0.02 0.24 0.49 -0.61 -0.69 0.00 0.00 178.15 177.60 1r1j h GLN 512 N 0.63 0.85 -0.70 2.37 4.15 -0.59 -1.35 115.11 120.48 1r1j h GLN 512 Ca 0.16 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.46 1r1j h GLN 512 Cb 0.19 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1r1j h GLN 512 CO -0.01 0.56 0.16 -0.91 -1.93 0.00 0.00 178.83 176.70 1r1j h ASN 513 N 0.88 1.07 -0.08 -0.69 2.35 -0.88 0.20 115.58 118.43 1r1j h ASN 513 Ca 0.37 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1r1j h ASN 513 Cb 0.22 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1r1j h ASN 513 CO -0.19 1.04 0.05 -0.07 -1.65 0.00 0.00 177.43 176.60 1r1j h LEU 514 N 1.06 0.08 -0.28 1.61 3.38 -0.33 0.38 115.31 121.21 1r1j h LEU 514 Ca 0.22 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1r1j h LEU 514 Cb 0.39 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1r1j h LEU 514 CO 0.01 0.06 0.01 0.11 0.09 0.00 0.00 178.44 178.71 1r1j h LYS 515 N 0.10 0.49 0.01 1.13 1.57 -1.14 -1.90 116.57 116.83 1r1j h LYS 515 Ca 0.03 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1r1j h LYS 515 Cb -0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1r1j h LYS 515 CO -0.01 0.63 -0.18 0.35 -0.57 0.00 0.00 179.45 179.68 1r1j h PHE 516 N 0.28 -0.46 -0.87 -1.35 3.04 -0.82 0.41 116.94 117.17 1r1j h PHE 516 Ca 0.08 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.07 1r1j h PHE 516 Cb 0.41 0.20 -0.05 0.00 2.56 0.00 0.00 35.95 39.07 1r1j h PHE 516 CO 0.03 -0.25 0.57 0.77 -2.02 0.00 0.00 178.31 177.41 1r1j h SER 517 N -0.29 0.95 -0.10 0.41 0.02 -0.80 -0.41 113.55 113.34 1r1j h SER 517 Ca 0.05 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 1r1j h SER 517 Cb 0.36 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1r1j h SER 517 CO -0.16 0.66 -0.18 -0.61 -1.14 0.00 0.00 176.83 175.40 1r1j h GLN 518 N 1.11 0.30 -0.86 3.45 5.75 -0.99 -1.29 115.11 122.59 1r1j h GLN 518 Ca 0.34 -0.19 0.11 0.00 -0.15 0.00 0.00 58.65 58.76 1r1j h GLN 518 Cb -0.03 0.02 -0.08 0.00 1.07 0.00 0.00 27.48 28.47 1r1j h GLN 518 CO -0.11 0.78 0.49 1.03 -2.65 0.00 0.00 178.83 178.38 1r1j h SER 519 N -0.15 0.70 -0.32 -0.69 0.87 -0.65 -0.60 113.55 112.70 1r1j h SER 519 Ca 0.00 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1r1j h SER 519 Cb 0.77 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 1r1j h SER 519 CO 0.04 0.38 0.06 0.50 -0.53 0.00 0.00 176.83 177.28 1r1j h LYS 520 N 0.80 0.53 -0.48 2.24 3.64 -0.93 -2.16 116.57 120.22 1r1j h LYS 520 Ca 0.42 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1r1j h LYS 520 Cb 0.42 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1r1j h LYS 520 CO -0.26 0.61 0.25 0.37 -2.27 0.00 0.00 179.45 178.14 1r1j h GLN 521 N 0.36 0.68 0.00 1.90 5.75 -0.54 -2.31 115.11 120.95 1r1j h GLN 521 Ca 0.10 -0.09 -0.05 0.00 -0.15 0.00 0.00 58.65 58.46 1r1j h GLN 521 Cb 0.33 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 1r1j h GLN 521 CO 0.00 0.55 -0.24 -0.07 -2.65 0.00 0.00 178.83 176.43 1r1j h LEU 522 N 0.63 0.00 -0.21 -2.39 3.38 -1.00 -2.51 115.31 113.21 1r1j h LEU 522 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1r1j h LEU 522 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1r1j h LEU 522 CO -0.02 0.24 0.00 1.17 0.09 0.00 0.00 178.44 179.92 1r1j n LYS 523 N -3.78 0.06 0.17 1.13 3.00 -0.82 -3.00 118.16 114.92 1r1j n LYS 523 Ca -0.01 0.31 0.12 0.00 -0.00 0.00 0.00 58.31 58.72 1r1j n LYS 523 Cb 0.34 -1.61 0.25 0.00 0.00 0.00 0.00 35.03 34.01 1r1j n LYS 523 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1r1j h LYS 524 N 0.00 0.00 -0.99 1.64 1.57 -1.52 -3.40 116.57 113.87 1r1j h LYS 524 Ca 0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 1r1j h LYS 524 Cb 0.28 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.42 1r1j h LYS 524 CO 0.00 0.00 -0.37 -0.11 -0.57 0.00 0.00 179.45 178.40 1r1j n LEU 525 N -2.77 -0.60 -0.85 2.94 7.94 -1.16 -0.18 117.00 122.32 1r1j n LEU 525 Ca 0.04 1.72 0.12 0.00 -1.11 0.00 0.00 56.01 56.79 1r1j n LEU 525 Cb 0.49 -0.41 0.16 0.00 0.53 0.00 0.00 43.42 44.20 1r1j n LEU 525 CO 0.33 -1.56 0.65 0.54 -1.11 0.00 0.00 177.39 176.24 1r1j n ARG 526 N -5.48 2.14 -3.16 1.96 5.12 -1.26 -3.99 116.66 111.98 1r1j n ARG 526 Ca 0.11 -1.70 -0.25 0.00 -1.93 0.00 0.00 57.85 54.08 1r1j n ARG 526 Cb 0.41 -1.46 -0.01 0.00 -1.16 0.00 0.00 32.46 30.24 1r1j n ARG 526 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1r1j s GLU 527 N -2.04 3.44 0.48 5.56 0.41 0.75 -5.00 118.70 122.31 1r1j s GLU 527 Ca 0.29 -0.23 -0.19 0.00 -0.41 0.00 0.00 54.97 54.42 1r1j s GLU 527 Cb 0.20 -2.58 -0.09 0.00 -1.78 0.00 0.00 34.13 29.88 1r1j s GLU 527 CO 0.33 0.02 0.99 0.15 -0.49 0.00 0.00 175.26 176.25 1r1j s LYS 528 N -4.44 3.96 0.18 1.61 1.02 -1.26 -4.15 119.74 116.65 1r1j s LYS 528 Ca 0.43 1.16 -0.31 0.00 0.02 0.00 0.00 55.97 57.26 1r1j s LYS 528 Cb -0.10 -2.13 -0.10 0.00 -0.52 0.00 0.00 37.83 34.98 1r1j s LYS 528 CO 0.38 -0.27 1.55 0.08 -0.92 0.00 0.00 175.35 176.17 1r1j s VAL 529 N -2.25 2.62 -0.24 3.17 1.01 -0.07 -4.97 120.40 119.67 1r1j s VAL 529 Ca 0.63 0.45 -0.29 0.00 0.00 0.00 0.00 61.98 62.77 1r1j s VAL 529 Cb -0.12 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1r1j s VAL 529 CO 0.21 0.04 1.45 -0.62 0.00 0.00 0.00 175.10 176.18 1r1j s ASP 530 N 1.02 6.57 0.00 3.32 -1.08 -1.26 -4.89 116.67 120.36 1r1j s ASP 530 Ca 0.68 1.47 0.29 0.00 -0.52 0.00 0.00 52.55 54.47 1r1j s ASP 530 Cb -0.44 -2.54 1.39 0.00 -1.46 0.00 0.00 42.92 39.88 1r1j s ASP 530 CO 0.33 -1.12 1.97 0.29 0.52 0.00 0.00 175.17 177.17 1r1j n LYS 531 N 7.39 0.32 0.00 4.34 5.02 -1.26 -2.80 118.16 131.16 1r1j n LYS 531 Ca 0.16 0.02 0.11 0.00 -2.02 0.00 0.00 58.31 56.58 1r1j n LYS 531 Cb 0.46 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.92 1r1j n LYS 531 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1r1j n ASP 532 N -1.33 0.78 -4.75 4.39 8.00 -1.26 -4.96 116.55 117.41 1r1j n ASP 532 Ca 0.12 -0.68 -0.41 0.00 0.71 0.00 0.00 54.79 54.53 1r1j n ASP 532 Cb 0.25 0.93 -0.02 0.00 -0.02 0.00 0.00 41.12 42.26 1r1j n ASP 532 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1r1j s GLU 533 N -3.07 4.25 0.28 -1.24 2.12 -1.12 -5.00 118.70 114.91 1r1j s GLU 533 Ca 0.07 2.34 -0.15 0.00 0.36 0.00 0.00 54.97 57.58 1r1j s GLU 533 Cb 0.16 -3.10 -0.08 0.00 0.26 0.00 0.00 34.13 31.37 1r1j s GLU 533 CO 0.84 -0.44 0.69 -1.58 -0.54 0.00 0.00 175.26 174.22 1r1j s TRP 534 N -0.04 3.45 -2.71 5.30 0.52 -1.26 -4.99 118.94 119.20 1r1j s TRP 534 Ca 0.60 1.17 0.25 0.00 0.02 0.00 0.00 56.10 58.14 1r1j s TRP 534 Cb -0.43 -2.49 0.51 0.00 -1.15 0.00 0.00 33.47 29.92 1r1j s TRP 534 CO 0.44 0.19 1.44 0.44 0.02 0.00 0.00 176.95 179.48 1r1j n ILE 535 N -0.05 0.00 -3.84 2.03 -5.35 -1.26 -4.82 119.36 106.07 1r1j n ILE 535 Ca 0.01 -0.38 -0.12 0.00 -0.27 0.00 0.00 62.75 61.99 1r1j n ILE 535 Cb 0.53 1.08 -0.13 0.00 -1.74 0.00 0.00 39.64 39.38 1r1j n ILE 535 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1r1j s SER 536 N -2.05 -0.09 1.01 7.28 0.15 -1.26 -5.11 113.70 113.63 1r1j s SER 536 Ca 0.31 0.16 -0.15 0.00 0.70 0.00 0.00 55.95 56.97 1r1j s SER 536 Cb 0.20 0.23 0.04 0.00 -1.71 0.00 0.00 66.02 64.78 1r1j s SER 536 CO 0.34 -0.08 0.19 0.61 1.20 0.00 0.00 173.24 175.49 1r1j n GLY 537 N 2.81 -2.32 0.07 9.45 0.00 -1.26 -4.93 105.19 109.01 1r1j n GLY 537 Ca -0.14 -0.75 0.12 0.00 0.00 0.00 0.00 46.02 45.25 1r1j n GLY 537 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r1j h ALA 538 N -1.68 0.65 -0.76 4.61 0.00 -1.81 -3.37 119.26 116.89 1r1j h ALA 538 Ca -0.46 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.88 1r1j h ALA 538 Cb 1.31 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.88 1r1j h ALA 538 CO 0.35 0.00 0.69 0.00 0.00 0.00 0.00 179.25 180.29 1r1j n ALA 539 N -1.83 6.11 -3.41 0.00 0.00 -1.26 -2.50 120.51 117.61 1r1j n ALA 539 Ca 0.04 -3.06 -0.24 0.00 0.00 0.00 0.00 53.44 50.17 1r1j n ALA 539 Cb 0.44 -1.81 -0.16 0.00 0.00 0.00 0.00 19.45 17.91 1r1j n ALA 539 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1r1j s VAL 540 N -3.64 1.09 -1.14 0.00 1.01 -1.26 -4.95 120.40 111.51 1r1j s VAL 540 Ca 0.52 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.88 1r1j s VAL 