#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajw n VAL 61 N 0.00 1.85 0.08 0.00 0.24 -1.26 -4.88 118.33 114.36 1ajw n VAL 61 Ca 0.00 -3.13 0.00 0.00 -2.04 0.00 0.00 64.34 59.17 1ajw n VAL 61 Cb 0.00 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.23 1ajw n VAL 61 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1ajw n SER 62 N -0.69 -1.45 0.00 -1.34 7.64 -1.26 -5.18 113.62 111.34 1ajw n SER 62 Ca 0.23 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1ajw n SER 62 Cb 0.85 1.65 0.00 0.00 -1.01 0.00 0.00 64.21 65.70 1ajw n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ajw n ALA 63 N -2.84 0.00 -3.34 -0.43 0.00 -1.26 -5.13 120.51 107.51 1ajw n ALA 63 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1ajw n ALA 63 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1ajw n ALA 63 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1ajw s ASP 64 N 2.00 0.83 0.29 0.00 -4.77 -1.26 -4.96 116.67 108.80 1ajw s ASP 64 Ca 0.00 -1.52 0.10 0.00 -3.30 0.00 0.00 52.55 47.83 1ajw s ASP 64 Cb 0.00 0.73 0.41 0.00 -1.09 0.00 0.00 42.92 42.97 1ajw s ASP 64 CO 0.00 -0.24 1.65 1.55 0.70 0.00 0.00 175.17 178.82 1ajw h PRO 65 N 7.01 0.04 -6.57 2.11 0.13 -2.08 -3.43 132.00 129.20 1ajw h PRO 65 Ca 0.06 -0.03 -0.53 0.00 -0.87 0.00 0.00 66.00 64.63 1ajw h PRO 65 Cb 1.07 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.24 1ajw h PRO 65 CO 0.18 0.59 0.96 1.21 -0.23 0.00 0.00 178.00 180.72 1ajw s ASN 66 N -6.87 6.52 0.05 1.44 3.84 -1.26 -5.00 114.94 113.66 1ajw s ASN 66 Ca -0.02 2.66 0.08 0.00 0.21 0.00 0.00 52.86 55.79 1ajw s ASN 66 Cb 0.13 -2.59 -0.03 0.00 -0.55 0.00 0.00 41.25 38.21 1ajw s ASN 66 CO 0.76 -0.89 -0.21 0.68 -2.79 0.00 0.00 177.10 174.65 1ajw s VAL 67 N 1.65 2.60 0.00 -5.21 -7.23 -1.26 -5.14 120.40 105.82 1ajw s VAL 67 Ca 0.73 -1.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.63 1ajw s VAL 67 Cb -0.45 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.41 1ajw s VAL 67 CO 0.32 0.33 0.00 -0.81 -0.31 0.00 0.00 175.10 174.63 1ajw n PRO 68 N 1.56 -0.10 -0.02 4.82 -0.04 -1.26 -4.99 135.00 134.97 1ajw n PRO 68 Ca -0.16 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.28 1ajw n PRO 68 Cb 0.52 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.98 1ajw n PRO 68 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ajw n ASN 69 N -2.34 0.57 -3.93 3.54 4.05 -1.26 -4.42 115.26 111.47 1ajw n ASN 69 Ca 0.00 0.29 -0.24 0.00 0.45 0.00 0.00 54.58 55.08 1ajw n ASN 69 Cb 0.00 -0.60 -0.17 0.00 1.23 0.00 0.00 39.78 40.24 1ajw n ASN 69 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1ajw s VAL 70 N -1.44 0.92 -0.12 3.44 1.01 -1.26 -3.25 120.40 119.70 1ajw s VAL 70 Ca -0.06 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 1ajw s VAL 70 Cb 0.01 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.51 1ajw s VAL 70 CO 0.09 0.33 0.31 -0.69 0.00 0.00 0.00 175.10 175.13 1ajw s VAL 71 N 1.22 -0.00 -0.43 2.92 1.01 -1.24 -4.73 120.40 119.14 1ajw s VAL 71 Ca -0.05 0.01 -0.27 0.00 0.00 0.00 0.00 61.98 61.68 1ajw s VAL 71 Cb -0.14 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1ajw s VAL 71 CO -0.02 0.01 2.09 -0.69 0.00 0.00 0.00 175.10 176.48 1ajw s VAL 72 N 0.29 3.21 -0.02 2.92 1.01 -1.26 -3.26 120.40 123.29 1ajw s VAL 72 Ca -0.01 0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 1ajw s VAL 72 Cb -0.03 -3.40 -0.06 0.00 0.00 0.00 0.00 36.38 32.88 1ajw s VAL 72 CO -0.01 -0.34 0.64 0.71 0.00 0.00 0.00 175.10 176.10 1ajw h THR 73 N 7.17 0.00 -4.45 3.92 1.35 -1.12 -3.38 112.91 116.40 1ajw h THR 73 Ca -0.30 -0.36 -0.34 0.00 -0.55 0.00 0.00 66.41 64.85 1ajw h THR 73 Cb 1.21 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 67.49 1ajw h THR 73 CO 1.11 0.00 -0.57 -0.13 -0.25 0.00 0.00 175.52 175.67 1ajw s ARG 74 N -3.04 1.44 -0.07 4.72 0.52 -1.12 -1.62 118.95 119.78 1ajw s ARG 74 Ca -0.06 -1.80 -0.03 0.00 -0.52 0.00 0.00 55.73 53.32 1ajw s ARG 74 Cb 0.01 0.16 0.04 0.00 0.52 0.00 0.00 34.95 35.67 1ajw s ARG 74 CO 0.18 -0.46 0.13 -1.17 0.02 0.00 0.00 175.30 174.01 1ajw s LEU 75 N -3.27 0.36 0.23 2.53 0.20 -0.92 -1.97 118.68 115.84 1ajw s LEU 75 Ca 0.39 0.27 0.10 0.00 0.69 0.00 0.00 54.13 55.58 1ajw s LEU 75 Cb 0.05 0.24 -0.04 0.00 -0.43 0.00 0.00 46.19 46.02 1ajw s LEU 75 CO 0.17 -0.20 -0.08 -0.89 -0.29 0.00 0.00 176.35 175.06 1ajw s THR 76 N 1.73 3.15 -0.22 3.68 2.01 -0.22 -0.72 115.64 125.05 1ajw s THR 76 Ca -0.03 -1.88 -0.04 0.00 0.31 0.00 0.00 61.69 60.06 1ajw s THR 76 Cb -0.12 -2.62 0.07 0.00 0.01 0.00 0.00 72.50 69.84 1ajw s THR 76 CO -0.05 -0.25 0.08 -0.76 -0.69 0.00 0.00 174.62 172.95 1ajw s LEU 77 N -3.25 0.86 0.37 4.42 1.43 -1.10 -1.69 118.68 119.72 1ajw s LEU 77 Ca 0.28 -0.96 0.07 0.00 -1.03 0.00 0.00 54.13 52.49 1ajw s LEU 77 Cb -0.07 -0.44 -0.00 0.00 0.03 0.00 0.00 46.19 45.70 1ajw s LEU 77 CO 0.17 -0.37 0.51 -0.69 0.23 0.00 0.00 176.35 176.20 1ajw s VAL 78 N 1.99 3.68 0.00 -1.59 1.01 -1.18 -3.16 120.40 121.14 1ajw s VAL 78 Ca 