#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jww s PHE 70 N 0.00 2.59 -0.18 5.64 0.08 -1.26 -5.02 117.98 119.83 3jww s PHE 70 Ca 0.00 -1.77 -0.35 0.00 0.12 0.00 0.00 56.93 54.93 3jww s PHE 70 Cb 0.00 -1.69 -0.12 0.00 -0.57 0.00 0.00 43.02 40.64 3jww s PHE 70 CO 0.00 -0.78 1.95 -0.35 -0.10 0.00 0.00 175.22 175.94 3jww n PRO 71 N 4.63 1.80 -2.63 0.24 -0.04 -1.26 -4.87 135.00 132.87 3jww n PRO 71 Ca -0.14 0.63 -0.42 0.00 -0.04 0.00 0.00 63.50 63.52 3jww n PRO 71 Cb 0.45 -2.58 -0.03 0.00 -0.04 0.00 0.00 33.50 31.30 3jww n PRO 71 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3jww s ARG 72 N 4.63 4.45 -0.17 0.54 3.52 -1.26 -1.99 118.95 128.68 3jww s ARG 72 Ca 0.98 1.49 0.01 0.00 -0.13 0.00 0.00 55.73 58.07 3jww s ARG 72 Cb -0.75 -3.50 0.03 0.00 -1.56 0.00 0.00 34.95 29.17 3jww s ARG 72 CO 0.52 -0.25 -0.13 0.08 -0.81 0.00 0.00 175.30 174.71 3jww s VAL 73 N 1.65 1.61 -0.02 7.11 1.01 0.14 -4.96 120.40 126.94 3jww s VAL 73 Ca 0.52 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3jww s VAL 73 Cb -0.21 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 3jww s VAL 73 CO 0.23 0.35 -0.09 -0.75 0.00 0.00 0.00 175.10 174.84 3jww s LYS 74 N 1.45 2.54 -0.35 2.72 2.20 -1.26 -0.78 119.74 126.26 3jww s LYS 74 Ca 0.03 -0.71 -0.13 0.00 -0.36 0.00 0.00 55.97 54.80 3jww s LYS 74 Cb -0.14 -2.47 -0.01 0.00 -1.51 0.00 0.00 37.83 33.70 3jww s LYS 74 CO -0.10 0.61 0.25 1.21 -0.36 0.00 0.00 175.35 176.96 3jww s ASN 75 N -1.19 6.06 0.03 1.43 3.84 -0.15 -1.66 114.94 123.30 3jww s ASN 75 Ca 0.15 -0.49 0.18 0.00 0.21 0.00 0.00 52.86 52.91 3jww s ASN 75 Cb -0.11 -2.14 0.77 0.00 -0.55 0.00 0.00 41.25 39.22 3jww s ASN 75 CO 0.05 -0.26 1.58 0.79 -2.79 0.00 0.00 177.10 176.46 3jww n TRP 76 N 5.11 0.11 0.05 0.43 7.02 0.18 -0.47 117.44 129.88 3jww n TRP 76 Ca -0.12 0.04 -0.15 0.00 -1.02 0.00 0.00 57.50 56.25 3jww n TRP 76 Cb 0.49 -0.57 -0.14 0.00 -2.42 0.00 0.00 31.31 28.68 3jww n TRP 76 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3jww h GLU 77 N 0.00 0.19 0.00 -0.99 4.81 -1.95 -3.41 114.58 113.23 3jww h GLU 77 Ca 0.00 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3jww h GLU 77 Cb 0.32 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3jww h GLU 77 CO 0.00 1.03 -0.68 1.28 -0.73 0.00 0.00 179.01 179.90 3jww n LEU 78 N -3.39 0.01 0.00 1.64 4.77 -1.15 -5.02 117.00 113.86 3jww n LEU 78 Ca -0.14 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 3jww n LEU 78 Cb 1.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 3jww n LEU 78 CO 0.49 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3jww n GLY 79 N 1.96 0.75 3.86 -0.72 0.00 0.38 -5.05 105.19 106.36 3jww n GLY 79 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3jww n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jww s SER 80 N -2.50 6.74 0.12 1.61 1.04 -1.23 -4.84 113.70 114.65 3jww s SER 80 Ca 0.00 1.01 0.08 0.00 0.48 0.00 0.00 55.95 57.52 3jww s SER 80 Cb 0.00 -2.26 -0.04 0.00 0.10 0.00 0.00 66.02 63.82 3jww s SER 80 CO 0.00 0.03 -0.11 -0.63 0.98 0.00 0.00 173.24 173.51 3jww s ILE 81 N -1.61 3.24 -0.14 -1.02 1.01 -1.26 -0.98 121.20 120.43 3jww s ILE 81 Ca 0.42 -1.40 -0.13 0.00 0.00 0.00 0.00 60.65 59.54 3jww s ILE 81 Cb -0.13 -2.53 0.04 0.00 0.01 0.00 0.00 42.46 39.84 3jww s ILE 81 CO 0.20 0.06 0.38 0.42 0.00 0.00 0.00 174.94 176.00 3jww s THR 82 N -1.31 -0.00 -0.22 2.92 -4.23 0.04 -4.96 115.64 107.88 3jww s THR 82 Ca 0.22 0.01 -0.16 0.00 -1.18 0.00 0.00 61.69 60.57 3jww s THR 82 Cb -0.10 -0.54 -0.04 0.00 1.34 0.00 0.00 72.50 73.16 3jww s THR 82 CO 0.13 0.00 0.42 -0.31 -0.54 0.00 0.00 174.62 174.33 3jww s TYR 83 N 0.29 3.34 -0.02 3.99 1.51 -1.26 0.24 117.35 125.44 3jww s TYR 83 Ca -0.01 0.59 -0.30 0.00 -1.01 0.00 0.00 57.07 56.35 3jww s TYR 83 Cb -0.03 -2.57 -0.07 0.00 -0.11 0.00 0.00 41.96 39.18 3jww s TYR 83 CO -0.00 -0.09 1.78 0.34 -1.11 0.00 0.00 175.55 176.46 3jww s ASP 84 N 1.23 6.58 0.00 2.29 -1.08 -0.84 -4.85 116.67 120.00 3jww s ASP 84 Ca 0.19 2.41 0.02 0.00 -0.52 0.00 0.00 52.55 54.66 3jww s ASP 84 Cb -0.15 -2.53 -0.00 0.00 -1.46 0.00 0.00 42.92 38.77 3jww s ASP 84 CO 0.09 -0.98 0.34 0.35 0.52 0.00 0.00 175.17 175.49 3jww n THR 85 N 5.50 0.00 0.14 1.71 -2.24 0.50 -4.27 114.28 115.61 3jww n THR 85 Ca 0.18 -0.47 -0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3jww n THR 85 Cb 0.42 1.03 0.27 0.00 -2.10 0.00 0.00 70.33 69.95 3jww n THR 85 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jww h LEU 86 N 0.25 0.12 -0.18 3.22 5.85 -1.71 -3.23 115.31 119.64 3jww h LEU 86 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3jww h LEU 86 Cb 0.08 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3jww h LEU 86 CO 0.00 0.53 0.00 0.00 -0.34 0.00 0.00 178.44 178.63 3jww h ALA 88 N 2.55 0.50 0.00 0.00 0.00 -1.90 -0.93 119.26 119.49 3jww h ALA 88 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3jww h ALA 88 Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3jww h ALA 88 CO 0.00 -0.14 0.00 1.04 0.00 0.00 0.00 179.25 180.15 3jww n GLN 89 N -4.91 0.00 -2.09 0.00 1.13 -0.02 -4.71 117.38 106.79 3jww n GLN 89 Ca 0.02 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.66 3jww n GLN 89 Cb 0.09 -1.25 -0.03 0.00 0.11 0.00 0.00 30.24 29.16 3jww n GLN 89 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3jww s SER 90 N -1.86 6.74 0.00 1.08 0.15 -0.36 -4.87 113.70 114.59 3jww s SER 90 Ca 0.00 2.43 0.01 0.00 0.70 0.00 0.00 55.95 59.09 3jww s SER 90 Cb 0.00 -2.59 0.01 0.00 -1.71 0.00 0.00 66.02 61.73 3jww s SER 90 CO 0.00 -0.71 0.59 0.00 1.20 0.00 0.00 173.24 174.32 3jww n GLN 91 N 3.92 -0.37 -3.69 5.44 1.13 -1.23 -4.96 117.38 117.62 3jww n GLN 91 Ca 0.12 -0.68 -0.25 0.00 -1.94 0.00 0.00 57.00 54.25 3jww n GLN 91 Cb 0.41 -1.02 -0.17 0.00 0.11 0.00 0.00 30.24 29.57 3jww n GLN 91 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3jww s GLN 92 N -0.20 0.33 0.54 -1.09 -1.52 -1.26 -5.14 119.66 111.32 3jww s GLN 92 Ca 0.01 -0.05 -0.21 0.00 -1.95 0.00 0.00 55.36 53.16 3jww s GLN 92 Cb 0.01 -1.48 -0.05 0.00 -0.22 0.00 0.00 33.01 31.27 3jww s GLN 92 CO 0.01 -0.52 1.28 -0.51 -0.25 0.00 0.00 175.29 175.30 3jww s ASP 93 N 2.03 5.43 0.00 5.90 1.01 -1.26 -4.21 116.67 125.56 3jww s ASP 93 Ca 0.02 2.58 0.00 0.00 0.71 0.00 0.00 52.55 55.86 3jww s ASP 93 Cb -0.15 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.16 3jww s ASP 93 CO -0.07 -1.45 0.00 0.61 0.21 0.00 0.00 175.17 174.48 3jww n GLY 94 N 0.63 1.88 0.61 0.21 0.00 -1.26 -4.99 105.19 102.28 3jww n GLY 94 Ca 0.11 -2.02 0.12 0.00 0.00 0.00 0.00 46.02 44.22 3jww n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3jww n PRO 95 N 0.00 1.53 -3.12 1.61 -0.04 -1.26 -4.94 135.00 128.78 3jww n PRO 95 Ca 0.00 -1.23 -0.33 0.00 -0.04 0.00 0.00 63.50 61.90 3jww n PRO 95 Cb 0.00 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 31.92 3jww n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jww s THR 97 N -1.91 1.60 0.38 0.00 -4.23 -0.85 -4.97 115.64 105.67 3jww s THR 97 Ca 0.52 -2.11 0.14 0.00 -1.18 0.00 0.00 61.69 59.06 3jww s THR 97 Cb -0.11 -2.46 0.36 0.00 1.34 0.00 0.00 72.50 71.62 3jww s THR 97 CO 0.18 -0.29 1.83 -0.65 -0.54 0.00 0.00 174.62 175.15 3jww h PRO 98 N 2.28 0.50 -0.21 3.99 0.11 -2.03 -1.48 132.00 135.16 3jww h PRO 98 Ca -0.40 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 3jww h PRO 98 Cb 1.23 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3jww h PRO 98 CO 0.67 0.33 -0.22 -0.09 -0.21 0.00 0.00 178.00 178.48 3jww h ARG 99 N 0.52 0.39 -2.27 1.05 2.43 -2.02 -3.44 114.38 111.03 3jww h ARG 99 Ca 0.51 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.50 3jww h ARG 99 Cb 1.11 -0.03 -0.23 0.00 -0.42 0.00 0.00 29.97 30.39 3jww h ARG 99 CO -0.24 0.59 -0.08 -0.98 -1.51 0.00 0.00 179.97 177.75 3jww s ARG 100 N -4.54 0.62 0.11 0.20 3.03 -0.56 -5.13 118.95 112.69 3jww s ARG 100 Ca -0.06 0.98 -0.31 0.00 2.03 0.00 0.00 55.73 58.37 3jww s ARG 100 Cb 0.14 0.16 -0.09 0.00 -1.03 0.00 0.00 34.95 34.13 3jww s ARG 100 CO 0.77 -0.13 1.61 0.00 -1.13 0.00 0.00 175.30 176.41 3jww n LEU 102 N 4.82 1.98 -0.17 0.00 4.32 -1.26 -4.81 117.00 121.87 3jww n LEU 102 Ca 0.15 -1.53 0.15 0.00 -0.02 0.00 0.00 56.01 54.76 3jww n LEU 102 Cb 0.40 -0.06 0.26 0.00 -1.62 0.00 0.00 43.42 42.40 3jww n LEU 102 CO 0.62 0.47 0.47 0.61 -1.22 0.00 0.00 177.39 178.34 3jww n GLY 103 N 0.13 -0.33 0.28 -0.72 0.00 -1.26 -0.79 105.19 102.51 3jww n GLY 103 Ca 0.04 0.31 0.15 0.00 0.00 0.00 0.00 46.02 46.52 3jww n GLY 103 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jww n SER 104 N -3.57 0.88 -4.77 1.61 3.41 -1.26 -4.88 113.62 105.04 3jww n SER 104 Ca 0.16 -1.28 -0.38 0.00 -0.26 0.00 0.00 58.87 57.11 3jww n SER 104 Cb 0.60 -0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.54 3jww n SER 104 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3jww s LEU 105 N -2.01 4.11 0.10 1.04 1.43 0.03 -4.96 118.68 118.42 3jww s LEU 105 Ca 0.42 2.47 -0.12 0.00 -1.03 0.00 0.00 54.13 55.87 3jww s LEU 105 Cb 0.21 -4.07 -0.17 0.00 0.03 0.00 0.00 46.19 42.19 3jww s LEU 105 CO 0.35 -0.89 1.28 0.58 0.23 0.00 0.00 176.35 177.90 3jww h VAL 106 N 2.15 1.28 -3.51 -1.59 2.07 -1.90 -3.47 116.25 111.27 3jww h VAL 106 Ca -0.49 -2.07 -0.43 0.00 0.82 0.00 0.00 66.70 64.52 3jww h VAL 106 Cb 1.25 2.12 -0.18 0.00 -1.52 0.00 0.00 31.29 32.96 3jww h VAL 106 CO 0.61 0.65 -0.76 -0.76 0.02 0.00 0.00 177.57 177.33 3jww s LEU 107 N -8.29 2.42 0.75 2.57 1.43 -1.26 -5.13 118.68 111.17 3jww s LEU 107 Ca -0.10 -0.83 -0.14 0.00 -1.03 0.00 0.00 54.13 52.03 3jww s LEU 107 Cb 0.08 -0.58 0.05 0.00 0.03 0.00 0.00 46.19 45.77 3jww s LEU 107 CO 0.91 -0.14 1.17 -2.84 0.23 0.00 0.00 176.35 175.68 3jww s PRO 108 N -2.77 2.06 0.19 1.29 0.02 -1.26 -4.97 135.00 129.57 3jww s PRO 108 Ca 0.11 1.62 -0.11 0.00 0.02 0.00 0.00 61.00 62.64 3jww s PRO 108 Cb -0.05 -1.84 0.21 0.00 0.02 0.00 0.00 34.50 32.85 3jww s PRO 108 CO 0.03 -1.86 1.75 0.00 -0.33 0.00 0.00 177.00 176.59 3jww h ARG 109 N -0.57 0.37 0.00 5.54 3.08 -2.01 -3.54 114.38 117.25 3jww h ARG 109 Ca -0.46 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3jww h ARG 109 Cb 1.28 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3jww h ARG 109 CO 0.49 0.25 0.00 0.36 -1.07 0.00 0.00 179.97 180.00 3jww n LYS 110 N -5.00 0.00 0.00 0.04 0.00 -1.26 -5.29 118.16 106.65 3jww n LYS 110 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 3jww n LYS 110 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.26 3jww n LYS 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3jww n ALA 122 N -3.00 0.00 -0.35 0.58 0.00 -1.26 -5.02 120.51 111.46 3jww n ALA 122 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.71 3jww n ALA 122 Cb 0.00 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.02 3jww n ALA 122 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3jww h GLU 123 N 0.00 0.27 0.00 0.00 -0.00 -1.99 0.41 114.58 113.28 3jww h GLU 123 Ca 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.36 59.34 3jww h GLU 123 Cb 0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 28.75 28.69 3jww h GLU 123 CO 0.00 0.18 -0.10 0.37 -0.00 0.00 0.00 179.01 179.47 3jww h GLN 124 N 0.28 0.00 -1.05 1.06 4.15 -2.05 -3.20 115.11 114.31 3jww h GLN 124 Ca 0.65 0.00 0.32 0.00 0.77 0.00 0.00 58.65 60.38 3jww h GLN 124 Cb 1.83 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 29.39 3jww h GLN 124 CO -0.30 0.03 0.62 1.25 -1.93 0.00 0.00 178.83 178.50 3jww h LEU 125 N -1.00 0.50 -0.45 -2.39 5.85 -1.90 -0.96 115.31 114.95 3jww h LEU 125 Ca -0.00 0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3jww h LEU 125 Cb 0.12 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3jww h LEU 125 CO -0.00 -0.08 0.27 0.25 -0.34 0.00 0.00 178.44 178.54 3jww h LEU 126 N 0.34 0.44 0.08 2.25 5.85 -0.29 -1.00 115.31 122.97 3jww h LEU 126 Ca 0.71 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 59.18 3jww h LEU 126 Cb 1.70 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 3jww h LEU 126 CO -0.52 0.31 -1.20 0.77 -0.34 0.00 0.00 178.44 177.46 3jww h SER 127 N 0.54 0.25 -0.50 1.25 4.64 -1.20 0.39 113.55 118.92 3jww h SER 127 Ca 0.18 -0.28 0.06 0.00 -0.47 0.00 0.00 61.79 61.28 3jww h SER 127 Cb 0.01 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 61.96 3jww h SER 127 CO -0.08 1.22 0.20 1.56 -0.87 0.00 0.00 176.83 178.86 3jww h GLN 128 N 0.04 0.38 -0.03 4.77 4.20 -1.34 -0.32 115.11 122.81 3jww h GLN 128 Ca -0.11 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 3jww h GLN 128 Cb 1.91 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.60 3jww h GLN 128 CO 0.17 0.25 0.02 0.00 -0.67 0.00 0.00 178.83 178.59 3jww h ALA 129 N 1.32 0.04 -0.61 3.87 0.00 -1.07 -1.20 119.26 121.61 3jww h ALA 129 Ca 0.24 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.24 3jww h ALA 129 Cb 0.23 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.89 3jww h ALA 129 CO -0.22 -0.44 -0.20 0.00 0.00 0.00 0.00 179.25 178.38 3jww h ARG 130 N -0.01 -0.05 -0.29 0.00 3.08 -0.71 0.10 114.38 116.50 3jww h ARG 130 Ca 0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3jww h ARG 130 Cb 0.05 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3jww h ARG 130 CO -0.00 -0.03 0.04 0.22 -1.07 0.00 0.00 179.97 179.13 3jww h ASP 131 N -0.05 0.47 -0.48 7.04 3.58 -0.96 0.31 116.42 126.33 3jww h ASP 131 Ca 0.29 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 3jww h ASP 131 Cb 0.49 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 3jww h ASP 131 CO -0.65 0.62 0.20 0.15 -2.88 0.00 0.00 179.24 176.67 3jww h PHE 132 N 0.30 0.76 -0.12 0.28 3.57 -0.87 0.73 116.94 121.60 3jww h PHE 132 Ca 0.09 -0.04 -0.19 0.00 3.53 0.00 0.00 57.97 61.35 3jww h PHE 132 Cb 0.35 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 38.87 3jww h PHE 132 CO 0.02 0.60 -0.69 0.82 -2.23 0.00 0.00 178.31 176.84 3jww h ILE 133 N 0.75 1.32 -0.64 1.41 1.08 -0.28 -0.62 