540 Cb 0.40 -1.00 0.15 0.00 0.00 0.00 0.00 36.38 35.93 1r1j s VAL 540 CO -0.15 0.34 1.39 -0.69 0.00 0.00 0.00 175.10 176.00 1r1j s VAL 541 N 0.61 4.82 -0.12 2.92 1.01 -1.26 -3.14 120.40 125.24 1r1j s VAL 541 Ca -0.13 -2.24 -0.33 0.00 0.00 0.00 0.00 61.98 59.28 1r1j s VAL 541 Cb -0.15 -4.92 0.14 0.00 0.00 0.00 0.00 36.38 31.45 1r1j s VAL 541 CO 0.03 -1.65 1.34 0.21 0.00 0.00 0.00 175.10 175.03 1r1j s ASN 542 N 3.25 -0.05 0.22 3.32 3.84 -1.26 -4.88 114.94 119.38 1r1j s ASN 542 Ca 0.42 -0.05 -0.00 0.00 0.21 0.00 0.00 52.86 53.44 1r1j s ASN 542 Cb -0.02 0.09 -0.04 0.00 -0.55 0.00 0.00 41.25 40.72 1r1j s ASN 542 CO -0.02 -0.15 0.14 0.00 -2.79 0.00 0.00 177.10 174.27 1r1j s ALA 543 N -2.24 1.31 -0.04 1.71 0.00 -1.26 -3.94 121.76 117.31 1r1j s ALA 543 Ca 0.13 -1.75 -0.21 0.00 0.00 0.00 0.00 51.96 50.14 1r1j s ALA 543 Cb 0.04 1.34 0.04 0.00 0.00 0.00 0.00 23.12 24.54 1r1j s ALA 543 CO -0.05 -0.57 0.45 -0.06 0.00 0.00 0.00 175.76 175.53 1r1j s PHE 544 N -4.04 -0.37 -0.04 0.00 0.08 -0.98 -5.01 117.98 107.61 1r1j s PHE 544 Ca 0.39 0.64 0.03 0.00 0.12 0.00 0.00 56.93 58.11 1r1j s PHE 544 Cb 0.07 0.21 0.00 0.00 -0.57 0.00 0.00 43.02 42.73 1r1j s PHE 544 CO 0.13 -0.46 -0.13 -0.47 -0.10 0.00 0.00 175.22 174.20 1r1j s TYR 545 N -1.17 1.35 -0.21 0.36 5.04 -1.26 -2.00 117.35 119.47 1r1j s TYR 545 Ca -0.12 -0.39 -0.04 0.00 -2.44 0.00 0.00 57.07 54.09 1r1j s TYR 545 Cb -0.03 -0.94 -0.01 0.00 0.35 0.00 0.00 41.96 41.32 1r1j s TYR 545 CO 0.06 -0.16 -0.04 0.45 -1.34 0.00 0.00 175.55 174.52 1r1j s SER 546 N 0.21 4.39 0.00 4.32 0.15 -0.61 -4.99 113.70 117.18 1r1j s SER 546 Ca -0.05 -0.34 -0.21 0.00 0.70 0.00 0.00 55.95 56.05 1r1j s SER 546 Cb -0.11 -1.75 -0.21 0.00 -1.71 0.00 0.00 66.02 62.25 1r1j s SER 546 CO 0.02 0.02 1.15 0.77 1.20 0.00 0.00 173.24 176.40 1r1j h SER 547 N 7.82 0.44 -0.97 5.45 4.64 -1.95 0.27 113.55 129.25 1r1j h SER 547 Ca -0.39 -0.69 0.28 0.00 -0.47 0.00 0.00 61.79 60.52 1r1j h SER 547 Cb 1.17 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 63.08 1r1j h SER 547 CO 0.60 1.05 0.69 1.23 -0.87 0.00 0.00 176.83 179.53 1r1j h GLY 548 N -0.15 0.17 0.00 -0.77 0.00 -1.95 -2.21 103.07 98.16 1r1j h GLY 548 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1r1j h GLY 548 CO 0.08 -0.01 -0.76 0.54 0.00 0.00 0.00 176.54 176.39 1r1j n ARG 549 N -4.29 2.79 -3.83 4.80 1.74 -1.18 -4.28 116.66 112.40 1r1j n ARG 549 Ca 0.21 -0.03 -0.33 0.00 -0.77 0.00 0.00 57.85 56.93 1r1j n ARG 549 Cb 1.00 -1.01 0.02 0.00 -1.02 0.00 0.00 32.46 31.45 1r1j n ARG 549 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1r1j n ASN 550 N -1.42 -3.68 -3.87 0.55 4.05 0.90 -4.79 115.26 107.00 1r1j n ASN 550 Ca 0.00 -1.07 -0.16 0.00 0.45 0.00 0.00 54.58 53.80 1r1j n ASN 550 Cb 0.17 -2.97 -0.15 0.00 1.23 0.00 0.00 39.78 38.05 1r1j n ASN 550 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 1r1j s GLN 551 N -6.41 0.38 -0.01 1.20 0.74 -0.85 -1.29 119.66 113.41 1r1j s GLN 551 Ca 0.35 -0.03 -0.01 0.00 0.05 0.00 0.00 55.36 55.72 1r1j s GLN 551 Cb -0.14 -0.46 -0.04 0.00 1.10 0.00 0.00 33.01 33.47 1r1j s GLN 551 CO 0.89 -0.04 0.09 0.96 -0.55 0.00 0.00 175.29 176.64 1r1j s ILE 552 N 0.57 4.80 -0.02 -2.34 -4.36 0.40 -1.58 121.20 118.68 1r1j s ILE 552 Ca -0.06 -0.36 0.01 0.00 -0.26 0.00 0.00 60.65 59.98 1r1j s ILE 552 Cb -0.09 -3.19 0.01 0.00 1.25 0.00 0.00 42.46 40.44 1r1j s ILE 552 CO -0.01 0.36 -0.03 -0.69 0.24 0.00 0.00 174.94 174.82 1r1j s VAL 553 N -1.19 0.32 -0.41 8.37 1.01 -0.85 -0.15 120.40 127.50 1r1j s VAL 553 Ca 0.23 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1r1j s VAL 553 Cb -0.12 -0.34 0.13 0.00 0.00 0.00 0.00 36.38 36.05 1r1j s VAL 553 CO 0.14 0.14 0.22 -0.36 0.00 0.00 0.00 175.10 175.24 1r1j s PHE 554 N 0.51 1.78 0.72 5.22 0.08 0.13 -2.32 117.98 124.11 1r1j s PHE 554 Ca -0.06 -2.25 -0.16 0.00 0.12 0.00 0.00 56.93 54.59 1r1j s PHE 554 Cb -0.09 -1.74 0.03 0.00 -0.57 0.00 0.00 43.02 40.66 1r1j s PHE 554 CO -0.01 -0.80 1.26 -2.14 -0.10 0.00 0.00 175.22 173.43 1r1j s PRO 555 N 0.57 2.10 0.45 0.24 0.02 -1.25 -0.63 135.00 136.50 1r1j s PRO 555 Ca 0.17 1.93 0.28 0.00 0.02 0.00 0.00 61.00 63.40 1r1j s PRO 555 Cb -0.24 -1.81 1.35 0.00 0.02 0.00 0.00 34.50 33.82 1r1j s PRO 555 CO -0.02 -1.91 1.70 0.00 -0.33 0.00 0.00 177.00 176.44 1r1j h ALA 556 N -0.15 2.69 -0.33 -1.55 0.00 -1.07 -2.47 119.26 116.38 1r1j h ALA 556 Ca -0.49 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1r1j h ALA 556 Cb 1.32 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1r1j h ALA 556 CO 0.50 -1.19 0.06 0.78 0.00 0.00 0.00 179.25 179.40 1r1j h GLY 557 N 0.18 0.51 1.34 0.00 0.00 -1.48 0.14 103.07 103.76 1r1j h GLY 557 Ca 0.71 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1r1j h GLY 557 CO -0.29 0.25 -0.37 4.51 0.00 0.00 0.00 176.54 180.64 1r1j n ILE 558 N -4.34 0.12 -1.76 2.60 3.06 -0.93 -4.53 119.36 113.57 1r1j n ILE 558 Ca 0.02 -0.08 -0.41 0.00 -2.50 0.00 0.00 62.75 59.78 1r1j n ILE 558 Cb 0.19 -0.07 -0.01 0.00 0.54 0.00 0.00 39.64 40.29 1r1j n ILE 558 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1r1j n LEU 559 N -1.68 7.44 -3.61 9.51 4.77 0.50 -4.58 117.00 129.35 1r1j n LEU 559 Ca 0.05 -4.37 -0.09 0.00 -0.03 0.00 0.00 56.01 51.58 1r1j n LEU 559 Cb 0.37 -1.57 -0.02 0.00 -2.33 0.00 0.00 43.42 39.87 1r1j n LEU 559 CO 0.33 1.50 0.51 0.00 -1.33 0.00 0.00 177.39 178.41 1r1j s GLN 560 N 1.99 1.34 0.49 3.23 -2.07 -1.24 -4.87 119.66 118.52 1r1j s GLN 560 Ca 0.52 -0.62 -0.24 0.00 -1.82 0.00 0.00 55.36 53.20 1r1j s GLN 560 Cb 0.15 0.53 -0.07 0.00 -1.09 0.00 0.00 33.01 32.53 1r1j s GLN 560 CO -0.07 -0.60 1.40 -2.14 -1.32 0.00 0.00 175.29 172.56 1r1j s PRO 561 N -3.63 3.47 0.00 9.60 0.02 -0.52 -1.84 135.00 142.10 1r1j s PRO 561 Ca 0.06 2.34 0.28 0.00 0.02 0.00 0.00 61.00 63.70 1r1j s PRO 561 Cb -0.03 -2.50 0.96 0.00 0.02 0.00 0.00 34.50 32.96 1r1j s PRO 561 CO -0.04 -0.96 1.70 -0.35 -0.33 0.00 0.00 177.00 177.01 1r1j n PRO 562 N -0.53 1.73 -0.04 5.54 -0.04 -1.26 -4.84 135.00 135.57 1r1j n PRO 562 Ca 0.07 -1.06 -0.13 0.00 -0.04 0.00 0.00 63.50 62.34 1r1j n PRO 562 Cb 0.43 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 32.33 1r1j n PRO 562 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1r1j h PHE 563 N 2.58 0.30 -3.27 0.54 0.04 -1.65 -3.43 116.94 112.05 1r1j h PHE 563 Ca 0.00 -0.09 -0.22 0.00 2.80 0.00 0.00 57.97 60.46 1r1j h PHE 563 Cb 0.55 -0.06 -0.30 0.00 2.20 0.00 0.00 35.95 38.34 1r1j h PHE 563 CO 0.00 0.67 -0.57 0.12 -0.60 0.00 0.00 178.31 177.93 1r1j s PHE 564 N -4.28 -0.18 -0.13 -0.55 5.36 -0.89 -1.65 117.98 115.65 1r1j s PHE 564 Ca -0.15 0.49 -0.14 0.00 -0.96 0.00 0.00 56.93 56.17 1r1j s PHE 564 Cb 0.04 -0.03 0.04 0.00 -0.34 0.00 0.00 43.02 42.73 1r1j s PHE 564 CO 0.73 -0.15 0.40 0.45 -1.46 0.00 0.00 175.22 175.19 1r1j s SER 565 N 0.85 -0.40 0.65 6.13 0.15 -1.26 -1.44 113.70 118.39 1r1j s SER 565 Ca -0.06 0.73 0.34 0.00 0.70 0.00 0.00 55.95 57.66 1r1j s SER 565 Cb -0.08 0.76 1.86 0.00 -1.71 0.00 0.00 66.02 66.84 1r1j s SER 565 CO -0.04 -0.18 2.08 0.00 1.20 0.00 0.00 173.24 176.29 1r1j h ALA 566 N 5.30 1.36 0.00 5.45 0.00 -1.99 -2.60 119.26 126.77 1r1j h ALA 566 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1r1j h ALA 566 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1r1j h ALA 566 CO 0.27 -0.25 -1.00 1.04 0.00 0.00 0.00 179.25 179.31 1r1j n GLN 567 N -3.13 1.62 -2.31 0.00 3.00 -1.26 -4.98 117.38 110.32 1r1j n GLN 567 Ca -0.01 -0.04 -0.26 0.00 -0.01 0.00 0.00 57.00 56.68 1r1j n GLN 567 Cb 0.30 -1.25 0.05 0.00 0.00 0.00 0.00 30.24 29.35 1r1j n GLN 567 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 1r1j s GLN 568 N -2.59 2.46 0.43 -1.09 -2.07 -0.98 -4.71 119.66 111.10 1r1j s GLN 568 Ca 0.02 -0.23 -0.25 0.00 -1.82 0.00 0.00 55.36 53.08 1r1j s GLN 568 Cb 0.11 -2.23 -0.08 0.00 -1.09 0.00 0.00 33.01 29.71 1r1j s GLN 568 CO 0.61 -1.01 1.29 -1.12 -1.32 0.00 0.00 175.29 173.74 1r1j s SER 569 N -4.44 6.20 0.37 12.60 0.01 -1.26 -4.87 113.70 122.30 1r1j s SER 569 Ca 0.58 2.61 0.04 0.00 1.31 0.00 0.00 55.95 60.49 1r1j s SER 569 Cb -0.11 -2.63 0.70 0.00 0.21 0.00 0.00 66.02 64.19 1r1j s SER 569 CO 0.44 -0.92 1.98 0.78 0.41 0.00 0.00 173.24 175.93 