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1ajw s VAL 78 Cb -0.16 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1ajw s VAL 78 CO -0.17 -0.10 0.00 0.00 0.00 0.00 0.00 175.10 174.82 1ajw n SER 80 N 0.00 3.76 -2.12 0.00 3.41 -1.26 -4.78 113.62 112.62 1ajw n SER 80 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 1ajw n SER 80 Cb 0.00 0.85 0.03 0.00 -0.26 0.00 0.00 64.21 64.83 1ajw n SER 80 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ajw n THR 81 N -2.01 0.59 -2.48 6.66 -2.24 -1.26 -5.11 114.28 108.43 1ajw n THR 81 Ca -0.06 -1.89 -0.24 0.00 -2.27 0.00 0.00 64.05 59.60 1ajw n THR 81 Cb 0.48 1.14 0.08 0.00 -2.10 0.00 0.00 70.33 69.93 1ajw n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ajw s ALA 82 N -1.77 3.56 0.17 6.98 0.00 -1.26 -4.50 121.76 124.95 1ajw s ALA 82 Ca 0.31 -1.38 0.18 0.00 0.00 0.00 0.00 51.96 51.06 1ajw s ALA 82 Cb 0.36 -2.21 0.63 0.00 0.00 0.00 0.00 23.12 21.90 1ajw s ALA 82 CO -0.11 -1.24 1.71 -1.00 0.00 0.00 0.00 175.76 175.12 1ajw h PRO 83 N -0.41 0.00 0.00 0.00 0.13 -1.95 -3.49 132.00 126.28 1ajw h PRO 83 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1ajw h PRO 83 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ajw h PRO 83 CO 0.49 0.40 0.00 0.41 -0.23 0.00 0.00 178.00 179.07 1ajw n GLY 84 N 0.25 -0.19 3.56 1.56 0.00 -1.26 -5.07 105.19 104.04 1ajw n GLY 84 Ca -0.00 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 1ajw n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ajw s PRO 85 N -2.00 2.92 -0.21 1.61 0.04 -1.26 -4.81 135.00 131.29 1ajw s PRO 85 Ca 0.00 0.67 -0.29 0.00 0.04 0.00 0.00 61.00 61.42 1ajw s PRO 85 Cb 0.00 -4.29 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 1ajw s PRO 85 CO 0.00 -2.38 1.91 -0.51 0.04 0.00 0.00 177.00 176.05 1ajw s LEU 86 N 7.88 3.72 -0.36 -3.56 1.43 -1.19 -4.63 118.68 121.97 1ajw s LEU 86 Ca 0.64 1.77 -0.14 0.00 -1.03 0.00 0.00 54.13 55.38 1ajw s LEU 86 Cb -0.14 -3.52 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 1ajw s LEU 86 CO 0.23 -1.58 0.27 -1.61 0.23 0.00 0.00 176.35 173.90 1ajw s GLU 87 N 5.44 3.34 -0.12 1.70 2.02 -1.25 -2.72 118.70 127.11 1ajw s GLU 87 Ca 0.85 -0.74 -0.09 0.00 0.02 0.00 0.00 54.97 55.02 1ajw s GLU 87 Cb -0.29 -3.86 -0.04 0.00 0.10 0.00 0.00 34.13 30.03 1ajw s GLU 87 CO 0.34 -0.55 0.19 -0.51 0.02 0.00 0.00 175.26 174.75 1ajw s LEU 88 N 1.75 4.36 -0.09 1.80 1.43 0.10 -4.90 118.68 123.13 1ajw s LEU 88 Ca 0.06 0.50 -0.23 0.00 -1.03 0.00 0.00 54.13 53.43 1ajw s LEU 88 Cb -0.18 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 1ajw s LEU 88 CO 0.11 0.33 0.71 -0.62 0.23 0.00 0.00 176.35 177.11 1ajw s ASP 89 N -0.67 6.96 -0.40 2.29 2.15 -1.26 -2.16 116.67 123.57 1ajw s ASP 89 Ca 0.15 1.15 0.10 0.00 0.43 0.00 0.00 52.55 54.39 1ajw s ASP 89 Cb -0.13 -2.41 0.42 0.00 -0.30 0.00 0.00 42.92 40.51 1ajw s ASP 89 CO 0.04 -0.16 1.02 0.18 -0.17 0.00 0.00 175.17 176.07 1ajw n LEU 90 N 4.07 3.26 0.01 -1.34 4.32 -0.64 -4.66 117.00 122.03 1ajw n LEU 90 Ca -0.01 -4.70 -0.03 0.00 -0.02 0.00 0.00 56.01 51.26 1ajw n LEU 90 Cb 0.51 -0.07 -0.01 0.00 -1.62 0.00 0.00 43.42 42.23 1ajw n LEU 90 CO 0.47 2.00 -0.24 0.35 -1.22 0.00 0.00 177.39 178.76 1ajw n THR 91 N -0.26 1.18 0.12 -5.08 -2.24 -1.26 -4.30 114.28 102.44 1ajw n THR 91 Ca 0.27 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.33 1ajw n THR 91 Cb 0.70 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 1ajw n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ajw n GLY 92 N 2.95 -0.41 3.34 3.38 0.00 -1.26 -4.96 105.19 108.23 1ajw n GLY 92 Ca -0.05 0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1ajw n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ajw n ASP 93 N -3.23 3.18 -0.72 1.61 9.92 -1.26 -4.60 116.55 121.45 1ajw n ASP 93 Ca 0.00 -2.73 0.13 0.00 -0.53 0.00 0.00 54.79 51.66 1ajw n ASP 93 Cb 0.00 -1.51 0.31 0.00 -0.64 0.00 0.00 41.12 39.28 1ajw n ASP 93 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ajw n LEU 94 N 10.50 2.25 0.07 0.64 4.77 -1.26 -4.24 117.00 129.73 1ajw n LEU 94 Ca 0.48 -0.75 -0.04 0.00 -0.03 0.00 0.00 56.01 55.66 1ajw n LEU 94 Cb 0.44 -0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.68 1ajw n LEU 94 CO 0.84 0.38 0.55 -0.33 -1.33 0.00 0.00 177.39 177.50 1ajw h GLU 95 N 3.54 0.29 -0.02 3.23 5.08 -1.95 -2.89 114.58 121.85 1ajw h GLU 95 Ca 0.00 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1ajw h GLU 95 Cb 0.75 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1ajw h GLU 95 CO 0.00 0.73 0.13 0.77 -1.00 0.00 0.00 179.01 179.64 1ajw h SER 96 N 0.23 0.00 -0.84 1.42 0.02 -1.94 -2.20 113.55 110.24 1ajw h SER 96 Ca 0.01 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1ajw h SER 96 Cb 0.97 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.44 1ajw h SER 96 CO 0.08 0.00 0.49 -0.26 -1.14 0.00 0.00 176.83 176.00 1ajw h PHE 97 N 0.00 0.88 0.00 3.45 -1.00 -1.81 0.12 116.94 118.58 1ajw h PHE 97 Ca 0.01 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 