#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9y h ALA 51 N 0.00 0.41 -0.41 -1.46 0.00 -1.98 -2.87 119.26 112.94 3i9y h ALA 51 Ca 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.21 3i9y h ALA 51 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3i9y h ALA 51 CO 0.00 0.74 -0.00 1.98 0.00 0.00 0.00 179.25 181.97 3i9y h MET 52 N 0.37 0.66 -0.11 0.00 4.05 -1.99 -0.94 114.93 116.98 3i9y h MET 52 Ca -0.06 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 59.20 3i9y h MET 52 Cb 1.43 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 32.14 3i9y h MET 52 CO 0.15 0.68 0.04 0.82 0.23 0.00 0.00 176.91 178.84 3i9y h ILE 53 N 0.63 1.14 -0.70 1.77 2.04 -1.99 -2.32 117.51 118.08 3i9y h ILE 53 Ca 0.13 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 3i9y h ILE 53 Cb 0.40 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 3i9y h ILE 53 CO 0.02 0.13 0.36 -0.33 0.00 0.00 0.00 178.15 178.32 3i9y h GLU 54 N 0.02 0.99 -0.34 2.37 4.39 -1.39 -3.08 114.58 117.55 3i9y h GLU 54 Ca 0.04 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 3i9y h GLU 54 Cb 0.16 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 3i9y h GLU 54 CO -0.00 0.76 -0.11 0.00 -1.16 0.00 0.00 179.01 178.50 3i9y h ALA 55 N 1.17 1.17 -0.20 3.43 0.00 -0.95 -1.44 119.26 122.45 3i9y h ALA 55 Ca 0.24 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3i9y h ALA 55 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3i9y h ALA 55 CO -0.03 0.53 -0.06 0.00 0.00 0.00 0.00 179.25 179.68 3i9y h ARG 56 N 0.53 0.39 -0.60 0.00 3.08 -1.42 0.25 114.38 116.61 3i9y h ARG 56 Ca 0.10 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3i9y h ARG 56 Cb 0.52 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 3i9y h ARG 56 CO 0.03 0.66 0.37 1.96 -1.07 0.00 0.00 179.97 181.92 3i9y h GLN 57 N 0.10 0.80 -0.55 0.04 4.20 -1.41 -1.30 115.11 117.00 3i9y h GLN 57 Ca 0.05 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.71 3i9y h GLN 57 Cb 0.52 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 3i9y h GLN 57 CO 0.02 0.56 0.35 0.28 -0.67 0.00 0.00 178.83 179.37 3i9y h VAL 58 N 0.81 1.09 -0.59 -0.54 2.07 -1.09 0.49 116.25 118.49 3i9y h VAL 58 Ca 0.22 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 3i9y h VAL 58 Cb -0.05 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 3i9y h VAL 58 CO -0.04 0.13 -0.01 -1.28 0.02 0.00 0.00 177.57 176.39 3i9y h SER 59 N 0.70 1.01 0.48 0.57 0.87 -0.70 -0.45 113.55 116.02 3i9y h SER 59 Ca 0.21 -0.28 -0.21 0.00 -1.23 0.00 0.00 61.79 60.28 3i9y h SER 59 Cb -0.02 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 3i9y h SER 59 CO -0.07 1.06 -0.89 -0.08 -0.53 0.00 0.00 176.83 176.32 3i9y h GLU 60 N 0.94 0.28 -0.16 2.24 4.22 -0.98 -2.45 114.58 118.67 3i9y h GLU 60 Ca 0.17 -0.30 -0.09 0.00 0.08 0.00 0.00 59.36 59.22 3i9y h GLU 60 Cb 0.55 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3i9y h GLU 60 CO 0.03 1.00 -0.30 -0.07 -2.18 0.00 0.00 179.01 177.49 3i9y h LEU 61 N 0.16 0.30 0.37 1.64 3.38 -0.76 -1.22 115.31 119.18 3i9y h LEU 61 Ca -0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3i9y h LEU 61 Cb 1.51 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 3i9y h LEU 61 CO 0.14 0.60 -0.23 0.28 0.09 0.00 0.00 178.44 179.33 3i9y h SER 62 N 0.27 -0.57 -0.11 -0.43 0.02 -0.96 0.83 113.55 112.60 3i9y h SER 62 Ca 0.04 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 3i9y h SER 62 Cb 0.67 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 3i9y h SER 62 CO 0.05 -0.36 -0.05 0.00 -1.14 0.00 0.00 176.83 175.32 3i9y h THR 63 N -0.57 1.18 -0.64 -2.27 1.03 -1.20 0.46 112.91 110.90 3i9y h THR 63 Ca -0.04 -0.74 -0.07 0.00 -0.01 0.00 0.00 66.41 65.55 3i9y h THR 63 Cb 0.47 1.05 -0.03 0.00 -1.07 0.00 0.00 68.15 68.58 3i9y h THR 63 CO 0.04 0.24 0.11 0.03 -0.01 0.00 0.00 175.52 175.93 3i9y h ARG 64 N 0.36 1.03 -0.53 0.00 3.08 -0.64 -2.53 114.38 115.16 3i9y h ARG 64 Ca 0.08 -0.26 -0.11 0.00 0.07 0.00 0.00 59.98 59.76 3i9y h ARG 64 Cb 0.33 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3i9y h ARG 64 CO 0.01 0.95 -0.10 0.82 -1.07 0.00 0.00 179.97 180.58 3i9y h ILE 65 N 0.97 1.27 -0.74 2.04 2.04 -0.20 0.18 117.51 123.07 3i9y h ILE 65 Ca 0.20 -1.25 0.06 0.00 1.00 0.00 0.00 64.86 64.87 3i9y h ILE 65 Cb 0.41 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 3i9y h ILE 65 CO 0.01 0.44 0.44 0.40 0.00 0.00 0.00 178.15 179.44 3i9y h ILE 66 N 0.87 1.02 -0.25 -0.67 2.04 -0.71 0.85 117.51 120.65 3i9y h ILE 66 Ca 0.14 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 3i9y h ILE 66 Cb 0.66 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3i9y h ILE 66 CO 0.05 0.15 0.06 0.28 0.00 0.00 0.00 178.15 178.68 3i9y h SER 67 N 0.82 0.38 -0.44 1.72 0.02 -1.00 -2.78 113.55 112.28 3i9y h SER 67 Ca 0.32 -0.24 0.10 0.00 -0.84 0.00 0.00 61.79 61.14 3i9y h SER 67 Cb 0.15 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3i9y h SER 67 CO -0.17 0.52 0.30 0.28 -1.14 0.00 0.00 176.83 176.63 3i9y h SER 68 N 0.23 0.11 -0.52 3.07 0.02 -0.15 0.17 113.55 116.48 3i9y h SER 68 Ca 0.08 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 3i9y h SER 68 Cb 0.29 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3i9y h SER 68 CO 0.00 0.07 -0.09 0.58 -1.14 0.00 0.00 176.83 176.24 3i9y h VAL 69 N 0.12 1.27 -0.23 2.27 2.07 -0.60 -0.38 116.25 120.76 3i9y h VAL 69 Ca 0.20 -1.24 -0.12 0.00 0.82 0.00 0.00 66.70 66.36 3i9y h VAL 69 Cb 0.65 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3i9y h VAL 69 CO -0.02 0.44 -0.37 1.56 0.02 0.00 0.00 177.57 179.19 3i9y h GLN 70 N 0.90 0.52 -0.48 1.57 4.20 -0.91 0.19 115.11 121.10 3i9y h GLN 70 Ca 0.14 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3i9y h GLN 70 Cb 0.65 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 3i9y h GLN 70 CO 0.05 0.82 0.31 0.52 -0.67 0.00 0.00 178.83 179.86 3i9y h MET 71 N 0.44 0.64 -0.22 1.46 2.86 -0.66 -2.00 114.93 117.45 3i9y h MET 71 Ca 0.04 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3i9y h MET 71 Cb 0.85 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 3i9y h MET 71 CO 0.07 0.43 0.09 1.25 1.06 0.00 0.00 176.91 179.81 3i9y h LEU 72 N 0.65 0.30 0.00 1.22 5.85 -0.76 -2.15 115.31 120.42 3i9y h LEU 72 Ca 0.18 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3i9y h LEU 72 Cb -0.06 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.89 3i9y h LEU 72 CO -0.04 0.38 0.00 -1.54 -0.34 0.00 0.00 178.44 176.91 3i9y n SER 73 N -4.81 0.00 -1.12 1.25 3.41 0.65 -2.26 113.62 110.74 3i9y n SER 73 Ca -0.03 0.26 0.10 0.00 -0.26 0.00 0.00 58.87 58.94 3i9y n SER 73 Cb 0.12 -0.39 0.24 0.00 -0.26 0.00 0.00 64.21 63.92 3i9y n SER 73 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i9y n ASN 74 N -1.39 3.52 -4.76 4.04 3.02 -0.79 -4.97 115.26 113.93 3i9y n ASN 74 Ca 0.07 -1.97 -0.41 0.00 -0.03 0.00 0.00 54.58 52.24 3i9y n ASN 74 Cb 0.19 -0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 3i9y n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i9y s ALA 75 N -1.15 3.54 -1.09 5.41 0.00 -0.87 -4.94 121.76 122.66 3i9y s ALA 75 Ca 0.39 1.30 0.16 0.00 0.00 0.00 0.00 51.96 53.82 3i9y s ALA 75 Cb 0.21 -3.51 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 3i9y s ALA 75 CO 0.29 -0.70 0.77 1.04 0.00 0.00 0.00 175.76 177.15 3i9y n GLN 76 N 1.21 1.66 -3.85 0.00 6.02 -1.26 -4.92 117.38 116.23 3i9y n GLN 76 Ca 0.02 -0.35 -0.09 0.00 -0.01 0.00 0.00 57.00 56.57 3i9y n GLN 76 Cb 0.41 -1.28 0.01 0.00 1.02 0.00 0.00 30.24 30.40 3i9y n GLN 76 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3i9y s ASN 77 N -2.29 0.05 0.24 1.08 2.20 -1.26 -5.03 114.94 109.93 3i9y s ASN 77 Ca 0.09 -1.08 -0.07 0.00 -0.94 0.00 0.00 52.86 50.87 3i9y s ASN 77 Cb 0.13 0.80 0.23 0.00 -2.00 0.00 0.00 41.25 40.41 3i9y s ASN 77 CO 0.56 -1.57 1.92 -0.33 -2.94 0.00 0.00 177.10 174.74 3i9y h GLU 78 N 2.02 1.25 -0.52 3.55 4.39 -1.98 0.47 114.58 123.76 3i9y h GLU 78 Ca -0.29 -0.08 -0.08 0.00 0.34 0.00 0.00 59.36 59.25 3i9y h GLU 78 Cb 1.25 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 29.60 3i9y h GLU 78 CO 0.37 0.83 0.02 0.37 -1.16 0.00 0.00 179.01 179.44 3i9y h GLN 79 N 1.29 0.91 -0.14 2.33 4.15 -1.99 0.37 115.11 122.02 3i9y h GLN 79 Ca 0.35 -0.28 -0.11 0.00 0.77 0.00 0.00 58.65 59.38 3i9y h