117.51 120.51 3jww h ILE 133 Ca 0.18 -1.94 0.11 0.00 -0.39 0.00 0.00 64.86 62.82 3jww h ILE 133 Cb 0.16 2.12 -0.08 0.00 -3.07 0.00 0.00 36.82 35.95 3jww h ILE 133 CO -0.02 0.60 0.21 0.78 -0.69 0.00 0.00 178.15 179.04 3jww h ASN 134 N 0.34 0.17 -0.28 1.72 2.35 -0.12 -1.67 115.58 118.09 3jww h ASN 134 Ca -0.05 0.10 0.06 0.00 -0.55 0.00 0.00 56.30 55.86 3jww h ASN 134 Cb 1.33 0.10 -0.07 0.00 0.05 0.00 0.00 38.32 39.73 3jww h ASN 134 CO 0.14 0.09 -0.16 1.56 -1.65 0.00 0.00 177.43 177.40 3jww h GLN 135 N 0.37 -0.13 -0.50 0.81 4.20 0.11 -3.00 115.11 116.97 3jww h GLN 135 Ca 0.34 0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.94 3jww h GLN 135 Cb 0.47 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3jww h GLN 135 CO -0.36 -0.09 -0.16 -0.92 -0.67 0.00 0.00 178.83 176.63 3jww h TYR 136 N -0.13 1.11 0.00 2.96 3.20 -0.39 -1.65 116.97 122.07 3jww h TYR 136 Ca 0.15 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.77 3jww h TYR 136 Cb 0.36 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.36 3jww h TYR 136 CO -0.35 1.07 0.00 1.88 -1.64 0.00 0.00 178.16 179.12 3jww h TYR 137 N 0.84 0.00 0.13 -3.82 -1.99 -1.33 -2.59 116.97 108.21 3jww h TYR 137 Ca 0.12 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.64 3jww h TYR 137 Cb 0.73 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.47 3jww h TYR 137 CO 0.05 0.00 -0.99 0.77 -0.00 0.00 0.00 178.16 177.99 3jww h SER 138 N 0.00 0.43 -0.96 3.88 0.02 -1.20 0.47 113.55 116.19 3jww h SER 138 Ca 0.00 -0.92 0.30 0.00 -0.84 0.00 0.00 61.79 60.33 3jww h SER 138 Cb 0.35 -0.14 -0.15 0.00 0.14 0.00 0.00 62.40 62.60 3jww h SER 138 CO 0.00 1.46 0.44 0.77 -1.14 0.00 0.00 176.83 178.36 3jww h SER 139 N -0.37 0.31 -0.60 3.07 4.64 -0.95 0.32 113.55 119.97 3jww h SER 139 Ca -0.19 0.20 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 3jww h SER 139 Cb 1.67 0.20 -0.09 0.00 -0.31 0.00 0.00 62.40 63.86 3jww h SER 139 CO 0.12 -0.16 0.16 2.30 -0.87 0.00 0.00 176.83 178.38 3jww n ILE 140 N -5.13 2.78 -1.45 0.95 -5.35 -1.10 -4.93 119.36 105.12 3jww n ILE 140 Ca 0.28 -1.76 -0.16 0.00 -0.27 0.00 0.00 62.75 60.84 3jww n ILE 140 Cb 0.89 -0.33 -0.07 0.00 -1.74 0.00 0.00 39.64 38.40 3jww n ILE 140 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jww n LYS 141 N -0.22 -1.52 -0.36 6.28 4.76 0.11 -4.83 118.16 122.37 3jww n LYS 141 Ca 0.35 1.03 0.09 0.00 -2.87 0.00 0.00 58.31 56.91 3jww n LYS 141 Cb 1.25 -5.38 0.27 0.00 -1.84 0.00 0.00 35.03 29.33 3jww n LYS 141 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3jww n ARG 142 N -1.73 2.99 -1.43 1.97 5.12 0.10 -4.98 116.66 118.70 3jww n ARG 142 Ca -0.16 -2.52 -0.40 0.00 -1.93 0.00 0.00 57.85 52.84 3jww n ARG 142 Cb 0.61 -1.55 0.02 0.00 -1.16 0.00 0.00 32.46 30.38 3jww n ARG 142 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3jww n SER 143 N 1.05 -1.35 -1.39 0.55 7.64 0.12 -3.13 113.62 117.12 3jww n SER 143 Ca 0.20 0.80 -0.17 0.00 1.01 0.00 0.00 58.87 60.71 3jww n SER 143 Cb 0.63 -1.10 -0.06 0.00 -1.01 0.00 0.00 64.21 62.66 3jww n SER 143 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jww n GLY 144 N 1.89 1.44 3.88 0.23 0.00 -1.26 -4.99 105.19 106.37 3jww n GLY 144 Ca 0.11 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 3jww n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jww s SER 145 N -2.75 4.62 0.05 1.61 1.04 -1.18 -5.00 113.70 112.09 3jww s SER 145 Ca 0.00 -1.21 -0.24 0.00 0.48 0.00 0.00 55.95 54.98 3jww s SER 145 Cb 0.00 0.26 -0.17 0.00 0.10 0.00 0.00 66.02 66.21 3jww s SER 145 CO 0.00 -1.00 1.58 1.56 0.98 0.00 0.00 173.24 176.36 3jww h GLN 146 N 0.87 -0.01 -0.08 4.02 1.08 -1.94 -1.87 115.11 117.18 3jww h GLN 146 Ca -0.38 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 56.84 3jww h GLN 146 Cb 1.30 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.73 3jww h GLN 146 CO 0.59 0.15 0.09 0.00 -0.95 0.00 0.00 178.83 178.72 3jww h ALA 147 N 0.81 1.67 0.02 3.87 0.00 -1.97 -2.42 119.26 121.24 3jww h ALA 147 Ca -0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3jww h ALA 147 Cb 0.17 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3jww h ALA 147 CO 0.00 -0.14 -0.41 1.25 0.00 0.00 0.00 179.25 179.96 3jww h HIS 148 N 0.00 0.36 -0.58 0.00 -0.00 -1.65 -2.90 115.15 110.38 3jww h HIS 148 Ca 0.04 -0.21 -0.00 0.00 -0.00 0.00 0.00 60.37 60.19 3jww h HIS 148 Cb 0.22 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.57 3jww h HIS 148 CO 0.00 1.06 0.34 0.93 -0.00 0.00 0.00 177.93 180.27 3jww h GLU 149 N -0.44 0.79 0.00 5.26 4.39 -1.01 -0.76 114.58 122.81 3jww h GLU 149 Ca -0.06 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.57 3jww h GLU 149 Cb 1.19 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 3jww h GLU 149 CO 0.08 0.57 0.00 0.39 -1.16 0.00 0.00 179.01 178.89 3jww n GLU 150 N -4.63 0.03 -0.04 2.33 1.02 -0.95 -0.33 120.64 118.09 3jww n GLU 150 Ca 0.04 0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.20 3jww n GLU 150 Cb 0.06 -1.55 -0.14 0.00 -0.02 0.00 0.00 31.44 29.79 3jww n GLU 150 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3jww n ARG 151 N -1.61 0.67 -0.13 3.49 3.00 -0.95 -2.83 116.66 118.30 3jww n ARG 151 Ca 0.05 0.22 -0.06 0.00 -0.00 0.00 0.00 57.85 58.07 3jww n ARG 151 Cb 0.27 -1.71 0.12 0.00 0.00 0.00 0.00 32.46 31.15 3jww n ARG 151 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3jww h LEU 152 N 0.02 0.83 -0.38 6.15 3.38 -0.22 -2.68 115.31 122.40 3jww h LEU 152 Ca -0.38 -0.22 -0.17 0.00 0.09 0.00 0.00 57.88 57.20 3jww h LEU 152 Cb 2.05 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.58 3jww h LEU 152 CO 0.06 0.91 -0.42 1.56 0.09 0.00 0.00 178.44 180.64 3jww h GLN 153 N 0.79 0.92 -0.68 1.13 4.20 -0.83 -1.90 115.11 118.74 3jww h GLN 153 Ca 0.14 -0.50 0.09 0.00 0.06 0.00 0.00 58.65 58.44 3jww h GLN 153 Cb 0.51 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.25 3jww h GLN 153 CO 0.03 1.15 0.32 0.93 -0.67 0.00 0.00 178.83 180.59 3jww h GLU 154 N 0.74 0.53 0.17 1.46 5.08 -1.35 0.51 114.58 121.72 3jww h GLU 154 Ca 0.05 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3jww h GLU 154 Cb 1.02 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3jww h GLU 154 CO 0.10 0.35 -0.08 0.28 -1.00 0.00 0.00 179.01 178.66 3jww h VAL 155 N 0.55 0.89 -0.91 3.13 2.07 -1.46 -0.65 116.25 119.86 3jww h VAL 155 Ca 0.34 -1.02 0.24 0.00 0.82 0.00 0.00 66.70 67.07 3jww h VAL 155 Cb 0.37 1.44 -0.16 0.00 -1.52 0.00 0.00 31.29 31.41 3jww h VAL 155 CO -0.28 0.21 0.04 -0.33 0.02 0.00 0.00 177.57 177.24 3jww h GLU 156 N -0.79 0.06 -0.32 1.57 4.39 -1.09 -0.02 114.58 118.38 3jww h GLU 156 Ca -0.02 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 3jww h GLU 156 Cb 0.52 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 3jww h GLU 156 CO 0.04 0.04 -0.00 0.00 -1.16 0.00 0.00 179.01 177.92 3jww h ALA 157 N 1.88 0.43 -0.28 3.43 0.00 -0.74 -2.15 119.26 121.84 3jww h ALA 157 Ca 0.54 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 3jww h ALA 157 Cb 1.07 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3jww h ALA 157 CO -0.82 0.19 -0.37 1.49 0.00 0.00 0.00 179.25 179.74 3jww h GLU 158 N 0.37 0.74 -0.32 0.00 4.81 0.54 -2.91 114.58 117.81 3jww h GLU 158 Ca 0.09 -0.43 -0.10 0.00 -0.13 0.00 0.00 59.36 58.80 3jww h GLU 158 Cb 0.45 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3jww h GLU 158 CO 0.02 1.05 -0.21 0.28 -0.73 0.00 0.00 179.01 179.42 3jww h VAL 159 N 0.48 1.26 0.00 0.32 2.07 -0.57 -0.78 116.25 119.03 3jww h VAL 159 Ca 0.03 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.30 3jww h VAL 159 Cb 0.96 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3jww h VAL 159 CO 0.09 0.41 0.00 0.00 0.02 0.00 0.00 177.57 178.09 3jww h ALA 160 N 1.23 1.00 0.00 1.67 0.00 -1.25 0.02 119.26 121.94 3jww h ALA 160 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 3jww h ALA 160 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3jww h ALA 160 CO 0.05 0.00 -1.69 0.43 0.00 0.00 0.00 179.25 178.04 3jww n SER 161 N -2.68 2.90 0.00 0.00 7.64 -1.02 -4.74 113.62 115.72 3jww n SER 161 Ca 0.00 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.84 3jww n SER 161 Cb 0.20 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 3jww n SER 161 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3jww n THR 162 N -2.69 0.00 -1.38 0.44 -2.24 -0.33 -5.02 114.28 103.06 3jww n THR 162 Ca -0.20 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 60.99 3jww n THR 162 Cb 0.76 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.96 3jww n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jww n GLY 163 N 0.68 1.38 2.37 3.38 0.00 -0.01 -4.95 105.19 108.05 3jww n GLY 163 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 46.02 45.58 3jww n GLY 163 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3jww n THR 164 N -2.61 0.00 -3.89 2.61 5.66 -1.26 -4.83 114.28 109.96 3jww n THR 164 Ca -0.13 -0.55 -0.11 0.00 -3.05 0.00 0.00 64.05 60.20 3jww n THR 164 Cb 0.44 0.59 -0.01 0.00 -1.55 0.00 0.00 70.33 69.80 3jww n THR 164 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3jww n TYR 165 N -0.37 -1.63 -4.12 1.09 4.11 -1.26 -2.11 117.16 112.87 3jww n TYR 165 Ca -0.05 -1.92 -0.16 0.00 -0.00 0.00 0.00 57.90 55.78 3jww n TYR 165 Cb 0.37 0.60 -0.12 0.00 -0.00 0.00 0.00 39.34 40.19 3jww n TYR 165 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 3jww s HIS 166 N -3.13 0.95 0.22 -3.48 3.76 -1.26 -5.07 115.29 107.28 3jww s HIS 166 Ca 0.22 -0.48 -0.10 0.00 -0.15 0.00 0.00 55.06 54.55 3jww s HIS 166 Cb -0.02 -0.55 -0.07 0.00 1.11 0.00 0.00 32.58 33.05 3jww s HIS 166 CO 0.16 -0.01 0.54 -0.51 -0.85 0.00 0.00 174.74 174.07 3jww s LEU 167 N -1.68 4.18 0.43 0.89 1.43 -1.26 -5.08 118.68 117.60 3jww s LEU 167 Ca -0.06 0.91 -0.20 0.00 -1.03 0.00 0.00 54.13 53.75 3jww s LEU 167 Cb -0.10 -3.65 -0.11 0.00 0.03 0.00 0.00 46.19 42.37 3jww s LEU 167 CO 0.01 -0.06 0.95 -0.13 0.23 0.00 0.00 176.35 177.35 3jww s ARG 168 N -2.77 4.19 0.27 1.70 1.81 -1.26 -4.84 118.95 118.05 3jww s ARG 168 Ca 0.47 1.09 -0.02 0.00 -1.72 0.00 0.00 55.73 55.55 3jww s ARG 168 Cb -0.11 -2.18 0.59 0.00 -0.45 0.00 0.00 34.95 32.79 3jww s ARG 168 CO 0.21 -0.05 1.64 1.49 -0.68 0.00 0.00 175.30 177.91 3jww h GLU 169 N 1.82 0.15 -0.37 3.54 4.81 -1.98 0.17 114.58 122.72 3jww h GLU 169 Ca -0.49 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 58.62 3jww h GLU 169 Cb 1.18 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 3jww h GLU 169 CO 0.61 0.10 -0.23 0.66 -0.73 0.00 0.00 179.01 179.42 3jww h SER 170 N 0.15 0.74 -0.07 1.04 4.64 -1.99 -1.30 113.55 116.76 3jww h SER 170 Ca 0.49 -0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 3jww h SER 170 Cb 0.95 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3jww h SER 170 CO -0.68 0.95 -0.00 -0.33 -0.87 0.00 0.00 176.83 175.89 3jww h GLU 171 N 0.63 0.12 -0.82 4.77 5.08 -1.64 -1.46 114.58 121.26 3jww h GLU 171 Ca 0.09 -0.04 0.20 0.00 -1.00 0.00 0.00 59.36 58.60 3jww h GLU 171 Cb 0.73 -0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.83 3jww h GLU 171 CO 0.06 0.41 0.05 1.25 -1.00 0.00 0.00 179.01 179.78 3jww h LEU 172 N -0.18 -0.31 -0.73 1.33 5.85 -0.68 -0.05 115.31 120.55 3jww h LEU 172 Ca 0.02 0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 3jww h LEU 172 Cb 0.36 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 3jww h LEU 172 CO 0.00 -0.20 -0.07 0.58 -0.34 0.00 0.00 178.44 178.41 3jww h VAL 173 N 0.11 1.26 -0.06 1.05 2.07 -0.74 -1.78 116.25 118.17 3jww h VAL 173 Ca 0.47 -1.17 -0.17 0.00 0.82 0.00 0.00 66.70 66.65 3jww h VAL 173 Cb 0.87 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3jww h VAL 173 CO -0.71 0.41 -0.71 0.15 0.02 0.00 0.00 177.57 176.73 3jww h PHE 174 N 0.82 0.39 -0.15 1.57 3.57 -0.63 -3.09 116.94 119.42 3jww h PHE 174 Ca 0.14 -0.17 0.02 0.00 3.53 0.00 0.00 57.97 61.49 3jww h PHE 174 Cb 0.58 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3jww h PHE 174 CO 0.03 0.90 0.03 0.78 -2.23 0.00 0.00 178.31 177.83 3jww h GLY 175 N 1.50 0.16 0.98 2.40 0.00 -0.43 -2.45 103.07 105.22 3jww h GLY 175 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 3jww h GLY 175 CO 0.11 0.00 0.14 0.00 0.00 0.00 0.00 176.54 176.80 3jww h ALA 176 N 1.10 0.66 0.00 3.60 0.00 -1.36 0.49 119.26 123.75 3jww h ALA 176 Ca 0.06 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3jww h ALA 176 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3jww h ALA 176 CO -0.08 0.34 -0.31 0.87 0.00 0.00 0.00 179.25 180.07 3jww h LYS 177 N 0.69 0.00 0.08 0.00 1.57 -1.50 -2.62 116.57 114.80 3jww h LYS 177 Ca 0.16 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.78 3jww h LYS 177 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3jww h LYS 177 CO -0.00 0.31 -0.79 0.37 -0.57 0.00 0.00 179.45 178.77 3jww h GLN 178 N 0.00 0.17 -1.32 3.15 5.75 -1.01 0.44 115.11 122.30 3jww h GLN 178 Ca -0.00 -0.29 0.45 0.00 -0.15 0.00 0.00 58.65 58.66 3jww h GLN 178 Cb 0.63 0.11 -0.14 0.00 1.07 0.00 0.00 27.48 29.15 3jww h GLN 178 CO 0.04 1.14 0.83 0.00 -2.65 0.00 0.00 178.83 178.19 3jww h ALA 179 N -0.04 2.72 0.02 3.38 0.00 -0.61 0.47 119.26 125.20 3jww h ALA 179 Ca -0.17 0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 3jww h ALA 179 Cb 1.46 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 3jww h ALA 179 CO 0.05 -1.40 -0.89 2.35 0.00 0.00 0.00 179.25 179.36 3jww h TRP 180 N 0.04 0.09 -0.99 0.00 7.01 -1.34 -3.12 115.95 117.64 3jww h TRP 180 Ca 0.86 -0.07 0.35 0.00 2.11 0.00 0.00 58.89 62.14 3jww h TRP 180 Cb 2.66 -0.00 -0.18 0.00 -2.10 0.00 0.00 29.16 29.54 3jww h TRP 180 CO -0.01 1.35 0.35 -0.09 -2.79 0.00 0.00 178.44 177.25 3jww h ARG 181 N -0.86 0.04 -0.00 2.65 2.43 0.27 -0.86 114.38 118.05 3jww h ARG 181 Ca -0.23 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3jww h ARG 181 Cb 1.30 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3jww