1ajw h PHE 97 Cb 0.27 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 39.56 1ajw h PHE 97 CO 0.00 0.37 -0.11 0.87 -1.61 0.00 0.00 178.31 177.83 1ajw h LYS 98 N 0.82 0.00 -1.80 1.51 1.57 -1.62 -2.95 116.57 114.10 1ajw h LYS 98 Ca 0.40 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.54 1ajw h LYS 98 Cb 0.35 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.28 1ajw h LYS 98 CO -0.24 0.11 -0.27 1.17 -0.57 0.00 0.00 179.45 179.65 1ajw n LYS 99 N -3.86 3.40 -1.07 3.15 3.00 0.37 -4.63 118.16 118.52 1ajw n LYS 99 Ca -0.02 -4.40 -0.06 0.00 -0.00 0.00 0.00 58.31 53.82 1ajw n LYS 99 Cb 0.21 -2.27 -0.06 0.00 0.00 0.00 0.00 35.03 32.91 1ajw n LYS 99 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1ajw n GLN 100 N -0.42 0.02 -1.68 1.64 6.02 -1.01 -4.97 117.38 116.98 1ajw n GLN 100 Ca 0.41 -1.09 -0.47 0.00 -0.01 0.00 0.00 57.00 55.84 1ajw n GLN 100 Cb 0.50 0.45 -0.04 0.00 1.02 0.00 0.00 30.24 32.17 1ajw n GLN 100 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1ajw n SER 101 N 0.02 3.52 -4.66 1.08 3.41 -1.26 -4.91 113.62 110.82 1ajw n SER 101 Ca -0.25 0.98 -0.41 0.00 -0.26 0.00 0.00 58.87 58.93 1ajw n SER 101 Cb 0.74 -1.40 -0.04 0.00 -0.26 0.00 0.00 64.21 63.24 1ajw n SER 101 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ajw s PHE 102 N 3.67 3.39 0.69 7.33 0.08 -1.24 -4.54 117.98 127.35 1ajw s PHE 102 Ca 0.90 1.18 -0.16 0.00 0.12 0.00 0.00 56.93 58.97 1ajw s PHE 102 Cb -0.65 -2.99 0.02 0.00 -0.57 0.00 0.00 43.02 38.82 1ajw s PHE 102 CO 0.48 -0.27 1.21 0.08 -0.10 0.00 0.00 175.22 176.63 1ajw s VAL 103 N 2.28 2.38 -0.21 -0.44 1.01 -1.24 -1.78 120.40 122.39 1ajw s VAL 103 Ca 0.36 0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.43 1ajw s VAL 103 Cb -0.16 -2.86 0.07 0.00 0.00 0.00 0.00 36.38 33.43 1ajw s VAL 103 CO 0.11 -0.08 0.51 -0.22 0.00 0.00 0.00 175.10 175.41 1ajw s LEU 104 N -4.83 -0.48 0.55 3.92 0.20 0.30 -4.85 118.68 113.48 1ajw s LEU 104 Ca 0.76 1.13 -0.22 0.00 0.69 0.00 0.00 54.13 56.49 1ajw s LEU 104 Cb -0.30 1.70 -0.05 0.00 -0.43 0.00 0.00 46.19 47.11 1ajw s LEU 104 CO 0.42 -0.21 1.36 -0.75 -0.29 0.00 0.00 176.35 176.88 1ajw s LYS 105 N 1.73 3.14 0.17 1.98 2.20 -1.26 0.12 119.74 127.82 1ajw s LYS 105 Ca -0.08 2.24 -0.32 0.00 -0.36 0.00 0.00 55.97 57.45 1ajw s LYS 105 Cb -0.08 -2.26 -0.11 0.00 -1.51 0.00 0.00 37.83 33.87 1ajw s LYS 105 CO -0.15 -1.19 1.72 -1.21 -0.36 0.00 0.00 175.35 174.16 1ajw s GLU 106 N -2.91 4.15 -1.04 4.03 0.41 0.16 -3.18 118.70 120.32 1ajw s GLU 106 Ca 0.72 2.55 -0.07 0.00 -0.41 0.00 0.00 54.97 57.76 1ajw s GLU 106 Cb -0.41 -3.24 0.01 0.00 -1.78 0.00 0.00 34.13 28.71 1ajw s GLU 106 CO 0.48 -0.75 0.91 0.41 -0.49 0.00 0.00 175.26 175.82 1ajw n GLY 107 N 4.01 -0.20 3.95 -1.39 0.00 -1.17 -4.77 105.19 105.62 1ajw n GLY 107 Ca 0.16 0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1ajw n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ajw s VAL 108 N -3.25 2.03 -0.40 1.61 -7.23 -1.19 -4.71 120.40 107.26 1ajw s VAL 108 Ca 0.43 -0.17 0.04 0.00 -1.81 0.00 0.00 61.98 60.47 1ajw s VAL 108 Cb -0.19 -2.86 0.11 0.00 0.56 0.00 0.00 36.38 34.00 1ajw s VAL 108 CO 0.56 0.00 0.13 -0.70 -0.31 0.00 0.00 175.10 174.78 1ajw s GLU 109 N -5.68 1.64 0.24 4.82 2.12 -1.26 -2.83 118.70 117.75 1ajw s GLU 109 Ca 0.72 -2.13 0.11 0.00 0.36 0.00 0.00 54.97 54.03 1ajw s GLU 109 Cb -0.04 -3.22 -0.05 0.00 0.26 0.00 0.00 34.13 31.08 1ajw s GLU 109 CO 0.51 -1.00 -0.19 1.52 -0.54 0.00 0.00 175.26 175.56 1ajw s TYR 110 N 0.48 2.36 0.23 5.30 -0.85 -1.18 -4.51 117.35 119.19 1ajw s TYR 110 Ca 0.13 -0.32 0.10 0.00 -0.52 0.00 0.00 57.07 56.46 1ajw s TYR 110 Cb -0.21 -1.08 -0.04 0.00 0.38 0.00 0.00 41.96 41.00 1ajw s TYR 110 CO -0.05 0.62 -0.13 0.50 -1.52 0.00 0.00 175.55 174.97 1ajw s ARG 111 N -3.18 1.91 0.19 -3.49 3.52 -1.07 0.36 118.95 117.20 1ajw s ARG 111 Ca 0.26 -1.49 0.10 0.00 -0.13 0.00 0.00 55.73 54.47 1ajw s ARG 111 Cb -0.06 -1.99 -0.04 0.00 -1.56 0.00 0.00 34.95 31.29 1ajw s ARG 111 CO 0.14 0.38 -0.14 0.42 -0.81 0.00 0.00 175.30 175.28 1ajw s ILE 112 N -2.07 2.89 -0.05 4.11 1.01 -1.22 -3.07 121.20 122.79 1ajw s ILE 112 Ca 0.27 -1.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.08 1ajw s ILE 112 Cb -0.07 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 40.00 1ajw s ILE 112 CO 0.15 -0.14 0.03 -0.75 0.00 0.00 0.00 174.94 174.23 1ajw s LYS 113 N -2.85 0.26 0.03 2.79 2.20 -0.68 -1.17 119.74 120.32 1ajw s LYS 113 Ca 0.24 0.21 0.02 0.00 -0.36 0.00 0.00 55.97 56.08 1ajw s LYS 113 Cb -0.08 -0.67 -0.04 0.00 -1.51 0.00 0.00 37.83 35.53 1ajw s LYS 113 CO 0.14 -0.28 0.04 0.42 -0.36 0.00 0.00 175.35 175.31 1ajw s ILE 114 N 1.84 4.37 -0.04 5.43 -1.09 1.00 -1.05 121.20 131.65 1ajw s ILE 114 Ca 0.02 -0.66 0.04 0.00 -2.23 0.00 0.00 60.65 57.82 1ajw s ILE 114 Cb -0.12 -3.02 -0.00 0.00 -1.58 0.00 0.00 42.46 37.73 1ajw s ILE 114 CO -0.04 0.26 -0.15 -0.44 -1.23 0.00 0.00 174.94 173.35 1ajw s SER 115 N -1.94 1.95 -0.15 3.58 0.01 -0.83 0.45 