GLN 79 Cb -0.14 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.45 3i9y h GLN 79 CO -0.07 0.92 -0.39 0.93 -1.93 0.00 0.00 178.83 178.28 3i9y h GLU 80 N 0.78 0.31 -0.08 1.69 5.08 -1.88 -1.57 114.58 118.92 3i9y h GLU 80 Ca 0.15 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3i9y h GLU 80 Cb 0.50 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3i9y h GLU 80 CO 0.02 0.66 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.55 3i9y h ARG 81 N 0.26 0.18 -0.54 2.33 2.43 -0.25 0.24 114.38 119.04 3i9y h ARG 81 Ca 0.03 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 3i9y h ARG 81 Cb 0.81 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 3i9y h ARG 81 CO 0.06 0.57 0.04 0.87 -1.51 0.00 0.00 179.97 180.01 3i9y h LYS 82 N -0.20 0.89 -0.14 0.20 1.57 -0.90 -0.31 116.57 117.67 3i9y h LYS 82 Ca 0.02 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 3i9y h LYS 82 Cb 0.53 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 3i9y h LYS 82 CO 0.01 0.85 -0.07 1.49 -0.57 0.00 0.00 179.45 181.17 3i9y h GLU 83 N 0.83 0.30 0.00 3.15 4.57 -1.09 -1.07 114.58 121.26 3i9y h GLU 83 Ca 0.16 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 3i9y h GLU 83 Cb 0.43 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3i9y h GLU 83 CO 0.02 0.63 -0.10 0.00 -1.18 0.00 0.00 179.01 178.38 3i9y h ALA 84 N 0.67 1.72 0.01 2.92 0.00 -0.27 -1.16 119.26 123.13 3i9y h ALA 84 Ca 0.03 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 3i9y h ALA 84 Cb 0.54 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3i9y h ALA 84 CO 0.02 0.12 -0.87 0.78 0.00 0.00 0.00 179.25 179.30 3i9y h GLY 85 N 0.35 0.13 0.70 0.00 0.00 -0.77 -1.68 103.07 101.80 3i9y h GLY 85 Ca -0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 3i9y h GLY 85 CO 0.01 0.21 -0.20 -0.09 0.00 0.00 0.00 176.54 176.47 3i9y h ARG 86 N 0.06 0.33 -0.52 4.80 2.43 -0.68 -2.21 114.38 118.59 3i9y h ARG 86 Ca -0.03 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 58.89 3i9y h ARG 86 Cb 1.52 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 31.06 3i9y h ARG 86 CO 0.13 0.79 0.15 -0.39 -1.51 0.00 0.00 179.97 179.13 3i9y h VAL 87 N -0.10 1.21 -0.41 0.20 -1.51 -0.80 -1.82 116.25 113.02 3i9y h VAL 87 Ca 0.01 -0.75 -0.11 0.00 -1.23 0.00 0.00 66.70 64.61 3i9y h VAL 87 Cb 0.77 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 30.58 3i9y h VAL 87 CO 0.04 0.28 -0.20 0.25 -1.23 0.00 0.00 177.57 176.72 3i9y h LEU 88 N 0.77 0.81 -0.59 4.19 5.85 -1.29 -2.06 115.31 122.99 3i9y h LEU 88 Ca 0.17 -0.28 -0.14 0.00 0.84 0.00 0.00 57.88 58.47 3i9y h LEU 88 Cb 0.25 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3i9y h LEU 88 CO -0.01 1.00 -0.36 0.15 -0.34 0.00 0.00 178.44 178.88 3i9y h PHE 89 N 0.71 0.86 -0.66 1.25 3.57 -1.19 -0.16 116.94 121.31 3i9y h PHE 89 Ca 0.10 -0.24 -0.07 0.00 3.53 0.00 0.00 57.97 61.29 3i9y h PHE 89 Cb 0.71 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 3i9y h PHE 89 CO 0.04 0.98 0.13 0.93 -2.23 0.00 0.00 178.31 178.16 3i9y h GLU 90 N 0.61 1.08 -0.26 1.11 5.08 -0.79 -1.98 114.58 119.42 3i9y h GLU 90 Ca 0.06 -0.28 -0.14 0.00 -1.00 0.00 0.00 59.36 58.00 3i9y h GLU 90 Cb 0.89 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3i9y h GLU 90 CO 0.08 0.98 -0.42 1.96 -1.00 0.00 0.00 179.01 180.61 3i9y h GLN 91 N 1.00 0.65 -0.51 2.33 4.20 -1.19 -1.67 115.11 119.93 3i9y h GLN 91 Ca 0.20 -0.34 -0.12 0.00 0.06 0.00 0.00 58.65 58.45 3i9y h GLN 91 Cb 0.41 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3i9y h GLN 91 CO 0.01 0.95 -0.14 1.25 -0.67 0.00 0.00 178.83 180.22 3i9y h LEU 92 N 0.53 1.00 -0.66 1.46 5.85 -0.81 0.30 115.31 122.98 3i9y h LEU 92 Ca 0.04 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.40 3i9y h LEU 92 Cb 0.95 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 3i9y h LEU 92 CO 0.09 1.14 0.43 -0.08 -0.34 0.00 0.00 178.44 179.68 3i9y h GLU 93 N 0.85 0.86 -0.41 1.25 4.81 -1.18 0.17 114.58 120.93 3i9y h GLU 93 Ca 0.13 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.21 3i9y h GLU 93 Cb 0.71 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3i9y h GLU 93 CO 0.05 0.57 -0.13 0.77 -0.73 0.00 0.00 179.01 179.55 3i9y h SER 94 N 0.88 0.82 -0.66 1.04 0.02 -1.18 -1.57 113.55 112.90 3i9y h SER 94 Ca 0.24 -0.37 0.05 0.00 -0.84 0.00 0.00 61.79 60.87 3i9y h SER 94 Cb -0.10 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.18 3i9y h SER 94 CO -0.05 1.01 0.44 0.25 -1.14 0.00 0.00 176.83 177.33 3i9y h LEU 95 N 0.63 0.62 -0.27 5.07 6.46 0.08 -2.67 115.31 125.23 3i9y h LEU 95 Ca 0.10 -0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.65 3i9y h LEU 95 Cb 0.66 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 3i9y h LEU 95 CO 0.05 0.41 -0.77 -0.07 -0.62 0.00 0.00 178.44 177.43 3i9y h LEU 96 N 0.71 0.70 -1.42 2.25 3.38 -0.34 -1.09 115.31 119.50 3i9y h LEU 96 Ca 0.28 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3i9y h LEU 96 Cb 0.21 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3i9y h LEU 96 CO -0.09 1.24 -0.29 0.71 0.09 0.00 0.00 178.44 180.10 3i9y h THR 97 N 0.39 1.10 0.00 0.22 1.35 -1.00 -1.23 112.91 113.74 3i9y h THR 97 Ca -0.05 -1.04 -0.19 0.00 -0.55 0.00 0.00 66.41 64.58 3i9y h THR 97 Cb 1.38 1.58 -0.03 0.00 -1.73 0.00 0.00 68.15 69.35 3i9y h THR 97 CO 0.15 0.29 -0.92 0.45 -0.25 0.00 0.00 175.52 175.24 3i9y h HIS 98 N 0.00 0.02 -0.53 4.73 3.86 -1.12 -2.10 115.15 120.01 3i9y h HIS 98 Ca -0.00 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.08 3i9y h HIS 98 Cb 0.55 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 3i9y h HIS 98 CO 0.00 0.92 -0.10 0.82 0.86 0.00 0.00 177.93 180.43 3i9y h ILE 99 N 0.01 1.27 -0.26 2.45 1.08 -0.85 -1.49 117.51 119.72 3i9y h ILE 99 Ca -0.01 -1.25 -0.01 0.00 -0.39 0.00 0.00 64.86 63.20 3i9y h ILE 99 Cb 1.61 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 36.33 3i9y h ILE 99 CO 0.12 0.44 0.13 0.50 -0.69 0.00 0.00 178.15 178.65 3i9y h LYS 100 N 0.88 0.38 -0.44 2.37 3.64 -1.16 -1.50 116.57 120.74 3i9y h LYS 100 Ca 0.14 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.54 3i9y h LYS 100 Cb 0.66 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 3i9y h LYS 100 CO 0.05 0.37 0.02 0.93 -2.27 0.00 0.00 179.45 178.55 3i9y h GLU 101 N 0.29 0.13 -0.70 1.90 4.39 -1.15 -1.85 114.58 117.59 3i9y h GLU 101 Ca 0.09 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.85 3i9y h GLU 101 Cb 0.12 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.68 3i9y h GLU 101 CO -0.01 0.09 0.39 1.25 -1.16 0.00 0.00 179.01 179.56 3i9y h LEU 102 N 0.13 0.56 0.00 1.33 5.85 -1.04 -2.74 115.31 119.41 3i9y h LEU 102 Ca 0.22 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3i9y h LEU 102 Cb 0.31 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3i9y h LEU 102 CO -0.35 0.36 -0.43 1.23 -0.34 0.00 0.00 178.44 178.91 3i9y h GLY 103 N 0.70 0.00 1.72 3.75 0.00 -1.09 -3.25 103.07 104.91 3i9y h GLY 103 Ca 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 3i9y h GLY 103 CO -0.20 0.00 0.06 -1.33 0.00 0.00 0.00 176.54 175.07 3i9y h GLY 104 N 4.29 0.39 -3.43 4.60 0.00 -1.02 -0.99 103.07 106.91 3i9y h GLY 104 Ca 0.00 -0.18 -0.38 0.00 0.00 0.00 0.00 47.33 46.77 3i9y h GLY 104 CO 0.00 0.17 0.48 1.18 0.00 0.00 0.00 176.54 178.38 3i9y n GLU 105 N -4.39 1.92 -4.23 4.80 -0.58 -1.22 -4.95 120.64 111.97 3i9y n GLU 105 Ca 0.01 -2.08 -0.19 0.00 -0.42 0.00 0.00 57.16 54.48 3i9y n GLU 105 Cb 0.16 -1.82 -0.12 0.00 -0.57 0.00 0.00 31.44 29.10 3i9y n GLU 105 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3i9y s SER 106 N -0.56 2.02 -0.08 1.62 0.15 -0.38 -5.03 113.70 111.44 3i9y s SER 106 Ca 0.40 -0.74 0.01 0.00 0.70 0.00 0.00 55.95 56.31 3i9y s SER 106 Cb 0.33 -0.08 -0.06 0.00 -1.71 0.00 0.00 66.02 64.50 3i9y s SER 106 CO 0.06 -0.09 -0.07 0.33 1.20 0.00 0.00 173.24 174.66 3i9y n PHE 107 N 0.80 0.00 -1.67 3.44 7.35 -1.26 -4.95 117.46 121.16 3i9y n PHE 107 Ca -0.17 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.18 3i9y n PHE 107 Cb 0.56 -0.33 -0.04 0.00 0.35 0.00 0.00 39.48 40.02 3i9y n PHE 107 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3i9y s ASP 108 N -4.76 4.54 0.36 -2.13 -1.08 -1.26 -4.81 116.67 107.53 3i9y s ASP 108 Ca -0.11 0.74 0.27 0.00 -0.52 0.00 0.00 52.55 52.93 3i9y s ASP 108 Cb 