1r1j h ASN 570 N 2.48 0.57 -0.89 2.44 2.35 -1.95 0.03 115.58 120.61 1r1j h ASN 570 Ca -0.50 -0.04 0.24 0.00 -0.55 0.00 0.00 56.30 55.45 1r1j h ASN 570 Cb 1.25 -0.14 -0.15 0.00 0.05 0.00 0.00 38.32 39.32 1r1j h ASN 570 CO 0.62 0.48 0.13 0.77 -1.65 0.00 0.00 177.43 177.78 1r1j h SER 571 N 0.64 -0.21 0.02 5.81 4.64 -1.90 -1.46 113.55 121.10 1r1j h SER 571 Ca 0.16 0.22 -0.26 0.00 -0.47 0.00 0.00 61.79 61.45 1r1j h SER 571 Cb 0.05 0.35 0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1r1j h SER 571 CO -0.02 -0.23 -0.99 -0.07 -0.87 0.00 0.00 176.83 174.65 1r1j h LEU 572 N 0.12 0.87 -0.20 5.97 3.38 -1.30 -2.49 115.31 121.65 1r1j h LEU 572 Ca 0.54 -0.67 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1r1j h LEU 572 Cb 1.09 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1r1j h LEU 572 CO -0.74 1.47 -0.12 0.78 0.09 0.00 0.00 178.44 179.93 1r1j h ASN 573 N 0.40 0.45 -0.48 -0.43 2.35 -0.92 0.17 115.58 117.13 1r1j h ASN 573 Ca -0.11 -0.43 -0.02 0.00 -0.55 0.00 0.00 56.30 55.20 1r1j h ASN 573 Cb 1.64 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.86 1r1j h ASN 573 CO 0.19 0.78 0.23 1.88 -1.65 0.00 0.00 177.43 178.86 1r1j h TYR 574 N 0.13 0.69 0.00 1.19 0.05 -1.38 0.20 116.97 117.85 1r1j h TYR 574 Ca 0.04 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1r1j h TYR 574 Cb 0.62 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.14 1r1j h TYR 574 CO 0.07 0.55 0.00 0.41 -1.05 0.00 0.00 178.16 178.14 1r1j n GLY 575 N -0.90 -1.35 0.00 3.88 0.00 -0.94 -1.14 105.19 104.74 1r1j n GLY 575 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1r1j n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r1j n GLY 576 N 0.20 -0.06 0.21 -0.02 0.00 0.58 -3.08 105.19 103.02 1r1j n GLY 576 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1r1j n GLY 576 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1r1j h ILE 577 N 0.00 1.04 -0.46 -0.61 6.09 -0.13 -2.22 117.51 121.23 1r1j h ILE 577 Ca 0.00 -0.95 0.07 0.00 -1.37 0.00 0.00 64.86 62.61 1r1j h ILE 577 Cb 0.00 1.53 -0.06 0.00 0.47 0.00 0.00 36.82 38.76 1r1j h ILE 577 CO 0.00 0.26 0.12 1.23 -3.07 0.00 0.00 178.15 176.69 1r1j h GLY 578 N 0.97 0.57 1.94 8.18 0.00 -0.51 0.30 103.07 114.52 1r1j h GLY 578 Ca -0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 1r1j h GLY 578 CO 0.03 -0.03 -0.32 0.00 0.00 0.00 0.00 176.54 176.22 1r1j h MET 579 N 0.26 0.00 -0.59 4.80 -0.00 -0.55 -2.70 114.93 116.16 1r1j h MET 579 Ca 0.22 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.85 1r1j h MET 579 Cb 0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.84 1r1j h MET 579 CO -0.27 0.26 0.06 0.28 -0.00 0.00 0.00 176.91 177.25 1r1j h VAL 580 N 0.00 1.25 -0.38 -0.10 2.07 -0.88 -1.27 116.25 116.95 1r1j h VAL 580 Ca -0.01 -1.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.43 1r1j h VAL 580 Cb 1.21 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1r1j h VAL 580 CO 0.03 0.37 -0.01 0.40 0.02 0.00 0.00 177.57 178.39 1r1j h ILE 581 N 0.91 1.26 -0.52 4.57 2.04 -0.66 -2.14 117.51 122.96 1r1j h ILE 581 Ca 0.18 -1.01 -0.06 0.00 1.00 0.00 0.00 64.86 64.97 1r1j h ILE 581 Cb 0.44 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1r1j h ILE 581 CO 0.02 0.34 0.08 1.23 0.00 0.00 0.00 178.15 179.81 1r1j h GLY 582 N 0.49 0.94 -0.39 5.37 0.00 -1.44 -1.63 103.07 106.41 1r1j h GLY 582 Ca 0.11 -0.63 0.07 0.00 0.00 0.00 0.00 47.33 46.87 1r1j h GLY 582 CO 0.02 0.58 -0.48 0.84 0.00 0.00 0.00 176.54 177.50 1r1j h HIS 583 N 0.75 -1.44 -0.35 5.60 -0.00 -1.10 0.25 115.15 118.86 1r1j h HIS 583 Ca 0.16 0.08 -0.10 0.00 -0.00 0.00 0.00 60.37 60.50 1r1j h HIS 583 Cb 0.41 0.69 -0.01 0.00 -0.00 0.00 0.00 27.41 28.50 1r1j h HIS 583 CO 0.03 -0.46 -0.21 0.93 -0.00 0.00 0.00 177.93 178.23 1r1j h GLU 584 N -0.33 0.67 -0.38 5.26 4.39 -1.08 -2.12 114.58 120.99 1r1j h GLU 584 Ca 0.12 -0.25 -0.15 0.00 0.34 0.00 0.00 59.36 59.42 1r1j h GLU 584 Cb 0.58 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1r1j h GLU 584 CO -0.61 0.83 -0.34 0.82 -1.16 0.00 0.00 179.01 178.55 1r1j h ILE 585 N 0.59 1.28 0.00 3.13 2.04 -1.02 -2.94 117.51 120.60 1r1j h ILE 585 Ca 0.09 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.44 1r1j h ILE 585 Cb 0.67 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1r1j h ILE 585 CO 0.05 0.50 0.00 0.74 0.00 0.00 0.00 178.15 179.44 1r1j h THR 586 N 0.72 0.00 0.00 -0.27 2.02 0.00 -0.67 112.91 114.72 1r1j h THR 586 Ca 0.07 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1r1j h THR 586 Cb 0.93 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1r1j h THR 586 CO 0.09 0.00 -0.14 0.45 0.37 0.00 0.00 175.52 176.28 1r1j h HIS 587 N 0.00 0.00 0.00 3.16 3.86 -1.20 -0.77 115.15 120.19 1r1j h HIS 587 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1r1j h HIS 587 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1r1j h HIS 587 CO 0.00 0.14 0.00 0.78 0.86 0.00 0.00 177.93 179.71 1r1j h GLY 588 N 1.01 0.00 -1.51 2.45 0.00 -1.23 -3.11 103.07 100.68 1r1j h GLY 588 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1r1j h GLY 588 CO 0.02 0.00 -0.60 0.69 0.00 0.00 0.00 176.54 176.65 1r1j n PHE 589 N -2.52 0.00 -2.57 5.60 3.72 -0.33 -2.81 117.46 118.55 1r1j n PHE 589 Ca 0.00 -0.80 0.00 0.00 -0.05 0.00 0.00 57.45 56.60 1r1j n PHE 589 Cb 0.17 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 1r1j n PHE 589 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1r1j n ASP 590 N -0.42 0.00 0.19 4.37 5.68 -1.01 -4.53 116.55 120.83 1r1j n ASP 590 Ca 0.11 -0.88 0.14 0.00 -0.50 0.00 0.00 54.79 53.66 1r1j n ASP 590 Cb 0.84 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.41 1r1j n ASP 590 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1r1j h ASP 591 N 0.00 0.00 0.00 -1.12 2.03 -1.91 -0.25 116.42 115.17 1r1j h ASP 591 Ca 0.00 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.09 1r1j h ASP 591 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 1r1j h ASP 591 CO 0.00 0.00 -1.45 -3.20 -1.03 0.00 0.00 179.24 173.56 1r1j n ASN 592 N -2.56 1.89 -0.30 4.15 2.85 -1.26 -4.69 115.26 115.34 1r1j n ASN 592 Ca 0.01 0.42 0.13 0.00 -0.11 0.00 0.00 54.58 55.04 1r1j n ASN 592 Cb 0.24 -0.86 0.61 0.00 1.24 0.00 0.00 39.78 41.01 1r1j n ASN 592 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1r1j n GLY 593 N 1.42 -0.35 0.15 8.20 0.00 -0.85 -1.84 105.19 111.93 1r1j n GLY 593 Ca -0.31 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.51 1r1j n GLY 593 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1r1j h ARG 594 N 1.37 0.00 -0.00 1.61 0.11 -0.90 -3.29 114.38 113.28 1r1j h ARG 594 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1r1j h ARG 594 Cb 0.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 1r1j h ARG 594 CO 0.00 0.00 -0.03 0.09 0.10 0.00 0.00 179.97 180.13 1r1j n ASN 595 N -2.60 0.08 -4.53 0.08 3.02 -0.77 -4.78 115.26 105.76 1r1j n ASN 595 Ca 0.05 -0.03 -0.31 0.00 -0.03 0.00 0.00 54.58 54.26 1r1j n ASN 595 Cb 0.47 -0.30 -0.11 0.00 -0.61 0.00 0.00 39.78 39.23 1r1j n ASN 595 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1r1j s PHE 596 N -2.69 2.73 0.12 3.10 0.08 -1.24 -2.04 117.98 118.04 1r1j s PHE 596 Ca 0.24 -0.14 0.02 0.00 0.12 0.00 0.00 56.93 57.16 1r1j s PHE 596 Cb 0.20 -1.53 0.02 0.00 -0.57 0.00 0.00 43.02 41.14 1r1j s PHE 596 CO 0.49 0.32 0.16 0.27 -0.10 0.00 0.00 175.22 176.37 1r1j n ASN 597 N 1.49 0.40 0.13 1.36 2.04 -0.25 -4.88 115.26 115.54 1r1j n ASN 597 Ca -0.15 -1.29 0.10 0.00 -0.44 0.00 0.00 54.58 52.79 1r1j n ASN 597 Cb 0.52 -0.09 0.48 0.00 -2.53 0.00 0.00 39.78 38.17 1r1j n ASN 597 CO 0.00 0.00 0.00 2.29 -0.44 0.00 0.00 177.26 179.11 1r1j n LYS 598 N -1.26 0.13 -0.04 -3.83 2.85 -1.26 -1.00 118.16 113.74 1r1j n LYS 598 Ca 0.03 0.57 0.06 0.00 -1.05 0.00 0.00 58.31 57.92 1r1j n LYS 598 Cb 0.12 -1.87 0.07 0.00 -0.65 0.00 0.00 35.03 32.70 1r1j n LYS 598 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1r1j n ASP 599 N -2.13 2.20 0.00 -5.58 8.00 -1.26 -4.85 116.55 112.94 1r1j n ASP 599 Ca -0.00 -1.60 0.00 0.00 0.71 0.00 0.00 54.79 53.89 1r1j n ASP 599 Cb 0.07 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1r1j n ASP 599 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r1j