113.70 116.76 1ajw s SER 115 Ca 0.24 -0.32 -0.16 0.00 1.31 0.00 0.00 55.95 57.03 1ajw s SER 115 Cb -0.12 -0.58 0.04 0.00 0.21 0.00 0.00 66.02 65.58 1ajw s SER 115 CO 0.15 0.12 0.44 0.72 0.41 0.00 0.00 173.24 175.08 1ajw s PHE 116 N 0.13 -0.47 0.13 2.43 -0.71 -1.20 -0.74 117.98 117.56 1ajw s PHE 116 Ca -0.05 1.12 -0.18 0.00 -1.04 0.00 0.00 56.93 56.78 1ajw s PHE 116 Cb -0.11 0.17 -0.07 0.00 -1.21 0.00 0.00 43.02 41.79 1ajw s PHE 116 CO 0.02 -0.25 0.61 1.03 -1.34 0.00 0.00 175.22 175.29 1ajw s ARG 117 N 0.11 4.18 -0.35 1.99 0.52 -1.20 0.12 118.95 124.31 1ajw s ARG 117 Ca -0.01 0.73 -0.00 0.00 -0.52 0.00 0.00 55.73 55.93 1ajw s ARG 117 Cb -0.03 -3.08 0.12 0.00 0.52 0.00 0.00 34.95 32.48 1ajw s ARG 117 CO 0.01 0.54 0.16 0.08 0.02 0.00 0.00 175.30 176.11 1ajw s VAL 118 N -1.30 0.87 -0.36 3.52 1.01 -1.20 -3.69 120.40 119.25 1ajw s VAL 118 Ca 0.35 -1.75 0.12 0.00 0.00 0.00 0.00 61.98 60.69 1ajw s VAL 118 Cb -0.18 -1.64 0.45 0.00 0.00 0.00 0.00 36.38 35.01 1ajw s VAL 118 CO 0.20 -0.79 1.06 -3.20 0.00 0.00 0.00 175.10 172.36 1ajw n ASN 119 N 4.36 3.20 0.05 3.32 5.15 -1.20 -2.98 115.26 127.16 1ajw n ASN 119 Ca 0.03 -3.19 0.00 0.00 -0.60 0.00 0.00 54.58 50.82 1ajw n ASN 119 Cb 0.39 -0.48 0.00 0.00 -0.53 0.00 0.00 39.78 39.16 1ajw n ASN 119 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1ajw n ARG 120 N -0.35 0.00 -4.20 1.20 0.63 -1.26 -4.89 116.66 107.79 1ajw n ARG 120 Ca 0.25 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 57.01 1ajw n ARG 120 Cb 0.76 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.60 1ajw n ARG 120 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1ajw s GLU 121 N -1.29 1.76 -0.54 -0.14 2.02 -1.26 -4.79 118.70 114.46 1ajw s GLU 121 Ca 0.00 -1.88 -0.28 0.00 0.02 0.00 0.00 54.97 52.82 1ajw s GLU 121 Cb 0.00 0.37 0.03 0.00 0.10 0.00 0.00 34.13 34.63 1ajw s GLU 121 CO 0.00 -0.68 1.16 0.42 0.02 0.00 0.00 175.26 176.18 1ajw s ILE 122 N -3.37 4.10 -1.10 -1.63 1.09 -1.26 -3.53 121.20 115.50 1ajw s ILE 122 Ca 0.37 1.03 -0.12 0.00 -1.10 0.00 0.00 60.65 60.83 1ajw s ILE 122 Cb 0.02 -4.67 0.23 0.00 -1.06 0.00 0.00 42.46 36.97 1ajw s ILE 122 CO 0.23 -1.20 1.18 -0.69 -0.10 0.00 0.00 174.94 174.37 1ajw s VAL 123 N 4.72 5.56 -0.39 2.92 1.01 -0.71 -4.94 120.40 128.58 1ajw s VAL 123 Ca 0.45 -2.93 -0.25 0.00 0.00 0.00 0.00 61.98 59.24 1ajw s VAL 123 Cb -0.07 -4.70 0.02 0.00 0.00 0.00 0.00 36.38 31.62 1ajw s VAL 123 CO 0.28 -1.33 0.91 -0.94 0.00 0.00 0.00 175.10 174.02 1ajw s SER 124 N 2.07 6.62 0.00 3.32 1.04 -1.26 -3.10 113.70 122.39 1ajw s SER 124 Ca 0.33 0.45 0.00 0.00 0.48 0.00 0.00 55.95 57.22 1ajw s SER 124 Cb -0.07 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1ajw s SER 124 CO -0.06 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1ajw n GLY 125 N 4.52 1.29 3.79 7.32 0.00 -1.26 -4.22 105.19 116.63 1ajw n GLY 125 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1ajw n GLY 125 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ajw s MET 126 N -0.00 4.49 -0.04 1.61 1.75 -1.18 -2.93 119.30 122.99 1ajw s MET 126 Ca 0.00 1.32 -0.05 0.00 -1.25 0.00 0.00 55.69 55.71 1ajw s MET 126 Cb 0.00 -2.69 0.01 0.00 2.84 0.00 0.00 34.83 34.99 1ajw s MET 126 CO 0.00 0.19 0.13 0.15 -0.65 0.00 0.00 175.02 174.85 1ajw s LYS 127 N -2.26 0.20 -0.35 4.11 1.02 -1.09 -0.95 119.74 120.42 1ajw s LYS 127 Ca 0.53 0.11 -0.07 0.00 0.02 0.00 0.00 55.97 56.56 1ajw s LYS 127 Cb -0.18 0.09 0.05 0.00 -0.52 0.00 0.00 37.83 37.27 1ajw s LYS 127 CO 0.23 -0.03 0.13 -0.47 -0.92 0.00 0.00 175.35 174.29 1ajw s TYR 128 N -0.11 3.28 0.33 3.18 5.04 0.28 -3.19 117.35 126.16 1ajw s TYR 128 Ca -0.02 -1.44 0.03 0.00 -2.44 0.00 0.00 57.07 53.20 1ajw s TYR 128 Cb -0.02 -2.40 -0.02 0.00 0.35 0.00 0.00 41.96 39.87 1ajw s TYR 128 CO 0.00 -0.75 0.50 0.42 -1.34 0.00 0.00 175.55 174.39 1ajw s ILE 129 N 1.41 4.83 -0.29 3.14 1.01 -0.94 -1.21 121.20 129.14 1ajw s ILE 129 Ca -0.01 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 59.86 1ajw s ILE 129 Cb -0.20 -3.74 0.13 0.00 0.01 0.00 0.00 42.46 38.67 1ajw s ILE 129 CO 0.03 -0.40 0.63 -1.58 0.00 0.00 0.00 174.94 173.61 1ajw s GLN 130 N -4.24 0.56 -0.13 2.79 0.74 -0.19 -2.27 119.66 116.92 1ajw s GLN 130 Ca 0.40 1.37 -0.04 0.00 0.05 0.00 0.00 55.36 57.15 1ajw s GLN 130 Cb -0.09 0.80 -0.03 0.00 1.10 0.00 0.00 33.01 34.78 1ajw s GLN 130 CO 0.34 -0.25 0.01 -1.01 -0.55 0.00 0.00 175.29 173.83 1ajw s HIS 131 N 2.87 3.16 -0.38 1.67 3.76 0.29 -1.22 115.29 125.45 1ajw s HIS 131 Ca -0.03 0.04 -0.21 0.00 -0.15 0.00 0.00 55.06 54.71 1ajw s HIS 131 Cb -0.12 -1.91 0.01 0.00 1.11 0.00 0.00 32.58 31.66 1ajw s HIS 131 CO -0.19 0.26 0.68 0.99 -0.85 0.00 0.00 174.74 175.64 1ajw s THR 132 N -0.23 4.83 -0.23 1.30 2.01 0.19 0.36 115.64 123.86 1ajw s THR 132 Ca 0.06 0.55 -0.04 0.00 0.31 0.00 0.00 61.69 62.57 1ajw s THR 132 Cb -0.12 -4.15 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 1ajw s THR 132 CO 0.02 -0.42 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.19 