0.03 -2.51 1.23 0.00 -1.46 0.00 0.00 42.92 40.21 3i9y s ASP 108 CO 0.20 -2.92 1.80 0.77 0.52 0.00 0.00 175.17 175.55 3i9y h SER 109 N 17.55 0.00 0.17 -0.34 4.64 -1.98 -0.37 113.55 133.23 3i9y h SER 109 Ca -0.20 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.81 3i9y h SER 109 Cb 1.20 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.32 3i9y h SER 109 CO 1.15 0.00 -1.29 0.50 -0.87 0.00 0.00 176.83 176.32 3i9y h LYS 110 N 0.00 0.60 -0.27 4.77 3.64 -2.00 -0.82 116.57 122.49 3i9y h LYS 110 Ca 0.00 -0.84 -0.05 0.00 -1.27 0.00 0.00 60.65 58.49 3i9y h LYS 110 Cb 0.26 0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3i9y h LYS 110 CO 0.00 1.39 -0.03 -0.07 -2.27 0.00 0.00 179.45 178.47 3i9y h LEU 111 N 0.25 0.49 -1.92 5.20 3.38 -1.72 -2.18 115.31 118.81 3i9y h LEU 111 Ca -0.20 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 3i9y h LEU 111 Cb 1.97 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.58 3i9y h LEU 111 CO 0.25 0.71 -0.05 -0.07 0.09 0.00 0.00 178.44 179.36 3i9y h LEU 112 N 0.26 0.00 -0.18 1.67 3.38 -1.09 0.11 115.31 119.46 3i9y h LEU 112 Ca 0.07 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 3i9y h LEU 112 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3i9y h LEU 112 CO 0.02 0.05 -0.51 0.44 0.09 0.00 0.00 178.44 178.53 3i9y h ASP 113 N 0.00 0.75 -0.50 -0.43 3.32 -0.68 -2.66 116.42 116.22 3i9y h ASP 113 Ca -0.00 -0.59 -0.01 0.00 0.02 0.00 0.00 57.03 56.45 3i9y h ASP 113 Cb 0.09 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3i9y h ASP 113 CO 0.01 1.20 0.26 0.00 -1.72 0.00 0.00 179.24 178.99 3i9y h ALA 114 N 0.56 0.64 -0.87 3.45 0.00 -0.97 -1.62 119.26 120.45 3i9y h ALA 114 Ca -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3i9y h ALA 114 Cb 1.13 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3i9y h ALA 114 CO 0.11 0.18 0.54 1.25 0.00 0.00 0.00 179.25 181.33 3i9y h LEU 115 N 0.66 1.04 -0.48 0.00 5.85 -1.01 0.12 115.31 121.49 3i9y h LEU 115 Ca 0.17 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 3i9y h LEU 115 Cb 0.08 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3i9y h LEU 115 CO -0.03 0.79 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.75 3i9y h GLU 116 N 1.20 0.87 -0.03 1.25 4.57 -1.27 -0.16 114.58 121.01 3i9y h GLU 116 Ca 0.31 -0.29 -0.18 0.00 -1.18 0.00 0.00 59.36 58.02 3i9y h GLU 116 Cb -0.07 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 3i9y h GLU 116 CO -0.06 0.92 -0.78 1.03 -1.18 0.00 0.00 179.01 178.94 3i9y h SER 117 N 0.72 0.31 -0.82 1.04 0.87 -0.85 -1.84 113.55 112.98 3i9y h SER 117 Ca 0.13 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3i9y h SER 117 Cb 0.55 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 3i9y h SER 117 CO 0.03 0.97 0.52 0.78 -0.53 0.00 0.00 176.83 178.60 3i9y h ASN 118 N 0.16 0.97 -0.31 6.23 2.35 -0.27 -0.73 115.58 123.98 3i9y h ASN 118 Ca -0.03 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.57 3i9y h ASN 118 Cb 1.36 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 3i9y h ASN 118 CO 0.12 0.73 -0.22 0.58 -1.65 0.00 0.00 177.43 176.99 3i9y h VAL 119 N 1.13 1.29 -0.83 2.81 2.07 -0.75 -2.45 116.25 119.53 3i9y h VAL 119 Ca 0.30 -1.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 3i9y h VAL 119 Cb -0.08 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3i9y h VAL 119 CO -0.06 0.44 0.36 1.56 0.02 0.00 0.00 177.57 179.90 3i9y h GLN 120 N 0.47 1.22 -0.71 1.57 4.20 -1.05 -0.45 115.11 120.35 3i9y h GLN 120 Ca 0.06 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 3i9y h GLN 120 Cb 0.78 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 3i9y h GLN 120 CO 0.06 0.96 0.22 -0.91 -0.67 0.00 0.00 178.83 178.49 3i9y h ASN 121 N 1.19 1.04 -0.13 1.46 2.35 -1.01 -0.12 115.58 120.36 3i9y h ASN 121 Ca 0.28 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3i9y h ASN 121 Cb 0.17 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3i9y h ASN 121 CO -0.03 0.97 0.02 0.58 -1.65 0.00 0.00 177.43 177.32 3i9y h VAL 122 N 1.05 1.23 -0.32 2.81 2.07 -1.16 -1.58 116.25 120.35 3i9y h VAL 122 Ca 0.23 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 3i9y h VAL 122 Cb 0.30 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3i9y h VAL 122 CO -0.01 0.21 0.20 0.40 0.02 0.00 0.00 177.57 178.39 3i9y h ILE 123 N -0.01 1.10 -0.36 4.57 2.04 -0.81 -1.01 117.51 123.03 3i9y h ILE 123 Ca 0.04 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 3i9y h ILE 123 Cb 0.31 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3i9y h ILE 123 CO 0.00 0.10 0.01 0.78 0.00 0.00 0.00 178.15 179.05 3i9y h ASN 124 N 0.41 0.52 -0.29 1.72 2.35 -0.97 -1.64 115.58 117.69 3i9y h ASN 124 Ca 0.11 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 3i9y h ASN 124 Cb -0.00 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 3i9y h ASN 124 CO -0.02 0.58 -0.17 -1.13 -1.65 0.00 0.00 177.43 175.04 3i9y h ASN 125 N 0.54 0.66 0.14 5.81 -0.73 -0.86 -1.18 115.58 119.94 3i9y h ASN 125 Ca 0.12 -0.42 -0.12 0.00 1.87 0.00 0.00 56.30 57.75 3i9y h ASN 125 Cb 0.32 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.72 3i9y h ASN 125 CO 0.01 0.93 -0.42 -0.07 -0.37 0.00 0.00 177.43 177.52 3i9y h LEU 126 N 0.38 0.38 -0.18 0.34 3.38 -1.00 -1.83 115.31 116.78 3i9y h LEU 126 Ca 0.06 -0.16 -0.23 0.00 0.09 0.00 0.00 57.88 57.64 3i9y h LEU 126 Cb 0.70 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.35 3i9y h LEU 126 CO 0.05 0.76 -0.90 0.00 0.09 0.00 0.00 178.44 178.43 3i9y h ALA 127 N 1.26 0.35 -0.47 1.53 0.00 -1.17 -1.10 119.26 119.66 3i9y h ALA 127 Ca 0.03 -0.67 -0.12 0.00 0.00 0.00 0.00 54.91 54.15 3i9y h ALA 127 Cb 0.86 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3i9y h ALA 127 CO 0.07 0.76 -0.16 1.49 0.00 0.00 0.00 179.25 181.40 3i9y h GLU 128 N 0.33 0.92 -0.64 0.00 4.81 -0.92 -2.50 114.58 116.57 3i9y h GLU 128 Ca -0.08 -0.35 -0.08 0.00 -0.13 0.00 0.00 59.36 58.72 3i9y h GLU 128 Cb 1.53 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.83 3i9y h GLU 128 CO 0.17 1.01 0.10 1.25 -0.73 0.00 0.00 179.01 180.80 3i9y h LEU 129 N 0.81 1.02 -0.90 1.64 5.85 -1.24 -1.51 115.31 120.98 3i9y h LEU 129 Ca 0.12 -0.26 0.09 0.00 0.84 0.00 0.00 57.88 58.67 3i9y h LEU 129 Cb 0.71 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 3i9y h LEU 129 CO 0.05 1.03 0.55 1.23 -0.34 0.00 0.00 178.44 180.96 3i9y h GLY 130 N 0.98 1.41 0.88 3.75 0.00 -0.74 -1.49 103.07 107.86 3i9y h GLY 130 Ca 0.19 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 3i9y h GLY 130 CO 0.01 0.19 -0.09 -2.08 0.00 0.00 0.00 176.54 174.57 3i9y h VAL 131 N 0.93 1.29 -0.52 4.60 2.07 -1.30 -2.24 116.25 121.07 3i9y h VAL 131 Ca 0.42 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.85 3i9y h VAL 131 Cb 0.33 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3i9y h VAL 131 CO -0.23 0.36 0.27 0.74 0.02 0.00 0.00 177.57 178.73 3i9y h THR 132 N 0.32 0.97 -0.25 2.57 2.02 -1.06 0.13 112.91 117.60 3i9y h THR 132 Ca 0.07 -0.18 -0.18 0.00 0.77 0.00 0.00 66.41 66.89 3i9y h THR 132 Cb 0.58 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3i9y h THR 132 CO 0.03 0.10 -0.55 0.58 0.37 0.00 0.00 175.52 176.05 3i9y h VAL 133 N 0.52 1.29 -0.35 3.16 2.07 -1.24 -0.79 116.25 120.91 3i9y h VAL 133 Ca 0.23 -1.75 -0.14 0.00 0.82 0.00 0.00 66.70 65.86 3i9y h VAL 133 Cb 0.13 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3i9y h VAL 133 CO -0.15 0.56 -0.34 -0.08 0.02 0.00 0.00 177.57 177.58 3i9y h GLU 134 N 0.58 0.79 -0.13 1.57 4.81 -1.16 -2.46 114.58 118.59 3i9y h GLU 134 Ca 0.01 -0.38 -0.06 0.00 -0.13 0.00 0.00 59.36 58.80 3i9y h GLU 134 Cb 1.13 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 3i9y h GLU 134 CO 0.12 1.01 -0.21 -0.09 -0.73 0.00 0.00 179.01 179.10 3i9y h ARG 135 N 0.66 0.21 -0.77 1.92 2.43 -0.81 -2.63 114.38 115.39 3i9y h ARG 135 Ca 0.07 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3i9y h ARG 135 Cb 0.88 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 3i9y h ARG 135 CO 0.08 0.43 0.32 -0.22 -1.51 0.00 0.00 179.97 179.06 3i9y h LYS 136 N 0.20 1.15 -0.01 0.20 3.64 -0.69 0.61 116.57 121.67 3i9y h LYS 136 Ca 0.03 -0.20 -0.25 0.00 -1.27 0.00 0.00 60.65 58.97 3i9y h LYS 136 Cb 0.50 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3i9y h LYS 136 CO 