h ARG 181 CO -0.09 0.02 -0.05 0.09 -1.51 0.00 0.00 179.97 178.43 3jww n ASN 182 N -5.32 0.17 -4.56 -3.80 3.02 0.15 -4.86 115.26 100.06 3jww n ASN 182 Ca 0.32 -0.26 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 3jww n ASN 182 Cb 1.05 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.99 3jww n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jww s ALA 183 N -2.57 2.65 -0.32 5.41 0.00 -0.33 -4.76 121.76 121.84 3jww s ALA 183 Ca 0.27 -1.00 0.27 0.00 0.00 0.00 0.00 51.96 51.50 3jww s ALA 183 Cb 0.20 -4.22 0.92 0.00 0.00 0.00 0.00 23.12 20.02 3jww s ALA 183 CO 0.48 -3.30 1.79 -1.35 0.00 0.00 0.00 175.76 173.37 3jww h PRO 184 N 11.37 0.00 -0.02 0.00 0.11 -1.89 -1.70 132.00 139.87 3jww h PRO 184 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3jww h PRO 184 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3jww h PRO 184 CO 1.24 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.57 3jww n ARG 185 N -2.75 1.19 -3.20 1.05 1.74 -1.26 -2.22 116.66 111.20 3jww n ARG 185 Ca 0.03 -0.28 -0.40 0.00 -0.77 0.00 0.00 57.85 56.43 3jww n ARG 185 Cb 0.37 -1.42 -0.07 0.00 -1.02 0.00 0.00 32.46 30.31 3jww n ARG 185 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jww n VAL 187 N 5.25 0.08 -0.58 0.00 3.14 -1.26 -4.19 118.33 120.77 3jww n VAL 187 Ca -0.03 -0.04 0.10 0.00 -2.96 0.00 0.00 64.34 61.40 3jww n VAL 187 Cb 0.49 -0.40 0.35 0.00 -1.06 0.00 0.00 33.84 33.23 3jww n VAL 187 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3jww n GLY 188 N 1.47 2.73 0.00 7.55 0.00 -1.26 -4.50 105.19 111.18 3jww n GLY 188 Ca 0.07 -0.85 0.10 0.00 0.00 0.00 0.00 46.02 45.34 3jww n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jww n ARG 189 N 1.21 0.35 -0.15 1.61 1.74 -1.26 -1.98 116.66 118.18 3jww n ARG 189 Ca 0.26 0.08 0.19 0.00 -0.77 0.00 0.00 57.85 57.60 3jww n ARG 189 Cb 0.85 -1.50 0.57 0.00 -1.02 0.00 0.00 32.46 31.36 3jww n ARG 189 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jww h ILE 190 N 0.00 0.73 0.00 0.55 6.09 -1.86 -2.00 117.51 121.02 3jww h ILE 190 Ca 0.00 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.39 3jww h ILE 190 Cb 0.14 0.43 0.00 0.00 0.47 0.00 0.00 36.82 37.86 3jww h ILE 190 CO 0.00 0.05 0.00 0.00 -3.07 0.00 0.00 178.15 175.13 3jww n GLN 191 N -4.44 0.97 0.30 2.19 1.13 -0.84 -4.53 117.38 112.16 3jww n GLN 191 Ca 0.15 0.00 0.19 0.00 -1.94 0.00 0.00 57.00 55.40 3jww n GLN 191 Cb 0.63 -1.50 0.89 0.00 0.11 0.00 0.00 30.24 30.37 3jww n GLN 191 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jww h TRP 192 N 0.00 0.00 -0.00 1.08 5.08 -1.58 -1.13 115.95 119.40 3jww h TRP 192 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3jww h TRP 192 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3jww h TRP 192 CO 0.00 0.01 -0.02 0.41 -1.28 0.00 0.00 178.44 177.56 3jww n GLY 193 N -0.44 -1.12 2.75 11.11 0.00 -1.26 -4.47 105.19 111.77 3jww n GLY 193 Ca -0.01 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 3jww n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3jww s LYS 194 N -2.38 1.92 -0.06 1.61 2.47 -0.43 -5.04 119.74 117.83 3jww s LYS 194 Ca 0.34 -2.86 -0.02 0.00 -1.56 0.00 0.00 55.97 51.88 3jww s LYS 194 Cb 0.21 -2.79 0.03 0.00 -1.46 0.00 0.00 37.83 33.82 3jww s LYS 194 CO 0.43 -1.29 0.04 -1.17 0.16 0.00 0.00 175.35 173.52 3jww s LEU 195 N -0.83 0.36 0.09 5.43 2.96 -1.26 -4.68 118.68 120.75 3jww s LEU 195 Ca 0.26 -0.03 -0.30 0.00 -0.22 0.00 0.00 54.13 53.83 3jww s LEU 195 Cb -0.05 -0.28 -0.06 0.00 0.50 0.00 0.00 46.19 46.29 3jww s LEU 195 CO -0.15 -0.23 1.19 -1.58 -1.32 0.00 0.00 176.35 174.26 3jww s GLN 196 N 2.08 4.45 -0.26 1.98 2.00 -1.11 -4.97 119.66 123.84 3jww s GLN 196 Ca 0.05 1.78 0.01 0.00 -2.00 0.00 0.00 55.36 55.20 3jww s GLN 196 Cb -0.12 -3.33 0.07 0.00 0.80 0.00 0.00 33.01 30.43 3jww s GLN 196 CO -0.04 -0.21 -0.02 0.08 -0.50 0.00 0.00 175.29 174.60 3jww s VAL 197 N 0.80 1.55 -0.27 1.34 1.01 -1.26 -0.93 120.40 122.63 3jww s VAL 197 Ca 0.57 -1.38 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 3jww s VAL 197 Cb -0.30 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 3jww s VAL 197 CO 0.31 -0.23 0.61 -0.36 0.00 0.00 0.00 175.10 175.43 3jww s PHE 198 N 1.36 3.26 -0.55 5.22 0.08 0.37 -5.00 117.98 122.72 3jww s PHE 198 Ca -0.02 0.71 -0.27 0.00 0.12 0.00 0.00 56.93 57.47 3jww s PHE 198 Cb -0.19 -2.87 0.03 0.00 -0.57 0.00 0.00 43.02 39.42 3jww s PHE 198 CO -0.08 -0.37 1.09 0.34 -0.10 0.00 0.00 175.22 176.10 3jww s ASP 199 N 1.54 6.44 -0.29 1.36 -1.08 -1.26 -1.07 116.67 122.31 3jww s ASP 199 Ca 0.25 0.02 0.08 0.00 -0.52 0.00 0.00 52.55 52.38 3jww s ASP 199 Cb -0.15 -2.51 0.46 0.00 -1.46 0.00 0.00 42.92 39.25 3jww s ASP 199 CO 0.10 -1.35 1.30 0.00 0.52 0.00 0.00 175.17 175.74 3jww n ALA 200 N 7.99 4.59 1.17 3.66 0.00 -0.79 -4.71 120.51 132.42 3jww n ALA 200 Ca 0.07 -3.52 0.14 0.00 0.00 0.00 0.00 53.44 50.13 3jww n ALA 200 Cb 0.49 -0.50 0.57 0.00 0.00 0.00 0.00 19.45 20.01 3jww n ALA 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jww n ARG 201 N -0.92 0.23 -2.92 0.00 1.74 -1.15 -3.78 116.66 109.86 3jww n ARG 201 Ca 0.36 -0.06 -0.43 0.00 -0.77 0.00 0.00 57.85 56.96 3jww n ARG 201 Cb 0.88 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.83 3jww n ARG 201 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3jww n ASP 202 N -1.34 6.27 -3.88 0.55 5.75 -1.26 -4.58 116.55 118.05 3jww n ASP 202 Ca 0.10 -3.38 -0.22 0.00 -0.01 0.00 0.00 54.79 51.28 3jww n ASP 202 Cb 0.31 -1.30 -0.17 0.00 -1.03 0.00 0.00 41.12 38.93 3jww n ASP 202 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3jww n SER 204 N 4.31 0.98 -3.78 0.00 3.41 -1.26 -4.85 113.62 112.43 3jww n SER 204 Ca -0.20 -1.18 -0.13 0.00 -0.26 0.00 0.00 58.87 57.10 3jww n SER 204 Cb 0.51 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 3jww n SER 204 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3jww s SER 205 N -0.18 -0.21 0.21 4.04 1.04 -1.26 -4.96 113.70 112.38 3jww s SER 205 Ca 0.00 0.24 -0.15 0.00 0.48 0.00 0.00 55.95 56.52 3jww s SER 205 Cb 0.00 0.41 0.23 0.00 0.10 0.00 0.00 66.02 66.76 3jww s SER 205 CO 0.00 -0.32 1.61 0.00 0.98 0.00 0.00 173.24 175.51 3jww h ALA 206 N 4.56 0.31 -0.95 5.32 0.00 -1.91 -0.66 119.26 125.92 3jww h ALA 206 Ca -0.29 0.24 0.19 0.00 0.00 0.00 0.00 54.91 55.05 3jww h ALA 206 Cb 1.18 0.59 -0.18 0.00 0.00 0.00 0.00 17.79 19.39 3jww h ALA 206 CO 0.37 -0.49 -0.25 1.04 0.00 0.00 0.00 179.25 179.92 3jww n GLN 207 N -5.45 -0.10 -0.13 0.00 1.13 -1.26 -0.60 117.38 110.96 3jww n GLN 207 Ca 0.07 1.48 -0.11 0.00 -1.94 0.00 0.00 57.00 56.50 3jww n GLN 207 Cb 0.35 -2.21 -0.02 0.00 0.11 0.00 0.00 30.24 28.47 3jww n GLN 207 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3jww h GLU 208 N 0.00 0.74 -0.70 -1.09 5.08 -1.55 -2.43 114.58 114.63 3jww h GLU 208 Ca 0.44 -0.28 0.11 0.00 -1.00 0.00 0.00 59.36 58.63 3jww h GLU 208 Cb 0.68 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.81 3jww h GLU 208 CO -0.98 0.88 0.31 0.52 -1.00 0.00 0.00 179.01 178.74 3jww h MET 209 N 0.54 0.49 -0.35 2.33 2.86 -0.57 -0.59 114.93 119.66 3jww h MET 209 Ca 0.10 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.78 3jww h MET 209 Cb 0.61 -0.11 -0.07 0.00 0.06 0.00 0.00 31.60 32.08 3jww h MET 209 CO 0.04 0.33 -0.13 0.35 1.06 0.00 0.00 176.91 178.55 3jww h PHE 210 N 0.51 -0.31 -0.29 -0.22 3.57 -0.36 0.56 116.94 120.40 3jww h PHE 210 Ca 0.36 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.93 3jww h PHE 210 Cb 0.46 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 3jww h PHE 210 CO -0.14 -0.21 0.11 1.15 -2.23 0.00 0.00 178.31 177.00 3jww h THR 211 N -0.07 0.94 -0.25 4.41 2.02 -1.27 0.29 112.91 118.98 3jww h THR 211 Ca 0.17 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.27 3jww h THR 211 Cb 0.33 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3jww h THR 211 CO -0.39 0.04 0.16 1.88 0.37 0.00 0.00 175.52 177.58 3jww h TYR 212 N 0.24 0.31 -0.83 3.16 0.05 -0.60 -0.75 116.97 118.56 3jww h TYR 212 Ca 0.13 0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.97 3jww h TYR 212 Cb 0.08 -0.10 -0.06 0.00 1.01 0.00 0.00 36.73 37.66 3jww h TYR 212 CO -0.12 0.19 0.51 0.82 -1.05 0.00 0.00 178.16 178.50 3jww h ILE 213 N 0.33 1.03 -0.32 -2.88 2.04 0.62 -1.60 117.51 116.73 3jww h ILE 213 Ca 0.09 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 3jww h ILE 213 Cb -0.03 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.06 3jww h ILE 213 CO -0.03 0.17 0.04 0.00 0.00 0.00 0.00 178.15 178.33 3jww h ASN 215 N 0.36 0.58 -0.07 0.00 2.35 -0.83 -1.29 115.58 116.68 3jww h ASN 215 Ca 0.10 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 3jww h ASN 215 Cb 0.36 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 3jww h ASN 215 CO 0.01 0.36 -0.09 -0.74 -1.65 0.00 0.00 177.43 175.32 3jww h HIS 216 N 0.71 -0.22 0.04 1.19 -0.00 -1.04 0.37 115.15 116.20 3jww h HIS 216 Ca 0.34 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.74 3jww h HIS 216 Cb 0.26 0.11 -0.05 0.00 -0.00 0.00 0.00 27.41 27.73 3jww h HIS 216 CO -0.08 -0.14 -0.49 0.82 -0.00 0.00 0.00 177.93 178.04 3jww h ILE 217 N -0.12 0.06 -0.81 6.26 2.04 -0.92 0.18 117.51 124.19 3jww h ILE 217 Ca 0.06 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.06 3jww h ILE 217 Cb 0.20 0.06 -0.09 0.00 -0.74 0.00 0.00 36.82 36.25 3jww h ILE 217 CO -0.14 0.00 0.39 0.11 0.00 0.00 0.00 178.15 178.51 3jww h LYS 218 N -0.66 0.54 0.19 2.37 1.57 -0.64 -0.93 116.57 119.01 3jww h LYS 218 Ca 0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3jww h LYS 218 Cb 0.71 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3jww h LYS 218 CO -0.32 0.36 -0.09 -0.92 -0.57 0.00 0.00 179.45 177.91 3jww h TYR 219 N 0.56 -0.24 0.00 -1.35 3.20 0.10 -2.82 116.97 116.42 3jww h TYR 219 Ca 0.45 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.26 3jww h TYR 219 Cb 0.64 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 3jww h TYR 219 CO -0.12 0.11 -0.25 0.00 -1.64 0.00 0.00 178.16 176.26 3jww h ALA 220 N 0.05 1.26 0.17 1.82 0.00 -0.09 -2.90 119.26 119.57 3jww h ALA 220 Ca -0.03 -0.23 -0.26 0.00 0.00 0.00 0.00 54.91 54.40 3jww h ALA 220 Cb 0.46 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.23 3jww h ALA 220 CO 0.04 0.32 -1.20 1.15 0.00 0.00 0.00 179.25 179.56 3jww h THR 221 N 0.00 1.29 -6.80 0.00 2.02 -1.26 -0.19 112.91 107.97 3jww h THR 221 Ca -0.00 -2.54 -0.56 0.00 0.77 0.00 0.00 66.41 64.08 3jww h THR 221 Cb 0.57 3.01 -0.13 0.00 -1.74 0.00 0.00 68.15 69.86 3jww h THR 221 CO 0.03 0.75 -0.93 -3.20 0.37 0.00 0.00 175.52 172.54 3jww n ASN 222 N -3.94 0.09 0.00 4.18 4.05 -1.06 0.05 115.26 118.63 3jww n ASN 222 Ca -0.18 -1.15 0.00 0.00 0.45 0.00 0.00 54.58 53.69 3jww n ASN 222 Cb 0.93 -2.28 0.00 0.00 1.23 0.00 0.00 39.78 39.66 3jww n ASN 222 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3jww n ARG 223 N -4.51 0.00 0.00 1.20 3.00 -1.26 -1.57 116.66 113.52 3jww n ARG 223 Ca -0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.53 3jww n ARG 223 Cb 0.69 -3.15 0.00 0.00 0.00 0.00 0.00 32.46 29.99 3jww n ARG 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3jww n GLY 224 N -2.00 0.63 3.22 -0.13 0.00 0.11 -4.97 105.19 102.06 3jww n GLY 224 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3jww n GLY 224 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jww n ASN 225 N 0.00 5.45 -4.69 1.61 5.15 -0.61 -2.32 115.26 119.86 3jww n ASN 225 Ca 0.00 -3.09 -0.42 0.00 -0.60 0.00 0.00 54.58 50.47 3jww n ASN 225 Cb 0.00 -1.46 -0.00 0.00 -0.53 0.00 0.00 39.78 37.79 3jww n ASN 225 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3jww n LEU 226 N 3.84 3.60 -3.92 1.20 4.32 -1.25 -4.50 117.00 120.30 3jww n LEU 226 Ca 0.33 1.18 -0.21 0.00 -0.02 0.00 0.00 56.01 57.29 3jww n LEU 226 Cb 0.39 -1.48 -0.16 0.00 -1.62 0.00 0.00 43.42 40.54 3jww n LEU 226 CO 0.65 -0.57 -0.42 -0.13 -1.22 0.00 0.00 177.39 175.70 3jww s ARG 227 N -1.96 1.03 0.29 3.23 0.52 -0.08 -4.99 118.95 116.99 3jww s ARG 227 Ca 0.57 -0.18 -0.29 0.00 -0.52 0.00 0.00 55.73 55.31 3jww s ARG 227 Cb -0.56 -0.97 -0.13 0.00 0.52 0.00 0.00 34.95 33.81 3jww s ARG 227 CO 0.61 -0.06 1.21 0.43 0.02 0.00 0.00 175.30 177.51 3jww n SER 228 N 3.99 2.14 -3.65 0.23 7.64 -1.26 -4.50 113.62 118.21 3jww n SER 228 Ca -0.24 1.18 -0.15 0.00 1.01 0.00 0.00 58.87 60.66 3jww n SER 228 Cb 0.51 -1.38 -0.07 0.00 -1.01 0.00 0.00 64.21 62.25 3jww n SER 228 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3jww s ALA 229 N -0.80 -1.22 0.02 -0.43 0.00 -0.66 -2.74 121.76 115.93 3jww s ALA 229 Ca 0.60 0.76 0.04 0.00 0.00 0.00 0.00 51.96 53.36 3jww s ALA 229 Cb -0.65 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 3jww s ALA 229 CO 0.58 -0.31 -0.12 -1.50 0.00 0.00 0.00 175.76 174.41 3jww s ILE 230 N -1.27 0.93 -0.17 0.00 2.07 -0.10 -1.12 121.20 121.54 3jww s ILE 230 Ca -0.12 -0.74 0.00 0.00 -1.41 0.00 0.00 60.65 58.38 3jww s ILE 230 Cb -0.03 -0.82 0.01 0.00 0.13 0.00 0.00 42.46 41.74 3jww s ILE 230 CO 0.07 0.09 -0.16 -0.89 -1.91 0.00 0.00 174.94 172.13 3jww s THR 231 N -0.59 2.47 -0.46 4.00 2.01 -0.77 -0.47 115.64 121.82 3jww s THR 231 Ca 0.02 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.08 3jww s THR 231 Cb -0.06 -2.05 0.09 0.00 0.01 0.00 0.00 72.50 70.49 3jww s THR 231 CO 0.00 0.51 0.35 -0.69 -0.69 0.00 0.00 174.62 174.10 3jww s VAL 232 N 1.09 4.70 1.05 3.82 1.01 -0.23 -2.86 120.40 128.97 3jww s VAL 232 Ca -0.00 -1.33 -0.17 0.00 0.00 0.00 0.00 61.98 60.47 3jww s VAL 232 Cb -0.14 -3.89 0.23 0.00 0.00 0.00 0.00 36.38 32.57 3jww s VAL 232 CO -0.05 -0.60 1.23 -0.36 0.00 0.00 0.00 175.10 175.31 3jww s PHE 233 N 1.51 1.27 0.34 5.22 0.08 -0.52 -1.88 117.98 124.00 3jww s PHE 233 Ca 0.04 0.43 -0.28 0.00 0.12 0.00 0.00 56.93 57.23 3jww s PHE 233 Cb -0.25 -3.81 -0.10 0.00 -0.57 0.00 0.00 43.02 38.29 3jww s PHE 233 CO 0.03 -3.08 1.30 -2.14 -0.10 0.00 0.00 175.22 171.24 3jww s PRO 234 N -5.66 4.33 0.79 0.24 0.02 -1.25 -4.70 135.00 128.77 3jww s PRO 234 Ca 0.72 2.20 -0.14 0.00 0.02 0.00 0.00 61.00 63.80 3jww s PRO 234 Cb -0.07 -3.05 0.07 0.00 0.02 0.00 0.00 34.50 31.48 3jww s PRO 234 CO 0.54 -0.20 1.22 0.00 -0.33 0.00 0.00 177.00 178.23 3jww n GLN 235 N 0.75 0.28 -1.37 5.54 10.64 -1.26 -4.57 117.38 127.39 3jww n GLN 235 Ca 0.00 0.17 -0.48 0.00 -1.83 0.00 0.00 57.00 54.86 3jww n GLN 235 Cb 0.42 -2.45 -0.04 0.00 -0.86 0.00 0.00 30.24 27.31 3jww n GLN 235 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3jww n ARG 236 N -3.15 0.00 -3.97 2.61 5.12 -0.74 -4.90 116.66 111.63 3jww n ARG 236 Ca 0.14 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.90 3jww n ARG 236 Cb 0.50 -1.05 -0.15 0.00 -1.16 0.00 0.00 32.46 30.60 3jww n ARG 236 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3jww s ALA 237 N -0.79 0.26 0.24 7.54 0.00 -1.26 -4.82 121.76 122.93 3jww s ALA 237 Ca 0.66 0.03 -0.12 0.00 0.00 0.00 0.00 51.96 52.54 3jww s ALA 237 Cb -0.96 -0.19 0.33 0.00 0.00 0.00 0.00 23.12 22.31 3jww s ALA 237 CO 0.54 -0.01 1.45 -2.30 0.00 0.00 0.00 175.76 175.45 3jww n PRO 238 N 3.58 -0.15 0.30 0.00 -0.02 -1.26 -1.97 135.00 135.47 3jww n PRO 238 Ca -0.20 1.45 0.15 0.00 -2.02 0.00 0.00 63.50 62.88 3jww n PRO 238 Cb 0.55 -2.15 0.91 0.00 -0.02 0.00 0.00 33.50 32.79 3jww n PRO 238 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3jww h GLY 239 N 0.00 0.00 -2.30 -1.23 0.00 -2.03 -3.48 103.07 94.03 3jww h GLY 239 Ca 0.39 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.66 3jww h GLY 239 CO -0.94 0.00 -0.13 1.09 0.00 0.00 0.00 176.54 176.56 3jww s ARG 240 N -4.49 1.51 1.05 4.80 1.04 -0.83 -5.15 118.95 116.87 3jww s ARG 240 Ca -0.05 -1.23 -0.14 0.00 -1.04 0.00 0.00 55.73 53.28 3jww s ARG 240 Cb 0.14 0.47 0.13 0.00 -2.04 0.00 0.00 34.95 33.65 3jww s ARG 240 CO 0.54 -0.62 0.52 0.41 -0.04 0.00 0.00 175.30 176.11 3jww n GLY 241 N -0.37 -1.92 3.89 3.88 0.00 -1.26 -4.57 105.19 104.84 3jww n GLY 241 Ca -0.02 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 3jww n GLY 241 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jww s ASP 242 N -2.14 6.48 0.09 1.61 1.01 -1.26 -4.58 116.67 117.88 3jww s ASP 242 Ca 0.61 0.53 -0.31 0.00 0.71 0.00 0.00 52.55 54.09 3jww s ASP 242 Cb -0.19 -2.08 -0.08 0.00 1.01 0.00 0.00 42.92 41.58 3jww s ASP 242 CO 0.65 0.25 1.50 -0.36 0.21 0.00 0.00 175.17 177.42 3jww s PHE 243 N -1.32 2.90 -0.09 4.23 0.40 -1.26 -3.88 117.98 118.97 3jww s PHE 243 Ca 0.28 0.68 -0.08 0.00 -0.60 0.00 0.00 56.93 57.22 3jww s PHE 243 Cb -0.13 -3.81 0.02 0.00 0.51 0.00 0.00 43.02 39.62 3jww s PHE 243 CO 0.17 -3.02 0.23 1.03 0.70 0.00 0.00 175.22 174.33 3jww s ARG 244 N 1.80 0.26 -0.24 0.44 1.81 -0.47 -3.32 118.95 119.23 3jww s ARG 244 Ca 0.68 0.33 -0.14 0.00 -1.72 0.00 0.00 55.73 54.87 3jww s ARG 244 Cb -0.38 0.12 -0.04 0.00 -0.45 0.00 0.00 34.95 34.20 3jww s ARG 244 CO 0.30 -0.04 0.34 0.42 -0.68 0.00 0.00 175.30 175.65 3jww s ILE 245 N 0.18 5.22 0.28 1.52 1.01 -1.26 -1.74 121.20 126.41 3jww s ILE 245 Ca -0.00 0.55 0.04 0.00 0.00 0.00 0.00 60.65 61.24 3jww s ILE 245 Cb -0.02 -3.67 0.04 0.00 0.01 0.00 0.00 42.46 38.81 3jww s ILE 245 CO -0.00 0.22 1.69 -0.50 0.00 0.00 0.00 174.94 176.35 3jww h TRP 246 N 7.78 0.41 -4.09 3.97 4.06 -1.68 -3.41 115.95 123.00 3jww h TRP 246 Ca -0.34 -0.11 -0.53 0.00 2.06 0.00 0.00 58.89 59.97 3jww h TRP 246 Cb 1.16 -0.09 0.12 0.00 -1.00 0.00 0.00 29.16 29.35 3jww h TRP 246 CO 0.71 0.68 0.49 -0.80 -3.56 0.00 0.00 178.44 175.97 3jww s ASN 247 N -6.86 5.21 0.10 -3.49 -0.87 -1.26 -4.94 114.94 102.82 3jww s ASN 247 Ca -0.06 2.46 0.12 0.00 -1.57 0.00 0.00 52.86 53.81 3jww s ASN 247 Cb 0.13 -2.61 -0.15 0.00 -0.02 0.00 0.00 41.25 38.61 3jww s ASN 247 CO 0.79 -1.59 1.06 0.77 -2.57 0.00 0.00 177.10 175.56 3jww h SER 248 N 1.01 0.00 -4.45 -1.22 4.64 -1.91 -3.21 113.55 108.40 3jww h SER 248 Ca -0.50 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.50 3jww h SER 248 Cb 1.30 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.21 3jww h SER 248 CO 0.55 0.82 -0.73 -1.10 -0.87 0.00 0.00 176.83 175.51 3jww s GLN 249 N -2.77 0.80 0.49 4.77 -0.21 -1.26 -2.19 119.66 119.30 3jww s GLN 249 Ca -0.01 -1.11 0.20 0.00 0.02 0.00 0.00 55.36 54.47 3jww s GLN 249 Cb 0.09 -0.50 1.26 0.00 1.00 0.00 0.00 33.01 34.85 3jww s GLN 249 CO 0.81 0.08 2.06 -0.07 -2.12 0.00 0.00 175.29 176.04 3jww h LEU 250 N 3.69 0.00 -7.57 2.90 3.38 -0.55 -3.39 115.31 113.77 3jww h LEU 250 Ca -0.37 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.16 3jww h LEU 250 Cb 1.19 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.57 3jww h LEU 250 CO 0.51 0.13 -0.77 -0.69 0.09 0.00 0.00 178.44 177.71 3jww s VAL 251 N -4.52 0.47 -0.09 1.22 1.01 -1.26 -4.95 120.40 112.28 3jww s VAL 251 Ca -0.04 0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.76 3jww s VAL 251 Cb 0.15 -0.57 0.05 0.00 0.00 0.00 0.00 36.38 36.00 3jww s VAL 251 CO 0.64 0.25 0.48 -0.13 0.00 0.00 0.00 175.10 176.35 3jww s ARG 252 N 1.62 0.74 0.47 2.72 1.81 -1.26 -4.80 118.95 120.26 3jww s ARG 252 Ca -0.00 0.27 -0.03 0.00 -1.72 0.00 0.00 55.73 54.25 3jww s ARG 252 Cb -0.13 0.35 -0.02 0.00 -0.45 0.00 0.00 34.95 34.70 3jww s ARG 252 CO -0.04 -0.18 0.74 0.71 -0.68 0.00 0.00 175.30 175.85 3jww s TYR 253 N -0.69 3.44 0.43 -0.53 2.02 -1.26 -2.17 117.35 118.60 3jww s TYR 253 Ca -0.08 0.59 0.06 0.00 -0.37 0.00 0.00 57.07 57.28 3jww s TYR 253 Cb -0.03 -2.30 0.01 0.00 -0.40 0.00 0.00 41.96 39.24 3jww s TYR 253 CO 0.04 -0.31 0.60 0.00 -1.57 0.00 0.00 175.55 174.31 3jww s ALA 254 N -2.67 4.36 -0.40 3.71 0.00 0.04 -4.63 121.76 122.17 3jww s ALA 254 Ca 0.47 -1.57 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 3jww s ALA 254 Cb -0.10 -1.73 0.11 0.00 0.00 0.00 0.00 23.12 21.40 3jww s ALA 254 CO 0.42 -0.33 0.17 0.20 0.00 0.00 0.00 175.76 176.22 3jww s GLY 255 N -4.34 1.98 -0.26 0.00 0.00 -1.19 0.15 107.32 103.66 3jww s GLY 255 Ca 0.54 -2.52 -0.11 0.00 0.00 0.00 0.00 44.72 42.63 3jww s GLY 255 CO 0.34 1.01 0.20 -0.19 0.00 0.00 0.00 173.10 174.45 3jww s TYR 256 N 1.11 3.26 0.36 1.90 2.02 0.19 -4.55 117.35 121.63 3jww s TYR 256 Ca 0.08 0.19 -0.26 0.00 -0.37 0.00 0.00 57.07 56.72 3jww s TYR 256 Cb -0.22 -2.36 -0.09 0.00 -0.40 0.00 0.00 41.96 38.89 3jww s TYR 256 CO -0.05 -0.08 1.06 1.03 -1.57 0.00 0.00 175.55 175.94 3jww s ARG 257 N 1.52 4.32 0.19 -0.62 0.52 -1.26 -1.74 118.95 121.87 3jww s ARG 257 Ca 0.08 1.59 0.08 0.00 -0.52 0.00 0.00 55.73 56.95 3jww s ARG 257 Cb -0.15 -2.74 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 3jww s ARG 257 CO 0.09 -0.02 0.00 -0.65 0.02 0.00 0.00 175.30 174.74 3jww s GLN 258 N -2.17 2.39 0.08 3.54 -1.52 0.86 -4.88 119.66 117.95 3jww s GLN 258 Ca 0.54 -1.16 -0.12 0.00 -1.95 0.00 0.00 55.36 52.66 3jww s GLN 258 Cb -0.25 -2.32 0.00 0.00 -0.22 0.00 0.00 33.01 30.22 3jww s GLN 258 CO 0.31 0.44 0.68 1.04 -0.25 0.00 0.00 175.29 177.51 3jww n GLN 259 N -0.28 -0.17 0.00 2.91 1.13 -1.26 -0.10 117.38 119.61 3jww n GLN 259 Ca -0.09 0.67 0.00 0.00 -1.94 0.00 0.00 57.00 55.64 3jww n GLN 259 Cb 0.56 -0.98 0.00 0.00 0.11 0.00 0.00 30.24 29.92 3jww n GLN 259 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3jww n ASP 260 N -4.57 1.03 0.00 1.08 5.75 -1.26 -4.83 116.55 113.74 3jww n ASP 260 Ca 0.02 -1.30 0.00 0.00 -0.01 0.00 0.00 54.79 53.49 3jww n ASP 260 Cb 0.13 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 3jww n ASP 260 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3jww n GLY 261 N 0.32 0.00 3.68 6.12 0.00 0.85 -4.92 105.19 111.23 3jww n GLY 261 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3jww n GLY 261 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jww n SER 262 N 0.00 3.77 -4.50 1.61 3.41 -1.26 -4.75 113.62 111.89 3jww n SER 262 Ca 0.00 0.97 -0.42 0.00 -0.26 0.00 0.00 58.87 59.16 3jww n SER 262 Cb 0.00 -1.46 -0.03 0.00 -0.26 0.00 0.00 64.21 62.45 3jww n SER 262 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3jww s VAL 263 N 3.51 4.20 0.42 -3.33 1.01 -1.26 -0.10 120.40 124.84 3jww s VAL 263 Ca 0.87 -0.68 -0.25 0.00 0.00 0.00 0.00 61.98 61.93 3jww s VAL 263 Cb -0.56 -4.87 -0.10 0.00 0.00 0.00 0.00 36.38 30.84 3jww s VAL 263 CO 0.44 -1.70 1.07 -1.14 0.00 0.00 0.00 175.10 173.77 3jww n ARG 264 N 8.07 1.47 0.00 2.72 3.00 -0.71 -4.73 116.66 126.47 3jww n ARG 264 Ca 0.17 0.53 0.00 0.00 -0.00 0.00 0.00 57.85 58.54 3jww n ARG 264 Cb 0.49 -2.11 0.00 0.00 0.00 0.00 0.00 32.46 30.84 3jww n ARG 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3jww n GLY 265 N 1.11 -0.04 3.58 5.14 0.00 -1.26 -0.64 105.19 113.08 3jww n GLY 265 Ca 0.09 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 3jww n GLY 265 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jww s ASP 266 N -4.00 6.35 0.34 1.61 -1.08 0.39 -4.87 116.67 115.42 3jww s ASP 266 Ca 0.00 0.19 0.04 0.00 -0.52 0.00 0.00 52.55 52.26 3jww s ASP 266 Cb 0.00 -2.27 0.62 0.00 -1.46 0.00 0.00 42.92 39.82 3jww s ASP 266 CO 0.00 -0.39 1.90 -0.65 0.52 0.00 0.00 175.17 176.55 3jww h PRO 267 N 8.29 0.56 0.00 4.34 0.11 -1.82 -2.98 132.00 140.49 3jww h PRO 267 Ca -0.29 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3jww h PRO 267 Cb 1.13 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3jww h PRO 267 CO 0.74 0.54 0.00 0.00 -0.21 0.00 0.00 178.00 179.07 3jww n ALA 268 N -2.48 1.48 -2.55 -0.75 0.00 -1.26 -3.45 120.51 111.51 3jww n ALA 268 Ca 0.02 -0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 3jww n ALA 268 Cb 0.21 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.57 3jww n ALA 268 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3jww n ASN 269 N -1.36 2.84 0.09 0.00 3.02 -1.13 -4.78 115.26 113.95 3jww n ASN 269 Ca 0.03 -2.89 -0.14 0.00 -0.03 0.00 0.00 54.58 51.56 3jww n ASN 269 Cb 0.07 -0.46 -0.11 0.00 -0.61 0.00 0.00 39.78 38.67 3jww n ASN 269 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jww h VAL 270 N 3.63 1.51 0.14 2.41 2.07 -1.73 -2.45 116.25 121.84 3jww h VAL 270 Ca 0.06 -2.98 -0.01 0.00 0.82 0.00 0.00 66.70 64.59 3jww h VAL 270 Cb 1.25 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.83 3jww h VAL 270 CO 0.51 0.87 -0.07 -0.08 0.02 0.00 0.00 177.57 178.82 3jww h GLU 271 N 0.09 -0.18 -0.84 1.57 4.81 -1.88 -2.27 114.58 115.89 3jww h GLU 271 Ca -0.10 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3jww h GLU 271 Cb 1.85 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 31.21 3jww h GLU 271 CO 0.18 0.19 0.53 0.97 -0.73 0.00 0.00 179.01 180.15 3jww h ILE 272 N -0.96 1.10 -0.76 2.32 6.09 -1.92 0.14 117.51 123.52 3jww h ILE 272 Ca -0.02 -0.35 0.15 0.00 -1.37 0.00 0.00 64.86 63.28 3jww h ILE 272 Cb 0.45 0.00 -0.10 0.00 0.47 0.00 0.00 36.82 37.64 3jww h ILE 272 CO 0.03 0.18 0.28 0.74 -3.07 0.00 0.00 178.15 176.31 3jww h THR 273 N 1.01 0.60 -0.36 2.19 2.02 -1.50 -0.77 112.91 116.11 3jww h THR 273 Ca 0.34 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 67.29 3jww h THR 273 Cb 0.06 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 3jww h THR 273 CO -0.13 0.07 -0.17 -0.33 0.37 0.00 0.00 175.52 175.32 3jww h GLU 274 N 0.39 0.75 -0.41 6.66 5.08 -0.19 -2.00 114.58 124.86 3jww h GLU 274 Ca 0.43 -0.33 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 3jww h GLU 274 Cb 0.69 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.85 3jww h GLU 274 CO -0.45 0.94 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.38 3jww h LEU 275 N 0.54 -0.29 -0.84 1.33 3.38 -0.80 0.28 115.31 118.92 3jww h LEU 275 Ca 0.08 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.23 3jww h LEU 275 Cb 0.72 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 3jww h LEU 275 CO 0.05 -0.10 0.50 0.00 0.09 0.00 0.00 178.44 178.99 3jww h ILE 277 N 0.89 1.26 0.00 0.00 2.04 -0.72 -2.15 117.51 118.84 3jww h ILE 277 Ca 0.38 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 3jww h ILE 277 Cb 0.24 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3jww h ILE 277 CO -0.20 0.42 -0.15 -0.61 0.00 0.00 0.00 178.15 177.61 3jww h GLN 278 N 0.81 0.00 -0.81 2.37 4.15 0.29 -2.85 115.11 119.08 3jww h GLN 278 Ca 0.14 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 59.01 3jww h GLN 278 Cb 0.60 0.00 -0.32 0.00 0.21 0.00 0.00 27.48 27.97 3jww h GLN 278 CO 0.04 0.15 0.04 0.72 -1.93 0.00 0.00 178.83 177.85 3jww n HIS 279 N -4.05 2.73 0.00 3.99 8.25 -0.64 -4.96 115.22 120.54 3jww n HIS 279 Ca -0.02 -2.45 0.00 0.00 -0.26 0.00 0.00 57.72 54.98 3jww n HIS 279 Cb 0.23 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 30.49 3jww n HIS 279 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3jww n GLY 280 N -0.88 2.56 3.72 -1.41 0.00 -1.07 -4.76 105.19 103.35 3jww n GLY 280 Ca 0.51 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 3jww n GLY 280 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3jww s TRP 281 N -2.52 3.44 0.22 1.61 -0.00 -0.83 -5.01 118.94 115.86 3jww s TRP 281 Ca 0.00 1.32 -0.30 0.00 -0.00 0.00 0.00 56.10 57.12 3jww s TRP 281 Cb 0.00 -3.41 -0.08 0.00 -0.00 0.00 0.00 33.47 29.97 3jww s TRP 281 CO 0.00 -1.24 1.02 0.99 -0.00 0.00 0.00 176.95 177.72 3jww s THR 282 N 0.94 3.92 0.30 5.86 2.01 -1.26 -4.55 115.64 122.86 3jww s THR 282 Ca 0.58 1.82 0.07 0.00 0.31 0.00 0.00 61.69 64.47 3jww s THR 282 Cb -0.30 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 3jww s THR 282 CO 0.30 0.39 0.29 -2.84 -0.69 0.00 0.00 174.62 172.07 3jww s PRO 283 N -0.94 2.90 0.00 4.92 0.02 -1.26 -5.07 135.00 135.57 3jww s PRO 283 Ca 0.44 -1.14 0.00 0.00 0.02 0.00 0.00 61.00 60.33 3jww s PRO 283 Cb -0.28 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.66 3jww s PRO 283 CO 0.35 0.22 0.00 0.41 -0.33 0.00 0.00 177.00 177.65 3jww n GLY 284 N -1.34 1.33 0.00 0.52 0.00 -1.26 -5.04 105.19 99.39 3jww n GLY 284 Ca -0.04 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.81 3jww n GLY 284 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3jww