1ajw s TYR 133 N 2.86 2.99 -0.10 4.92 2.02 0.27 -1.29 117.35 129.02 1ajw s TYR 133 Ca 0.26 -0.93 0.04 0.00 -0.37 0.00 0.00 57.07 56.06 1ajw s TYR 133 Cb -0.14 -2.12 0.00 0.00 -0.40 0.00 0.00 41.96 39.30 1ajw s TYR 133 CO 0.17 -0.55 -0.22 0.50 -1.57 0.00 0.00 175.55 173.88 1ajw s ARG 134 N 1.48 2.91 -1.52 -0.62 3.52 0.11 -1.08 118.95 123.75 1ajw s ARG 134 Ca 0.05 -0.83 -0.13 0.00 -0.13 0.00 0.00 55.73 54.69 1ajw s ARG 134 Cb -0.15 -2.23 0.09 0.00 -1.56 0.00 0.00 34.95 31.10 1ajw s ARG 134 CO -0.02 0.13 0.90 1.63 -0.81 0.00 0.00 175.30 177.13 1ajw n LYS 135 N 3.64 -5.10 -2.26 5.12 4.76 -1.26 -0.36 118.16 122.70 1ajw n LYS 135 Ca -0.19 0.58 -0.12 0.00 -2.87 0.00 0.00 58.31 55.71 1ajw n LYS 135 Cb 0.53 -5.45 -0.00 0.00 -1.84 0.00 0.00 35.03 28.27 1ajw n LYS 135 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ajw n GLY 136 N -1.61 -0.10 2.81 0.72 0.00 -1.26 -5.00 105.19 100.75 1ajw n GLY 136 Ca 0.03 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 1ajw n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ajw s VAL 137 N -2.61 -0.25 0.23 1.61 1.01 0.51 -5.14 120.40 115.77 1ajw s VAL 137 Ca 0.01 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 1ajw s VAL 137 Cb -0.01 -0.30 -0.09 0.00 0.00 0.00 0.00 36.38 35.98 1ajw s VAL 137 CO 0.02 0.13 1.03 -0.75 0.00 0.00 0.00 175.10 175.52 1ajw s LYS 138 N 2.28 4.72 -0.02 2.72 2.36 -1.26 0.06 119.74 130.60 1ajw s LYS 138 Ca 0.03 1.64 0.03 0.00 -2.55 0.00 0.00 55.97 55.12 1ajw s LYS 138 Cb -0.12 -3.25 -0.04 0.00 -1.05 0.00 0.00 37.83 33.36 1ajw s LYS 138 CO -0.06 0.31 0.03 0.44 1.55 0.00 0.00 175.35 177.63 1ajw n ILE 139 N 1.63 0.15 -3.61 5.43 -0.00 -0.41 -4.93 119.36 117.63 1ajw n ILE 139 Ca -0.01 -0.12 -0.09 0.00 -0.00 0.00 0.00 62.75 62.53 1ajw n ILE 139 Cb 0.46 -0.50 -0.06 0.00 -0.00 0.00 0.00 39.64 39.55 1ajw n ILE 139 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1ajw s ASP 140 N -3.09 -0.36 -0.03 7.28 2.15 -1.25 -5.02 116.67 116.35 1ajw s ASP 140 Ca -0.02 0.56 -0.03 0.00 0.43 0.00 0.00 52.55 53.50 1ajw s ASP 140 Cb 0.01 0.52 0.01 0.00 -0.30 0.00 0.00 42.92 43.16 1ajw s ASP 140 CO 0.14 -0.22 0.09 -1.59 -0.17 0.00 0.00 175.17 173.41 1ajw s LYS 141 N -0.45 0.10 0.28 4.34 0.00 -1.26 0.55 119.74 123.31 1ajw s LYS 141 Ca 0.02 0.12 0.11 0.00 0.00 0.00 0.00 55.97 56.22 1ajw s LYS 141 Cb -0.03 0.05 -0.05 0.00 0.00 0.00 0.00 37.83 37.80 1ajw s LYS 141 CO -0.03 -0.01 -0.18 0.99 0.00 0.00 0.00 175.35 176.11 1ajw s THR 142 N 0.06 2.38 -0.58 3.79 2.01 -0.36 -4.94 115.64 118.01 1ajw s THR 142 Ca -0.00 -2.36 0.06 0.00 0.31 0.00 0.00 61.69 59.69 1ajw s THR 142 Cb -0.01 -2.34 0.22 0.00 0.01 0.00 0.00 72.50 70.39 1ajw s THR 142 CO 0.00 -0.38 0.59 -0.90 -0.69 0.00 0.00 174.62 173.24 1ajw n ASP 143 N -0.63 2.39 -4.77 3.53 5.75 -1.26 -1.02 116.55 120.54 1ajw n ASP 143 Ca -0.05 -3.12 -0.40 0.00 -0.01 0.00 0.00 54.79 51.21 1ajw n ASP 143 Cb 0.61 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 1ajw n ASP 143 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1ajw s TYR 144 N -1.67 2.67 -0.21 2.11 2.02 -0.35 -4.75 117.35 117.17 1ajw s TYR 144 Ca 0.34 1.30 -0.16 0.00 -0.37 0.00 0.00 57.07 58.18 1ajw s TYR 144 Cb 0.09 -3.84 -0.04 0.00 -0.40 0.00 0.00 41.96 37.77 1ajw s TYR 144 CO -0.09 -2.57 0.40 1.41 -1.57 0.00 0.00 175.55 173.13 1ajw s MET 145 N -2.21 4.15 -0.10 -0.62 -2.45 -1.26 1.00 119.30 117.80 1ajw s MET 145 Ca 0.56 0.19 -0.04 0.00 -1.25 0.00 0.00 55.69 55.15 1ajw s MET 145 Cb -0.42 -3.56 -0.03 0.00 1.25 0.00 0.00 34.83 32.07 1ajw s MET 145 CO 0.55 -0.09 0.11 0.28 1.05 0.00 0.00 175.02 176.92 1ajw h VAL 146 N 5.10 0.20 0.00 10.11 2.07 -1.37 -3.46 116.25 128.90 1ajw h VAL 146 Ca -0.35 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1ajw h VAL 146 Cb 1.16 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1ajw h VAL 146 CO 0.71 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.98 1ajw n GLY 147 N 1.72 1.94 3.84 2.17 0.00 -1.17 -4.99 105.19 108.70 1ajw n GLY 147 Ca -0.01 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 1ajw n GLY 147 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ajw s SER 148 N 0.00 6.86 -0.09 1.61 1.04 -1.26 -3.11 113.70 118.74 1ajw s SER 148 Ca 0.00 1.29 -0.07 0.00 0.48 0.00 0.00 55.95 57.66 1ajw s SER 148 Cb 0.00 -2.38 0.03 0.00 0.10 0.00 0.00 66.02 63.78 1ajw s SER 148 CO 0.00 -0.10 0.23 -0.31 0.98 0.00 0.00 173.24 174.04 1ajw s TYR 149 N -1.79 -0.28 0.48 5.02 2.02 -1.18 -4.95 117.35 116.67 1ajw s TYR 149 Ca 0.49 0.68 -0.04 0.00 -0.37 0.00 0.00 57.07 57.82 1ajw s TYR 149 Cb -0.13 0.06 -0.03 0.00 -0.40 0.00 0.00 41.96 41.47 1ajw s TYR 149 CO 0.19 -0.17 0.77 0.20 -1.57 0.00 0.00 175.55 174.97 1ajw s GLY 150 N 0.61 1.50 -1.16 0.71 0.00 -1.26 -1.73 107.32 105.98 1ajw s GLY 150 Ca -0.04 -0.62 -0.10 0.00 0.00 0.00 0.00 44.72 43.95 1ajw s GLY 150 CO -0.03 -0.45 2.34 -1.55 0.00 0.00 0.00 173.10 173.41 1ajw n PRO 151 N -2.24 2.56 -2.68 2.90 -0.04 -1.23 -4.09 135.00 130.18 1ajw