0.03 0.92 -0.99 -0.07 -2.27 0.00 0.00 179.45 177.07 3i9y h LEU 137 N 1.12 0.79 -0.17 5.20 3.38 -1.16 -2.23 115.31 122.25 3i9y h LEU 137 Ca 0.26 -0.62 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 3i9y h LEU 137 Cb 0.20 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3i9y h LEU 137 CO -0.02 1.42 -0.02 -0.50 0.09 0.00 0.00 178.44 179.41 3i9y h TRP 138 N 0.35 0.34 -0.86 1.13 -0.00 -1.13 -2.51 115.95 113.28 3i9y h TRP 138 Ca -0.11 -0.06 0.09 0.00 -0.00 0.00 0.00 58.89 58.81 3i9y h TRP 138 Cb 1.64 -0.09 -0.06 0.00 -0.00 0.00 0.00 29.16 30.65 3i9y h TRP 138 CO 0.09 0.54 0.56 -0.07 -0.00 0.00 0.00 178.44 179.56 3i9y h LEU 139 N 0.04 0.76 -0.58 -4.49 3.38 -0.87 -0.83 115.31 112.72 3i9y h LEU 139 Ca 0.05 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 3i9y h LEU 139 Cb 0.42 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3i9y h LEU 139 CO 0.01 0.45 -0.35 0.00 0.09 0.00 0.00 178.44 178.64 3i9y h ALA 140 N 1.57 0.76 -0.27 1.53 0.00 -1.23 -0.61 119.26 121.02 3i9y h ALA 140 Ca 0.40 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3i9y h ALA 140 Cb 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3i9y h ALA 140 CO -0.16 0.65 0.08 -0.22 0.00 0.00 0.00 179.25 179.61 3i9y h LYS 141 N 0.63 0.42 -0.09 0.00 1.63 -1.17 0.37 116.57 118.35 3i9y h LYS 141 Ca 0.06 -0.09 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 3i9y h LYS 141 Cb 0.89 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.45 3i9y h LYS 141 CO 0.08 0.48 0.03 0.93 -3.45 0.00 0.00 179.45 177.52 3i9y h GLU 142 N 0.27 0.07 -0.14 1.90 4.39 -0.65 -1.70 114.58 118.72 3i9y h GLU 142 Ca 0.09 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 3i9y h GLU 142 Cb 0.24 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3i9y h GLU 142 CO -0.00 0.04 0.08 0.82 -1.16 0.00 0.00 179.01 178.79 3i9y h ILE 143 N 0.07 1.07 -0.49 3.13 2.04 -0.94 -2.19 117.51 120.20 3i9y h ILE 143 Ca 0.04 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 3i9y h ILE 143 Cb 0.02 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3i9y h ILE 143 CO -0.04 0.07 0.06 0.44 0.00 0.00 0.00 178.15 178.67 3i9y h ASP 144 N 0.15 0.74 -0.44 1.72 3.32 -0.81 -1.36 116.42 119.74 3i9y h ASP 144 Ca 0.05 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 3i9y h ASP 144 Cb 0.03 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3i9y h ASP 144 CO -0.01 0.78 0.21 0.74 -1.72 0.00 0.00 179.24 179.23 3i9y h THR 145 N 0.75 1.19 -0.35 0.35 2.02 -1.32 -1.45 112.91 114.10 3i9y h THR 145 Ca 0.16 -0.54 -0.10 0.00 0.77 0.00 0.00 66.41 66.70 3i9y h THR 145 Cb 0.37 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3i9y h THR 145 CO 0.01 0.21 -0.18 0.03 0.37 0.00 0.00 175.52 175.95 3i9y h ARG 146 N 0.57 0.65 -0.53 6.66 3.08 -1.03 -1.57 114.38 122.22 3i9y h ARG 146 Ca 0.15 -0.23 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 3i9y h ARG 146 Cb 0.13 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3i9y h ARG 146 CO -0.02 0.80 -0.14 0.28 -1.07 0.00 0.00 179.97 179.81 3i9y h VAL 147 N 0.58 1.27 -0.50 2.04 2.07 -1.02 -0.62 116.25 120.07 3i9y h VAL 147 Ca 0.09 -1.31 -0.13 0.00 0.82 0.00 0.00 66.70 66.18 3i9y h VAL 147 Cb 0.64 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3i9y h VAL 147 CO 0.04 0.46 -0.20 -0.08 0.02 0.00 0.00 177.57 177.82 3i9y h GLU 148 N 0.90 1.01 -0.76 1.57 4.57 -1.01 0.51 114.58 121.38 3i9y h GLU 148 Ca 0.13 -0.42 -0.03 0.00 -1.18 0.00 0.00 59.36 57.86 3i9y h GLU 148 Cb 0.72 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.23 3i9y h GLU 148 CO 0.06 1.10 0.36 0.93 -1.18 0.00 0.00 179.01 180.27 3i9y h GLU 149 N 0.87 1.09 -0.46 1.92 5.08 -1.02 -1.57 114.58 120.50 3i9y h GLU 149 Ca 0.12 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 3i9y h GLU 149 Cb 0.77 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3i9y h GLU 149 CO 0.06 0.84 -0.16 0.52 -1.00 0.00 0.00 179.01 179.27 3i9y h MET 150 N 1.08 0.89 -0.32 2.33 2.86 0.13 -2.04 114.93 119.85 3i9y h MET 150 Ca 0.26 -0.34 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 3i9y h MET 150 Cb 0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3i9y h MET 150 CO -0.03 0.98 0.04 -0.09 1.06 0.00 0.00 176.91 178.86 3i9y h ARG 151 N 0.78 0.54 -0.53 1.72 2.43 0.46 -1.23 114.38 118.56 3i9y h ARG 151 Ca 0.12 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3i9y h ARG 151 Cb 0.69 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 3i9y h ARG 151 CO 0.05 0.64 0.25 -0.07 -1.51 0.00 0.00 179.97 179.33 3i9y h LEU 152 N 0.35 0.69 -0.59 3.80 3.38 -1.17 -1.92 115.31 119.86 3i9y h LEU 152 Ca 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3i9y h LEU 152 Cb 0.38 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3i9y h LEU 152 CO 0.01 0.63 0.32 -0.07 0.09 0.00 0.00 178.44 179.42 3i9y h LEU 153 N 0.71 0.75 -0.58 1.67 3.38 -1.36 -1.87 115.31 118.01 3i9y h LEU 153 Ca 0.18 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3i9y h LEU 153 Cb 0.12 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3i9y h LEU 153 CO -0.02 0.63 0.37 0.28 0.09 0.00 0.00 178.44 179.78 3i9y h SER 154 N 0.81 0.61 -0.29 -0.43 0.02 -0.95 -0.36 113.55 112.95 3i9y h SER 154 Ca 0.21 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 3i9y h SER 154 Cb 0.05 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3i9y h SER 154 CO -0.03 0.43 0.02 1.05 -1.14 0.00 0.00 176.83 177.15 3i9y h GLU 155 N 0.73 0.50 -0.83 3.45 4.11 -1.33 0.31 114.58 121.52 3i9y h GLU 155 Ca 0.23 -0.15 0.02 0.00 0.07 0.00 0.00 59.36 59.53 3i9y h GLU 155 Cb -0.02 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 3i9y h GLU 155 CO -0.08 0.63 0.54 1.49 0.07 0.00 0.00 179.01 181.67 3i9y h GLU 156 N 0.29 1.05 -0.60 1.06 4.81 -1.09 -0.74 114.58 119.37 3i9y h GLU 156 Ca 0.08 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3i9y h GLU 156 Cb 0.40 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3i9y h GLU 156 CO 0.01 0.69 0.36 1.25 -0.73 0.00 0.00 179.01 180.59 3i9y h LEU 157 N 1.08 0.72 -0.91 1.64 5.85 -0.85 -2.59 115.31 120.24 3i9y h LEU 157 Ca 0.32 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.88 3i9y h LEU 157 Cb -0.05 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3i9y h LEU 157 CO -0.09 0.56 -0.29 -0.08 -0.34 0.00 0.00 178.44 178.20 3i9y h GLU 158 N 0.81 0.45 -0.30 1.25 4.22 -0.53 -1.89 114.58 118.59 3i9y h GLU 158 Ca 0.21 -0.18 -0.03 0.00 0.08 0.00 0.00 59.36 59.44 3i9y h GLU 158 Cb -0.02 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3i9y h GLU 158 CO -0.04 0.70 0.05 1.96 -2.18 0.00 0.00 179.01 179.50 3i9y h GLN 159 N 0.39 0.43 0.00 1.92 1.08 -0.96 -1.50 115.11 116.48 3i9y h GLN 159 Ca 0.05 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3i9y h GLN 159 Cb 0.72 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.07 3i9y h GLN 159 CO 0.05 0.42 -0.07 -0.07 -0.95 0.00 0.00 178.83 178.22 3i9y h LEU 160 N 0.43 0.00 -0.26 1.46 3.38 -0.95 -1.71 115.31 117.66 3i9y h LEU 160 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3i9y h LEU 160 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3i9y h LEU 160 CO -0.00 0.07 -0.00 0.35 0.09 0.00 0.00 178.44 178.95 3i9y n THR 161 N -3.57 0.00 -3.07 0.22 -2.24 -0.56 -4.83 114.28 100.22 3i9y n THR 161 Ca -0.02 -0.07 -0.34 0.00 -2.27 0.00 0.00 64.05 61.35 3i9y n THR 161 Cb 0.19 -0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.12 3i9y n THR 161 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i9y s ARG 162 N -2.00 4.12 0.00 -0.78 0.52 -0.64 -4.83 118.95 115.34 3i9y s ARG 162 Ca 0.45 0.81 0.00 0.00 -0.52 0.00 0.00 55.73 56.47 3i9y s ARG 162 Cb 0.22 -2.54 0.00 0.00 0.52 0.00 0.00 34.95 33.14 3i9y s ARG 162 CO 0.36 0.21 0.00 -2.37 0.02 0.00 0.00 175.30 173.52 3i9y n THR 163 N -0.05 0.00 -0.10 0.02 5.66 -1.26 -5.08 114.28 113.47 3i9y n THR 163 Ca 0.02 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.82 3i9y n THR 163 Cb 0.52 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.20 3i9y n THR 163 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 3i9y h LEU 203 N 0.00 0.00 -0.79 1.09 6.46 -2.07 -3.54 115.31 116.46 3i9y h LEU 203 Ca 0.00 -0.49 0.00 0.00 -0.12 0.00 0.00 57.88 57.27 3i9y h LEU 203 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3i9y h LEU 203 CO 0.00 1.42 -0.12 