n GLY 600 N 0.65 0.55 3.76 0.44 0.00 -0.17 -4.75 105.19 105.67 1r1j n GLY 600 Ca 0.08 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 1r1j n GLY 600 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r1j s ASP 601 N -2.38 6.59 -0.82 1.61 1.01 -1.26 -4.39 116.67 117.03 1r1j s ASP 601 Ca 0.00 0.69 -0.25 0.00 0.71 0.00 0.00 52.55 53.70 1r1j s ASP 601 Cb 0.00 -2.22 -0.09 0.00 1.01 0.00 0.00 42.92 41.62 1r1j s ASP 601 CO 0.00 0.15 2.20 -0.22 0.21 0.00 0.00 175.17 177.52 1r1j s LEU 602 N 0.02 3.02 -0.08 1.23 0.20 0.25 -1.09 118.68 122.23 1r1j s LEU 602 Ca 0.20 -0.19 -0.08 0.00 0.69 0.00 0.00 54.13 54.75 1r1j s LEU 602 Cb -0.14 -2.55 0.02 0.00 -0.43 0.00 0.00 46.19 43.09 1r1j s LEU 602 CO 0.08 -3.33 0.22 0.54 -0.29 0.00 0.00 176.35 173.56 1r1j s VAL 603 N 12.61 0.01 -0.22 1.68 0.11 -0.87 -4.73 120.40 128.98 1r1j s VAL 603 Ca 0.83 -0.05 -0.29 0.00 -2.93 0.00 0.00 61.98 59.54 1r1j s VAL 603 Cb -0.11 -0.33 -0.00 0.00 -1.53 0.00 0.00 36.38 34.41 1r1j s VAL 603 CO 0.06 -0.03 1.21 -0.62 -3.33 0.00 0.00 175.10 172.39 1r1j s ASP 604 N 0.00 6.91 -0.03 3.54 -1.08 -1.26 -4.54 116.67 120.21 1r1j s ASP 604 Ca -0.01 1.46 0.05 0.00 -0.52 0.00 0.00 52.55 53.53 1r1j s ASP 604 Cb -0.02 -2.54 0.08 0.00 -1.46 0.00 0.00 42.92 38.98 1r1j s ASP 604 CO 0.00 -0.83 1.05 -2.67 0.52 0.00 0.00 175.17 173.25 1r1j n TRP 605 N 6.80 0.02 -3.70 -5.34 4.27 -1.26 -5.01 117.44 113.23 1r1j n TRP 605 Ca 0.14 -0.62 -0.36 0.00 -3.89 0.00 0.00 57.50 52.76 1r1j n TRP 605 Cb 0.46 -0.08 -0.06 0.00 -1.36 0.00 0.00 31.31 30.27 1r1j n TRP 605 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 1r1j s TRP 606 N -1.46 3.62 0.71 -2.67 0.52 -1.26 -4.80 118.94 113.60 1r1j s TRP 606 Ca 0.09 0.70 -0.13 0.00 0.02 0.00 0.00 56.10 56.77 1r1j s TRP 606 Cb 0.07 -2.08 0.02 0.00 -1.15 0.00 0.00 33.47 30.34 1r1j s TRP 606 CO 0.01 0.64 1.11 0.95 0.02 0.00 0.00 176.95 179.69 1r1j s THR 607 N -1.19 3.17 0.24 2.01 -4.23 -1.26 -4.88 115.64 109.50 1r1j s THR 607 Ca 0.24 0.49 -0.06 0.00 -1.18 0.00 0.00 61.69 61.18 1r1j s THR 607 Cb -0.14 -2.99 0.20 0.00 1.34 0.00 0.00 72.50 70.92 1r1j s THR 607 CO 0.13 -0.39 1.84 1.56 -0.54 0.00 0.00 174.62 177.21 1r1j h GLN 608 N -0.39 0.87 -0.07 3.99 7.50 -1.99 -0.96 115.11 124.05 1r1j h GLN 608 Ca -0.46 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 58.63 1r1j h GLN 608 Cb 1.25 -0.20 -0.00 0.00 0.05 0.00 0.00 27.48 28.58 1r1j h GLN 608 CO 0.53 0.58 0.00 0.37 -1.50 0.00 0.00 178.83 178.80 1r1j h GLN 609 N 0.90 0.13 -0.55 1.46 5.75 -1.98 -0.34 115.11 120.47 1r1j h GLN 609 Ca 0.37 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.75 1r1j h GLN 609 Cb 0.21 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 1r1j h GLN 609 CO -0.19 0.38 0.03 0.77 -2.65 0.00 0.00 178.83 177.18 1r1j h SER 610 N -0.15 0.88 -0.55 -0.69 0.02 -1.78 0.20 113.55 111.48 1r1j h SER 610 Ca 0.02 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 1r1j h SER 610 Cb 0.32 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1r1j h SER 610 CO 0.00 0.92 0.21 0.00 -1.14 0.00 0.00 176.83 176.83 1r1j h ALA 611 N 1.18 0.71 -0.33 3.77 0.00 -1.11 0.85 119.26 124.34 1r1j h ALA 611 Ca 0.17 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1r1j h ALA 611 Cb 0.46 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1r1j h ALA 611 CO 0.02 0.33 -0.27 1.03 0.00 0.00 0.00 179.25 180.36 1r1j h SER 612 N 0.75 0.68 -0.43 0.00 0.87 -0.55 -2.21 113.55 112.66 1r1j h SER 612 Ca 0.18 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 1r1j h SER 612 Cb 0.21 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1r1j h SER 612 CO -0.01 0.91 0.19 0.78 -0.53 0.00 0.00 176.83 178.17 1r1j h ASN 613 N 0.57 0.58 -0.46 6.23 2.35 -0.38 -1.96 115.58 122.52 1r1j h ASN 613 Ca 0.08 -0.15 0.08 0.00 -0.55 0.00 0.00 56.30 55.75 1r1j h ASN 613 Cb 0.75 -0.15 -0.07 0.00 0.05 0.00 0.00 38.32 38.91 1r1j h ASN 613 CO 0.06 0.57 0.07 0.15 -1.65 0.00 0.00 177.43 176.63 1r1j h PHE 614 N 0.56 0.10 -0.68 1.19 3.04 -0.46 0.50 116.94 121.19 1r1j h PHE 614 Ca 0.15 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.14 1r1j h PHE 614 Cb 0.16 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.66 1r1j h PHE 614 CO -0.00 -0.03 0.44 0.87 -2.02 0.00 0.00 178.31 177.57 1r1j h LYS 615 N 0.20 0.87 -0.20 1.11 1.57 -1.34 -0.58 116.57 118.19 1r1j h LYS 615 Ca 0.23 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1r1j h LYS 615 Cb 0.31 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1r1j h LYS 615 CO -0.32 0.57 0.11 0.93 -0.57 0.00 0.00 179.45 180.17 1r1j h GLU 616 N 0.89 0.27 -0.49 3.15 5.08 -0.27 0.77 114.58 123.99 1r1j h GLU 616 Ca 0.26 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.47 1r1j h GLU 616 Cb -0.07 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1r1j h GLU 616 CO -0.07 0.25 -0.13 1.96 -1.00 0.00 0.00 179.01 180.02 1r1j h GLN 617 N 0.22 0.96 0.00 2.33 1.08 0.16 -2.96 115.11 116.89 1r1j h GLN 617 Ca 0.07 -0.37 -0.13 0.00 -1.45 0.00 0.00 58.65 56.77 1r1j h GLN 617 Cb 0.06 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1r1j h GLN 617 CO -0.01 1.04 -0.63 0.66 -0.95 0.00 0.00 178.83 178.94 1r1j h SER 618 N 0.81 0.00 -0.52 1.46 4.64 -0.98 -2.87 113.55 116.10 1r1j h SER 618 Ca 0.12 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.56 1r1j h SER 618 Cb 0.70 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.76 1r1j h SER 618 CO 0.05 0.63 0.36 -0.61 -0.87 0.00 0.00 176.83 176.39 1r1j h GLN 619 N 0.00 0.18 -0.96 4.77 5.75 -0.66 0.58 115.11 124.77 1r1j h GLN 619 Ca -0.01 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.55 1r1j h GLN 619 Cb 1.16 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 29.61 1r1j h GLN 619 CO 0.08 0.12 0.61 0.00 -2.65 0.00 0.00 178.83 176.99 1r1j h MET 621 N 1.10 0.35 -0.57 0.00 2.86 -1.05 -1.34 114.93 116.28 1r1j h MET 621 Ca 0.42 -0.33 0.08 0.00 -2.06 0.00 0.00 59.70 57.82 1r1j h MET 621 Cb 0.19 0.08 -0.07 0.00 0.06 0.00 0.00 31.60 31.86 1r1j h MET 621 CO -0.18 0.99 0.20 0.28 1.06 0.00 0.00 176.91 179.26 1r1j h VAL 622 N 0.22 0.79 -0.07 -2.22 2.07 -0.98 -1.60 116.25 114.45 1r1j h VAL 622 Ca -0.05 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 1r1j h VAL 622 Cb 1.41 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1r1j h VAL 622 CO 0.14 0.07 -0.20 1.88 0.02 0.00 0.00 177.57 179.47 1r1j h TYR 623 N 0.38 0.34 0.29 1.57 0.05 -1.28 -0.65 116.97 117.68 1r1j h TYR 623 Ca 0.28 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.93 1r1j h TYR 623 Cb 0.33 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 37.98 1r1j h TYR 623 CO -0.17 0.82 -0.49 0.37 -1.05 0.00 0.00 178.16 177.64 1r1j h GLN 624 N -0.23 -0.81 -0.21 4.88 4.15 -1.10 -1.63 115.11 120.17 1r1j h GLN 624 Ca -0.00 0.06 -0.19 0.00 0.77 0.00 0.00 58.65 59.28 1r1j h GLN 624 Cb 0.82 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.69 1r1j h GLN 624 CO 0.04 -0.54 -0.64 1.88 -1.93 0.00 0.00 178.83 177.64 1r1j h TYR 625 N -0.84 0.96 0.00 3.99 -1.99 -1.39 -2.28 116.97 115.42 1r1j h TYR 625 Ca -0.02 -0.38 0.00 0.00 2.00 0.00 0.00 58.73 60.33 1r1j h TYR 625 Cb 0.79 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 39.35 1r1j h TYR 625 CO -0.35 1.18 0.05 0.41 -0.00 0.00 0.00 178.16 179.46 1r1j n GLY 626 N 0.47 -0.70 0.00 3.88 0.00 -0.25 -1.08 105.19 107.51 1r1j n GLY 626 Ca -0.05 0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.19 1r1j n GLY 626 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1r1j n ASN 627 N -1.97 0.70 -4.71 1.61 3.02 -0.63 -4.47 115.26 108.82 1r1j n ASN 627 Ca -0.01 -0.60 -0.42 0.00 -0.03 0.00 0.00 54.58 53.52 1r1j n ASN 627 Cb 0.07 1.36 -0.03 0.00 -0.61 0.00 0.00 39.78 40.57 1r1j n ASN 627 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1r1j s PHE 628 N -3.08 2.90 0.07 3.10 0.08 -0.24 -4.97 117.98 115.83 1r1j s PHE 628 Ca 0.02 0.50 0.06 0.00 0.12 0.00 0.00 56.93 57.62 1r1j s PHE 628 Cb 0.14 -3.99 -0.04 0.00 -0.57 0.00 0.00 43.02 38.57 1r1j s PHE 628 CO 0.83 -3.73 -0.09 -1.54 -0.10 0.00 0.00 175.22 170.58 1r1j s SER 629 N 1.41 4.43 -0.29 1.36 1.04 -1.26 -1.63 113.70 118.75 1r1j s SER 629 Ca 0.72 -0.31 -0.01 0.00 0.48 0.00 0.00 55.95 56.82 1r1j s SER 629 Cb -0.44 -0.90 0.05 0.00 0.10 0.00 0.00 66.02 64.83 1r1j s SER 629 CO 0.32 0.21 -0.02 0.86 0.98 0.00 0.00 173.24 175.59 1r1j s TRP 630 N -1.13 3.25 0.22 5.02 -0.00 -0.04 -4.93 118.94 121.32 1r1j s TRP 630 Ca 0.20 -1.90 -0.07 0.00 -0.00 0.00 0.00 56.10 54.33 1r1j s TRP 630 Cb -0.11 -2.08 0.35 0.00 -0.00 0.00 0.00 33.47 31.63 1r1j s TRP 630 CO 0.11 -0.81 1.74 0.38 -0.00 0.00 0.00 176.95 178.38 1r1j h ASP 631 N 7.97 0.27 0.54 5.86 -0.00 -1.89 -0.46 116.42 128.71 1r1j h ASP 631 Ca -0.22 0.09 0.00 0.00 -0.00 0.00 0.00 57.03 56.90 1r1j h ASP 631 Cb 1.06 0.06 0.00 0.00 -0.00 0.00 0.00 39.33 40.45 1r1j h ASP 631 CO 0.53 0.14 0.00 -0.07 -0.00 0.00 0.00 179.24 179.84 1r1j h LEU 632 N 0.45 0.00 -3.70 0.15 3.38 -1.96 0.52 115.31 114.15 1r1j h LEU 632 Ca 0.35 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.92 1r1j h LEU 632 Cb 0.47 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.98 1r1j h LEU 632 CO -0.34 0.00 0.24 0.00 0.09 0.00 0.00 178.44 178.43 1r1j n ALA 633 N -1.93 5.14 -2.96 1.53 0.00 -0.48 -4.23 120.51 117.57 1r1j n ALA 633 Ca -0.00 -3.19 -0.18 0.00 0.00 0.00 0.00 53.44 50.07 1r1j n ALA 633 Cb 0.18 -1.10 0.04 0.00 0.00 0.00 0.00 19.45 18.57 1r1j n ALA 633 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r1j n GLY 634 N -1.06 -0.24 2.37 0.00 0.00 0.18 -2.81 105.19 103.63 1r1j n GLY 634 Ca 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1r1j n GLY 634 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r1j n GLY 635 N -1.43 2.37 3.56 -0.02 0.00 -0.30 -4.98 105.19 104.38 1r1j n GLY 635 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1r1j n GLY 635 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1r1j n GLN 636 N -2.00 0.81 -3.32 1.61 6.02 -1.12 -3.93 117.38 115.45 1r1j n GLN 636 Ca 0.00 0.31 -0.31 0.00 -0.01 0.00 0.00 57.00 56.99 1r1j n GLN 636 Cb 0.00 -1.96 -0.05 0.00 1.02 0.00 0.00 30.24 29.25 1r1j n GLN 636 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1r1j s HIS 637 N -1.55 3.44 0.56 1.08 3.76 -1.26 -0.87 115.29 120.45 1r1j s HIS 637 Ca 0.71 0.85 -0.21 0.00 -0.15 0.00 0.00 55.06 56.26 1r1j s HIS 637 Cb -0.45 -2.25 -0.04 0.00 1.11 0.00 0.00 32.58 30.94 1r1j s HIS 637 CO 0.51 0.19 1.33 1.28 -0.85 0.00 0.00 174.74 177.20 1r1j n LEU 638 N -0.50 5.47 -4.60 0.89 4.77 -0.65 -4.94 117.00 117.45 1r1j n LEU 638 Ca 0.00 0.95 -0.43 0.00 -0.03 0.00 0.00 56.01 56.51 1r1j n LEU 638 Cb 0.53 -1.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.04 1r1j n LEU 638 CO 0.46 -0.71 1.10 0.21 -1.33 0.00 0.00 177.39 177.13 1r1j s ASN 639 N -0.98 6.50 0.46 -1.43 3.84 -1.26 -4.33 114.94 117.73 1r1j s ASN 639 Ca 0.73 0.51 0.26 0.00 0.21 0.00 0.00 52.86 54.57 1r1j s ASN 639 Cb -0.41 -2.55 0.77 0.00 -0.55 0.00 0.00 41.25 38.50 1r1j s ASN 639 CO 0.48 -1.36 1.76 1.23 -2.79 0.00 0.00 177.10 176.42 1r1j h GLY 640 N 11.68 0.00 0.12 1.21 0.00 -1.87 -2.71 103.07 111.50 1r1j h GLY 640 Ca -0.25 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 1r1j h GLY 640 CO 1.13 0.00 -0.29 -2.22 0.00 0.00 0.00 176.54 175.16 1r1j h ILE 641 N 0.00 1.65 0.00 2.60 2.04 -1.91 -3.21 117.51 118.68 1r1j h ILE 641 Ca -0.00 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.49 1r1j h ILE 641 Cb 0.84 3.23 0.00 0.00 -0.74 0.00 0.00 36.82 40.15 1r1j h ILE 641 CO 0.01 0.60 0.00 0.78 0.00 0.00 0.00 178.15 179.55 1r1j h ASN 642 N -0.88 0.00 -0.03 1.72 2.35 -1.93 -1.67 115.58 115.15 1r1j h ASN 642 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1r1j h ASN 642 Cb 1.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1r1j h ASN 642 CO 0.00 0.00 -0.04 0.35 -1.65 0.00 0.00 177.43 176.09 1r1j n THR 643 N -3.08 0.00 -0.00 2.81 -2.24 -1.03 -4.56 114.28 106.17 1r1j n THR 643 Ca -0.01 -0.46 -0.09 0.00 -2.27 0.00 0.00 64.05 61.22 1r1j n THR 643 Cb 0.23 1.40 -0.03 0.00 -2.10 0.00 0.00 70.33 69.83 1r1j n THR 643 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1r1j h LEU 644 N 4.34 -0.32 -0.32 3.22 5.85 -1.30 0.76 115.31 127.54 1r1j h LEU 644 Ca 0.00 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1r1j h LEU 644 Cb 0.94 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1r1j h LEU 644 CO 0.00 -0.14 0.13 1.23 -0.34 0.00 0.00 178.44 179.32 1r1j h GLY 645 N -0.12 0.42 1.42 3.75 0.00 -1.84 0.19 103.07 106.89 1r1j h GLY 645 Ca 0.08 -0.08 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1r1j h GLY 645 CO -0.19 0.05 -0.51 0.83 0.00 0.00 0.00 176.54 176.71 1r1j h GLU 646 N 0.28 0.62 -0.82 4.80 4.39 -1.56 -0.44 114.58 121.84 1r1j h GLU 646 Ca 0.14 -0.37 -0.02 0.00 0.34 0.00 0.00 59.36 59.45 1r1j h GLU 646 Cb 0.10 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 1r1j h GLU 646 CO -0.13 0.98 0.43 -0.91 -1.16 0.00 0.00 179.01 178.22 1r1j h ASN 647 N 0.48 1.04 -0.37 1.42 2.35 -0.26 -1.63 115.58 118.61 1r1j h ASN 647 Ca 0.02 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1r1j h ASN 647 Cb 1.06 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 1r1j h ASN 647 CO 0.10 0.85 0.13 0.40 -1.65 0.00 0.00 177.43 177.26 1r1j h ILE 648 N 1.14 1.21 -0.98 2.81 2.04 -0.25 -2.13 117.51 121.34 1r1j h ILE 648 Ca 0.29 -0.66 0.10 0.00 1.00 0.00 0.00 64.86 65.59 1r1j h ILE 648 Cb 0.06 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 37.01 1r1j h ILE 648 CO -0.04 0.23 0.63 0.00 0.00 0.00 0.00 178.15 178.97 1r1j h ALA 649 N 0.97 1.51 0.10 1.87 0.00 -0.90 -0.27 119.26 122.53 1r1j h ALA 649 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1r1j h ALA 649 Cb 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1r1j h ALA 649 CO -0.01 0.28 -0.05 -0.44 0.00 0.00 0.00 179.25 179.04 1r1j h ASP 650 N 1.03 -0.11 -0.49 0.00 3.45 -1.00 0.44 116.42 119.74 1r1j h ASP 650 Ca 0.46 -0.41 -0.07 0.00 0.43 0.00 0.00 57.03 57.45 1r1j h ASP 650 Cb 0.38 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.16 1r1j h ASP 650 CO -0.22 0.38 0.07 0.78 -1.57 0.00 0.00 179.24 178.68 1r1j h ASN 651 N -0.63 0.84 -0.16 6.45 2.35 -1.31 0.74 115.58 123.86 1r1j h ASN 651 Ca -0.01 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.49 1r1j h ASN 651 Cb 0.51 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 1r1j h ASN 651 CO 0.02 0.86 -0.14 1.23 -1.65 0.00 0.00 177.43 177.76 1r1j h GLY 652 N 1.00 0.41 1.04 2.83 0.00 -1.08 -3.01 103.07 104.26 1r1j h GLY 652 Ca 0.17 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1r1j h GLY 652 CO 0.01 0.37 0.20 -1.33 0.00 0.00 0.00 176.54 175.79 1r1j h GLY 653 N 0.03 1.14 0.92 4.60 0.00 -0.72 -0.97 103.07 108.08 1r1j h GLY 653 Ca 0.03 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 1r1j h GLY 653 CO 0.03 0.64 -0.10 -2.00 0.00 0.00 0.00 176.54 175.12 1r1j h LEU 654 N 0.99 -0.24 -0.86 3.11 5.85 -0.92 -1.70 115.31 121.55 1r1j h LEU 654 Ca 0.22 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1r1j h LEU 654 Cb 0.32 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 1r1j h LEU 654 CO -0.00 -0.10 0.52 1.23 -0.34 0.00 0.00 178.44 179.75 1r1j h GLY 655 N -0.36 1.33 0.94 3.75 0.00 -1.42 -0.47 103.07 106.83 1r1j h GLY 655 Ca -0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1r1j h GLY 655 CO 0.05 0.19 0.14 1.46 0.00 0.00 0.00 176.54 178.38 1r1j h GLN 656 N 0.90 0.40 -0.31 4.80 4.20 -0.98 -1.87 115.11 122.26 1r1j h GLN 656 Ca 0.40 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 59.00 1r1j h GLN 656 Cb 0.29 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1r1j h GLN 656 CO -0.22 0.37 -0.04 0.00 -0.67 0.00 0.00 178.83 178.28 1r1j h ALA 657 N 1.01 0.42 -0.74 3.87 0.00 -0.63 -1.48 119.26 121.71 1r1j h ALA 657 Ca 0.10 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 54.85 1r1j h ALA 657 Cb 0.10 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 1r1j h ALA 657 CO -0.01 0.21 0.36 -0.92 0.00 0.00 0.00 179.25 178.89 1r1j h TYR 658 N 0.35 0.65 -0.73 0.00 3.20 -1.03 0.25 116.97 119.65 1r1j h TYR 658 Ca 0.08 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 1r1j h TYR 658 Cb 0.50 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 1r1j h TYR 658 CO 0.04 0.21 0.20 0.00 -1.64 0.00 0.00 178.16 176.98 1r1j h ARG 659 N 0.60 1.16 -0.44 1.82 3.08 -0.75 -0.52 114.38 119.33 1r1j h ARG 659 Ca 0.37 -0.26 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1r1j