n PRO 151 Ca 0.01 -1.86 -0.05 0.00 -0.04 0.00 0.00 63.50 61.56 1ajw n PRO 151 Cb 0.56 -2.71 0.07 0.00 -0.04 0.00 0.00 33.50 31.37 1ajw n PRO 151 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1ajw n ARG 152 N 4.64 0.53 -0.68 0.54 1.85 -1.16 -4.64 116.66 117.74 1ajw n ARG 152 Ca 0.56 -1.15 -0.01 0.00 -1.00 0.00 0.00 57.85 56.25 1ajw n ARG 152 Cb 0.23 -0.22 -0.02 0.00 -1.05 0.00 0.00 32.46 31.40 1ajw n ARG 152 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ajw n ALA 153 N -0.12 2.46 -0.02 2.89 0.00 -1.26 -5.14 120.51 119.32 1ajw n ALA 153 Ca -0.11 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1ajw n ALA 153 Cb 0.73 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1ajw n ALA 153 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ajw n GLU 154 N 0.03 0.00 -2.00 0.00 0.00 -1.26 -4.15 120.64 113.26 1ajw n GLU 154 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.67 1ajw n GLU 154 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 32.03 1ajw n GLU 154 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1ajw s GLU 155 N 0.00 3.71 0.39 3.44 2.02 -1.26 -3.23 118.70 123.78 1ajw s GLU 155 Ca 0.00 1.78 -0.07 0.00 0.02 0.00 0.00 54.97 56.71 1ajw s GLU 155 Cb 0.00 -4.10 0.09 0.00 0.10 0.00 0.00 34.13 30.22 1ajw s GLU 155 CO 0.00 -1.41 0.40 0.66 0.02 0.00 0.00 175.26 174.94 1ajw n TYR 156 N 8.90 -3.54 -3.17 1.61 4.01 0.31 -4.66 117.16 120.63 1ajw n TYR 156 Ca 0.21 -0.36 -0.16 0.00 -0.16 0.00 0.00 57.90 57.42 1ajw n TYR 156 Cb 0.45 -0.38 -0.06 0.00 -0.31 0.00 0.00 39.34 39.05 1ajw n TYR 156 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1ajw s GLU 157 N -3.90 0.90 0.64 -0.72 4.04 -1.25 -3.24 118.70 115.17 1ajw s GLU 157 Ca 0.25 -1.44 -0.10 0.00 0.04 0.00 0.00 54.97 53.71 1ajw s GLU 157 Cb -0.02 -0.77 -0.02 0.00 0.02 0.00 0.00 34.13 33.35 1ajw s GLU 157 CO 0.18 -1.32 1.03 0.12 -1.84 0.00 0.00 175.26 173.43 1ajw s PHE 158 N 0.68 3.49 -0.19 4.83 5.36 0.17 -4.82 117.98 127.49 1ajw s PHE 158 Ca 0.28 1.12 -0.05 0.00 -0.96 0.00 0.00 56.93 57.32 1ajw s PHE 158 Cb -0.02 -2.82 0.09 0.00 -0.34 0.00 0.00 43.02 39.93 1ajw s PHE 158 CO -0.11 -0.85 0.37 -0.51 -1.46 0.00 0.00 175.22 172.66 1ajw s LEU 159 N -5.20 -0.55 0.54 6.12 1.43 -1.26 -0.00 118.68 119.76 1ajw s LEU 159 Ca 0.56 0.70 -0.13 0.00 -1.03 0.00 0.00 54.13 54.22 1ajw s LEU 159 Cb -0.11 1.12 -0.06 0.00 0.03 0.00 0.00 46.19 47.17 1ajw s LEU 159 CO 0.52 -0.25 0.97 0.42 0.23 0.00 0.00 176.35 178.23 1ajw s THR 160 N 2.55 4.64 1.00 5.49 -4.23 -0.32 -4.94 115.64 119.83 1ajw s THR 160 Ca 0.02 0.98 -0.12 0.00 -1.18 0.00 0.00 61.69 61.40 1ajw s THR 160 Cb -0.13 -3.78 0.19 0.00 1.34 0.00 0.00 72.50 70.12 1ajw s THR 160 CO -0.12 -0.84 1.08 -2.16 -0.54 0.00 0.00 174.62 172.04 1ajw s PRO 161 N -4.47 0.37 0.28 3.99 0.04 -1.26 -3.42 135.00 130.53 1ajw s PRO 161 Ca 0.56 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 1ajw s PRO 161 Cb -0.10 -1.70 -0.12 0.00 0.04 0.00 0.00 34.50 32.61 1ajw s PRO 161 CO 0.40 -2.87 1.48 0.00 0.04 0.00 0.00 177.00 176.04 1ajw n MET 162 N -4.33 2.34 -4.43 4.56 0.00 -1.26 -4.48 117.12 109.53 1ajw n MET 162 Ca 0.06 0.83 -0.25 0.00 0.00 0.00 0.00 57.70 58.34 1ajw n MET 162 Cb 0.55 -2.54 -0.17 0.00 0.00 0.00 0.00 33.22 31.06 1ajw n MET 162 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1ajw s GLU 163 N -0.66 1.70 0.24 3.17 2.12 0.16 -4.92 118.70 120.51 1ajw s GLU 163 Ca 0.65 -0.39 -0.30 0.00 0.36 0.00 0.00 54.97 55.29 1ajw s GLU 163 Cb -0.57 -1.48 -0.09 0.00 0.26 0.00 0.00 34.13 32.25 1ajw s GLU 163 CO 0.51 -0.04 0.96 -1.83 -0.54 0.00 0.00 175.26 174.32 1ajw s GLU 164 N 0.91 4.82 0.66 4.30 -1.05 -1.26 -3.09 118.70 123.99 1ajw s GLU 164 Ca -0.10 1.53 -0.04 0.00 -0.15 0.00 0.00 54.97 56.22 1ajw s GLU 164 Cb -0.15 -3.27 0.06 0.00 -0.44 0.00 0.00 34.13 30.32 1ajw s GLU 164 CO 0.01 0.46 0.94 0.00 0.95 0.00 0.00 175.26 177.61 1ajw s ALA 165 N -1.10 3.42 0.15 -0.84 0.00 -1.13 -4.94 121.76 117.32 1ajw s ALA 165 Ca 0.42 -1.11 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 1ajw s ALA 165 Cb -0.27 -2.39 -0.08 0.00 0.00 0.00 0.00 23.12 20.38 1ajw s ALA 165 CO 0.33 -1.14 1.27 -1.25 0.00 0.00 0.00 175.76 174.97 1ajw s PRO 166 N -5.09 4.41 0.10 0.00 0.04 -1.26 -3.37 135.00 129.84 1ajw s PRO 166 Ca 0.60 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1ajw s PRO 166 Cb -0.10 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1ajw s PRO 166 CO 0.43 -0.24 0.03 0.36 0.04 0.00 0.00 177.00 177.61 1ajw n LYS 167 N 3.14 1.62 0.00 4.56 -0.00 -1.26 -3.03 118.16 123.19 1ajw n LYS 167 Ca 0.07 -0.69 0.00 0.00 -0.00 0.00 0.00 58.31 57.69 1ajw n LYS 167 Cb 0.44 0.15 0.00 0.00 -0.00 0.00 0.00 35.03 35.62 1ajw n LYS 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ajw n GLY 168 N 3.81 0.06 0.09 2.58 0.00 -1.26 -4.29 105.19 106.18 1ajw n GLY 168 Ca -0.03 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.71 1ajw n GLY 168 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ajw n MET 169 N 