n ASN 285 N 0.00 0.00 -4.03 1.61 6.94 -1.26 -5.07 115.26 113.45 3jww n ASN 285 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 54.58 54.18 3jww n ASN 285 Cb 0.00 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.47 3jww n ASN 285 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3jww n GLY 286 N 0.00 -3.05 0.88 4.83 0.00 -1.26 -4.84 105.19 101.74 3jww n GLY 286 Ca 0.00 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.91 3jww n GLY 286 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jww n ARG 287 N 1.95 2.20 -0.65 1.61 1.74 -1.26 -4.45 116.66 117.81 3jww n ARG 287 Ca -0.02 -1.76 0.05 0.00 -0.77 0.00 0.00 57.85 55.35 3jww n ARG 287 Cb 0.73 -1.47 0.08 0.00 -1.02 0.00 0.00 32.46 30.78 3jww n ARG 287 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3jww n PHE 288 N 1.11 0.00 -2.13 -1.55 3.72 -1.26 -4.12 117.46 113.22 3jww n PHE 288 Ca 0.16 -0.67 -0.42 0.00 -0.05 0.00 0.00 57.45 56.47 3jww n PHE 288 Cb 0.54 -0.14 -0.03 0.00 -0.94 0.00 0.00 39.48 38.92 3jww n PHE 288 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3jww s ASP 289 N -2.16 6.78 -0.17 4.37 1.01 -1.26 -4.93 116.67 120.32 3jww s ASP 289 Ca 0.24 2.32 -0.23 0.00 0.71 0.00 0.00 52.55 55.59 3jww s ASP 289 Cb 0.24 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.56 3jww s ASP 289 CO -0.05 -0.71 0.70 -0.69 0.21 0.00 0.00 175.17 174.63 3jww s VAL 290 N 1.59 4.98 0.58 -1.27 1.01 -1.26 -0.78 120.40 125.24 3jww s VAL 290 Ca 0.66 1.36 -0.20 0.00 0.00 0.00 0.00 61.98 63.80 3jww s VAL 290 Cb -0.37 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 3jww s VAL 290 CO 0.30 0.11 1.26 -0.76 0.00 0.00 0.00 175.10 176.00 3jww s LEU 291 N 1.79 3.72 1.30 3.92 1.43 -0.92 -4.91 118.68 125.02 3jww s LEU 291 Ca 0.33 2.52 -0.20 0.00 -1.03 0.00 0.00 54.13 55.75 3jww s LEU 291 Cb -0.16 -4.50 0.32 0.00 0.03 0.00 0.00 46.19 41.89 3jww s LEU 291 CO 0.12 -1.61 1.00 -2.84 0.23 0.00 0.00 176.35 173.25 3jww s PRO 292 N -3.18 -2.02 -0.06 1.29 0.02 -1.26 -4.78 135.00 125.01 3jww s PRO 292 Ca 0.76 0.22 -0.03 0.00 0.02 0.00 0.00 61.00 61.97 3jww s PRO 292 Cb -0.34 -1.48 -0.04 0.00 0.02 0.00 0.00 34.50 32.66 3jww s PRO 292 CO 0.38 -4.30 0.09 -0.51 -0.33 0.00 0.00 177.00 172.33 3jww s LEU 293 N -7.45 4.00 -0.33 -5.54 1.43 0.90 -4.96 118.68 106.73 3jww s LEU 293 Ca 0.69 0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 54.03 3jww s LEU 293 Cb -0.15 -2.12 0.07 0.00 0.03 0.00 0.00 46.19 44.02 3jww s LEU 293 CO 0.59 0.34 0.06 -0.76 0.23 0.00 0.00 176.35 176.81 3jww s LEU 294 N -1.31 4.31 -0.10 1.79 1.43 -1.26 -0.13 118.68 123.41 3jww s LEU 294 Ca 0.18 -1.52 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 3jww s LEU 294 Cb -0.12 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 3jww s LEU 294 CO 0.08 -0.34 -0.11 -0.76 0.23 0.00 0.00 176.35 175.45 3jww s LEU 295 N 1.21 2.89 -0.16 1.79 1.43 -0.37 -1.82 118.68 123.65 3jww s LEU 295 Ca -0.01 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3jww s LEU 295 Cb -0.20 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.38 3jww s LEU 295 CO -0.02 0.24 -0.17 -1.58 0.23 0.00 0.00 176.35 175.05 3jww s GLN 296 N -0.11 3.12 0.32 1.70 0.74 -0.71 -0.64 119.66 124.08 3jww s GLN 296 Ca -0.00 -0.79 -0.03 0.00 0.05 0.00 0.00 55.36 54.59 3jww s GLN 296 Cb -0.14 -2.59 -0.04 0.00 1.10 0.00 0.00 33.01 31.34 3jww s GLN 296 CO 0.03 -0.06 0.56 0.00 -0.55 0.00 0.00 175.29 175.27 3jww s ALA 297 N 0.97 3.65 -0.05 1.58 0.00 -1.26 -1.37 121.76 125.29 3jww s ALA 297 Ca -0.03 -0.71 -0.40 0.00 0.00 0.00 0.00 51.96 50.82 3jww s ALA 297 Cb -0.15 -2.22 -0.19 0.00 0.00 0.00 0.00 23.12 20.56 3jww s ALA 297 CO -0.04 0.11 1.22 -2.30 0.00 0.00 0.00 175.76 174.76 3jww n PRO 298 N -1.34 0.31 -1.45 0.00 -0.02 -1.25 -1.80 135.00 129.46 3jww n PRO 298 Ca -0.03 0.11 -0.16 0.00 -2.02 0.00 0.00 63.50 61.41 3jww n PRO 298 Cb 0.55 -1.65 -0.07 0.00 -0.02 0.00 0.00 33.50 32.31 3jww n PRO 298 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3jww n ASP 299 N 2.19 -5.41 -4.43 2.55 8.00 -1.26 -4.82 116.55 113.36 3jww n ASP 299 Ca 0.21 0.39 -0.29 0.00 0.71 0.00 0.00 54.79 55.81 3jww n ASP 299 Cb 0.09 -4.42 -0.12 0.00 -0.02 0.00 0.00 41.12 36.65 3jww n ASP 299 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3jww s GLU 300 N -3.32 1.57 0.60 -1.24 0.41 -0.74 -5.06 118.70 110.92 3jww s GLU 300 Ca 0.00 -1.30 -0.18 0.00 -0.41 0.00 0.00 54.97 53.08 3jww s GLU 300 Cb 0.00 -1.98 -0.05 0.00 -1.78 0.00 0.00 34.13 30.32 3jww s GLU 300 CO 0.00 0.46 0.89 0.00 -0.49 0.00 0.00 175.26 176.11 3jww n ALA 301 N 0.78 -0.06 -1.78 5.21 0.00 -1.26 -4.56 120.51 118.85 3jww n ALA 301 Ca -0.16 -0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.91 3jww n ALA 301 Cb 0.53 -2.06 -0.02 0.00 0.00 0.00 0.00 19.45 17.90 3jww n ALA 301 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3jww s PRO 302 N -2.66 3.84 -0.02 0.00 0.04 -1.26 -4.71 135.00 130.23 3jww s PRO 302 Ca 0.75 1.65 -0.01 0.00 0.04 0.00 0.00 61.00 63.43 3jww s PRO 302 Cb -0.42 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 3jww s PRO 302 CO 0.48 -0.45 0.09 -1.21 0.04 0.00 0.00 177.00 175.95 3jww s GLU 303 N -2.73 3.13 -0.14 4.56 2.02 0.18 -4.84 118.70 120.88 3jww s GLU 303 Ca 0.63 -0.44 -0.21 0.00 0.02 0.00 0.00 54.97 54.97 3jww s GLU 303 Cb -0.25 -2.90 -0.03 0.00 0.10 0.00 0.00 34.13 31.04 3jww s GLU 303 CO 0.31 0.66 0.61 -1.17 0.02 0.00 0.00 175.26 175.69 3jww s LEU 304 N -1.67 4.23 -0.03 1.80 2.96 -1.26 -1.23 118.68 123.48 3jww s LEU 304 Ca 0.22 0.94 0.03 0.00 -0.22 0.00 0.00 54.13 55.11 3jww s LEU 304 Cb -0.12 -2.90 -0.00 0.00 0.50 0.00 0.00 46.19 43.67 3jww s LEU 304 CO 0.13 -0.15 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.53 3jww s PHE 305 N 1.22 1.22 -0.24 5.38 0.08 0.82 -4.98 117.98 121.49 3jww s PHE 305 Ca 0.31 -0.30 -0.09 0.00 0.12 0.00 0.00 56.93 56.97 3jww s PHE 305 Cb -0.16 -0.83 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 3jww s PHE 305 CO 0.13 -0.10 0.11 0.08 -0.10 0.00 0.00 175.22 175.34 3jww s VAL 306 N 0.01 4.84 0.17 -0.44 1.01 -1.26 -0.07 120.40 124.66 3jww s VAL 306 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.66 3jww s VAL 306 Cb -0.08 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.95 3jww s VAL 306 CO 0.01 0.35 1.49 -0.76 0.00 0.00 0.00 175.10 176.19 3jww s LEU 307 N 1.27 4.37 -0.10 3.92 1.43 -1.26 -4.95 118.68 123.36 3jww s LEU 307 Ca 0.06 2.56 -0.30 0.00 -1.03 0.00 0.00 54.13 55.42 3jww s LEU 307 Cb -0.14 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 3jww s LEU 307 CO 0.05 -0.75 1.37 -2.84 0.23 0.00 0.00 176.35 174.41 3jww s PRO 308 N 0.77 4.24 0.38 1.29 0.02 -1.26 -4.90 135.00 135.55 3jww s PRO 308 Ca 0.66 1.83 0.21 0.00 0.02 0.00 0.00 61.00 63.73 3jww s PRO 308 Cb -0.42 -3.76 1.26 0.00 0.02 0.00 0.00 34.50 31.61 3jww s PRO 308 CO 0.34 -0.69 1.64 -1.35 -0.33 0.00 0.00 177.00 176.61 3jww h PRO 309 N 8.36 0.17 0.00 5.54 0.11 -1.93 1.68 132.00 145.93 3jww h PRO 309 Ca -0.32 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 3jww h PRO 309 Cb 1.14 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3jww h PRO 309 CO 0.95 0.11 -0.07 1.05 -0.21 0.00 0.00 178.00 179.83 3jww h GLU 310 N 0.17 0.00 -0.09 1.05 9.09 -2.04 -3.25 114.58 119.52 3jww h GLU 310 Ca 0.78 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 60.14 3jww h GLU 310 Cb 2.09 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 29.19 3jww h GLU 310 CO -0.57 0.07 -0.14 -0.07 0.05 0.00 0.00 179.01 178.36 3jww h LEU 311 N 0.00 0.27 -8.32 3.06 3.38 0.22 -3.41 115.31 110.50 3jww h LEU 311 Ca -0.00 -0.53 -0.56 0.00 0.09 0.00 0.00 57.88 56.87 3jww h LEU 311 Cb 0.36 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 40.94 3jww h LEU 311 CO 0.01 0.75 0.96 -0.69 0.09 0.00 0.00 178.44 179.56 3jww s VAL 312 N -4.08 3.88 -0.04 1.22 1.01 -1.22 -4.87 120.40 116.29 3jww s VAL 312 Ca -0.15 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 3jww s VAL 312 Cb 0.04 -4.87 -0.06 0.00 0.00 0.00 0.00 36.38 31.48 3jww s VAL 312 CO 0.73 -1.77 1.71 -0.22 0.00 0.00 0.00 175.10 175.55 3jww s LEU 313 N 5.29 4.32 0.18 3.92 2.96 -1.26 -4.98 118.68 129.12 3jww s LEU 313 Ca 0.33 2.29 0.09 0.00 -0.22 0.00 0.00 54.13 56.62 3jww s LEU 313 Cb -0.10 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 3jww s LEU 313 CO 0.13 -0.96 -0.12 -1.61 -1.32 0.00 0.00 176.35 172.46 3jww s GLU 314 N 4.14 1.97 -0.39 1.98 2.02 -1.26 -0.78 118.70 126.38 3jww s GLU 314 Ca 0.76 -1.31 0.01 0.00 0.02 0.00 0.00 54.97 54.45 3jww s GLU 314 Cb -0.35 -2.11 0.11 0.00 0.10 0.00 0.00 34.13 31.89 3jww s GLU 314 CO 0.32 0.43 0.14 0.08 0.02 0.00 0.00 175.26 176.24 3jww s VAL 315 N -1.69 2.78 0.32 2.63 1.01 0.79 -4.94 120.40 121.30 3jww s VAL 315 Ca 0.24 -2.29 -0.29 0.00 0.00 0.00 0.00 61.98 59.64 3jww s VAL 315 Cb -0.09 -2.97 -0.11 0.00 0.00 0.00 0.00 36.38 33.22 3jww s VAL 315 CO 0.14 -0.66 1.48 -2.16 0.00 0.00 0.00 175.10 173.90 3jww s PRO 316 N 0.92 4.19 -0.08 2.72 0.04 -1.26 -2.32 135.00 139.21 3jww s PRO 316 Ca 0.10 2.45 -0.19 0.00 0.04 0.00 0.00 61.00 63.40 3jww s PRO 316 Cb -0.21 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 3jww s PRO 316 CO -0.06 -0.48 0.53 -0.51 0.04 0.00 0.00 177.00 176.53 3jww s LEU 317 N -1.20 4.32 0.34 -3.56 1.43 0.21 -4.88 118.68 115.35 3jww s LEU 317 Ca 0.57 0.95 0.06 0.00 -1.03 0.00 0.00 54.13 54.68 3jww s LEU 317 Cb -0.45 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 42.95 3jww s LEU 317 CO 0.53 0.02 0.31 -1.83 0.23 0.00 0.00 176.35 175.61 3jww s GLU 318 N 0.40 1.79 0.00 1.70 -1.05 -1.26 -4.43 118.70 115.85 3jww s GLU 318 Ca 0.29 -1.99 0.06 0.00 -0.15 0.00 0.00 54.97 53.18 3jww s GLU 318 Cb -0.16 0.34 -0.02 0.00 -0.44 0.00 0.00 34.13 33.85 3jww s GLU 318 CO 0.13 -0.68 -0.20 -1.58 0.95 0.00 0.00 175.26 173.89 3jww s HIS 319 N -3.36 1.74 0.42 4.83 5.65 -1.26 -4.41 115.29 118.89 3jww s HIS 319 Ca 0.39 -0.34 0.15 0.00 0.25 0.00 0.00 55.06 55.51 3jww s HIS 319 Cb 0.02 -1.09 1.03 0.00 -1.18 0.00 0.00 32.58 31.35 3jww s HIS 319 CO 0.27 0.01 1.91 -1.35 -0.65 0.00 0.00 174.74 174.93 3jww h PRO 320 N 5.40 0.44 0.00 2.88 0.10 -1.95 -3.35 132.00 135.53 3jww h PRO 320 Ca -0.39 -0.03 0.00 0.00 0.10 0.00 0.00 66.00 65.68 3jww h PRO 320 Cb 1.15 -0.10 0.00 0.00 0.10 0.00 0.00 31.00 32.15 3jww h PRO 320 CO 0.47 0.29 -0.75 0.25 0.10 0.00 0.00 178.00 178.36 3jww n THR 321 N -4.49 0.00 -2.83 -1.15 -2.24 -1.26 -4.96 114.28 97.34 3jww n THR 321 Ca 0.15 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.50 3jww n THR 321 Cb 0.53 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 3jww n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3jww s LEU 322 N -3.95 4.45 0.45 3.22 1.43 -1.26 -4.91 118.68 118.11 3jww s LEU 322 Ca 0.00 -1.34 0.25 0.00 -1.03 0.00 0.00 54.13 52.00 3jww s LEU 322 Cb 0.00 -2.43 1.26 0.00 0.03 0.00 0.00 46.19 45.05 3jww s LEU 322 CO 0.00 -1.35 1.77 1.05 0.23 0.00 0.00 176.35 178.06 3jww h GLU 323 N 9.38 0.24 0.00 1.70 -0.00 -1.93 -2.53 114.58 121.44 3jww h GLU 323 Ca -0.10 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.36 59.22 3jww h GLU 323 Cb 1.05 -0.05 -0.00 0.00 -0.00 0.00 0.00 28.75 29.74 3jww h GLU 323 CO 1.19 0.16 -0.13 0.11 -0.00 0.00 0.00 179.01 180.34 3jww h TRP 324 N 0.25 0.00 0.00 2.06 5.08 -1.96 -3.33 115.95 118.05 3jww h TRP 324 Ca 0.59 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.56 3jww h TRP 324 Cb 1.79 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.95 3jww h TRP 324 CO -0.00 0.13 0.12 0.35 -1.28 0.00 0.00 178.44 177.76 3jww h PHE 325 N 0.00 0.00 0.24 0.12 3.04 -1.84 -2.53 116.94 115.97 3jww h PHE 325 Ca -0.00 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 3jww h PHE 325 Cb 0.99 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.51 3jww h PHE 325 CO 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 178.31 176.17 3jww h ALA 326 N 1.75 -0.33 0.00 2.41 0.00 -1.77 -3.26 119.26 118.06 3jww h ALA 326 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3jww h ALA 326 Cb 0.25 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3jww h ALA 326 CO 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 179.25 178.95 3jww n ALA 327 N -2.75 0.00 0.00 0.00 0.00 -0.95 -1.72 120.51 115.08 3jww n ALA 327 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3jww n ALA 327 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 3jww n ALA 327 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3jww n LEU 328 N -2.36 0.00 -2.34 0.00 4.77 -1.23 -4.77 117.00 111.06 3jww n LEU 328 Ca 0.00 0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 55.91 3jww n LEU 328 Cb 0.00 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 3jww n LEU 328 CO 0.00 -0.07 -0.19 0.61 -1.33 0.00 0.00 177.39 176.41 3jww n GLY 329 N -1.07 -0.32 3.70 -0.72 0.00 -0.70 -4.95 105.19 101.13 3jww n GLY 329 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3jww n GLY 329 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jww s LEU 330 N -5.57 4.33 0.19 0.99 1.02 -1.25 -4.96 118.68 113.42 3jww s LEU 330 Ca 0.00 1.88 -0.05 0.00 0.02 0.00 0.00 54.13 55.98 3jww s LEU 330 Cb 0.00 -3.57 -0.03 0.00 0.02 0.00 0.00 46.19 42.62 3jww s LEU 330 CO 0.00 -0.49 0.22 0.00 0.02 0.00 0.00 176.35 176.10 3jww s ARG 331 N 1.55 1.21 -0.11 1.70 1.70 -1.26 0.68 118.95 124.41 3jww s ARG 331 Ca 0.57 -1.42 -0.30 0.00 -0.47 0.00 0.00 55.73 54.11 3jww s ARG 331 Cb -0.26 0.33 0.08 0.00 -0.57 0.00 0.00 34.95 34.53 3jww s ARG 331 CO 0.26 -0.42 0.77 -0.46 -1.08 0.00 0.00 175.30 174.36 3jww s TRP 332 N -4.07 -0.61 0.34 5.89 -0.11 -0.98 -4.90 118.94 114.50 3jww s TRP 332 Ca 0.28 1.13 -0.03 0.00 1.22 0.00 0.00 56.10 58.70 3jww s TRP 332 Cb 0.05 0.40 -0.04 0.00 -1.50 0.00 0.00 33.47 32.37 3jww s TRP 332 CO 0.07 -0.51 0.59 1.52 -4.62 0.00 0.00 176.95 174.00 3jww s TYR 333 N -0.90 3.50 -0.21 5.86 -0.85 -1.26 -0.15 117.35 123.34 3jww s TYR 333 Ca -0.07 0.58 0.18 0.00 -0.52 0.00 0.00 57.07 57.24 3jww s TYR 333 Cb -0.01 -2.07 0.07 0.00 0.38 0.00 0.00 41.96 40.32 3jww s TYR 333 CO 0.06 0.08 1.30 0.00 -1.52 0.00 0.00 175.55 175.48 3jww h ALA 334 N 1.14 0.71 -3.58 9.51 0.00 -1.32 -3.46 119.26 122.26 3jww h ALA 334 Ca -0.48 -0.40 -0.67 0.00 0.00 0.00 0.00 54.91 53.35 3jww h ALA 334 Cb 1.20 0.02 -0.35 0.00 0.00 0.00 0.00 17.79 18.66 3jww h ALA 334 CO 0.64 0.51 -0.76 -1.17 0.00 0.00 0.00 179.25 178.46 3jww s LEU 335 N -6.16 3.44 -0.46 0.00 2.96 -1.26 -4.54 118.68 112.66 3jww s LEU 335 Ca 0.03 -1.20 -0.25 0.00 -0.22 0.00 0.00 54.13 52.48 3jww s LEU 335 Cb 0.08 -1.62 0.03 0.00 0.50 0.00 0.00 46.19 45.17 3jww s LEU 335 CO 0.75 -0.19 0.92 -2.16 -1.32 0.00 0.00 176.35 174.36 3jww s PRO 336 N 1.21 3.55 -0.28 0.98 0.04 -1.26 -4.71 135.00 134.52 3jww s PRO 336 Ca -0.05 0.18 -0.01 0.00 0.04 0.00 0.00 61.00 61.16 3jww s PRO 336 Cb -0.19 -3.92 0.09 0.00 0.04 0.00 0.00 34.50 30.52 3jww s PRO 336 CO -0.04 -1.21 0.07 0.00 0.04 0.00 0.00 177.00 175.86 3jww s ALA 337 N 3.74 1.48 0.51 8.56 0.00 -1.26 -3.38 121.76 131.40 3jww s ALA 337 Ca 0.37 -1.44 -0.20 0.00 0.00 0.00 0.00 51.96 50.69 3jww s ALA 337 Cb -0.10 -1.51 -0.07 0.00 0.00 0.00 0.00 23.12 21.43 3jww s ALA 337 CO 0.26 -1.51 1.09 0.08 0.00 0.00 0.00 175.76 175.67 3jww s VAL 338 N 1.64 3.45 0.00 0.00 1.01 -0.73 0.20 120.40 125.97 3jww s VAL 338 Ca 0.06 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.95 3jww s VAL 338 Cb -0.17 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.83 3jww s VAL 338 CO -0.19 -0.18 0.00 -1.54 0.00 0.00 0.00 175.10 173.18 3jww n SER 339 N -1.09 0.00 -1.16 3.32 3.41 -0.93 -1.50 113.62 115.67 3jww n SER 339 Ca 0.10 -0.71 0.08 0.00 -0.26 0.00 0.00 58.87 58.08 3jww n SER 339 Cb 0.51 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.75 3jww n SER 339 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jww n ASN 340 N 0.00 4.18 -4.99 4.04 2.04 -1.21 -4.21 115.26 115.10 3jww n ASN 340 Ca 0.00 -2.65 -0.19 0.00 -0.44 0.00 0.00 54.58 51.31 3jww n ASN 340 Cb 0.18 -0.51 0.01 0.00 -2.53 0.00 0.00 39.78 36.93 3jww n ASN 340 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 3jww s MET 341 N -2.19 2.91 -0.08 -3.83 -1.94 -1.26 -4.38 119.30 108.53 3jww s MET 341 Ca 0.42 -1.04 0.03 0.00 -1.71 0.00 0.00 55.69 53.40 3jww s MET 341 Cb 0.30 -2.73 0.01 0.00 2.01 0.00 0.00 34.83 34.42 3jww s MET 341 CO 0.15 -0.21 -0.18 -1.17 -0.01 0.00 0.00 175.02 173.60 3jww s LEU 342 N -4.36 1.85 -0.23 -0.03 0.20 -0.25 -4.30 118.68 111.56 3jww s LEU 342 Ca 0.51 -0.42 -0.14 0.00 0.69 0.00 0.00 54.13 54.78 3jww s LEU 342 Cb -0.10 -1.09 -0.04 0.00 -0.43 0.00 0.00 46.19 44.53 3jww s LEU 342 CO 0.33 0.09 0.31 -0.22 -0.29 0.00 0.00 176.35 176.58 3jww s LEU 343 N 0.52 4.12 -0.13 -0.68 2.96 -0.32 -1.46 118.68 123.68 3jww s LEU 343 Ca -0.17 0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 54.06 3jww s LEU 343 Cb -0.17 -2.36 -0.02 0.00 0.50 0.00 0.00 46.19 44.14 3jww s LEU 343 CO 0.06 -0.05 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.28 3jww s GLU 344 N 1.36 3.45 -0.07 1.98 -6.30 -0.27 0.66 118.70 119.52 3jww s GLU 344 Ca 0.14 -0.57 -0.03 0.00 -2.50 0.00 0.00 54.97 52.01 3jww s GLU 344 Cb -0.15 -2.79 0.04 0.00 0.00 0.00 0.00 34.13 31.24 3jww s GLU 344 CO 0.07 0.30 0.16 0.42 0.02 0.00 0.00 175.26 176.23 3jww s ILE 345 N 0.17 -0.08 -0.61 -3.70 1.01 -0.44 -2.31 121.20 115.24 3jww s ILE 345 Ca -0.04 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.81 3jww s ILE 345 Cb -0.14 -0.26 0.00 0.00 0.01 0.00 0.00 42.46 42.06 3jww s ILE 345 CO 0.03 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.67 3jww n GLY 346 N 4.36 -0.10 0.24 6.18 0.00 -1.26 -0.69 105.19 113.91 3jww n GLY 346 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3jww n GLY 346 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jww n GLY 347 N -0.47 0.50 3.93 -0.02 0.00 -1.26 -2.98 105.19 104.89 3jww n GLY 347 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 3jww n GLY 347 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jww s LEU 348 N 0.00 3.92 -0.08 0.99 1.43 0.14 -4.99 118.68 120.08 3jww s LEU 348 Ca 0.00 0.60 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 3jww s LEU 348 Cb 0.00 -3.48 0.02 0.00 0.03 0.00 0.00 46.19 42.76 3jww s LEU 348 CO 0.00 -0.36 -0.10 -1.61 0.23 0.00 0.00 176.35 174.51 3jww s GLU 349 N -4.36 1.58 -0.48 1.70 2.02 -1.26 -1.33 118.70 116.58 3jww s GLU 349 Ca 0.42 -0.33 -0.03 0.00 0.02 0.00 0.00 54.97 55.05 3jww s GLU 349 Cb -0.10 -1.45 0.13 0.00 0.10 0.00 0.00 34.13 32.81 3jww s GLU 349 CO 0.38 -0.10 0.28 -0.06 0.02 0.00 0.00 175.26 175.78 3jww s PHE 350 N 1.10 3.53 0.08 1.61 0.40 0.21 -1.78 117.98 123.12 3jww s PHE 350 Ca -0.07 -2.50 0.28 0.00 -0.60 0.00 0.00 56.93 54.04 3jww s PHE 350 Cb -0.14 -3.22 1.06 0.00 0.51 0.00 0.00 43.02 41.22 3jww s PHE 350 CO -0.01 -0.93 1.88 0.66 0.70 0.00 0.00 175.22 177.51 3jww h SER 351 N 7.74 0.00 -3.26 1.36 4.64 -1.81 -0.83 113.55 121.39 3jww h SER 351 Ca -0.10 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.62 3jww h SER 351 Cb 1.02 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.71 3jww h SER 351 CO 0.71 0.12 -0.75 0.00 -0.87 0.00 0.00 176.83 176.04 3jww s ALA 352 N -3.63 1.81 -0.43 5.18 0.00 -1.21 -4.60 121.76 118.88 3jww s ALA 352 Ca 0.01 -1.84 0.08 0.00 0.00 0.00 0.00 51.96 50.21 3jww s ALA 352 Cb 0.09 -1.69 0.27 0.00 0.00 0.00 0.00 23.12 21.79 3jww s ALA 352 CO 0.60 -1.67 0.59 0.00 0.00 0.00 0.00 175.76 175.28 3jww n ALA 353 N 4.73 2.70 -1.77 0.00 0.00 -1.26 -1.44 120.51 123.48 3jww n ALA 353 Ca -0.01 -3.66 -0.40 0.00 0.00 0.00 0.00 53.44 49.37 3jww n ALA 353 Cb 0.42 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 3jww n ALA 353 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3jww s PRO 354 N -1.61 4.23 0.00 0.00 0.04 -1.13 -4.69 135.00 131.84 3jww s PRO 354 Ca 0.37 2.19 0.01 0.00 0.04 0.00 0.00 61.00 63.61 3jww s PRO 354 Cb 0.19 -2.96 -0.00 0.00 0.04 0.00 0.00 34.50 31.77 3jww s PRO 354 CO -0.09 -0.29 -0.02 -0.59 0.04 0.00 0.00 177.00 176.05 3jww s PHE 355 N -1.18 0.18 0.20 0.56 -0.12 -0.56 -1.85 117.98 115.20 3jww s PHE 355 Ca 0.51 -0.06 0.08 0.00 -0.05 0.00 0.00 56.93 57.42 3jww s PHE 355 Cb -0.39 -0.11 -0.05 0.00 -0.63 0.00 0.00 43.02 41.84 3jww s PHE 355 CO 0.52 -0.01 -0.16 -1.54 -0.05 0.00 0.00 175.22 173.97 3jww s SER 356 N -0.13 2.71 0.00 1.98 1.04 -0.27 -1.77 113.70 117.26 3jww s SER 356 Ca -0.00 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.45 3jww s SER 356 Cb -0.01 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.95 3jww s SER 356 CO -0.00 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.71 3jww n GLY 357 N -0.25 3.42 3.26 7.32 0.00 -1.22 -1.66 105.19 116.06 3jww n GLY 357 Ca -0.09 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 3jww n GLY 357 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jww s TRP 358 N 3.46 1.27 0.36 1.61 -2.14 -1.26 -4.54 118.94 117.70 3jww s TRP 358 Ca 0.00 -0.85 -0.25 0.00 2.66 0.00 0.00 56.10 57.66 3jww s TRP 358 Cb 0.00 -0.69 -0.09 0.00 -3.10 0.00 0.00 33.47 29.59 3jww s TRP 358 CO 0.00 -0.01 1.03 0.71 -2.66 0.00 0.00 176.95 176.02 3jww s TYR 359 N -3.43 3.43 -0.17 1.66 2.02 -1.26 -4.92 117.35 114.68 3jww s TYR 359 Ca 0.20 1.69 -0.15 0.00 -0.37 0.00 0.00 57.07 58.43 3jww s TYR 359 Cb 0.04 -3.10 -0.04 0.00 -0.40 0.00 0.00 41.96 38.46 3jww s TYR 359 CO 0.02 -0.40 0.37 1.41 -1.57 0.00 0.00 175.55 175.38 3jww s MET 360 N -2.20 4.24 0.58 -0.62 -2.45 -1.26 -1.71 119.30 115.89 3jww s MET 360 Ca 0.54 0.20 0.28 0.00 -1.25 0.00 0.00 55.69 55.46 3jww s MET 360 Cb -0.23 -3.47 1.56 0.00 1.25 0.00 0.00 34.83 33.95 3jww s MET 360 CO 0.29 0.12 2.03 0.66 1.05 0.00 0.00 175.02 179.16 3jww h SER 361 N 6.95 0.00 1.90 1.11 4.64 -1.04 -1.32 113.55 125.80 3jww h SER 361 Ca -0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.91 3jww h SER 361 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3jww h SER 361 CO 0.74 0.00 -0.07 0.71 -0.87 0.00 0.00 176.83 177.34 3jww h THR 362 N 0.00 0.12 -0.81 2.95 1.35 -1.95 -0.65 112.91 113.92 3jww h THR 362 Ca 0.14 -1.15 0.02 0.00 -0.55 0.00 0.00 66.41 64.87 3jww h THR 362 Cb 0.75 2.04 -0.04 0.00 -1.73 0.00 0.00 68.15 69.17 3jww h THR 362 CO -0.00 0.07 0.53 -0.33 -0.25 0.00 0.00 175.52 175.54 3jww h GLU 363 N 0.00 1.03 0.05 4.72 5.08 -1.65 -1.95 114.58 121.87 3jww h GLU 363 Ca -0.00 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 3jww h GLU 363 Cb 1.04 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3jww h GLU 363 CO 0.01 0.68 -0.77 0.82 -1.00 0.00 0.00 179.01 178.75 3jww h ILE 364 N 1.06 1.36 0.08 3.13 2.04 -1.64 -1.80 117.51 121.74 3jww h ILE 364 Ca 0.31 -2.35 -0.00 0.00 1.00 0.00 0.00 64.86 63.81 3jww h ILE 364 Cb -0.07 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 3jww h ILE 364 CO -0.09 0.58 -0.04 1.23 0.00 0.00 0.00 178.15 179.84 3jww h GLY 365 N -0.63 -0.11 0.00 5.37 0.00 -1.20 -1.27 103.07 105.23 3jww h GLY 365 Ca -0.18 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3jww h GLY 365 CO -0.01 -0.04 0.00 2.41 0.00 0.00 0.00 176.54 178.90 3jww n THR 366 N -4.88 0.00 0.18 4.70 -1.04 -0.77 -3.72 114.28 108.74 3jww n THR 366 Ca -0.08 0.49 -0.14 0.00 -2.04 0.00 0.00 64.05 62.27 3jww n THR 366 Cb 0.28 -1.47 -0.07 0.00 -1.82 0.00 0.00 70.33 67.25 3jww n THR 366 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3jww h ARG 367 N 0.00 -0.57 0.04 -2.82 2.47 -1.54 0.57 114.38 112.53 3jww h ARG 367 Ca 0.00 0.04 -0.25 0.00 -1.26 0.00 0.00 59.98 58.51 3jww h ARG 367 Cb 0.00 0.13 0.01 0.00 -1.65 0.00 0.00 29.97 28.46 3jww h ARG 367 CO 0.00 -0.38 -1.05 -0.91 0.56 0.00 0.00 179.97 178.19 3jww h ASN 368 N -0.60 0.61 0.47 7.04 2.35 -1.23 -1.41 115.58 122.82 3jww h ASN 368 Ca -0.00 -0.52 -0.27 0.00 -0.55 0.00 0.00 56.30 54.96 3jww h ASN 368 Cb 0.56 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 3jww h ASN 368 CO -0.08 1.34 -1.73 0.18 -1.65 0.00 0.00 177.43 175.49 3jww n LEU 369 N -3.73 0.75 -0.00 1.61 4.77 -0.49 -2.27 117.00 117.64 3jww n LEU 369 Ca -0.09 0.35 0.06 0.00 -0.03 0.00 0.00 56.01 56.30 3jww n LEU 369 Cb 0.90 0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 42.10 3jww n LEU 369 CO 0.53 0.34 -0.17 0.00 -1.33 0.00 0.00 177.39 176.76 3jww n ASP 371 N -1.44 -1.05 0.10 0.00 8.00 -0.53 -4.63 116.55 116.99 3jww n ASP 371 Ca 0.01 0.85 0.03 0.00 0.71 0.00 0.00 54.79 56.40 3jww n ASP 371 Cb 0.22 -1.12 -0.01 0.00 -0.02 0.00 0.00 41.12 40.19 3jww n ASP 371 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3jww h PRO 372 N 0.63 0.00 -0.25 -0.24 0.11 -1.92 -2.47 132.00 127.86 3jww h PRO 372 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3jww h PRO 372 Cb 1.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.51 3jww h PRO 372 CO 0.50 0.33 0.00 -2.39 -0.21 0.00 0.00 178.00 176.23 3jww n HIS 373 N -3.02 0.32 0.00 0.65 1.44 -1.26 -4.62 115.22 108.73 3jww n HIS 373 Ca -0.03 -0.16 0.00 0.00 -2.01 0.00 0.00 57.72 55.52 3jww n HIS 373 Cb 0.75 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.86 3jww n HIS 373 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3jww n ARG 374 N 0.38 1.20 0.25 -1.40 5.12 -1.11 -4.36 116.66 116.74 3jww n ARG 374 Ca 0.14 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.20 3jww n ARG 374 Cb 0.30 0.00 0.49 0.00 -1.16 0.00 0.00 32.46 32.10 3jww n ARG 374 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jww h TYR 375 N 0.00 0.00 -5.89 -1.55 -1.99 -1.62 -3.42 116.97 102.49 3jww h TYR 375 Ca 0.00 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.43 3jww h TYR 375 Cb 0.00 0.00 0.09 0.00 2.00 0.00 0.00 36.73 38.82 3jww h TYR 375 CO 0.00 0.08 -0.73 -1.71 -0.00 0.00 0.00 178.16 175.79 3jww n ASN 376 N -3.17 -6.17 0.02 3.88 2.85 -0.49 -4.88 115.26 107.30 3jww n ASN 376 Ca 0.01 -0.73 0.11 0.00 -0.11 0.00 0.00 54.58 53.86 3jww n ASN 376 Cb 0.40 -4.10 -0.01 0.00 1.24 0.00 0.00 39.78 37.32 3jww n ASN 376 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 3jww n ILE 377 N -3.26 0.15 -0.38 -1.44 -5.35 -0.28 -4.64 119.36 104.16 3jww n ILE 377 Ca -0.09 -0.25 -0.03 0.00 -0.27 0.00 0.00 62.75 62.11 3jww n ILE 377 Cb 0.59 0.24 0.01 0.00 -1.74 0.00 0.00 39.64 38.75 3jww n ILE 377 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 3jww n LEU 378 N -1.97 -0.71 0.07 7.28 7.94 -1.26 0.09 117.00 128.45 3jww n LEU 378 Ca 0.02 1.70 -0.12 0.00 -1.11 0.00 0.00 56.01 56.50 3jww n LEU 378 Cb 0.44 -0.36 -0.06 0.00 0.53 0.00 0.00 43.42 43.97 3jww n LEU 378 CO 0.41 -1.50 0.80 -0.08 -1.11 0.00 0.00 177.39 175.91 3jww h GLU 379 N 0.00 -0.18 -0.80 1.96 4.81 -1.98 -0.65 114.58 117.74 3jww h GLU 379 Ca 0.30 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.68 3jww h GLU 379 Cb 0.55 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.88 3jww h GLU 379 CO -0.96 -0.12 0.39 -0.44 -0.73 0.00 0.00 179.01 177.15 3jww h ASP 380 N -0.19 0.45 0.30 1.04 3.32 -0.66 0.52 116.42 121.20 3jww h ASP 380 Ca 0.02 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3jww h ASP 380 Cb 0.20 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3jww h ASP 380 CO -0.05 0.20 -0.14 0.58 -1.72 0.00 0.00 179.24 178.10 3jww h VAL 381 N 0.57 0.55 -1.12 -1.35 2.07 -1.26 -1.59 116.25 114.13 3jww h VAL 381 Ca 0.43 -0.80 0.31 0.00 0.82 0.00 0.00 66.70 67.46 3jww h VAL 381 Cb 0.60 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 3jww h VAL 381 CO -0.36 0.12 0.78 0.00 0.02 0.00 0.00 177.57 178.13 3jww h ALA 382 N -0.54 2.81 0.00 1.67 0.00 -0.10 1.04 119.26 124.15 3jww h ALA 382 Ca -0.04 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3jww h ALA 382 Cb 0.51 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3jww h ALA 382 CO 0.07 -1.17 -0.70 0.28 0.00 0.00 0.00 179.25 177.72 3jww h VAL 383 N 0.12 1.37 -0.09 0.00 2.07 -0.50 -0.51 116.25 118.73 3jww h VAL 383 Ca 0.57 -2.52 -0.01 0.00 0.82 0.00 0.00 66.70 65.56 3jww h VAL 383 Cb 