h ARG 659 Cb 0.42 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1r1j h ARG 659 CO -0.29 1.00 -0.09 0.00 -1.07 0.00 0.00 179.97 179.52 1r1j h ALA 660 N 1.11 1.03 -0.40 0.04 0.00 -0.40 -0.38 119.26 120.26 1r1j h ALA 660 Ca 0.23 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1r1j h ALA 660 Cb 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1r1j h ALA 660 CO -0.00 0.59 -0.01 -0.92 0.00 0.00 0.00 179.25 178.91 1r1j h TYR 661 N 0.70 0.78 -0.24 0.00 3.20 -0.36 0.59 116.97 121.65 1r1j h TYR 661 Ca 0.12 -0.14 0.05 0.00 3.14 0.00 0.00 58.73 61.90 1r1j h TYR 661 Cb 0.56 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 1r1j h TYR 661 CO 0.03 0.80 -0.06 1.96 -1.64 0.00 0.00 178.16 179.24 1r1j h GLN 662 N 0.54 -0.00 -0.98 1.82 4.20 -0.85 0.60 115.11 120.43 1r1j h GLN 662 Ca 0.11 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.92 1r1j h GLN 662 Cb 0.50 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.20 1r1j h GLN 662 CO 0.02 -0.00 0.62 -0.91 -0.67 0.00 0.00 178.83 177.89 1r1j h ASN 663 N -0.01 0.94 -0.28 1.46 2.35 -0.82 -0.55 115.58 118.67 1r1j h ASN 663 Ca 0.11 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1r1j h ASN 663 Cb 0.18 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1r1j h ASN 663 CO -0.25 0.54 0.14 0.22 -1.65 0.00 0.00 177.43 176.43 1r1j h TYR 664 N 1.03 0.41 -0.23 1.19 5.03 0.55 -1.90 116.97 123.05 1r1j h TYR 664 Ca 0.46 -0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.77 1r1j h TYR 664 Cb 0.37 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.50 1r1j h TYR 664 CO -0.01 0.37 0.09 0.82 -1.32 0.00 0.00 178.16 178.11 1r1j h ILE 665 N 0.33 0.97 -0.75 1.81 2.04 -0.41 0.39 117.51 121.88 1r1j h ILE 665 Ca 0.10 -0.07 0.12 0.00 1.00 0.00 0.00 64.86 66.01 1r1j h ILE 665 Cb 0.11 0.74 -0.13 0.00 -0.74 0.00 0.00 36.82 36.80 1r1j h ILE 665 CO -0.01 0.04 -0.38 0.50 0.00 0.00 0.00 178.15 178.30 1r1j h LYS 666 N 0.21 -0.10 0.04 2.37 3.64 -0.82 0.11 116.57 122.02 1r1j h LYS 666 Ca 0.10 0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.24 1r1j h LYS 666 Cb 0.05 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1r1j h LYS 666 CO -0.08 -0.07 -1.03 -0.22 -2.27 0.00 0.00 179.45 175.77 1r1j h LYS 667 N -0.11 0.39 0.00 1.90 3.64 -0.92 -3.38 116.57 118.09 1r1j h LYS 667 Ca 0.26 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1r1j h LYS 667 Cb 0.57 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1r1j h LYS 667 CO -0.80 1.15 -0.89 0.09 -2.27 0.00 0.00 179.45 176.73 1r1j n ASN 668 N -3.70 3.32 0.00 4.20 3.02 0.09 -5.11 115.26 117.08 1r1j n ASN 668 Ca -0.08 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 1r1j n ASN 668 Cb 0.89 1.10 0.00 0.00 -0.61 0.00 0.00 39.78 41.16 1r1j n ASN 668 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r1j n GLY 669 N 2.03 0.16 3.94 7.41 0.00 0.36 -5.01 105.19 114.09 1r1j n GLY 669 Ca -0.00 -1.82 -0.24 0.00 0.00 0.00 0.00 46.02 43.96 1r1j n GLY 669 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r1j s GLU 670 N -2.03 3.42 0.15 1.61 2.56 -1.26 -4.46 118.70 118.69 1r1j s GLU 670 Ca 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 54.97 54.59 1r1j s GLU 670 Cb 0.00 -2.63 -0.06 0.00 2.00 0.00 0.00 34.13 33.44 1r1j s GLU 670 CO 0.00 0.06 0.39 -1.21 -0.56 0.00 0.00 175.26 173.94 1r1j s GLU 671 N -4.38 3.64 0.32 4.30 2.02 -1.26 -5.04 118.70 118.30 1r1j s GLU 671 Ca 0.42 -0.05 -0.27 0.00 0.02 0.00 0.00 54.97 55.08 1r1j s GLU 671 Cb -0.10 -2.83 -0.13 0.00 0.10 0.00 0.00 34.13 31.17 1r1j s GLU 671 CO 0.37 0.45 1.04 1.63 0.02 0.00 0.00 175.26 178.78 1r1j n LYS 672 N 0.08 1.46 -1.64 1.61 5.02 -1.26 -4.97 118.16 118.46 1r1j n LYS 672 Ca -0.02 0.51 -0.30 0.00 -2.02 0.00 0.00 58.31 56.48 1r1j n LYS 672 Cb 0.52 -1.94 0.08 0.00 -0.02 0.00 0.00 35.03 33.67 1r1j n LYS 672 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1r1j s LEU 673 N 0.12 2.67 -0.07 -0.35 1.43 -1.14 -4.60 118.68 116.73 1r1j s LEU 673 Ca 0.59 1.25 -0.11 0.00 -1.03 0.00 0.00 54.13 54.83 1r1j s LEU 673 Cb -0.66 -3.91 -0.05 0.00 0.03 0.00 0.00 46.19 41.60 1r1j s LEU 673 CO 0.60 -1.81 0.27 -0.76 0.23 0.00 0.00 176.35 174.88 1r1j s LEU 674 N -5.67 4.41 0.47 1.79 1.43 -1.26 -0.84 118.68 119.02 1r1j s LEU 674 Ca 0.60 0.69 -0.22 0.00 -1.03 0.00 0.00 54.13 54.16 1r1j s LEU 674 Cb -0.13 -2.32 -0.07 0.00 0.03 0.00 0.00 46.19 43.69 1r1j s LEU 674 CO 0.53 0.34 1.16 -2.16 0.23 0.00 0.00 176.35 176.46 1r1j s PRO 675 N -0.89 3.69 0.00 1.29 0.04 -1.26 -3.38 135.00 134.49 1r1j s PRO 675 Ca 0.19 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1r1j s PRO 675 Cb -0.14 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1r1j s PRO 675 CO 0.08 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.93 1r1j n GLY 676 N 0.41 2.46 3.09 0.56 0.00 -1.26 -4.86 105.19 105.60 1r1j n GLY 676 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1r1j n GLY 676 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r1j s LEU 677 N 0.00 2.32 -1.02 0.99 1.43 -1.22 -5.01 118.68 116.17 1r1j s LEU 677 Ca 0.00 -0.78 -0.06 0.00 -1.03 0.00 0.00 54.13 52.26 1r1j s LEU 677 Cb 0.00 -1.44 -0.00 0.00 0.03 0.00 0.00 46.19 44.78 1r1j s LEU 677 CO 0.00 -0.05 2.79 0.47 0.23 0.00 0.00 176.35 179.79 1r1j n ASP 678 N 4.61 7.49 -4.02 2.29 8.00 -1.26 -4.76 116.55 128.89 1r1j n ASP 678 Ca -0.19 -2.92 -0.16 0.00 0.71 0.00 0.00 54.79 52.23 1r1j n ASP 678 Cb 0.48 -1.39 -0.13 0.00 -0.02 0.00 0.00 41.12 40.06 1r1j n ASP 678 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1r1j s LEU 679 N -1.27 2.11 0.80 0.64 1.43 -1.26 -5.16 118.68 115.97 1r1j s LEU 679 Ca 0.61 -0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 53.36 1r1j s LEU 679 Cb 0.25 -0.30 0.15 0.00 0.03 0.00 0.00 46.19 46.32 1r1j s LEU 679 CO -0.10 -0.02 1.11 0.54 0.23 0.00 0.00 176.35 178.11 1r1j s ASN 680 N -0.72 3.93 0.32 2.29 2.20 -1.26 -4.79 114.94 116.90 1r1j s ASN 680 Ca -0.02 -0.17 0.17 0.00 -0.94 0.00 0.00 52.86 51.90 1r1j s ASN 680 Cb -0.05 -0.10 0.29 0.00 -2.00 0.00 0.00 41.25 39.39 1r1j s ASN 680 CO 0.00 -2.16 1.55 0.45 -2.94 0.00 0.00 177.10 174.00 1r1j h HIS 681 N -0.90 0.00 -0.41 1.54 3.86 -1.97 -0.45 115.15 116.82 1r1j h HIS 681 Ca -0.39 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 58.86 1r1j h HIS 681 Cb 1.26 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.69 1r1j h HIS 681 CO -0.52 0.45 0.20 0.87 0.86 0.00 0.00 177.93 179.80 1r1j h LYS 682 N 0.00 0.39 -0.53 2.45 1.57 -1.98 -0.10 116.57 118.37 1r1j h LYS 682 Ca -0.00 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1r1j h LYS 682 Cb 1.22 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1r1j h LYS 682 CO 0.06 0.26 0.09 1.96 -0.57 0.00 0.00 179.45 181.24 1r1j h GLN 683 N 0.40 0.87 -0.26 3.15 4.20 -1.54 -2.82 115.11 119.12 1r1j h GLN 683 Ca 0.18 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 1r1j h GLN 683 Cb 0.10 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1r1j h GLN 683 CO -0.13 0.85 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.54 1r1j h LEU 684 N 0.76 0.51 -0.42 1.46 3.38 -0.93 -0.54 115.31 119.53 1r1j h LEU 684 Ca 0.16 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.04 1r1j h LEU 684 Cb 0.40 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 1r1j h LEU 684 CO 0.01 0.76 -0.21 0.15 0.09 0.00 0.00 178.44 179.24 1r1j h PHE 685 N 0.44 -0.54 -0.02 1.13 3.04 -0.75 -0.08 116.94 120.15 1r1j h PHE 685 Ca 0.06 0.05 -0.23 0.00 3.98 0.00 0.00 57.97 61.83 1r1j h PHE 685 Cb 0.70 0.30 0.00 0.00 2.56 0.00 0.00 35.95 39.52 1r1j h PHE 685 CO 0.02 -0.29 -0.91 0.74 -2.02 0.00 0.00 178.31 175.85 1r1j h PHE 686 N -0.13 0.71 -0.34 0.41 -1.00 -1.40 -2.54 116.94 112.65 1r1j h PHE 686 Ca 0.20 -0.37 0.07 0.00 2.81 0.00 0.00 57.97 60.69 1r1j h PHE 686 Cb 0.45 -0.09 -0.08 0.00 3.61 0.00 0.00 35.95 39.84 1r1j h PHE 686 CO -0.46 1.18 -0.22 1.25 -1.61 0.00 0.00 178.31 178.45 1r1j h LEU 687 N 0.29 -0.73 -0.24 1.54 6.46 -0.70 0.09 115.31 122.02 1r1j h LEU 687 Ca -0.08 0.15 -0.12 0.00 -0.12 0.00 0.00 57.88 57.71 1r1j h LEU 687 Cb 1.54 0.37 -0.00 0.00 -0.73 0.00 0.00 40.66 41.84 1r1j h LEU 687 CO 0.16 -0.25 -0.33 -1.13 -0.62 0.00 0.00 178.44 176.27 1r1j h ASN 688 N -0.18 