0.00 0.58 0.11 1.61 1.56 -1.26 -4.55 117.12 115.17 1ajw n MET 169 Ca 0.00 0.09 0.06 0.00 -0.27 0.00 0.00 57.70 57.58 1ajw n MET 169 Cb 0.00 -1.35 0.01 0.00 2.15 0.00 0.00 33.22 34.02 1ajw n MET 169 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 1ajw h LEU 170 N 0.00 0.00 -2.25 -0.89 6.46 -2.02 -3.31 115.31 113.30 1ajw h LEU 170 Ca -0.39 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.40 1ajw h LEU 170 Cb 1.64 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.56 1ajw h LEU 170 CO -0.05 0.27 0.25 0.00 -0.62 0.00 0.00 178.44 178.28 1ajw h ALA 171 N 1.73 1.49 -2.98 1.25 0.00 -1.80 -3.42 119.26 115.53 1ajw h ALA 171 Ca -0.05 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.31 1ajw h ALA 171 Cb 1.25 0.01 0.13 0.00 0.00 0.00 0.00 17.79 19.18 1ajw h ALA 171 CO 0.03 -0.30 0.56 1.03 0.00 0.00 0.00 179.25 180.57 1ajw s ARG 172 N -4.31 3.07 0.00 0.00 0.52 -1.25 -4.81 118.95 112.16 1ajw s ARG 172 Ca -0.04 2.09 0.00 0.00 -0.52 0.00 0.00 55.73 57.26 1ajw s ARG 172 Cb 0.12 -2.15 0.00 0.00 0.52 0.00 0.00 34.95 33.44 1ajw s ARG 172 CO 0.41 -1.20 0.00 0.41 0.02 0.00 0.00 175.30 174.93 1ajw n GLY 173 N 0.70 0.94 3.82 -3.53 0.00 -1.19 -4.89 105.19 101.04 1ajw n GLY 173 Ca 0.12 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 1ajw n GLY 173 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ajw s SER 174 N -3.22 6.57 -0.27 1.61 1.04 -1.26 0.67 113.70 118.84 1ajw s SER 174 Ca 0.00 0.67 0.03 0.00 0.48 0.00 0.00 55.95 57.13 1ajw s SER 174 Cb 0.00 -2.17 0.06 0.00 0.10 0.00 0.00 66.02 64.01 1ajw s SER 174 CO 0.00 0.29 -0.09 -0.31 0.98 0.00 0.00 173.24 174.11 1ajw s TYR 175 N -0.61 3.28 0.11 5.02 1.51 0.15 -4.71 117.35 122.11 1ajw s TYR 175 Ca 0.19 -2.38 -0.30 0.00 -1.01 0.00 0.00 57.07 53.56 1ajw s TYR 175 Cb -0.14 -2.03 -0.07 0.00 -0.11 0.00 0.00 41.96 39.61 1ajw s TYR 175 CO 0.08 -0.88 1.23 1.21 -1.11 0.00 0.00 175.55 176.08 1ajw s ASN 176 N 1.09 7.03 0.09 2.29 3.04 -0.24 -0.32 114.94 127.93 1ajw s ASN 176 Ca -0.06 2.15 0.10 0.00 0.04 0.00 0.00 52.86 55.08 1ajw s ASN 176 Cb -0.20 -2.59 -0.03 0.00 -1.54 0.00 0.00 41.25 36.89 1ajw s ASN 176 CO -0.05 -0.47 -0.25 -0.63 -3.04 0.00 0.00 177.10 172.65 1ajw s ILE 177 N 0.69 2.08 -0.31 -5.21 1.01 -0.25 0.94 121.20 120.15 1ajw s ILE 177 Ca 0.58 -1.57 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 1ajw s ILE 177 Cb -0.32 -1.83 0.04 0.00 0.01 0.00 0.00 42.46 40.36 1ajw s ILE 177 CO 0.32 0.15 0.04 -0.75 0.00 0.00 0.00 174.94 174.70 1ajw s LYS 178 N -1.73 2.61 -0.22 2.79 2.20 0.16 -2.72 119.74 122.82 1ajw s LYS 178 Ca 0.12 -1.16 -0.08 0.00 -0.36 0.00 0.00 55.97 54.48 1ajw s LYS 178 Cb -0.10 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 1ajw s LYS 178 CO 0.04 -0.60 0.10 -1.12 -0.36 0.00 0.00 175.35 173.41 1ajw s SER 179 N 1.34 5.61 -0.26 1.43 0.01 -1.19 0.11 113.70 120.74 1ajw s SER 179 Ca -0.03 -0.01 -0.03 0.00 1.31 0.00 0.00 55.95 57.20 1ajw s SER 179 Cb -0.19 -1.99 0.03 0.00 0.21 0.00 0.00 66.02 64.07 1ajw s SER 179 CO 0.00 0.07 -0.03 -0.60 0.41 0.00 0.00 173.24 173.09 1ajw s ARG 180 N 1.02 2.83 -0.16 12.44 3.52 -0.96 -2.65 118.95 134.99 1ajw s ARG 180 Ca 0.05 -0.99 -0.14 0.00 -0.13 0.00 0.00 55.73 54.52 1ajw s ARG 180 Cb -0.14 -3.08 -0.05 0.00 -1.56 0.00 0.00 34.95 30.13 1ajw s ARG 180 CO 0.03 -0.43 0.30 0.12 -0.81 0.00 0.00 175.30 174.51 1ajw s PHE 181 N 1.35 3.47 0.00 5.12 5.36 -1.17 -2.23 117.98 129.88 1ajw s PHE 181 Ca -0.00 0.61 0.00 0.00 -0.96 0.00 0.00 56.93 56.58 1ajw s PHE 181 Cb -0.17 -2.34 0.00 0.00 -0.34 0.00 0.00 43.02 40.17 1ajw s PHE 181 CO -0.03 0.26 0.00 -2.37 -1.46 0.00 0.00 175.22 171.62 1ajw n THR 182 N 3.50 0.00 -1.17 0.12 5.66 -1.19 -1.08 114.28 120.11 1ajw n THR 182 Ca -0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1ajw n THR 182 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1ajw n THR 182 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1ajw n ASP 183 N -0.48 0.17 -2.89 1.09 5.75 -1.26 -2.68 116.55 116.25 1ajw n ASP 183 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.48 1ajw n ASP 183 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 1ajw n ASP 183 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1ajw n ASP 184 N 0.00 7.48 -2.68 -1.12 5.75 -1.15 -4.09 116.55 120.74 1ajw n ASP 184 Ca 0.00 -2.67 -0.06 0.00 -0.01 0.00 0.00 54.79 52.05 1ajw n ASP 184 Cb 0.00 -1.47 0.11 0.00 -1.03 0.00 0.00 41.12 38.73 1ajw n ASP 184 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1ajw n ASP 185 N 2.81 -1.76 -0.59 -1.12 5.75 -1.26 -5.04 116.55 115.34 1ajw n ASP 185 Ca 0.64 -2.34 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 1ajw n ASP 185 Cb 0.46 0.96 0.00 0.00 -1.03 0.00 0.00 41.12 41.50 1ajw n ASP 185 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ajw n ARG 186 N -0.73 -0.09 -3.42 0.11 3.00 -1.26 -4.79 116.66 109.48 1ajw n ARG 186 Ca -0.07 -0.05 -0.12 0.00 -0.01 0.00 0.00 57.85 57.60 1ajw n ARG 186 Cb 0.83 0.08 -0.04 0.00 0.00 0.00 0.00 32.46 33.34 1ajw