1.99 2.41 -0.00 0.00 -1.52 0.00 0.00 31.29 34.16 3jww h VAL 383 CO -0.11 0.69 0.03 0.00 0.02 0.00 0.00 177.57 178.21 3jww h MET 385 N -0.02 0.00 -0.71 0.00 2.86 -0.72 -3.46 114.93 112.87 3jww h MET 385 Ca 0.03 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 3jww h MET 385 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3jww h MET 385 CO -0.00 0.00 -0.09 -3.47 1.06 0.00 0.00 176.91 174.41 3jww n ASP 386 N -2.86 -1.96 -4.90 1.22 2.03 -0.28 -5.02 116.55 104.78 3jww n ASP 386 Ca 0.01 -0.02 -0.28 0.00 0.52 0.00 0.00 54.79 55.02 3jww n ASP 386 Cb 0.26 -1.21 0.03 0.00 -0.72 0.00 0.00 41.12 39.47 3jww n ASP 386 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3jww s LEU 387 N -1.15 3.22 -0.27 -2.67 1.43 -0.72 -5.03 118.68 113.48 3jww s LEU 387 Ca 0.02 0.95 -0.24 0.00 -1.03 0.00 0.00 54.13 53.83 3jww s LEU 387 Cb -0.01 -3.83 -0.00 0.00 0.03 0.00 0.00 46.19 42.38 3jww s LEU 387 CO 0.02 -1.02 0.82 -0.62 0.23 0.00 0.00 176.35 175.79 3jww s ASP 388 N -4.27 6.77 -0.16 2.29 2.15 -1.26 -4.76 116.67 117.43 3jww s ASP 388 Ca 0.54 0.89 0.16 0.00 0.43 0.00 0.00 52.55 54.57 3jww s ASP 388 Cb -0.11 -2.43 0.63 0.00 -0.30 0.00 0.00 42.92 40.72 3jww s ASP 388 CO 0.48 -0.57 1.55 0.35 -0.17 0.00 0.00 175.17 176.80 3jww n THR 389 N 5.40 2.15 1.11 1.71 -2.24 -1.26 -4.34 114.28 116.81 3jww n THR 389 Ca 0.05 -1.48 0.13 0.00 -2.27 0.00 0.00 64.05 60.48 3jww n THR 389 Cb 0.48 -0.07 0.45 0.00 -2.10 0.00 0.00 70.33 69.09 3jww n THR 389 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3jww n ARG 390 N 0.33 0.21 -3.67 -0.78 1.74 -1.26 -4.91 116.66 108.32 3jww n ARG 390 Ca 0.23 -0.08 -0.11 0.00 -0.77 0.00 0.00 57.85 57.12 3jww n ARG 390 Cb 0.92 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.78 3jww n ARG 390 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3jww s THR 391 N -2.85 -0.01 0.30 0.55 -1.32 -1.26 -5.04 115.64 106.01 3jww s THR 391 Ca 0.17 0.02 0.25 0.00 -1.21 0.00 0.00 61.69 60.92 3jww s THR 391 Cb 0.19 -0.83 0.25 0.00 -1.51 0.00 0.00 72.50 70.60 3jww s THR 391 CO 0.58 0.01 1.95 0.71 -2.21 0.00 0.00 174.62 175.66 3jww h THR 392 N 4.77 0.62 -0.00 5.08 1.35 -1.92 -3.18 112.91 119.63 3jww h THR 392 Ca -0.31 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 3jww h THR 392 Cb 1.19 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 3jww h THR 392 CO 0.18 0.19 -0.12 -1.54 -0.25 0.00 0.00 175.52 173.97 3jww n SER 393 N -3.57 0.29 0.15 5.36 3.41 -1.26 -2.04 113.62 115.97 3jww n SER 393 Ca -0.01 -0.21 0.13 0.00 -0.26 0.00 0.00 58.87 58.52 3jww n SER 393 Cb 0.33 -0.16 0.44 0.00 -0.26 0.00 0.00 64.21 64.56 3jww n SER 393 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3jww h SER 394 N 0.26 0.00 -5.96 4.04 4.64 -1.86 -3.48 113.55 111.20 3jww h SER 394 Ca 0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 3jww h SER 394 Cb 0.40 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.58 3jww h SER 394 CO 0.00 0.00 -0.76 0.18 -0.87 0.00 0.00 176.83 175.38 3jww n LEU 395 N -2.49 -3.32 -0.10 5.97 4.77 -0.87 -4.91 117.00 116.06 3jww n LEU 395 Ca 0.04 -0.69 -0.13 0.00 -0.03 0.00 0.00 56.01 55.20 3jww n LEU 395 Cb 0.37 -2.86 -0.01 0.00 -2.33 0.00 0.00 43.42 38.59 3jww n LEU 395 CO 0.27 0.47 0.54 4.11 -1.33 0.00 0.00 177.39 181.45 3jww h TRP 396 N -2.13 1.08 -0.65 -1.77 5.08 -1.83 -0.40 115.95 115.33 3jww h TRP 396 Ca -0.59 -0.33 0.13 0.00 1.08 0.00 0.00 58.89 59.18 3jww h TRP 396 Cb 1.36 -0.22 -0.12 0.00 -3.00 0.00 0.00 29.16 27.17 3jww h TRP 396 CO 0.49 1.15 -0.13 0.87 -1.28 0.00 0.00 178.44 179.53 3jww h LYS 397 N 0.72 0.02 0.03 0.12 1.79 -1.91 0.49 116.57 117.82 3jww h LYS 397 Ca 0.05 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3jww h LYS 397 Cb 1.00 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 3jww h LYS 397 CO 0.10 0.01 -0.01 -0.44 -1.08 0.00 0.00 179.45 178.03 3jww h ASP 398 N 0.02 -0.03 -0.54 0.86 5.19 -1.87 -1.56 116.42 118.49 3jww h ASP 398 Ca 0.32 -0.48 0.10 0.00 -0.62 0.00 0.00 57.03 56.34 3jww h ASP 398 Cb 0.50 0.01 -0.08 0.00 0.18 0.00 0.00 39.33 39.94 3jww h ASP 398 CO -0.65 0.48 0.10 0.11 -3.12 0.00 0.00 179.24 176.16 3jww h LYS 399 N -0.55 0.23 -0.28 3.56 1.57 -0.71 -1.96 116.57 118.44 3jww h LYS 399 Ca -0.00 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 3jww h LYS 399 Cb 0.51 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3jww h LYS 399 CO 0.01 0.15 -0.51 0.00 -0.57 0.00 0.00 179.45 178.53 3jww h ALA 400 N 1.43 0.44 -0.97 3.86 0.00 -0.96 -2.96 119.26 120.10 3jww h ALA 400 Ca 0.28 -0.50 0.23 0.00 0.00 0.00 0.00 54.91 54.91 3jww h ALA 400 Cb 0.39 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.99 3jww h ALA 400 CO -0.36 0.63 0.54 0.00 0.00 0.00 0.00 179.25 180.05 3jww h ALA 401 N 0.67 1.65 -0.45 0.00 0.00 -0.54 -1.34 119.26 119.25 3jww h ALA 401 Ca 0.01 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3jww h ALA 401 Cb 1.12 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3jww h ALA 401 CO 0.12 -0.25 -0.23 0.28 0.00 0.00 0.00 179.25 179.16 3jww h VAL 402 N 0.56 1.27 0.00 0.00 2.07 -1.35 -1.69 116.25 117.11 3jww h VAL 402 Ca 0.60 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 3jww h VAL 402 Cb 1.11 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3jww h VAL 402 CO -0.47 0.48 -0.05 -0.33 0.02 0.00 0.00 177.57 177.21 3jww h GLU 403 N 0.80 0.00 0.14 1.57 4.39 -1.10 -0.57 114.58 119.82 3jww h GLU 403 Ca 0.10 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.56 3jww h GLU 403 Cb 0.81 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.48 3jww h GLU 403 CO 0.07 0.05 -1.14 0.82 -1.16 0.00 0.00 179.01 177.65 3jww h ILE 404 N 0.00 1.29 -0.44 3.13 2.04 -1.10 0.14 117.51 122.56 3jww h ILE 404 Ca -0.00 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.37 3jww h ILE 404 Cb 0.10 2.98 -0.02 0.00 -0.74 0.00 0.00 36.82 39.14 3jww h ILE 404 CO 0.01 0.72 0.29 0.78 0.00 0.00 0.00 178.15 179.95 3jww h ASN 405 N -0.29 0.51 0.48 1.72 4.21 -1.25 -1.05 115.58 119.92 3jww h ASN 405 Ca -0.22 -0.01 -0.23 0.00 1.21 0.00 0.00 56.30 57.05 3jww h ASN 405 Cb 1.75 -0.13 -0.00 0.00 -1.12 0.00 0.00 38.32 38.82 3jww h ASN 405 CO 0.13 0.37 -0.99 0.25 -1.29 0.00 0.00 177.43 175.89 3jww h LEU 406 N 0.60 0.42 -0.95 1.61 5.85 -0.71 -2.38 115.31 119.75 3jww h LEU 406 Ca 0.16 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 3jww h LEU 406 Cb -0.07 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3jww h LEU 406 CO -0.03 1.19 0.37 0.00 -0.34 0.00 0.00 178.44 179.63 3jww h ALA 407 N 0.78 1.18 -0.68 1.25 0.00 -0.51 -1.60 119.26 119.67 3jww h ALA 407 Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3jww h ALA 407 Cb 1.65 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 3jww h ALA 407 CO 0.16 0.62 0.44 0.28 0.00 0.00 0.00 179.25 180.76 3jww h VAL 408 N 1.12 1.18 -0.16 0.00 2.07 -0.84 -0.94 116.25 118.68 3jww h VAL 408 Ca 0.27 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 3jww h VAL 408 Cb 0.12 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3jww h VAL 408 CO -0.03 0.18 -0.19 -0.07 0.02 0.00 0.00 177.57 177.48 3jww h LEU 409 N 0.92 0.44 -0.20 2.57 3.38 -1.20 -2.39 115.31 118.83 3jww h LEU 409 Ca 0.25 -0.50 0.04 0.00 0.09 0.00 0.00 57.88 57.76 3jww h LEU 409 Cb -0.09 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3jww h LEU 409 CO -0.05 0.85 -0.06 -0.74 0.09 0.00 0.00 178.44 178.52 3jww h HIS 410 N 0.04 -0.14 -0.19 1.13 2.76 -1.18 -0.74 115.15 116.82 3jww h HIS 410 Ca 0.02 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.05 3jww h HIS 410 Cb 0.73 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.78 3jww h HIS 410 CO 0.09 -0.11 -0.54 0.77 -1.30 0.00 0.00 177.93 176.84 3jww h SER 411 N -0.02 0.64 -0.44 3.26 0.02 -1.09 0.44 113.55 116.35 3jww h SER 411 Ca 0.10 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 3jww h SER 411 Cb 0.18 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3jww h SER 411 CO -0.22 1.05 0.25 -0.26 -1.14 0.00 0.00 176.83 176.52 3jww h PHE 412 N 0.44 0.60 -0.02 3.45 -1.00 -1.33 -2.32 116.94 116.77 3jww h PHE 412 Ca 0.01 -0.01 -0.09 0.00 2.81 0.00 0.00 57.97 60.69 3jww h PHE 412 Cb 1.09 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.44 3jww h PHE 412 CO 0.05 0.45 -0.43 1.96 -1.61 0.00 0.00 178.31 178.73 3jww h GLN 413 N 0.58 0.04 -0.02 1.51 4.20 0.21 0.68 115.11 122.31 3jww h GLN 413 Ca 0.16 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.73 3jww h GLN 413 Cb 0.04 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3jww h GLN 413 CO -0.03 0.46 -0.56 1.25 -0.67 0.00 0.00 178.83 179.28 3jww h LEU 414 N 0.03 0.05 -2.88 1.46 5.85 -0.08 -3.18 115.31 116.56 3jww h LEU 414 Ca -0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3jww h LEU 414 Cb 0.77 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3jww h LEU 414 CO 0.06 0.60 0.00 0.00 -0.34 0.00 0.00 178.44 178.76 3jww n ALA 415 N -2.44 2.26 -2.90 1.25 0.00 -0.88 -5.01 120.51 112.79 3jww n ALA 415 Ca -0.01 -1.23 -0.04 0.00 0.00 0.00 0.00 53.44 52.16 3jww n ALA 415 Cb 0.57 -0.55 0.02 0.00 0.00 0.00 0.00 19.45 19.49 3jww n ALA 415 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3jww n LYS 416 N 0.71 -1.40 -3.76 0.00 4.76 0.19 -4.99 118.16 113.67 3jww n LYS 416 Ca 0.15 1.17 -0.15 0.00 -2.87 0.00 0.00 58.31 56.61 3jww n LYS 416 Cb 0.49 -5.22 -0.15 0.00 -1.84 0.00 0.00 35.03 28.31 3jww n LYS 416 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3jww s VAL 417 N -3.11 -0.06 0.32 -0.18 1.01 -0.96 -4.43 120.40 112.99 3jww s VAL 417 Ca 0.13 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 3jww s VAL 417 Cb -0.02 -0.14 -0.12 0.00 0.00 0.00 0.00 36.38 36.11 3jww s VAL 417 CO 0.65 0.09 1.35 0.41 0.00 0.00 0.00 175.10 177.59 3jww n THR 418 N 4.20 1.72 -3.63 3.92 -1.04 -0.98 -4.57 114.28 113.90 3jww n THR 418 Ca -0.27 -0.43 -0.11 0.00 -2.04 0.00 0.00 64.05 61.19 3jww n THR 418 Cb 0.51 -1.62 -0.07 0.00 -1.82 0.00 0.00 70.33 67.33 3jww n THR 418 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jww s ILE 419 N -0.81 0.00 -0.02 12.58 1.10 -1.26 -4.32 121.20 128.47 3jww s ILE 419 Ca 0.58 0.00 0.04 0.00 -0.51 0.00 0.00 60.65 60.77 3jww s ILE 419 Cb -0.57 -1.00 -0.01 0.00 0.15 0.00 0.00 42.46 41.03 3jww s ILE 419 CO 0.59 0.00 -0.15 0.54 -2.11 0.00 0.00 174.94 173.81 3jww s VAL 420 N 0.33 1.17 0.81 4.00 0.11 -0.69 -4.99 120.40 121.14 3jww s VAL 420 Ca 0.01 -0.62 -0.11 0.00 -2.93 0.00 0.00 61.98 58.33 3jww s VAL 420 Cb -0.05 -0.99 0.09 0.00 -1.53 0.00 0.00 36.38 33.90 3jww s VAL 420 CO -0.03 0.34 1.16 1.51 -3.33 0.00 0.00 175.10 174.75 3jww s ASP 421 N -0.21 4.37 0.30 3.54 1.47 -1.26 -0.42 116.67 124.48 3jww s ASP 421 Ca 0.03 0.63 0.17 0.00 1.18 0.00 0.00 52.55 54.56 3jww s ASP 421 Cb -0.07 -1.09 0.12 0.00 -0.34 0.00 0.00 42.92 41.54 3jww s ASP 421 CO 0.00 -1.96 1.44 1.12 0.68 0.00 0.00 175.17 176.45 3jww h HIS 422 N -1.04 0.00 -0.04 2.11 2.07 -1.98 -1.05 115.15 115.21 3jww h HIS 422 Ca -0.45 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.05 3jww h HIS 422 Cb 1.31 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.29 3jww h HIS 422 CO 0.11 0.37 -0.05 0.45 -3.07 0.00 0.00 177.93 175.74 3jww h HIS 423 N 0.00 0.13 -0.35 6.12 3.86 -1.96 -2.45 115.15 120.51 3jww h HIS 423 Ca -0.01 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.11 3jww h HIS 423 Cb 1.30 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.73 3jww h HIS 423 CO 0.00 0.59 0.02 0.00 0.86 0.00 0.00 177.93 179.40 3jww h ALA 424 N 0.52 0.46 -0.42 2.45 0.00 -1.95 -2.50 119.26 117.83 3jww h ALA 424 Ca 0.01 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3jww h ALA 424 Cb 0.58 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3jww h ALA 424 CO 0.01 0.21 0.07 0.00 0.00 0.00 0.00 179.25 179.53 3jww h ALA 425 N 0.87 0.44 0.00 0.00 0.00 -1.27 -2.18 119.26 117.12 3jww h ALA 425 Ca 0.10 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 3jww h ALA 425 Cb 0.42 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3jww h ALA 425 CO 0.01 -0.34 -0.57 1.79 0.00 0.00 0.00 179.25 180.15 3jww h THR 426 N 0.19 1.19 -0.34 0.00 1.35 -1.36 -2.06 112.91 111.88 3jww h THR 426 Ca 0.20 -2.10 -0.00 0.00 -0.55 0.00 0.00 66.41 63.96 3jww h THR 426 Cb 0.26 2.