0.70 -0.98 1.25 -0.00 -1.01 -0.73 115.58 114.63 1r1j h ASN 688 Ca 0.17 -0.51 0.16 0.00 -0.00 0.00 0.00 56.30 56.12 1r1j h ASN 688 Cb 0.44 -0.20 -0.16 0.00 -0.00 0.00 0.00 38.32 38.40 1r1j h ASN 688 CO -0.44 1.07 -0.37 0.15 -0.00 0.00 0.00 177.43 177.84 1r1j h PHE 689 N 0.34 -1.01 -0.48 0.67 3.04 -1.31 -1.67 116.94 116.53 1r1j h PHE 689 Ca 0.03 0.10 -0.07 0.00 3.98 0.00 0.00 57.97 62.01 1r1j h PHE 689 Cb 0.91 0.59 -0.02 0.00 2.56 0.00 0.00 35.95 39.99 1r1j h PHE 689 CO 0.08 -0.41 0.01 0.00 -2.02 0.00 0.00 178.31 175.97 1r1j h ALA 690 N 1.44 1.12 0.00 2.41 0.00 -0.04 -3.13 119.26 121.06 1r1j h ALA 690 Ca 0.36 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1r1j h ALA 690 Cb 0.61 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1r1j h ALA 690 CO -0.98 0.56 -0.30 1.96 0.00 0.00 0.00 179.25 180.50 1r1j h GLN 691 N 0.74 0.00 -1.16 0.00 4.20 -0.27 -1.37 115.11 117.25 1r1j h GLN 691 Ca 0.15 0.00 0.34 0.00 0.06 0.00 0.00 58.65 59.19 1r1j h GLN 691 Cb 0.43 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 1r1j h GLN 691 CO 0.02 0.00 0.99 0.28 -0.67 0.00 0.00 178.83 179.45 1r1j h VAL 692 N 0.00 0.21 -0.05 -0.54 2.07 -1.33 -2.69 116.25 113.93 1r1j h VAL 692 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1r1j h VAL 692 Cb 0.97 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1r1j h VAL 692 CO 0.00 0.00 0.00 0.79 0.02 0.00 0.00 177.57 178.38 1r1j n TRP 693 N -3.78 0.12 -1.95 1.57 7.02 -0.52 -4.20 117.44 115.71 1r1j n TRP 693 Ca 0.25 -0.80 -0.42 0.00 -1.02 0.00 0.00 57.50 55.51 1r1j n TRP 693 Cb 1.36 -0.13 -0.03 0.00 -2.42 0.00 0.00 31.31 30.09 1r1j n TRP 693 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1r1j n GLY 695 N 3.79 -0.81 3.83 0.00 0.00 -1.26 -1.32 105.19 109.42 1r1j n GLY 695 Ca 0.14 -1.31 -0.08 0.00 0.00 0.00 0.00 46.02 44.77 1r1j n GLY 695 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1r1j s THR 696 N -2.00 0.00 0.07 2.61 -1.32 -0.38 -4.90 115.64 109.71 1r1j s THR 696 Ca 0.00 -1.01 0.06 0.00 -1.21 0.00 0.00 61.69 59.53 1r1j s THR 696 Cb 0.00 -2.45 -0.03 0.00 -1.51 0.00 0.00 72.50 68.52 1r1j s THR 696 CO 0.00 0.00 -0.17 -0.31 -2.21 0.00 0.00 174.62 171.93 1r1j s TYR 697 N -3.11 1.43 0.34 9.09 2.02 -1.26 -2.18 117.35 123.67 1r1j s TYR 697 Ca 0.14 -0.41 -0.28 0.00 -0.37 0.00 0.00 57.07 56.15 1r1j s TYR 697 Cb -0.05 -0.81 -0.09 0.00 -0.40 0.00 0.00 41.96 40.60 1r1j s TYR 697 CO 0.09 0.09 1.16 1.03 -1.57 0.00 0.00 175.55 176.36 1r1j s ARG 698 N -1.56 4.36 0.23 -0.62 0.52 -0.61 -4.90 118.95 116.37 1r1j s ARG 698 Ca 0.02 1.88 -0.10 0.00 -0.52 0.00 0.00 55.73 57.01 1r1j s ARG 698 Cb -0.09 -2.95 0.34 0.00 0.52 0.00 0.00 34.95 32.77 1r1j s ARG 698 CO 0.02 -0.07 1.64 -1.35 0.02 0.00 0.00 175.30 175.57 1r1j h PRO 699 N 3.25 0.09 -0.82 3.54 0.11 -1.91 0.12 132.00 136.38 1r1j h PRO 699 Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1r1j h PRO 699 Cb 1.22 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1r1j h PRO 699 CO 0.65 0.06 0.50 0.93 -0.21 0.00 0.00 178.00 179.92 1r1j h GLU 700 N 0.09 1.12 -0.00 1.05 3.07 -1.88 -1.44 114.58 116.58 1r1j h GLU 700 Ca 0.36 -0.10 -0.19 0.00 -0.50 0.00 0.00 59.36 58.93 1r1j h GLU 700 Cb 0.59 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1r1j h GLU 700 CO -0.61 0.78 -0.85 -0.92 -1.40 0.00 0.00 179.01 176.01 1r1j h TYR 701 N 1.13 0.24 -0.99 4.33 -0.00 -1.35 -2.82 116.97 117.52 1r1j h TYR 701 Ca 0.30 -0.13 0.03 0.00 -0.00 0.00 0.00 58.73 58.93 1r1j h TYR 701 Cb -0.05 -0.03 -0.06 0.00 -0.00 0.00 0.00 36.73 36.60 1r1j h TYR 701 CO -0.00 0.93 0.65 0.00 -0.00 0.00 0.00 178.16 179.74 1r1j h ALA 702 N 1.02 1.30 0.00 1.82 0.00 -0.23 0.93 119.26 124.11 1r1j h ALA 702 Ca -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1r1j h ALA 702 Cb 1.47 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1r1j h ALA 702 CO 0.13 0.55 -0.16 0.28 0.00 0.00 0.00 179.25 180.05 1r1j h VAL 703 N 1.26 0.66 0.03 0.00 2.07 -1.15 -2.34 116.25 116.78 1r1j h VAL 703 Ca 0.39 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1r1j h VAL 703 Cb -0.02 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1r1j h VAL 703 CO -0.12 0.15 -0.02 -1.13 0.02 0.00 0.00 177.57 176.48 1r1j h ASN 704 N 0.00 -0.04 0.96 0.57 -0.00 -0.84 -3.38 115.58 112.85 1r1j h ASN 704 Ca -0.00 -0.65 -0.21 0.00 -0.00 0.00 0.00 56.30 55.43 1r1j h ASN 704 Cb 0.41 0.01 -0.03 0.00 -0.00 0.00 0.00 38.32 38.70 1r1j h ASN 704 CO 0.02 0.74 -1.08 0.77 -0.00 0.00 0.00 177.43 177.88 1r1j h SER 705 N -0.92 0.00 -0.97 1.15 4.64 -0.81 -1.04 113.55 115.60 1r1j h SER 705 Ca -0.00 0.00 0.27 0.00 -0.47 0.00 0.00 61.79 61.59 1r1j h SER 705 Cb 0.69 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.73 1r1j h SER 705 CO 0.01 0.93 0.69 -0.29 -0.87 0.00 0.00 176.83 177.29 1r1j h ILE 706 N 0.00 0.53 0.01 0.95 2.10 -1.63 0.17 117.51 119.64 1r1j h ILE 706 Ca -0.06 -0.03 -0.34 0.00 1.08 0.00 0.00 64.86 65.51 1r1j h ILE 706 Cb 1.76 0.45 -0.06 0.00 -1.09 0.00 0.00 36.82 37.88 1r1j h ILE 706 CO 0.11 0.01 -2.12 0.29 -1.08 0.00 0.00 178.15 175.37 1r1j n LYS 707 N -4.31 0.67 -0.00 2.19 4.76 -0.89 -4.42 118.16 116.17 1r1j n LYS 707 Ca 0.21 0.14 0.04 0.00 -2.87 0.00 0.00 58.31 55.83 1r1j n LYS 707 Cb 0.99 -1.64 -0.05 0.00 -1.84 0.00 0.00 35.03 32.49 1r1j n LYS 707 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1r1j n THR 708 N -2.98 0.00 -3.47 -0.18 -2.24 -0.45 -4.94 114.28 100.02 1r1j n THR 708 Ca -0.29 -0.25 -0.37 0.00 -2.27 0.00 0.00 64.05 60.87 1r1j n THR 708 Cb 1.09 0.67 -0.08 0.00 -2.10 0.00 0.00 70.33 69.92 1r1j n THR 708 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1r1j s ASP 709 N -2.28 6.40 0.06 3.42 -1.08 0.54 -4.95 116.67 118.77 1r1j s ASP 709 Ca 0.00 0.46 0.25 0.00 -0.52 0.00 0.00 52.55 52.74 1r1j s ASP 709 Cb 0.05 -2.20 1.01 0.00 -1.46 0.00 0.00 42.92 40.32 1r1j s ASP 709 CO 0.31 -0.01 1.78 1.33 0.52 0.00 0.00 175.17 179.11 1r1j n VAL 710 N 4.11 0.39 -3.12 1.11 0.24 -1.26 -4.71 118.33 115.08 1r1j n VAL 710 Ca -0.10 0.03 -0.38 0.00 -2.04 0.00 0.00 64.34 61.84 1r1j n VAL 710 Cb 0.51 -0.68 -0.06 0.00 -1.47 0.00 0.00 33.84 32.15 1r1j n VAL 710 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1r1j s HIS 711 N -3.04 3.80 0.47 6.34 3.76 -1.26 -4.08 115.29 121.28 1r1j s HIS 711 Ca 0.11 1.43 -0.24 0.00 -0.15 0.00 0.00 55.06 56.21 1r1j s HIS 711 Cb 0.15 -2.62 -0.07 0.00 1.11 0.00 0.00 32.58 31.14 1r1j s HIS 711 CO 0.47 0.50 1.33 -1.12 -0.85 0.00 0.00 174.74 175.07 1r1j s SER 712 N -1.27 5.85 0.51 1.40 0.01 -1.26 -4.96 113.70 113.98 1r1j s SER 712 Ca 0.35 2.71 -0.21 0.00 1.31 0.00 0.00 55.95 60.11 1r1j s SER 712 Cb -0.20 -2.64 -0.08 0.00 0.21 0.00 0.00 66.02 63.31 1r1j s SER 712 CO 0.22 -1.17 0.94 -2.65 0.41 0.00 0.00 173.24 170.99 1r1j n PRO 713 N -0.40 1.10 -0.26 12.44 -0.02 -1.26 -4.67 135.00 141.93 1r1j n PRO 713 Ca 0.07 0.41 0.05 0.00 -2.02 0.00 0.00 63.50 62.00 1r1j n PRO 713 Cb 0.44 -2.06 0.28 0.00 -0.02 0.00 0.00 33.50 32.15 1r1j n PRO 713 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1r1j h GLY 714 N 1.00 1.18 1.10 -1.23 0.00 -1.95 0.24 103.07 103.42 1r1j h GLY 714 Ca -0.46 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 46.52 1r1j h GLY 714 CO 0.53 0.27 0.55 3.45 0.00 0.00 0.00 176.54 181.35 1r1j h ASN 715 N 0.93 0.91 0.78 0.19 -1.07 -1.90 -2.12 115.58 113.30 1r1j h ASN 715 Ca 0.36 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.72 1r1j h ASN 715 Cb 0.22 -0.22 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1r1j h ASN 715 CO -0.13 0.64 -0.56 0.49 0.07 0.00 0.00 177.43 177.93 1r1j n PHE 716 N -4.44 0.39 -0.05 4.14 3.01 -0.00 -1.25 117.46 119.27 1r1j n PHE 716 Ca 0.10 0.11 -0.14 0.00 1.01 0.00 0.00 57.45 58.54 1r1j n PHE 716 Cb 0.08 -0.55 -0.08 0.00 -0.01 0.00 0.00 39.48 38.93 1r1j n PHE 716 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1r1j h ARG 717 N 0.00 0.35 0.25 -1.08 3.08 -0.82 0.23 114.38 116.39 1r1j h ARG 717 Ca 0.00 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1r1j h ARG 717 Cb 0.67 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.70 1r1j h ARG 717 CO 0.00 0.78 -0.51 0.82 -1.07 0.00 0.00 179.97 179.99 1r1j h ILE 718 N -0.06 0.02 -0.18 2.04 2.04 -1.41 -2.25 117.51 117.71 1r1j h ILE 718 Ca 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1r1j h ILE 718 Cb 0.75 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1r1j h ILE 718 CO 0.04 0.00 0.05 0.40 0.00 0.00 0.00 178.15 178.64 1r1j h ILE 719 N -0.83 1.19 -0.59 -0.67 2.04 -1.13 -1.15 117.51 116.37 1r1j h ILE 719 Ca -0.02 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 1r1j h ILE 719 Cb 0.79 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1r1j h ILE 719 CO -0.21 0.19 0.12 1.23 0.00 0.00 0.00 178.15 179.47 1r1j h GLY 720 N 0.10 1.04 0.64 5.37 0.00 -1.03 -0.75 103.07 108.44 1r1j h GLY 720 Ca 0.06 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 1r1j h GLY 720 CO -0.00 0.63 -0.11 -0.84 0.00 0.00 0.00 176.54 176.22 1r1j h THR 721 N 0.87 1.38 -0.03 4.70 2.02 -1.25 -2.74 112.91 117.87 1r1j h THR 721 Ca 0.18 -1.32 -0.18 0.00 0.77 0.00 0.00 66.41 65.86 1r1j h THR 721 Cb 0.39 2.