n ARG 186 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1ajw n THR 187 N -0.13 0.00 -3.84 0.55 5.66 -1.26 -5.12 114.28 110.14 1ajw n THR 187 Ca 0.00 -1.47 -0.34 0.00 -3.05 0.00 0.00 64.05 59.18 1ajw n THR 187 Cb 0.00 0.82 -0.12 0.00 -1.55 0.00 0.00 70.33 69.47 1ajw n THR 187 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1ajw s ASP 188 N -2.59 5.03 0.13 1.09 1.01 -1.26 -4.66 116.67 115.42 1ajw s ASP 188 Ca 0.24 -2.38 -0.19 0.00 0.71 0.00 0.00 52.55 50.93 1ajw s ASP 188 Cb 0.00 -1.77 -0.04 0.00 1.01 0.00 0.00 42.92 42.12 1ajw s ASP 188 CO 0.17 -0.43 1.78 0.45 0.21 0.00 0.00 175.17 177.36 1ajw h HIS 189 N 7.52 0.34 -0.46 4.23 3.86 -1.43 -3.44 115.15 125.77 1ajw h HIS 189 Ca -0.08 0.01 0.20 0.00 -1.16 0.00 0.00 60.37 59.34 1ajw h HIS 189 Cb 1.00 -0.11 -0.21 0.00 1.06 0.00 0.00 27.41 29.15 1ajw h HIS 189 CO 0.57 0.22 0.02 -1.17 0.86 0.00 0.00 177.93 178.42 1ajw s LEU 190 N -10.16 -0.66 -0.13 2.43 2.96 -1.21 -4.88 118.68 107.04 1ajw s LEU 190 Ca -0.13 0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 54.11 1ajw s LEU 190 Cb 0.09 1.52 -0.02 0.00 0.50 0.00 0.00 46.19 48.28 1ajw s LEU 190 CO 0.70 -0.12 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.94 1ajw s SER 191 N 2.93 4.14 0.00 3.68 0.15 -1.26 -3.05 113.70 120.29 1ajw s SER 191 Ca 0.07 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1ajw s SER 191 Cb -0.10 -1.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.65 1ajw s SER 191 CO -0.15 0.19 0.00 -2.67 1.20 0.00 0.00 173.24 171.80 1ajw n TRP 192 N 3.40 0.00 -3.64 3.44 2.14 -1.09 -5.01 117.44 116.68 1ajw n TRP 192 Ca -0.18 0.00 -0.04 0.00 2.07 0.00 0.00 57.50 59.36 1ajw n TRP 192 Cb 0.53 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 30.96 1ajw n TRP 192 CO 0.00 0.00 0.00 -1.83 2.07 0.00 0.00 177.69 177.93 1ajw s GLU 193 N 1.54 0.44 0.03 -2.67 -1.05 -1.26 -3.15 118.70 112.58 1ajw s GLU 193 Ca 0.00 0.73 0.03 0.00 -0.15 0.00 0.00 54.97 55.59 1ajw s GLU 193 Cb 0.00 0.10 -0.02 0.00 -0.44 0.00 0.00 34.13 33.77 1ajw s GLU 193 CO 0.00 -0.09 -0.10 1.67 0.95 0.00 0.00 175.26 177.69 1ajw s TRP 194 N 1.30 0.90 0.20 4.83 1.48 -1.10 -4.56 118.94 121.99 1ajw s TRP 194 Ca -0.08 -0.35 -0.09 0.00 -1.06 0.00 0.00 56.10 54.51 1ajw s TRP 194 Cb -0.04 -0.54 -0.07 0.00 -1.16 0.00 0.00 33.47 31.66 1ajw s TRP 194 CO -0.15 -0.01 0.51 -0.80 -4.06 0.00 0.00 176.95 172.44 1ajw s ASN 195 N -1.12 6.62 -0.26 -2.66 -0.87 -1.26 -1.09 114.94 114.30 1ajw s ASN 195 Ca -0.02 0.87 0.03 0.00 -1.57 0.00 0.00 52.86 52.17 1ajw s ASN 195 Cb -0.08 -2.21 0.06 0.00 -0.02 0.00 0.00 41.25 39.01 1ajw s ASN 195 CO 0.01 -0.02 -0.08 -0.22 -2.57 0.00 0.00 177.10 174.22 1ajw s LEU 196 N -2.66 3.40 0.18 0.60 2.96 0.56 -3.60 118.68 120.12 1ajw s LEU 196 Ca 0.45 -1.44 -0.30 0.00 -0.22 0.00 0.00 54.13 52.62 1ajw s LEU 196 Cb -0.12 -1.47 -0.07 0.00 0.50 0.00 0.00 46.19 45.02 1ajw s LEU 196 CO 0.21 -0.22 1.01 -0.89 -1.32 0.00 0.00 176.35 175.14 1ajw s THR 197 N 1.15 4.12 0.12 3.68 2.01 -0.73 -0.67 115.64 125.31 1ajw s THR 197 Ca -0.06 1.90 0.06 0.00 0.31 0.00 0.00 61.69 63.90 1ajw s THR 197 Cb -0.20 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 1ajw s THR 197 CO -0.06 0.36 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.55 1ajw s ILE 198 N -0.47 3.66 0.00 1.82 -1.09 0.21 0.11 121.20 125.44 1ajw s ILE 198 Ca 0.46 -1.23 0.00 0.00 -2.23 0.00 0.00 60.65 57.65 1ajw s ILE 198 Cb -0.26 -2.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.86 1ajw s ILE 198 CO 0.33 0.05 0.00 0.29 -1.23 0.00 0.00 174.94 174.38 1ajw n LYS 199 N 0.44 0.00 -0.00 2.79 5.02 0.32 -3.14 118.16 123.59 1ajw n LYS 199 Ca -0.12 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1ajw n LYS 199 Cb 0.53 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.54 1ajw n LYS 199 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ajw n LYS 200 N 0.00 3.63 -3.13 1.97 4.81 -1.26 0.40 118.16 124.58 1ajw n LYS 200 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 1ajw n LYS 200 Cb 0.00 -1.01 -0.03 0.00 0.02 0.00 0.00 35.03 34.01 1ajw n LYS 200 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1ajw n GLU 201 N -2.05 1.46 0.04 1.64 1.02 -1.26 -4.66 120.64 116.82 1ajw n GLU 201 Ca -0.01 -3.70 0.06 0.00 -0.02 0.00 0.00 57.16 53.50 1ajw n GLU 201 Cb 0.51 -1.82 0.28 0.00 -0.02 0.00 0.00 31.44 30.40 1ajw n GLU 201 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1ajw n TRP 202 N 0.16 0.22 -2.71 -0.32 4.27 -1.26 -3.65 117.44 114.15 1ajw n TRP 202 Ca 0.26 0.09 -0.08 0.00 -3.89 0.00 0.00 57.50 53.89 1ajw n TRP 202 Cb 0.60 -0.65 0.10 0.00 -1.36 0.00 0.00 31.31 30.00 1ajw n TRP 202 CO 0.00 0.00 0.00 1.17 -2.29 0.00 0.00 177.69 176.57 1ajw n LYS 203 N -1.71 1.17 0.00 -2.67 0.00 -1.26 -4.71 118.16 108.98 1ajw n LYS 203 Ca 0.02 -2.05 0.00 0.00 0.00 0.00 0.00 58.31 56.28 1ajw n LYS 203 Cb 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 35.03 34.82 1ajw n LYS 203 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15