0.47 -0.62 0.00 0.00 178.44 179.59 3i9y n ASP 204 N -4.45 1.34 0.08 1.25 9.92 -1.26 -2.93 116.55 120.49 3i9y n ASP 204 Ca -0.29 -1.25 -0.07 0.00 -0.53 0.00 0.00 54.79 52.65 3i9y n ASP 204 Cb 0.64 0.07 0.07 0.00 -0.64 0.00 0.00 41.12 41.26 3i9y n ASP 204 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3i9y h LEU 205 N 1.92 0.31 0.48 0.64 5.85 -2.00 -3.09 115.31 119.43 3i9y h LEU 205 Ca 0.00 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 3i9y h LEU 205 Cb 0.52 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3i9y h LEU 205 CO 0.00 0.90 -0.23 0.74 -0.34 0.00 0.00 178.44 179.51 3i9y h THR 206 N 0.18 0.48 0.00 1.05 2.02 -1.96 0.14 112.91 114.82 3i9y h THR 206 Ca -0.02 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 3i9y h THR 206 Cb 1.24 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3i9y h THR 206 CO 0.11 0.05 -0.08 1.05 0.37 0.00 0.00 175.52 177.01 3i9y h GLU 207 N -0.83 0.00 -0.07 6.66 4.11 -1.67 -1.10 114.58 121.67 3i9y h GLU 207 Ca -0.07 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.12 3i9y h GLU 207 Cb 0.57 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.84 3i9y h GLU 207 CO 0.11 0.08 -0.91 -0.09 0.07 0.00 0.00 179.01 178.27 3i9y h ARG 208 N 0.00 0.75 -0.10 1.06 2.43 -1.42 -0.91 114.38 116.19 3i9y h ARG 208 Ca -0.00 -0.71 -0.20 0.00 -0.81 0.00 0.00 59.98 58.26 3i9y h ARG 208 Cb 0.31 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3i9y h ARG 208 CO 0.01 1.29 -0.75 -0.07 -1.51 0.00 0.00 179.97 178.94 3i9y h LEU 209 N 0.46 0.64 -0.63 3.80 3.38 -0.25 -2.83 115.31 119.89 3i9y h LEU 209 Ca -0.09 -0.43 -0.14 0.00 0.09 0.00 0.00 57.88 57.32 3i9y h LEU 209 Cb 1.56 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 3i9y h LEU 209 CO 0.18 1.19 -0.38 -0.74 0.09 0.00 0.00 178.44 178.78 3i9y h HIS 210 N 0.37 0.77 -0.29 1.13 2.76 -1.07 -0.60 115.15 118.22 3i9y h HIS 210 Ca -0.04 -0.22 -0.05 0.00 -2.20 0.00 0.00 60.37 57.86 3i9y h HIS 210 Cb 1.35 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 30.13 3i9y h HIS 210 CO 0.06 0.93 -0.01 1.49 -1.30 0.00 0.00 177.93 179.10 3i9y h GLU 211 N 0.54 0.52 -0.70 5.26 4.81 -1.15 -0.28 114.58 123.56 3i9y h GLU 211 Ca 0.05 -0.17 0.08 0.00 -0.13 0.00 0.00 59.36 59.18 3i9y h GLU 211 Cb 0.90 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.18 3i9y h GLU 211 CO 0.08 0.68 0.38 -0.07 -0.73 0.00 0.00 179.01 179.35 3i9y h LEU 212 N 0.31 0.53 -0.10 1.64 3.38 -1.23 0.60 115.31 120.45 3i9y h LEU 212 Ca 0.08 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3i9y h LEU 212 Cb 0.45 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3i9y h LEU 212 CO 0.02 0.32 0.06 -0.74 0.09 0.00 0.00 178.44 178.19 3i9y h HIS 213 N 0.67 0.13 -0.67 1.13 -0.00 -0.72 -0.90 115.15 114.79 3i9y h HIS 213 Ca 0.33 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.66 3i9y h HIS 213 Cb 0.28 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.61 3i9y h HIS 213 CO -0.09 0.12 0.25 -0.07 -0.00 0.00 0.00 177.93 178.14 3i9y h LEU 214 N 0.10 0.95 -1.11 0.26 3.38 -0.65 -2.16 115.31 116.08 3i9y h LEU 214 Ca 0.04 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3i9y h LEU 214 Cb 0.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3i9y h LEU 214 CO -0.01 0.87 0.18 0.25 0.09 0.00 0.00 178.44 179.83 3i9y h LEU 215 N 0.96 0.75 -0.82 1.67 5.85 -0.62 0.55 115.31 123.65 3i9y h LEU 215 Ca 0.22 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 3i9y h LEU 215 Cb 0.24 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3i9y h LEU 215 CO -0.01 0.70 -0.28 0.00 -0.34 0.00 0.00 178.44 178.51 3i9y h ALA 216 N 1.40 0.99 -0.16 1.25 0.00 -0.89 -0.66 119.26 121.20 3i9y h ALA 216 Ca 0.18 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 3i9y h ALA 216 Cb 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3i9y h ALA 216 CO -0.01 0.60 -0.62 0.74 0.00 0.00 0.00 179.25 179.95 3i9y h PHE 217 N 0.49 0.70 -0.28 0.00 0.04 -0.63 -2.41 116.94 114.86 3i9y h PHE 217 Ca 0.07 -0.27 -0.13 0.00 2.80 0.00 0.00 57.97 60.44 3i9y h PHE 217 Cb 0.74 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 3i9y h PHE 217 CO 0.03 1.02 -0.34 -0.22 -0.60 0.00 0.00 178.31 178.20 3i9y h LYS 218 N 0.40 0.62 -0.29 1.51 1.63 -0.60 -0.64 116.57 119.20 3i9y h LYS 218 Ca -0.01 -0.29 -0.10 0.00 -0.85 0.00 0.00 60.65 59.40 3i9y h LYS 218 Cb 1.18 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.79 3i9y h LYS 218 CO 0.12 0.87 -0.24 0.52 -3.45 0.00 0.00 179.45 177.27 3i9y h MET 219 N 0.52 0.56 -0.27 1.90 2.86 -0.89 -1.48 114.93 118.12 3i9y h MET 219 Ca 0.06 -0.21 -0.13 0.00 -2.06 0.00 0.00 59.70 57.35 3i9y h MET 219 Cb 0.84 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 3i9y h MET 219 CO 0.07 0.75 -0.38 1.25 1.06 0.00 0.00 176.91 179.67 3i9y h LEU 220 N 0.49 0.66 -0.77 1.22 6.46 -1.17 -2.00 115.31 120.21 3i9y h LEU 220 Ca 0.07 -0.29 -0.06 0.00 -0.12 0.00 0.00 57.88 57.48 3i9y h LEU 220 Cb 0.68 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 3i9y h LEU 220 CO 0.05 0.97 0.22 0.78 -0.62 0.00 0.00 178.44 179.84 3i9y h ASN 221 N 0.52 1.07 -0.25 1.25 2.35 -0.82 -0.86 115.58 118.84 3i9y h ASN 221 Ca 0.05 -0.21 0.02 0.00 -0.55 0.00 0.00 56.30 55.61 3i9y h ASN 221 Cb 0.89 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 3i9y h ASN 221 CO 0.08 1.00 0.10 1.56 -1.65 0.00 0.00 177.43 178.51 3i9y h GLN 222 N 1.09 0.22 -0.29 0.81 4.20 -0.88 0.13 115.11 120.38 3i9y h GLN 222 Ca 0.23 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 3i9y h GLN 222 Cb 0.32 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3i9y h GLN 222 CO -0.01 0.14 0.06 0.82 -0.67 0.00 0.00 178.83 179.18 3i9y h ILE 223 N 0.22 1.22 -0.72 2.54 2.04 -1.12 0.60 117.51 122.29 3i9y h ILE 223 Ca 0.11 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.22 3i9y h ILE 223 Cb 0.06 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 3i9y h ILE 223 CO -0.10 0.25 0.46 -0.33 0.00 0.00 0.00 178.15 178.43 3i9y h GLU 224 N 0.30 0.96 -0.10 2.37 4.39 -0.92 -2.79 114.58 118.79 3i9y h GLU 224 Ca 0.09 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 3i9y h GLU 224 Cb 0.31 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3i9y h GLU 224 CO 0.00 0.65 -0.26 1.49 -1.16 0.00 0.00 179.01 179.73 3i9y h GLU 225 N 0.98 0.35 -0.95 2.33 4.81 -0.32 -3.22 114.58 118.58 3i9y h GLU 225 Ca 0.26 -0.25 0.20 0.00 -0.13 0.00 0.00 59.36 59.44 3i9y h GLU 225 Cb -0.08 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.26 3i9y h GLU 225 CO -0.05 0.86 0.61 0.00 -0.73 0.00 0.00 179.01 179.69 3i9y h ALA 226 N 0.49 2.02 -0.03 2.92 0.00 -0.62 -0.70 119.26 123.34 3i9y h ALA 226 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i9y h ALA 226 Cb 0.87 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3i9y h ALA 226 CO 0.06 -0.34 0.00 2.89 0.00 0.00 0.00 179.25 181.86 3i9y n ARG 227 N -4.59 1.16 0.00 0.00 1.85 -1.12 -2.22 116.66 111.74 3i9y n ARG 227 Ca 0.21 -0.24 0.05 0.00 -1.00 0.00 0.00 57.85 56.87 3i9y n ARG 227 Cb 0.65 -1.35 0.03 0.00 -1.05 0.00 0.00 32.46 30.75 3i9y n ARG 227 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3i9y n THR 228 N -0.58 0.00 -2.78 8.89 -2.24 -0.28 -5.01 114.28 112.28 3i9y n THR 228 Ca 0.16 -0.46 -0.37 0.00 -2.27 0.00 0.00 64.05 61.11 3i9y n THR 228 Cb 0.13 1.19 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 3i9y n THR 228 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i9y s LEU 229 N -1.18 4.33 -0.01 3.22 1.43 -0.94 -4.93 118.68 120.59 3i9y s LEU 229 Ca 0.11 1.83 0.07 0.00 -1.03 0.00 0.00 54.13 55.11 3i9y s LEU 229 Cb 0.09 -4.02 0.19 0.00 0.03 0.00 0.00 46.19 42.48 3i9y s LEU 229 CO 0.18 -0.07 1.16 0.35 0.23 0.00 0.00 176.35 178.20 3i9y n THR 230 N 0.54 1.10 -4.89 5.49 -2.24 -1.26 -4.98 114.28 108.04 3i9y n THR 230 Ca 0.02 -1.09 -0.33 0.00 -2.27 0.00 0.00 64.05 60.38 3i9y n THR 230 Cb 0.50 0.43 -0.15 0.00 -2.10 0.00 0.00 70.33 69.02 3i9y n THR 230 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3i9y s ASN 231 N -1.12 3.82 0.26 3.42 3.84 -1.26 -5.01 114.94 118.90 3i9y s ASN 231 Ca 0.15 -0.35 0.12 0.00 0.21 0.00 0.00 52.86 52.99 3i9y s ASN 231 Cb 0.09 -1.40 0.29 0.00 -0.55 0.00 0.00 41.25 39.68 3i9y s ASN 231 CO 0.09 0.20 1.56 1.62 -2.79 0.00 0.00 177.10 177.78 3i9y h VAL 232 N 5.24 1.35 -0.18 -5.21 3.04 -2.00 -2.42 