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.87 3jww h THR 426 CO -0.28 0.55 0.20 0.58 -0.25 0.00 0.00 175.52 176.32 3jww h VAL 427 N 0.00 1.12 0.00 6.82 2.07 -1.16 -1.69 116.25 123.41 3jww h VAL 427 Ca -0.01 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 3jww h VAL 427 Cb 1.16 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3jww h VAL 427 CO 0.07 0.12 -0.33 0.77 0.02 0.00 0.00 177.57 178.22 3jww h SER 428 N 0.44 0.00 -0.53 0.57 4.64 -1.16 -2.56 113.55 114.95 3jww h SER 428 Ca 0.12 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 3jww h SER 428 Cb 0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 3jww h SER 428 CO -0.02 0.33 0.26 0.15 -0.87 0.00 0.00 176.83 176.67 3jww h PHE 429 N 0.00 0.75 -0.88 4.77 3.57 -1.06 0.44 116.94 124.54 3jww h PHE 429 Ca -0.00 -0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.56 3jww h PHE 429 Cb 0.81 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 39.24 3jww h PHE 429 CO 0.00 0.58 0.52 0.52 -2.23 0.00 0.00 178.31 177.70 3jww h MET 430 N 0.71 0.84 -0.51 1.11 2.86 -1.10 0.14 114.93 118.98 3jww h MET 430 Ca 0.18 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.66 3jww h MET 430 Cb 0.11 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 3jww h MET 430 CO -0.02 0.56 -0.10 -0.22 1.06 0.00 0.00 176.91 178.19 3jww h LYS 431 N 0.87 0.97 -0.83 1.72 1.63 -0.99 -2.34 116.57 117.60 3jww h LYS 431 Ca 0.42 -0.36 0.04 0.00 -0.85 0.00 0.00 60.65 59.90 3jww h LYS 431 Cb 0.37 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.89 3jww h LYS 431 CO -0.24 1.03 0.54 1.25 -3.45 0.00 0.00 179.45 178.58 3jww h HIS 432 N 0.83 0.98 -0.40 1.91 2.76 0.15 -1.17 115.15 120.21 3jww h HIS 432 Ca 0.13 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 3jww h HIS 432 Cb 0.65 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 3jww h HIS 432 CO 0.05 0.57 0.12 -0.07 -1.30 0.00 0.00 177.93 177.30 3jww h LEU 433 N 1.01 0.58 -0.95 0.26 3.38 -0.28 -0.17 115.31 119.15 3jww h LEU 433 Ca 0.33 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3jww h LEU 433 Cb 0.05 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3jww h LEU 433 CO -0.10 0.63 0.63 -0.78 0.09 0.00 0.00 178.44 178.91 3jww h ASP 434 N 0.49 1.08 -0.20 -0.43 3.58 -1.17 -2.04 116.42 117.73 3jww h ASP 434 Ca 0.13 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 3jww h ASP 434 Cb 0.26 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3jww h ASP 434 CO -0.00 0.78 0.07 0.78 -2.88 0.00 0.00 179.24 177.98 3jww h ASN 435 N 1.27 0.28 0.10 2.28 2.35 -0.53 -2.58 115.58 118.76 3jww h ASN 435 Ca 0.35 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3jww h ASN 435 Cb -0.13 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 3jww h ASN 435 CO -0.08 0.39 -0.02 -0.33 -1.65 0.00 0.00 177.43 175.75 3jww h GLU 436 N 0.16 0.00 0.20 0.81 4.39 -0.89 -0.17 114.58 119.08 3jww h GLU 436 Ca 0.07 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.44 3jww h GLU 436 Cb 0.21 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.88 3jww h GLU 436 CO -0.00 0.02 -1.49 0.37 -1.16 0.00 0.00 179.01 176.74 3jww h GLN 437 N 0.00 0.42 -0.30 2.33 5.75 -0.99 0.33 115.11 122.65 3jww h GLN 437 Ca -0.00 -0.72 -0.08 0.00 -0.15 0.00 0.00 58.65 57.70 3jww h GLN 437 Cb 0.07 0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 3jww h GLN 437 CO 0.00 1.33 -0.13 0.87 -2.65 0.00 0.00 178.83 178.25 3jww h LYS 438 N 0.11 0.61 0.04 1.69 1.57 -1.08 -2.49 116.57 117.03 3jww h LYS 438 Ca -0.25 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 58.17 3jww h LYS 438 Cb 2.10 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 34.40 3jww h LYS 438 CO 0.23 0.84 -0.41 0.00 -0.57 0.00 0.00 179.45 179.53 3jww h ALA 439 N 0.76 -0.01 0.00 3.86 0.00 -0.99 -3.42 119.26 119.46 3jww h ALA 439 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3jww h ALA 439 Cb 0.65 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3jww h ALA 439 CO 0.04 0.19 -1.06 0.54 0.00 0.00 0.00 179.25 178.97 3jww n ARG 440 N -4.37 1.23 -0.50 0.00 1.74 0.11 -5.01 116.66 109.86 3jww n ARG 440 Ca -0.11 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 3jww n ARG 440 Cb 0.62 -1.06 0.00 0.00 -1.02 0.00 0.00 32.46 31.00 3jww n ARG 440 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jww n GLY 441 N 1.95 0.71 0.00 -0.13 0.00 -0.93 -4.27 105.19 102.52 3jww n GLY 441 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3jww n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jww n GLY 442 N -2.50 2.22 2.71 -0.02 0.00 -1.17 -0.37 105.19 106.07 3jww n GLY 442 Ca 0.00 -1.04 -0.19 0.00 0.00 0.00 0.00 46.02 44.80 3jww n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jww s PRO 444 N 1.77 4.67 0.15 0.00 0.04 -1.26 -4.65 135.00 135.72 3jww s PRO 444 Ca 0.00 1.30 -0.17 0.00 0.04 0.00 0.00 61.00 62.17 3jww s PRO 444 Cb -0.12 -3.31 0.04 0.00 0.04 0.00 0.00 34.50 31.14 3jww s PRO 444 CO -0.03 0.43 0.46 0.00 0.04 0.00 0.00 177.00 177.90 3jww s ALA 445 N -0.73 -0.98 -0.31 8.56 0.00 0.87 -4.40 121.76 124.78 3jww s ALA 445 Ca 0.40 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.32 3jww s ALA 445 Cb -0.24 0.77 0.08 0.00 0.00 0.00 0.00 23.12 23.74 3jww s ALA 445 CO 0.28 -0.71 -0.01 0.34 0.00 0.00 0.00 175.76 175.66 3jww s ASP 446 N -2.82 4.67 0.34 0.00 -1.08 -0.94 -3.60 116.67 113.24 3jww s ASP 446 Ca 0.05 -1.81 0.02 0.00 -0.52 0.00 0.00 52.55 50.29 3jww s ASP 446 Cb 0.01 -1.61 0.62 0.00 -1.46 0.00 0.00 42.92 40.48 3jww s ASP 446 CO -0.09 -0.31 2.00 -0.25 0.52 0.00 0.00 175.17 177.04 3jww h TRP 447 N 7.71 0.83 0.00 -5.34 7.01 -1.90 -1.68 115.95 122.58 3jww h TRP 447 Ca -0.11 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.91 3jww h TRP 447 Cb 1.03 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.81 3jww h TRP 447 CO 0.54 0.51 0.00 0.00 -2.79 0.00 0.00 178.44 176.70 3jww h ALA 448 N 1.59 1.00 0.00 2.65 0.00 -1.94 -1.09 119.26 121.46 3jww h ALA 448 Ca 0.26 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.79 3jww h ALA 448 Cb -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 3jww h ALA 448 CO -0.06 0.00 -2.40 0.91 0.00 0.00 0.00 179.25 177.70 3jww n TRP 449 N -3.06 0.03 0.02 0.00 7.02 -0.86 -4.44 117.44 116.15 3jww n TRP 449 Ca 0.03 0.01 -0.15 0.00 -1.02 0.00 0.00 57.50 56.37 3jww n TRP 449 Cb 0.44 -1.00 -0.04 0.00 -2.42 0.00 0.00 31.31 28.29 3jww n TRP 449 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jww h ILE 450 N 0.00 1.32 -2.99 -0.99 1.08 -1.21 -3.43 117.51 111.29 3jww h ILE 450 Ca -0.55 -2.09 -0.54 0.00 -0.39 0.00 0.00 64.86 61.29 3jww h ILE 450 Cb 2.15 2.09 0.01 0.00 -3.07 0.00 0.00 36.82 38.00 3jww h ILE 450 CO -0.00 0.65 0.75 -0.69 -0.69 0.00 0.00 178.15 178.16 3jww s VAL 451 N -3.63 3.58 0.95 1.67 1.01 -0.42 -4.95 120.40 118.60 3jww s VAL 451 Ca -0.08 1.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.86 3jww s VAL 451 Cb 0.09 -3.69 0.16 0.00 0.00 0.00 0.00 36.38 32.94 3jww s VAL 451 CO 0.88 0.05 1.09 -2.84 0.00 0.00 0.00 175.10 174.28 3jww s PRO 452 N 1.65 0.82 0.00 2.72 0.02 -1.26 -4.92 135.00 134.03 3jww s PRO 452 Ca 0.63 0.90 0.26 0.00 0.02 0.00 0.00 61.00 62.81 3jww s PRO 452 Cb -0.33 -1.75 1.39 0.00 0.02 0.00 0.00 34.50 33.83 3jww s PRO 452 CO 0.29 -2.56 1.91 -0.35 -0.33 0.00 0.00 177.00 175.95 3jww n PRO 453 N -4.12 1.18 -4.18 5.54 -0.05 -1.26 -4.40 135.00 127.71 3jww n PRO 453 Ca 0.07 -0.27 -0.15 0.00 -0.05 0.00 0.00 63.50 63.10 3jww n PRO 453 Cb 0.55 -1.42 -0.11 0.00 -0.05 0.00 0.00 33.50 32.47 3jww n PRO 453 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 175.50 176.41 3jww s ILE 454 N -1.98 1.00 -1.43 0.52 -4.36 -1.26 -4.93 121.20 108.76 3jww s ILE 454 Ca 0.38 -1.60 -0.11 0.00 -0.26 0.00 0.00 60.65 59.07 3jww s ILE 454 Cb 0.18 -1.33 0.04 0.00 1.25 0.00 0.00 42.46 42.61 3jww s ILE 454 CO 0.30 -0.50 1.08 -1.20 0.24 0.00 0.00 174.94 174.86 3jww n SER 455 N 0.66 -5.37 0.24 4.36 7.64 -1.26 -4.90 113.62 114.99 3jww n SER 455 Ca -0.17 -0.66 -0.14 0.00 1.01 0.00 0.00 58.87 58.92 3jww n SER 455 Cb 0.57 -4.49 -0.07 0.00 -1.01 0.00 0.00 64.21 59.20 3jww n SER 455 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3jww h GLY 456 N -2.38 -1.11 2.00 0.23 0.00 -1.92 -2.03 103.07 97.85 3jww h GLY 456 Ca -0.58 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3jww h GLY 456 CO 0.61 -0.35 0.00 -1.14 0.00 0.00 0.00 176.54 175.66 3jww n SER 457 N -4.66 0.62 0.00 0.19 3.41 -1.26 -1.03 113.62 110.90 3jww n SER 457 Ca -0.09 0.71 0.07 0.00 -0.26 0.00 0.00 58.87 59.30 3jww n SER 457 Cb 0.35 -0.82 0.39 0.00 -0.26 0.00 0.00 64.21 63.87 3jww n SER 457 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jww n LEU 458 N -2.25 0.00 -4.43 1.04 4.32 -0.77 -4.80 117.00 110.12 3jww n LEU 458 Ca 0.01 0.16 -0.30 0.00 -0.02 0.00 0.00 56.01 55.86 3jww n LEU 458 Cb 0.14 -0.16 -0.13 0.00 -1.62 0.00 0.00 43.42 41.65 3jww n LEU 458 CO 0.15 -0.09 -0.52 0.42 -1.22 0.00 0.00 177.39 176.13 3jww s THR 459 N -2.32 2.56 0.54 -5.08 -4.23 -0.19 -5.01 115.64 101.90 3jww s THR 459 Ca 0.17 -1.41 0.25 0.00 -1.18 0.00 0.00 61.69 59.52 3jww s THR 459 Cb 0.10 -2.10 0.31 0.00 1.34 0.00 0.00 72.50 72.15 3jww s THR 459 CO 0.20 0.24 2.19 1.55 -0.54 0.00 0.00 174.62 178.25 3jww h PRO 460 N 4.28 0.00 -0.05 3.99 0.13 -1.87 -1.79 132.00 136.69 3jww h PRO 460 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 3jww h PRO 460 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3jww h PRO 460 CO 0.45 0.03 -0.21 -0.39 -0.23 0.00 0.00 178.00 177.65 3jww h VAL 461 N 0.00 1.18 -0.82 1.56 -1.51 -1.88 -2.50 116.25 112.28 3jww h VAL 461 Ca -0.00 -0.82 0.22 0.00 -1.23 0.00 0.00 66.70 64.87 3jww h VAL 461 Cb 0.08 1.38 -0.04 0.00 -2.13 0.00 0.00 31.29 30.57 3jww h VAL 461 CO 0.00 0.24 0.58 0.15 -1.23 0.00 0.00 177.57 177.31 3jww h PHE 462 N 0.07 0.16 -0.03 5.19 3.04 -1.49 -2.24 116.94 121.65 3jww h PHE 462 Ca 0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.97 3jww h PHE 462 Cb 0.42 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.88 3jww h PHE 462 CO 0.00 0.04 -0.03 0.72 -2.02 0.00 0.00 178.31 177.03 3jww n HIS 463 N -4.36 0.00 -3.72 0.41 -0.00 -0.94 -4.84 115.22 101.77 3jww n HIS 463 Ca 0.17 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.52 3jww n HIS 463 Cb 0.81 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.68 3jww n HIS 463 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 3jww s GLN 464 N -1.89 3.50 0.76 -0.41 2.00 -0.84 -0.65 119.66 122.13 3jww s GLN 464 Ca 0.25 -0.59 -0.15 0.00 -2.00 0.00 0.00 55.36 52.87 3jww s GLN 464 Cb 0.18 -3.42 -0.01 0.00 0.80 0.00 0.00 33.01 30.56 3jww s GLN 464 CO 0.29 -0.29 0.64 0.39 -0.50 0.00 0.00 175.29 175.82 3jww n GLU 465 N 4.94 0.25 -3.69 1.67 1.02 -0.66 -4.98 120.64 119.19 3jww n GLU 465 Ca -0.15 0.13 -0.14 0.00 -0.02 0.00 0.00 57.16 56.98 3jww n GLU 465 Cb 0.50 -1.95 -0.08 0.00 -0.02 0.00 0.00 31.44 29.90 3jww n GLU 465 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3jww s MET 466 N -3.07 0.73 -0.02 3.49 -1.94 -1.26 -4.78 119.30 112.45 3jww s MET 466 Ca 0.66 0.19 0.01 0.00 -1.71 0.00 0.00 55.69 54.85 3jww s MET 466 Cb -0.33 0.34 -0.03 0.00 2.01 0.00 0.00 34.83 36.82 3jww s MET 466 CO 0.57 -0.18 -0.03 0.08 -0.01 0.00 0.00 175.02 175.46 3jww s VAL 467 N -0.79 3.98 -0.02 -6.03 1.01 -1.26 -4.89 120.40 112.40 3jww s VAL 467 Ca -0.09 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.36 3jww s VAL 467 Cb -0.03 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 3jww s VAL 467 CO 0.05 0.43 -0.21 0.21 0.00 0.00 0.00 175.10 175.58 3jww s ASN 468 N -1.36 2.49 0.16 3.32 3.84 -1.24 -0.09 114.94 122.06 3jww s ASN 468 Ca 0.17 -0.39 -0.24 0.00 0.21 0.00 0.00 52.86 52.62 3jww s ASN 468 Cb -0.11 -0.33 0.08 0.00 -0.55 0.00 0.00 41.25 40.33 3jww s ASN 468 CO 0.08 0.25 1.04 -0.72 -2.79 0.00 0.00 177.10 174.96 3jww s TYR 469 N -0.43 0.01 -0.26 0.43 -0.85 -1.26 -4.93 117.35 110.06 3jww s TYR 469 Ca 0.07 -0.36 -0.06 0.00 -0.52 0.00 0.00 57.07 56.20 3jww s TYR 469 Cb -0.09 0.67 -0.00 0.00 0.38 0.00 0.00 41.96 42.92 3jww s TYR 469 CO -0.00 -0.84 0.04 0.42 -1.52 0.00 0.00 175.55 173.64 3jww s ILE 470 N -2.46 3.83 0.03 -3.49 1.01 -1.26 -4.87 121.20 113.98 3jww s ILE 470 Ca 0.19 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.36 3jww s ILE 470 Cb -0.02 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 3jww s ILE 470 CO 0.04 0.25 -0.09 -0.76 0.00 0.00 0.00 174.94 174.37 3jww s LEU 471 N 1.51 3.05 -0.09 2.97 1.43 -1.26 -3.52 118.68 122.76 3jww s LEU 471 Ca 0.04 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 3jww s LEU 471 Cb -0.16 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 3jww s LEU 471 CO 0.01 0.26 -0.06 -0.55 0.23 0.00 0.00 176.35 176.24 3jww s SER 472 N -1.54 4.71 0.72 2.29 0.15 -1.26 -4.18 113.70 114.59 3jww s SER 472 Ca 0.17 -0.04 -0.16 0.00 0.70 0.00 0.00 55.95 56.62 3jww s SER 472 Cb -0.11 -1.37 0.03 0.00 -1.71 0.00 0.00 66.02 62.86 3jww s SER 472 CO 0.08 0.31 1.25 -2.65 1.20 0.00 0.00 173.24 173.43 3jww n PRO 473 N 2.59 0.70 -3.62 5.44 -0.02 -1.26 -4.99 135.00 133.85 3jww n PRO 473 Ca -0.18 0.30 -0.14 0.00 -2.02 0.00 0.00 63.50 61.47 3jww n PRO 473 Cb 0.53 -2.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 3jww n PRO 473 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jww s ALA 474 N -1.71 -1.20 -0.14 3.55 0.00 -0.98 -3.86 121.76 117.42 3jww s ALA 474 Ca 0.79 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 53.13 3jww s ALA 474 Cb -0.34 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 3jww s ALA 474 CO 0.45 -0.47 0.24 -0.06 0.00 0.00 0.00 175.76 175.92 3jww s PHE 475 N -2.35 3.51 0.18 0.00 0.08 -1.26 -1.11 117.98 117.03 3jww s PHE 475 Ca -0.06 0.58 0.10 0.00 0.12 0.00 0.00 56.93 57.67 3jww s PHE 475 Cb -0.01 -2.22 -0.04 0.00 -0.57 0.00 0.00 43.02 40.18 3jww s PHE 475 CO -0.01 0.40 -0.22 1.03 -0.10 0.00 0.00 175.22 176.31 3jww s ARG 476 N -0.03 1.43 0.50 0.44 0.52 -0.54 -4.96 118.95 116.31 3jww s ARG 476 Ca 0.15 -1.48 -0.21 0.00 -0.52 0.00 0.00 55.73 53.68 3jww s ARG 476 Cb -0.13 -1.68 -0.07 0.00 0.52 0.00 0.00 34.95 33.59 3jww s ARG 476 CO 0.04 0.36 1.10 0.71 0.02 0.00 0.00 175.30 177.53 3jww s TYR 477 N -1.76 2.84 0.05 -0.53 2.02 -1.26 -1.09 117.35 117.62 3jww s TYR 477 Ca 0.19 1.56 -0.08 0.00 -0.37 0.00 0.00 57.07 58.36 3jww s TYR 477 Cb -0.07 -3.23 -0.00 0.00 -0.40 0.00 0.00 41.96 38.26 3jww s TYR 477 CO 0.09 -1.28 0.17 1.14 -1.57 0.00 0.00 175.55 174.09 3jww s GLN 478 N -3.12 0.69 0.58 -0.62 -2.07 -1.26 -4.87 119.66 108.99 3jww s GLN 478 Ca 0.69 -0.73 -0.20 0.00 -1.82 0.00 0.00 55.36 53.29 3jww s GLN 478 Cb -0.22 0.28 -0.04 0.00 -1.09 0.00 0.00 33.01 31.94 3jww s GLN 478 CO 0.26 -0.20 1.26 -2.30 -1.32 0.00 0.00 175.29 173.00 3jww n PRO 479 N 0.56 1.39 -2.00 9.60 -0.02 -1.26 -4.98 135.00 138.30 3jww n PRO 479 Ca -0.18 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.41 3jww n PRO 479 Cb 0.59 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 3jww n PRO 479 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3jww s ASP 480 N -1.08 6.64 0.52 2.55 1.01 -1.26 -4.90 116.67 120.15 3jww s ASP 480 Ca 0.75 2.64 0.26 0.00 0.71 0.00 0.00 52.55 56.91 3jww s ASP 480 Cb -0.41 -2.61 1.44 0.00 1.01 0.00 0.00 42.92 42.34 3jww s ASP 480 CO 0.47 -0.73 2.09 -0.65 0.21 0.00 0.00 175.17 176.55 3jww h PRO 481 N 5.57 0.00 -0.02 8.23 0.11 -1.94 -3.55 132.00 140.42 3jww h PRO 481 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3jww h PRO 481 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3jww h PRO 481 CO 0.82 0.11 0.00 -2.67 -0.21 0.00 0.00 178.00 176.04