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 1r1j h THR 721 CO 0.01 0.37 -0.78 -0.07 0.37 0.00 0.00 175.52 175.42 1r1j h LEU 722 N -0.22 0.31 -1.32 2.58 3.38 -1.21 -1.85 115.31 116.98 1r1j h LEU 722 Ca 0.01 -0.22 0.27 0.00 0.09 0.00 0.00 57.88 58.03 1r1j h LEU 722 Cb 0.65 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.21 1r1j h LEU 722 CO 0.03 0.97 0.67 1.56 0.09 0.00 0.00 178.44 181.76 1r1j h GLN 723 N 0.16 0.38 -0.01 1.13 4.20 -1.13 -0.04 115.11 119.80 1r1j h GLN 723 Ca -0.03 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1r1j h GLN 723 Cb 1.36 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1r1j h GLN 723 CO 0.12 0.25 -0.12 0.09 -0.67 0.00 0.00 178.83 178.51 1r1j n ASN 724 N -4.66 0.86 -4.33 1.46 3.02 -0.72 -4.46 115.26 106.43 1r1j n ASN 724 Ca 0.26 -0.94 -0.41 0.00 -0.03 0.00 0.00 54.58 53.46 1r1j n ASN 724 Cb 0.90 0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.98 1r1j n ASN 724 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1r1j s SER 725 N -2.32 5.79 0.26 6.41 0.15 -0.03 -4.72 113.70 119.23 1r1j s SER 725 Ca 0.31 -1.27 -0.05 0.00 0.70 0.00 0.00 55.95 55.64 1r1j s SER 725 Cb 0.20 -2.04 0.31 0.00 -1.71 0.00 0.00 66.02 62.78 1r1j s SER 725 CO 0.44 -0.50 1.89 0.00 1.20 0.00 0.00 173.24 176.27 1r1j h ALA 726 N 8.49 1.25 -0.18 5.45 0.00 -1.87 -2.61 119.26 129.79 1r1j h ALA 726 Ca -0.25 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1r1j h ALA 726 Cb 1.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1r1j h ALA 726 CO 0.75 0.61 -0.06 0.93 0.00 0.00 0.00 179.25 181.48 1r1j h GLU 727 N 1.16 0.27 -0.25 0.00 3.07 -1.94 -1.94 114.58 114.95 1r1j h GLU 727 Ca 0.30 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.06 1r1j h GLU 727 Cb 0.01 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1r1j h GLU 727 CO -0.05 0.35 -0.04 0.35 -1.40 0.00 0.00 179.01 178.22 1r1j h PHE 728 N 0.26 0.52 0.00 4.33 3.04 -1.78 -2.35 116.94 120.96 1r1j h PHE 728 Ca 0.06 -0.10 -0.06 0.00 3.98 0.00 0.00 57.97 61.85 1r1j h PHE 728 Cb 0.28 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 1r1j h PHE 728 CO 0.00 0.66 -0.28 0.77 -2.02 0.00 0.00 178.31 177.44 1r1j h SER 729 N 0.22 0.00 0.49 0.41 0.02 -1.33 -2.16 113.55 111.20 1r1j h SER 729 Ca 0.07 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1r1j h SER 729 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1r1j h SER 729 CO 0.02 0.28 -0.23 -0.08 -1.14 0.00 0.00 176.83 175.68 1r1j h GLU 730 N 0.00 -0.63 -0.91 3.45 4.22 -1.35 0.25 114.58 119.61 1r1j h GLU 730 Ca -0.00 0.04 0.20 0.00 0.08 0.00 0.00 59.36 59.68 1r1j h GLU 730 Cb 0.72 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.05 1r1j h GLU 730 CO 0.04 -0.33 0.60 0.00 -2.18 0.00 0.00 179.01 177.13 1r1j h ALA 731 N -0.52 2.13 -0.27 2.92 0.00 -1.11 -2.39 119.26 120.01 1r1j h ALA 731 Ca -0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1r1j h ALA 731 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1r1j h ALA 731 CO 0.11 -0.42 0.00 1.19 0.00 0.00 0.00 179.25 180.13 1r1j n PHE 732 N -4.54 0.36 -3.50 0.00 3.72 -0.84 -4.84 117.46 107.84 1r1j n PHE 732 Ca 0.19 -0.51 -0.19 0.00 -0.05 0.00 0.00 57.45 56.90 1r1j n PHE 732 Cb 0.67 -0.04 0.07 0.00 -0.94 0.00 0.00 39.48 39.24 1r1j n PHE 732 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1r1j n HIS 733 N 0.27 -2.13 -3.05 1.38 8.25 0.60 -4.88 115.22 115.65 1r1j n HIS 733 Ca 0.09 0.88 -0.40 0.00 -0.26 0.00 0.00 57.72 58.03 1r1j n HIS 733 Cb 0.39 -4.68 -0.05 0.00 1.12 0.00 0.00 29.99 26.77 1r1j n HIS 733 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r1j n ARG 735 N 4.76 2.65 -0.92 0.00 1.74 -1.26 -4.90 116.66 118.72 1r1j n ARG 735 Ca 0.00 0.93 -0.32 0.00 -0.77 0.00 0.00 57.85 57.69 1r1j n ARG 735 Cb 0.50 -2.67 -0.02 0.00 -1.02 0.00 0.00 32.46 29.25 1r1j n ARG 735 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1r1j n LYS 736 N 0.91 0.00 -1.00 5.56 4.01 -1.26 -1.28 118.16 125.10 1r1j n LYS 736 Ca 0.03 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.77 1r1j n LYS 736 Cb 0.38 -0.68 -0.03 0.00 -0.51 0.00 0.00 35.03 34.19 1r1j n LYS 736 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1r1j n ASN 737 N 1.27 -3.39 -4.61 4.39 3.02 0.69 -4.91 115.26 111.72 1r1j n ASN 737 Ca 0.12 0.16 -0.40 0.00 -0.03 0.00 0.00 54.58 54.43 1r1j n ASN 737 Cb 0.15 -2.70 0.02 0.00 -0.61 0.00 0.00 39.78 36.65 1r1j n ASN 737 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1r1j n SER 738 N 0.09 1.11 -0.26 6.41 3.41 -0.41 -4.90 113.62 119.08 1r1j n SER 738 Ca -0.07 0.97 0.14 0.00 -0.26 0.00 0.00 58.87 59.65 1r1j n SER 738 Cb 0.35 -1.36 0.42 0.00 -0.26 0.00 0.00 64.21 63.36 1r1j n SER 738 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1r1j h TYR 739 N 1.26 0.74 -0.00 7.33 5.03 -1.83 0.92 116.97 130.42 1r1j h TYR 739 Ca -0.46 0.02 0.00 0.00 2.58 0.00 0.00 58.73 60.87 1r1j h TYR 739 Cb 1.34 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 39.39 1r1j h TYR 739 CO 0.42 0.25 -0.10 -1.33 -1.32 0.00 0.00 178.16 176.08 1r1j n MET 740 N -4.56 0.60 -3.24 1.82 2.81 -0.97 -4.35 117.12 109.25 1r1j n MET 740 Ca 0.18 -0.18 -0.24 0.00 -1.81 0.00 0.00 57.70 55.65 1r1j n MET 740 Cb 0.53 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.48 1r1j n MET 740 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1r1j n ASN 741 N -1.04 1.31 -4.77 7.83 5.15 0.32 -3.93 115.26 120.13 1r1j n ASN 741 Ca 0.14 -2.95 -0.40 0.00 -0.60 0.00 0.00 54.58 50.76 1r1j n ASN 741 Cb 0.27 -0.64 -0.02 0.00 -0.53 0.00 0.00 39.78 38.86 1r1j n ASN 741 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1r1j s PRO 742 N -1.74 4.31 0.20 1.20 0.04 -1.22 0.25 135.00 138.05 1r1j s PRO 742 Ca 0.37 2.17 -0.10 0.00 0.04 0.00 0.00 61.00 63.49 1r1j s PRO 742 Cb 0.19 -3.03 0.25 0.00 0.04 0.00 0.00 34.50 31.95 1r1j s PRO 742 CO -0.08 -0.21 1.77 1.49 0.04 0.00 0.00 177.00 180.01 1r1j h GLU 743 N 3.29 0.50 -5.73 4.56 4.22 -1.95 -3.40 114.58 116.07 1r1j h GLU 743 Ca -0.49 -0.03 -0.60 0.00 0.08 0.00 0.00 59.36 58.32 1r1j h GLU 743 Cb 1.23 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 30.27 1r1j h GLU 743 CO 0.65 0.33 0.38 0.21 -2.18 0.00 0.00 179.01 178.40 1r1j s LYS 744 N -6.10 4.18 -0.06 1.92 2.20 -1.26 -5.04 119.74 115.58 1r1j s LYS 744 Ca -0.13 0.85 0.04 0.00 -0.36 0.00 0.00 55.97 56.37 1r1j s LYS 744 Cb 0.16 -3.64 -0.00 0.00 -1.51 0.00 0.00 37.83 32.84 1r1j s LYS 744 CO 0.75 -0.47 -0.18 0.15 -0.36 0.00 0.00 175.35 175.24 1r1j s LYS 745 N 2.68 2.05 0.26 4.03 1.02 -1.26 -4.96 119.74 123.56 1r1j s LYS 745 Ca 0.33 -0.64 -0.28 0.00 0.02 0.00 0.00 55.97 55.39 1r1j s LYS 745 Cb -0.15 -1.71 -0.09 0.00 -0.52 0.00 0.00 37.83 35.36 1r1j s LYS 745 CO 0.08 0.20 0.92 0.00 -0.92 0.00 0.00 175.35 175.64 1r1j s ARG 747 N -1.42 0.30 0.00 0.00 6.06 -1.26 -4.84 118.95 117.80 1r1j s ARG 747 Ca 0.43 0.56 0.00 0.00 -2.50 0.00 0.00 55.73 54.22 1r1j s ARG 747 Cb -0.24 -0.01 0.00 0.00 0.06 0.00 0.00 34.95 34.77 1r1j s ARG 747 CO 0.29 -0.12 0.00 1.33 -2.50 0.00 0.00 175.30 174.30 1r1j n VAL 748 N 3.83 0.00 1.50 7.11 0.24 -1.26 -4.75 118.33 124.99 1r1j n VAL 748 Ca -0.21 0.07 0.14 0.00 -2.04 0.00 0.00 64.34 62.30 1r1j n VAL 748 Cb 0.55 -0.97 0.52 0.00 -1.47 0.00 0.00 33.84 32.47 1r1j n VAL 748 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48