116.25 116.07 3i9y h VAL 232 Ca -0.29 -2.26 -0.15 0.00 -1.01 0.00 0.00 66.70 63.00 3i9y h VAL 232 Cb 1.20 2.25 -0.01 0.00 -2.01 0.00 0.00 31.29 32.73 3i9y h VAL 232 CO 0.53 0.62 -0.51 0.44 -1.01 0.00 0.00 177.57 177.64 3i9y h ASP 233 N 0.00 0.55 -0.81 3.17 5.19 -2.00 -2.53 116.42 119.99 3i9y h ASP 233 Ca -0.01 -0.28 -0.04 0.00 -0.62 0.00 0.00 57.03 56.09 3i9y h ASP 233 Cb 1.20 -0.16 -0.04 0.00 0.18 0.00 0.00 39.33 40.52 3i9y h ASP 233 CO 0.08 0.96 0.35 0.03 -3.12 0.00 0.00 179.24 177.54 3i9y h ARG 234 N 0.39 1.19 -0.26 3.56 2.47 -1.92 -2.02 114.38 117.80 3i9y h ARG 234 Ca 0.02 -0.20 0.01 0.00 -1.26 0.00 0.00 59.98 58.55 3i9y h ARG 234 Cb 1.03 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 29.13 3i9y h ARG 234 CO 0.09 0.94 0.14 0.82 0.56 0.00 0.00 179.97 182.53 3i9y h ILE 235 N 1.17 1.02 -0.22 2.04 2.04 -1.27 -1.64 117.51 120.65 3i9y h ILE 235 Ca 0.27 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.94 3i9y h ILE 235 Cb 0.18 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3i9y h ILE 235 CO -0.03 0.05 -0.28 1.56 0.00 0.00 0.00 178.15 179.46 3i9y h GLN 236 N 0.30 0.43 -0.47 2.37 4.20 -1.28 -1.32 115.11 119.34 3i9y h GLN 236 Ca 0.10 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 3i9y h GLN 236 Cb 0.01 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3i9y h GLN 236 CO -0.06 0.67 -0.04 0.37 -0.67 0.00 0.00 178.83 179.10 3i9y h GLN 237 N 0.38 0.80 -0.12 1.46 4.15 -1.13 -2.26 115.11 118.39 3i9y h GLN 237 Ca 0.05 -0.24 -0.17 0.00 0.77 0.00 0.00 58.65 59.07 3i9y h GLN 237 Cb 0.69 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 3i9y h GLN 237 CO 0.05 0.83 -0.64 0.82 -1.93 0.00 0.00 178.83 177.96 3i9y h ILE 238 N 0.74 1.35 -0.63 2.39 2.04 -0.92 0.14 117.51 122.62 3i9y h ILE 238 Ca 0.14 -1.98 0.00 0.00 1.00 0.00 0.00 64.86 64.02 3i9y h ILE 238 Cb 0.51 1.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 3i9y h ILE 238 CO 0.03 0.60 0.41 -0.61 0.00 0.00 0.00 178.15 178.58 3i9y h GLN 239 N 0.33 0.84 0.01 2.37 4.15 -1.15 0.22 115.11 121.87 3i9y h GLN 239 Ca -0.01 -0.05 -0.22 0.00 0.77 0.00 0.00 58.65 59.13 3i9y h GLN 239 Cb 1.20 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.67 3i9y h GLN 239 CO 0.11 0.56 -1.09 1.79 -1.93 0.00 0.00 178.83 178.28 3i9y h THR 240 N 0.86 1.62 -0.53 2.39 1.35 -0.94 -1.52 112.91 116.13 3i9y h THR 240 Ca 0.23 -3.33 -0.00 0.00 -0.55 0.00 0.00 66.41 62.76 3i9y h THR 240 Cb -0.09 2.81 -0.03 0.00 -1.73 0.00 0.00 68.15 69.12 3i9y h THR 240 CO -0.05 0.92 0.32 0.00 -0.25 0.00 0.00 175.52 176.46 3i9y h ALA 241 N 0.97 1.56 0.09 6.62 0.00 -0.45 -0.10 119.26 127.96 3i9y h ALA 241 Ca -0.05 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 3i9y h ALA 241 Cb 1.81 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.39 3i9y h ALA 241 CO 0.13 0.38 -1.15 0.35 0.00 0.00 0.00 179.25 178.96 3i9y h PHE 242 N 0.73 0.65 -0.46 0.00 3.57 -0.85 -1.83 116.94 118.75 3i9y h PHE 242 Ca 0.19 -0.42 -0.09 0.00 3.53 0.00 0.00 57.97 61.18 3i9y h PHE 242 Cb -0.02 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3i9y h PHE 242 CO 0.00 1.28 -0.08 1.49 -2.23 0.00 0.00 178.31 178.77 3i9y h GLU 243 N 0.17 0.81 -0.56 1.11 4.81 -0.63 -1.21 114.58 119.08 3i9y h GLU 243 Ca -0.13 -0.26 -0.11 0.00 -0.13 0.00 0.00 59.36 58.73 3i9y h GLU 243 Cb 1.84 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 31.12 3i9y h GLU 243 CO 0.20 0.87 -0.09 -0.91 -0.73 0.00 0.00 179.01 178.35 3i9y h ASN 244 N 0.74 1.05 -0.71 1.04 2.35 -0.77 -2.34 115.58 116.94 3i9y h ASN 244 Ca 0.13 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.51 3i9y h ASN 244 Cb 0.56 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 3i9y h ASN 244 CO 0.03 1.15 0.36 0.78 -1.65 0.00 0.00 177.43 178.10 3i9y h ASN 245 N 0.94 0.91 -0.84 5.81 2.35 -1.11 0.12 115.58 123.76 3i9y h ASN 245 Ca 0.15 -0.12 0.03 0.00 -0.55 0.00 0.00 56.30 55.81 3i9y h ASN 245 Cb 0.66 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.75 3i9y h ASN 245 CO 0.05 0.77 0.54 0.25 -1.65 0.00 0.00 177.43 177.39 3i9y h LEU 246 N 0.98 0.90 0.25 1.61 5.85 -1.07 0.86 115.31 124.69 3i9y h LEU 246 Ca 0.24 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3i9y h LEU 246 Cb 0.09 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.92 3i9y h LEU 246 CO -0.03 0.63 -0.12 0.11 -0.34 0.00 0.00 178.44 178.69 3i9y h LYS 247 N 1.06 -0.32 -0.53 1.25 1.57 -0.63 -0.41 116.57 118.56 3i9y h LYS 247 Ca 0.33 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.21 3i9y h LYS 247 Cb -0.02 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 3i9y h LYS 247 CO -0.11 -0.14 0.17 0.82 -0.57 0.00 0.00 179.45 179.63 3i9y h ILE 248 N -0.44 0.79 -0.63 1.86 2.04 -0.85 -0.53 117.51 119.76 3i9y h ILE 248 Ca -0.03 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.76 3i9y h ILE 248 Cb 0.33 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 3i9y h ILE 248 CO 0.06 0.06 0.35 -0.03 0.00 0.00 0.00 178.15 178.59 3i9y h MET 249 N 0.34 0.64 -0.02 2.37 4.05 -0.73 0.48 114.93 122.05 3i9y h MET 249 Ca 0.26 -0.04 -0.17 0.00 -0.28 0.00 0.00 59.70 59.47 3i9y h MET 249 Cb 0.31 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 3i9y h MET 249 CO -0.28 0.42 -0.74 0.87 0.23 0.00 0.00 176.91 177.41 3i9y h LYS 250 N 0.65 0.16 -0.26 0.39 1.57 -0.14 -0.22 116.57 118.73 3i9y h LYS 250 Ca 0.28 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 3i9y h LYS 250 Cb 0.15 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3i9y h LYS 250 CO -0.17 0.83 -0.33 -0.09 -0.57 0.00 0.00 179.45 179.12 3i9y h ARG 251 N 0.11 0.56 -0.44 3.15 2.43 -0.62 -2.91 114.38 116.65 3i9y h ARG 251 Ca -0.02 -0.25 -0.08 0.00 -0.81 0.00 0.00 59.98 58.82 3i9y h ARG 251 Cb 1.30 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 3i9y h ARG 251 CO 0.11 0.82 -0.05 0.00 -1.51 0.00 0.00 179.97 179.34 3i9y h ARG 252 N 0.48 0.76 0.00 0.20 3.08 -0.55 -2.83 114.38 115.51 3i9y h ARG 252 Ca 0.05 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 3i9y h ARG 252 Cb 0.81 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 3i9y h ARG 252 CO 0.07 0.80 -0.13 -0.39 -1.07 0.00 0.00 179.97 179.24 3i9y h VAL 253 N 0.70 0.35 -0.67 2.04 -1.51 -0.86 -2.57 116.25 113.73 3i9y h VAL 253 Ca 0.13 -0.86 0.03 0.00 -1.23 0.00 0.00 66.70 64.77 3i9y h VAL 253 Cb 0.50 1.65 -0.04 0.00 -2.13 0.00 0.00 31.29 31.27 3i9y h VAL 253 CO 0.03 0.13 0.41 -0.07 -1.23 0.00 0.00 177.57 176.84 3i9y h LEU 254 N 0.00 0.66 0.00 4.19 3.38 -1.32 -1.07 115.31 121.15 3i9y h LEU 254 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i9y h LEU 254 Cb 0.64 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3i9y h LEU 254 CO 0.02 0.45 0.00 0.00 0.09 0.00 0.00 178.44 179.00 3i9y n ALA 255 N -2.31 1.73 -2.64 1.53 0.00 -0.97 -4.68 120.51 113.17 3i9y n ALA 255 Ca 0.07 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 3i9y n ALA 255 Cb 0.10 -1.09 -0.04 0.00 0.00 0.00 0.00 19.45 18.42 3i9y n ALA 255 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i9y s VAL 256 N -2.00 4.78 0.08 0.00 1.01 -0.41 -4.99 120.40 118.87 3i9y s VAL 256 Ca 0.09 1.63 -0.32 0.00 0.00 0.00 0.00 61.98 63.37 3i9y s VAL 256 Cb 0.04 -4.18 -0.17 0.00 0.00 0.00 0.00 36.38 32.07 3i9y s VAL 256 CO 0.07 -0.14 1.63 -0.33 0.00 0.00 0.00 175.10 176.32 3i9y h GLU 257 N 7.71 -0.79 -6.18 2.72 4.39 -1.88 -3.42 114.58 117.13 3i9y h GLU 257 Ca -0.22 0.05 -0.56 0.00 0.34 0.00 0.00 59.36 58.97 3i9y h GLU 257 Cb 1.08 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3i9y h GLU 257 CO 0.91 -0.53 1.33 0.34 -1.16 0.00 0.00 179.01 179.90 3i9y s ASP 258 N -4.49 5.99 0.26 1.42 3.68 -1.26 -4.81 116.67 117.47 3i9y s ASP 258 Ca -0.17 2.10 -0.02 0.00 2.13 0.00 0.00 52.55 56.60 3i9y s ASP 258 Cb 0.04 -2.52 0.52 0.00 -1.45 0.00 0.00 42.92 39.52 3i9y s ASP 258 CO 0.63 -1.50 1.74 1.55 0.13 0.00 0.00 175.17 177.72 3i9y h PRO 259 N 12.59 0.51 -0.09 4.34 0.13 -1.99 -0.32 132.00 147.17 3i9y h PRO 259 Ca -0.42 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 3i9y h PRO 259 Cb 1.22 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3i9y h PRO 259 CO 0.96 0.34 -0.06 1.15 -0.23 0.00 0.00 178.00 180.16 3i9y h THR 260 N 0.53 1.34 -0.40 1.56 2.02 -1.95 -2.38 112.91 113.63 3i9y h THR 260 Ca 0.45 -1.14 0.02 0.00 0.77 0.00 0.00 66.41 66.51 3i9y h THR 260 Cb 0.69 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 3i9y h THR 260 CO -0.40 0.32 0.23 0.03 0.37 0.00 0.00 175.52 176.08 3i9y h ARG 261 N -0.18 0.46 -0.44 6.66 2.47 -1.85 0.14 114.38 121.64 3i9y h ARG 261 Ca 0.02 -0.03 0.07 0.00 -1.26 0.00 0.00 59.98 58.78 3i9y h ARG 261 Cb 0.54 -0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 28.70 3i9y h ARG 261 CO 0.02 0.30 0.08 1.03 0.56 0.00 0.00 179.97 181.96 3i9y h SER 262 N 0.47 -0.01 1.16 7.04 0.87 -1.09 -0.29 113.55 121.70 3i9y h SER 262 Ca 0.16 0.08 -0.16 0.00 -1.23 0.00 0.00 61.79 60.63 3i9y h SER 262 Cb 0.01 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 3i9y h SER 262 CO -0.08 0.03 -0.87 0.07 -0.53 0.00 0.00 176.83 175.45 3i9y h LYS 263 N 0.21 0.00 -0.16 2.24 5.09 -0.83 -1.54 116.57 121.58 3i9y h LYS 263 Ca 0.22 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.87 3i9y h LYS 263 Cb 0.28 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.59 3i9y h LYS 263 CO -0.29 0.66 -0.28 1.96 -2.09 0.00 0.00 179.45 179.41 3i9y h GLN 264 N 0.00 0.29 -0.13 0.07 4.20 -0.08 -2.15 115.11 117.31 3i9y h GLN 264 Ca -0.04 -0.10 -0.14 0.00 0.06 0.00 0.00 58.65 58.43 3i9y h GLN 264 Cb 1.59 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.34 3i9y h GLN 264 CO 0.09 0.55 -0.50 0.52 -0.67 0.00 0.00 178.83 178.81 3i9y h MET 265 N 0.26 0.36 -0.00 1.46 2.86 -0.94 -2.75 114.93 116.17 3i9y h MET 265 Ca 0.04 -0.21 -0.20 0.00 -2.06 0.00 0.00 59.70 57.27 3i9y h MET 265 Cb 0.63 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 3i9y h MET 265 CO 0.05 0.78 -0.87 1.03 1.06 0.00 0.00 176.91 178.96 3i9y h SER 266 N 0.29 0.30 1.09 1.22 0.87 -0.86 -0.64 113.55 115.82 3i9y h SER 266 Ca 0.01 -0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 60.26 3i9y h SER 266 Cb 0.99 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.85 3i9y h SER 266 CO 0.08 1.03 -0.35 0.06 -0.53 0.00 0.00 176.83 177.12 3i9y h GLN 267 N 0.13 0.00 -0.21 2.24 3.07 -1.30 -1.33 115.11 117.72 3i9y h GLN 267 Ca -0.05 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.55 3i9y h GLN 267 Cb 1.49 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.04 3i9y h GLN 267 CO 0.14 0.35 -0.46 -0.07 0.09 0.00 0.00 178.83 178.88 3i9y h LEU 268 N 0.00 0.58 -0.95 0.06 3.38 -1.05 -2.02 115.31 115.30 3i9y h LEU 268 Ca -0.00 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 3i9y h LEU 268 Cb 0.99 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3i9y h LEU 268 CO 0.05 0.95 -0.49 -0.07 0.09 0.00 0.00 178.44 178.97 3i9y h LEU 269 N 0.43 0.00 -0.30 1.67 3.38 -0.93 -0.25 115.31 119.31 3i9y h LEU 269 Ca 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3i9y h LEU 269 Cb 0.97 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3i9y h LEU 269 CO 0.09 0.49 -0.62 0.00 0.09 0.00 0.00 178.44 178.48 3i9y h THR 270 N 0.00 1.17 -0.73 0.22 1.03 -0.55 0.10 112.91 114.14 3i9y h THR 270 Ca -0.00 -2.38 -0.06 0.00 -0.01 0.00 0.00 66.41 63.95 3i9y h THR 270 Cb 0.92 2.40 -0.03 0.00 -1.07 0.00 0.00 68.15 70.37 3i9y h THR 270 CO 0.06 0.61 0.20 -0.33 -0.01 0.00 0.00 175.52 176.05 3i9y h GLU 271 N 0.00 1.15 -0.32 0.00 4.39 -0.86 -1.72 114.58 117.21 3i9y h GLU 271 Ca -0.01 -0.26 -0.15 0.00 0.34 0.00 0.00 59.36 59.28 3i9y h GLU 271 Cb 1.35 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 3i9y h GLU 271 CO 0.08 0.99 -0.40 -0.07 -1.16 0.00 0.00 179.01 178.45 3i9y h LEU 272 N 1.09 0.84 -1.47 1.33 3.38 -0.89 -2.58 115.31 117.01 3i9y h LEU 272 Ca 0.23 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3i9y h LEU 272 Cb 0.34 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3i9y h LEU 272 CO -0.00 1.14 -0.24 1.23 0.09 0.00 0.00 178.44 180.66 3i9y h GLY 273 N 0.89 0.00 2.00 0.83 0.00 0.04 -1.34 103.07 105.49 3i9y h GLY 273 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 3i9y h GLY 273 CO 0.09 0.00 -0.23 0.50 0.00 0.00 0.00 176.54 176.91 3i9y h LYS 274 N 0.00 0.00 -0.17 4.80 1.57 -0.93 -2.60 116.57 119.24 3i9y h LYS 274 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i9y h LYS 274 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3i9y h LYS 274 CO 0.03 0.23 0.00 0.54 -0.57 0.00 0.00 179.45 179.68 3i9y n ARG 275 N -3.36 1.61 0.15 3.15 1.74 -0.51 -3.61 116.66 115.83 3i9y n ARG 275 Ca 0.00 -0.92 0.12 0.00 -0.77 0.00 0.00 57.85 56.29 3i9y n ARG 275 Cb 0.44 -1.33 0.55 0.00 -1.02 0.00 0.00 32.46 31.10 3i9y n ARG 275 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3i9y h GLN 276 N 1.75 0.00 0.00 5.56 4.20 -1.48 -0.61 115.11 124.52 3i9y h GLN 276 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3i9y h GLN 276 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3i9y h GLN 276 CO 0.00 0.00 0.13 -0.39 -0.67 0.00 0.00 178.83 177.90 3i9y h VAL 277 N 0.00 0.00 0.00 -0.54 -1.51 -1.82 -2.01 116.25 110.37 3i9y h VAL 277 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3i9y h VAL 277 Cb 0.23 0.79 -0.00 0.00 -2.13 0.00 0.00 31.29 30.18 3i9y h VAL 277 CO 0.00 0.00 -0.00 1.62 -1.23 0.00 0.00 177.57 177.96 3i9y h VAL 278 N 0.00 0.98 0.00 7.19 3.04 -1.43 -0.63 116.25 125.40 3i9y h VAL 278 Ca 0.00 -0.02 -0.09 0.00 -1.01 0.00 0.00 66.70 65.58 3i9y h VAL 278 Cb 0.25 1.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.53 3i9y h VAL 278 CO 0.00 0.00 -0.45 -0.26 -1.01 0.00 0.00 177.57 175.85 3i9y h PHE 279 N 0.00 0.00 0.00 3.17 0.04 -1.61 -0.31 116.94 118.23 3i9y h PHE 279 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3i9y h PHE 279 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 3i9y h PHE 279 CO 0.00 0.45 -0.06 1.79 -0.60 0.00 0.00 178.31 179.89 3i9y h THR 280 N 0.00 0.00 0.01 -1.55 1.35 -1.29 -2.11 112.91 109.32 3i9y h THR 280 Ca -0.00 -0.77 -0.20 0.00 -0.55 0.00 0.00 66.41 64.88 3i9y h THR 280 Cb 0.93 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 69.07 3i9y h THR 280 CO 0.06 0.00 -0.92 0.40 -0.25 0.00 0.00 175.52 174.81 3i9y h ILE 281 N 0.00 1.60 -0.44 6.82 2.04 -1.03 -2.44 117.51 124.06 3i9y h ILE 281 Ca 0.00 -2.97 -0.07 0.00 1.00 0.00 0.00 64.86 62.82 3i9y h ILE 281 Cb 0.89 2.64 -0.02 0.00 -0.74 0.00 0.00 36.82 39.59 3i9y h ILE 281 CO 0.00 0.85 -0.02 -0.07 0.00 0.00 0.00 178.15 178.92 3i9y h LEU 282 N 0.03 0.71 -0.57 1.44 3.38 -0.87 0.12 115.31 119.55 3i9y h LEU 282 Ca -0.03 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.63 3i9y h LEU 282 Cb 1.60 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 3i9y h LEU 282 CO 0.13 0.78 -0.41 -0.07 0.09 0.00 0.00 178.44 178.96 3i9y h LEU 283 N 0.69 0.73 -0.76 1.67 3.38 -1.15 0.69 115.31 120.56 3i9y h LEU 283 Ca 0.13 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 3i9y h LEU 283 Cb 0.45 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3i9y h LEU 283 CO 0.02 1.05 -0.03 1.56 0.09 0.00 0.00 178.44 181.13 3i9y h GLN 284 N 0.56 0.91 -0.48 1.13 4.20 -0.87 -1.52 115.11 119.03 3i9y h GLN 284 Ca 0.04 -0.28 -0.10 0.00 0.06 0.00 0.00 58.65 58.37 3i9y h GLN 284 Cb 0.95 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 3i9y h GLN 284 CO 0.09 0.92 -0.12 0.37 -0.67 0.00 0.00 178.83 179.42 3i9y h GLN 285 N 0.83 0.88 0.14 1.46 4.15 -0.59 -0.62 115.11 121.37 3i9y h GLN 285 Ca 0.15 -0.31 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 3i9y h GLN 285 Cb 0.54 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.17 3i9y h GLN 285 CO 0.03 0.95 -0.07 -0.92 -1.93 0.00 0.00 178.83 176.90 3i9y h TYR 286 N 0.79 -0.17 -0.76 3.99 3.20 -0.22 0.37 116.97 124.18 3i9y h TYR 286 Ca 0.13 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.02 3i9y h TYR 286 Cb 0.64 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 3i9y h TYR 286 CO 0.04 -0.08 0.50 0.93 -1.64 0.00 0.00 178.16 177.91 3i9y h GLU 287 N -0.22 0.91 -0.14 1.82 5.08 -1.16 -1.13 114.58 119.74 3i9y h GLU 287 Ca -0.02 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.07 3i9y h GLU 287 Cb 0.17 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.23 3i9y h GLU 287 CO 0.03 0.60 -0.78 -0.97 -1.00 0.00 0.00 179.01 176.89 3i9y h ASN 288 N 0.93 0.88 -0.38 1.42 -0.73 -0.83 -1.25 115.58 115.63 3i9y h ASN 288 Ca 0.30 -0.58 -0.06 0.00 1.87 0.00 0.00 56.30 57.83 3i9y h ASN 288 Cb 0.03 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.34 3i9y h ASN 288 CO -0.08 1.37 0.04 0.78 -0.37 0.00 0.00 177.43 179.17 3i9y h ASN 289 N 0.50 0.69 -0.28 1.15 2.35 -0.54 0.54 115.58 120.01 3i9y h ASN 289 Ca -0.05 -0.15 -0.14 0.00 -0.55 0.00 0.00 56.30 55.41 3i9y h ASN 289 Cb 1.40 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.59 3i9y h ASN 289 CO 0.16 0.74 -0.39 -0.08 -1.65 0.00 0.00 177.43 176.21 3i9y h GLU 290 N 0.70 0.75 -0.69 0.81 4.81 -0.76 -0.36 114.58 119.82 3i9y h GLU 290 Ca 0.14 -0.44 -0.04 0.00 -0.13 0.00 0.00 59.36 58.90 3i9y h GLU 290 Cb 0.38 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 3i9y h GLU 290 CO 0.01 1.06 0.28 0.37 -0.73 0.00 0.00 179.01 180.00 3i9y h GLN 291 N 0.49 1.02 -0.08 1.92 5.75 -1.07 -1.05 115.11 122.09 3i9y h GLN 291 Ca 0.03 -0.17 -0.13 0.00 -0.15 0.00 0.00 58.65 58.23 3i9y h GLN 291 Cb 0.98 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.34 3i9y h GLN 291 CO 0.09 0.83 -0.52 1.03 -2.65 0.00 0.00 178.83 177.61 3i9y h SER 292 N 1.00 0.25 -0.35 -0.69 0.87 -0.42 -0.38 113.55 113.82 3i9y h SER 292 Ca 0.23 -0.13 -0.15 0.00 -1.23 0.00 0.00 61.79 60.52 3i9y h SER 292 Cb 0.19 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 3i9y h SER 292 CO -0.02 0.73 -0.35 -0.61 -0.53 0.00 0.00 176.83 176.04 3i9y h GLN 293 N 0.18 0.86 -0.57 2.24 5.75 -0.50 -1.16 115.11 121.91 3i9y h GLN 293 Ca 0.00 -0.46 -0.01 0.00 -0.15 0.00 0.00 58.65 58.04 3i9y h GLN 293 Cb 0.98 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.52 3i9y h GLN 293 CO 0.08 1.10 0.30 1.96 -2.65 0.00 0.00 178.83 179.61 3i9y h GLN 294 N 0.65 0.78 -0.45 1.69 4.20 -0.98 -2.41 115.11 118.60 3i9y h GLN 294 Ca 0.05 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.55 3i9y h GLN 294 Cb 0.94 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 3i9y h GLN 294 CO 0.09 0.59 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.53 3i9y h LEU 295 N 0.79 0.96 -0.80 1.46 4.07 -0.70 -1.68 115.31 119.41 3i9y h LEU 295 Ca 0.20 -0.37 -0.12 0.00 0.08 0.00 0.00 57.88 57.67 3i9y h LEU 295 Cb 0.04 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 3i9y h LEU 295 CO -0.03 1.15 -0.38 0.24 -1.08 0.00 0.00 178.44 178.34 3i9y h MET 296 N 0.81 0.44 -0.50 1.13 2.86 -0.81 -0.28 114.93 118.58 3i9y h MET 296 Ca 0.10 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 3i9y h MET 296 Cb 0.80 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 3i9y h MET 296 CO 0.07 0.76 0.19 0.37 1.06 0.00 0.00 176.91 179.36 3i9y h GLN 297 N 0.37 0.75 -0.26 1.72 5.75 -1.25 -2.45 115.11 119.73 3i9y h GLN 297 Ca 0.04 -0.14 -0.07 0.00 -0.15 0.00 0.00 58.65 58.33 3i9y h GLN 297 Cb 0.84 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.25 3i9y h GLN 297 CO 0.07 0.67 -0.13 -0.22 -2.65 0.00 0.00 178.83 176.57 3i9y h LYS 298 N 0.66 0.43 -0.79 1.69 1.63 -0.66 -1.70 116.57 117.83 3i9y h LYS 298 Ca 0.16 -0.12 0.02 0.00 -0.85 0.00 0.00 60.65 59.86 3i9y h LYS 298 Cb 0.21 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.75 3i9y h LYS 298 CO -0.01 0.57 0.52 1.15 -3.45 0.00 0.00 179.45 178.22 3i9y h THR 299 N 0.40 1.18 -0.14 1.00 2.02 -0.59 0.13 112.91 116.91 3i9y h THR 299 Ca 0.08 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 3i9y h THR 299 Cb 0.48 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 3i9y h THR 299 CO 0.03 0.19 -0.02 -0.07 0.37 0.00 0.00 175.52 176.01 3i9y h LEU 300 N 1.04 0.26 -1.28 2.58 3.38 -1.15 -1.19 115.31 118.95 3i9y h LEU 300 Ca 0.30 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3i9y h LEU 300 Cb -0.08 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3i9y h LEU 300 CO -0.08 0.55 0.02 -0.33 0.09 0.00 0.00 178.44 178.69 3i9y h GLU 301 N -0.04 0.51 -0.15 1.13 5.08 -1.07 -2.23 114.58 117.81 3i9y h GLU 301 Ca 0.04 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 3i9y h GLU 301 Cb 0.44 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3i9y h GLU 301 CO 0.01 0.52 -0.55 -0.07 -1.00 0.00 0.00 179.01 177.92 3i9y h LEU 302 N 0.49 0.52 -0.58 1.33 3.38 -0.54 -1.36 115.31 118.55 3i9y h LEU 302 Ca 0.11 -0.28 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 3i9y h LEU 302 Cb 0.29 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3i9y h LEU 302 CO 0.01 0.96 -0.68 -0.26 0.09 0.00 0.00 178.44 178.56 3i9y h PHE 303 N 0.36 0.00 -0.21 1.13 -1.00 -1.02 -0.76 116.94 115.43 3i9y h PHE 303 Ca 0.01 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.65 3i9y h PHE 303 Cb 1.08 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.64 3i9y h PHE 303 CO 0.04 0.68 -0.39 1.03 -1.61 0.00 0.00 178.31 178.06 3i9y h SER 304 N 0.00 0.72 -0.28 2.17 0.87 -1.34 -2.02 113.55 113.66 3i9y h SER 304 Ca -0.01 -0.54 -0.07 0.00 -1.23 0.00 0.00 61.79 59.94 3i9y h SER 304 Cb 1.24 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 3i9y h SER 304 CO 0.09 1.12 -0.06 -0.33 -0.53 0.00 0.00 176.83 177.12 3i9y h GLU 305 N 0.34 0.66 -0.43 2.24 5.08 -1.12 -1.41 114.58 119.94 3i9y h GLU 305 Ca 0.01 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3i9y h GLU 305 Cb 0.99 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3i9y h GLU 305 CO 0.09 0.72 0.20 1.25 -1.00 0.00 0.00 179.01 180.27 3i9y h LEU 306 N 0.61 0.56 -0.58 1.33 5.85 -0.89 -2.05 115.31 120.15 3i9y h LEU 306 Ca 0.12 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 3i9y h LEU 306 Cb 0.48 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3i9y h LEU 306 CO 0.03 0.54 -0.50 0.78 -0.34 0.00 0.00 178.44 178.94 3i9y h ASN 307 N 0.55 0.00 0.41 1.25 4.21 -1.22 0.02 115.58 120.80 3i9y h ASN 307 Ca 0.15 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.53 3i9y h ASN 307 Cb 0.12 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.31 3i9y h ASN 307 CO -0.02 0.50 -0.55 -1.28 -1.29 0.00 0.00 177.43 174.79 3i9y h SER 308 N 0.00 0.17 0.14 5.81 0.87 -1.08 0.15 113.55 119.61 3i9y h SER 308 Ca -0.00 -0.09 -0.24 0.00 -1.23 0.00 0.00 61.79 60.22 3i9y h SER 308 Cb 1.14 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 63.06 3i9y h SER 308 CO 0.06 0.69 -0.97 0.74 -0.53 0.00 0.00 176.83 176.82 3i9y h THR 309 N 0.12 1.33 -0.07 2.23 2.02 -0.95 -2.71 112.91 114.88 3i9y h THR 309 Ca -0.00 -2.30 -0.13 0.00 0.77 0.00 0.00 66.41 64.75 3i9y h THR 309 Cb 1.01 2.35 -0.01 0.00 -1.74 0.00 0.00 68.15 69.76 3i9y h THR 309 CO 0.08 0.70 -0.54 -0.37 0.37 0.00 0.00 175.52 175.76 3i9y h VAL 310 N 0.34 1.37 -0.16 3.16 -1.51 -0.33 -0.74 116.25 118.38 3i9y h VAL 310 Ca -0.10 -1.84 -0.04 0.00 -1.23 0.00 0.00 66.70 63.49 3i9y h VAL 310 Cb 1.61 1.92 -0.01 0.00 -2.13 0.00 0.00 31.29 32.68 3i9y h VAL 310 CO 0.18 0.54 -0.08 0.78 -1.23 0.00 0.00 177.57 177.77 3i9y h ASN 311 N 0.16 0.22 -0.17 4.19 2.35 -0.64 -2.13 115.58 119.56 3i9y h ASN 311 Ca 0.00 -0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 3i9y h ASN 311 Cb 1.01 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 3i9y h ASN 311 CO 0.08 0.33 -0.30 0.11 -1.65 0.00 0.00 177.43 176.00 3i9y h LYS 312 N 0.23 0.66 -0.06 0.81 1.57 -1.02 -2.54 116.57 116.22 3i9y h LYS 312 Ca 0.05 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 3i9y h LYS 312 Cb 0.29 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3i9y h LYS 312 CO 0.01 0.88 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.50 3i9y h LEU 313 N 0.56 0.10 0.00 2.94 3.38 -0.54 -2.28 115.31 119.46 3i9y h LEU 313 Ca 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3i9y h LEU 313 Cb 0.80 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3i9y h LEU 313 CO 0.07 0.31 0.00 0.55 0.09 0.00 0.00 178.44 179.45 3i9y n VAL 314 N -4.26 0.00 -3.16 1.22 3.14 -0.86 -3.42 118.33 110.99 3i9y n VAL 314 Ca -0.02 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.94 3i9y n VAL 314 Cb 0.29 -0.53 -0.00 0.00 -1.06 0.00 0.00 33.84 32.54 3i9y n VAL 314 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3i9y n ASP 315 N -1.01 5.89 -0.33 6.55 9.92 -0.86 -3.43 116.55 133.27 3i9y n ASP 315 Ca 0.22 -3.30 0.00 0.00 -0.53 0.00 0.00 54.79 51.19 3i9y n ASP 315 Cb 0.11 -1.25 0.00 0.00 -0.64 0.00 0.00 41.12 39.34 3i9y n ASP 315 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3i9y n ASP 316 N 1.73 0.00 -0.20 -2.24 5.75 -1.22 -4.99 116.55 115.37 3i9y n ASP 316 Ca 0.25 -1.64 0.03 0.00 -0.01 0.00 0.00 54.79 53.42 3i9y n ASP 316 Cb 0.35 -0.13 0.02 0.00 -1.03 0.00 0.00 41.12 40.34 3i9y n ASP 316 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55