#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a12 n LYS 22 N 0.00 0.00 -3.39 1.64 5.02 -1.26 -4.94 118.16 115.23 1a12 n LYS 22 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 1a12 n LYS 22 Cb 0.00 -1.19 -0.06 0.00 -0.02 0.00 0.00 35.03 33.75 1a12 n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a12 s VAL 23 N -0.04 5.21 0.45 -0.18 1.01 -1.26 -5.04 120.40 120.55 1a12 s VAL 23 Ca 0.73 0.83 -0.20 0.00 0.00 0.00 0.00 61.98 63.34 1a12 s VAL 23 Cb -1.02 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 31.50 1a12 s VAL 23 CO 0.46 0.36 0.96 -0.54 0.00 0.00 0.00 175.10 176.34 1a12 s LYS 24 N 0.46 4.16 0.36 2.72 -0.14 -1.26 -4.52 119.74 121.52 1a12 s LYS 24 Ca 0.23 1.10 0.08 0.00 -1.36 0.00 0.00 55.97 56.02 1a12 s LYS 24 Cb -0.15 -2.17 -0.04 0.00 -1.68 0.00 0.00 37.83 33.79 1a12 s LYS 24 CO 0.09 -0.09 0.16 0.14 -0.76 0.00 0.00 175.35 174.89 1a12 s VAL 25 N -2.25 2.80 0.33 3.17 -7.23 0.18 -4.93 120.40 112.47 1a12 s VAL 25 Ca 0.62 -1.68 -0.05 0.00 -1.81 0.00 0.00 61.98 59.05 1a12 s VAL 25 Cb -0.09 -2.97 0.01 0.00 0.56 0.00 0.00 36.38 33.88 1a12 s VAL 25 CO 0.17 -0.13 0.50 -0.55 -0.31 0.00 0.00 175.10 174.79 1a12 s SER 26 N -3.88 0.65 -0.02 4.85 0.15 -1.26 -4.80 113.70 109.39 1a12 s SER 26 Ca 0.39 -1.36 -0.29 0.00 0.70 0.00 0.00 55.95 55.39 1a12 s SER 26 Cb -0.01 0.67 0.09 0.00 -1.71 0.00 0.00 66.02 65.06 1a12 s SER 26 CO 0.23 -1.31 0.79 -2.28 1.20 0.00 0.00 173.24 171.87 1a12 s HIS 27 N -3.13 -0.49 -0.04 3.44 2.46 -1.26 -4.86 115.29 111.41 1a12 s HIS 27 Ca 0.28 0.62 0.31 0.00 0.47 0.00 0.00 55.06 56.74 1a12 s HIS 27 Cb -0.01 0.48 1.32 0.00 -0.13 0.00 0.00 32.58 34.24 1a12 s HIS 27 CO 0.17 -0.58 1.92 0.07 -2.47 0.00 0.00 174.74 173.86 1a12 h ARG 28 N 2.45 0.00 0.00 2.88 0.11 -1.99 -1.99 114.38 115.83 1a12 h ARG 28 Ca -0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.83 1a12 h ARG 28 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1a12 h ARG 28 CO 0.35 0.00 -0.16 -1.13 0.10 0.00 0.00 179.97 179.13 1a12 n SER 29 N -2.82 0.75 -4.76 0.08 3.41 -1.26 -4.85 113.62 104.17 1a12 n SER 29 Ca 0.01 0.45 -0.41 0.00 -0.26 0.00 0.00 58.87 58.66 1a12 n SER 29 Cb 0.26 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.66 1a12 n SER 29 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1a12 s HIS 30 N -3.11 3.08 -0.01 7.33 3.76 -0.75 -5.02 115.29 120.56 1a12 s HIS 30 Ca 0.10 1.35 -0.06 0.00 -0.15 0.00 0.00 55.06 56.30 1a12 s HIS 30 Cb 0.13 -3.68 -0.05 0.00 1.11 0.00 0.00 32.58 30.09 1a12 s HIS 30 CO 0.63 -1.93 0.24 -1.12 -0.85 0.00 0.00 174.74 171.71 1a12 s SER 31 N -0.31 6.47 0.00 1.40 0.01 -1.26 -4.99 113.70 115.03 1a12 s SER 31 Ca 0.51 0.53 0.00 0.00 1.31 0.00 0.00 55.95 58.30 1a12 s SER 31 Cb -0.39 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1a12 s SER 31 CO 0.50 0.28 0.17 0.35 0.41 0.00 0.00 173.24 174.95 1a12 n THR 32 N 1.25 0.02 -3.28 1.44 -2.24 -1.26 -4.78 114.28 105.41 1a12 n THR 32 Ca -0.13 -0.04 -0.40 0.00 -2.27 0.00 0.00 64.05 61.22 1a12 n THR 32 Cb 0.53 1.67 -0.08 0.00 -2.10 0.00 0.00 70.33 70.35 1a12 n THR 32 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1a12 s GLU 33 N -0.02 4.00 0.31 -0.78 2.56 -1.26 -4.96 118.70 118.55 1a12 s GLU 33 Ca 0.00 0.18 -0.28 0.00 0.00 0.00 0.00 54.97 54.86 1a12 s GLU 33 Cb 0.00 -3.67 -0.10 0.00 2.00 0.00 0.00 34.13 32.36 1a12 s GLU 33 CO 0.00 -0.36 1.13 -1.25 -0.56 0.00 0.00 175.26 174.22 1a12 s PRO 34 N 2.25 4.51 0.00 4.30 0.04 -1.26 -4.40 135.00 140.44 1a12 s PRO 34 Ca 0.19 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1a12 s PRO 34 Cb -0.16 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1a12 s PRO 34 CO 0.10 0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.63 1a12 n GLY 35 N 1.02 2.35 3.70 0.56 0.00 -0.02 -4.84 105.19 107.96 1a12 n GLY 35 Ca 0.00 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 1a12 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a12 s LEU 36 N 0.00 3.52 -0.17 0.99 1.43 0.49 -1.49 118.68 123.45 1a12 s LEU 36 Ca 0.00 -0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 52.87 1a12 s LEU 36 Cb 0.00 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1a12 s LEU 36 CO 0.00 0.17 0.09 -0.69 0.23 0.00 0.00 176.35 176.15 1a12 s VAL 37 N -1.33 5.05 0.07 -1.59 1.01 -1.26 -0.77 120.40 121.58 1a12 s VAL 37 Ca 0.26 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.38 1a12 s VAL 37 Cb -0.12 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1a12 s VAL 37 CO 0.19 0.50 -0.23 -0.76 0.00 0.00 0.00 175.10 174.80 1a12 s LEU 38 N -0.00 2.23 0.13 3.92 1.43 -0.14 -1.08 118.68 125.17 1a12 s LEU 38 Ca 0.07 -0.62 0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1a12 s LEU 38 Cb -0.12 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 1a12 s LEU 38 CO 0.00 0.15 -0.09 0.42 0.23 0.00 0.00 176.35 177.06 1a12 s THR 39 N -0.95 1.04 0.20 5.49 -4.23 -0.16 -0.22 115.64 116.81 1a12 s THR 39 Ca 0.09 -1.98 -0.20 0.00 -1.18 0.00 0.00 61.69 58.41 1a12 s THR 39 Cb -0.10 -1.75 0.04 0.00 1.34 0.00 0.00 72.50 72.03 1a12 s THR 39 CO 0.03 -0.75 0.59 -1.48 -0.54 0.00 0.00 174.62 172.47 1a12 s LEU 40 N -3.05 -0.22 0.00 4.79 2.34 -0.89 0.10 118.68 121.75 1a12 s LEU 40 Ca 0.14 -0.34 0.00 0.00 0.06 0.00 0.00 54.13 53.99 1a12 s LEU 40 Cb 0.02 2.43 0.00 0.00 -0.56 0.00 0.00 46.19 48.08 1a12 s LEU 40 CO -0.01 -1.09 0.00 0.61 -1.06 0.00 0.00 176.35 174.81 1a12 n GLY 41 N -0.38 0.17 3.84 -3.48 0.00 0.57 -1.25 105.19 104.66 1a12 n GLY 41 Ca -0.11 -1.88 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 1a12 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a12 s GLN 42 N 0.00 4.04 0.00 1.61 -1.52 0.05 -1.08 119.66 122.76 1a12 s GLN 42 Ca 0.00 0.67 0.18 0.00 -1.95 0.00 0.00 55.36 54.26 1a12 s GLN 42 Cb 0.00 -2.58 0.30 0.00 -0.22 0.00 0.00 33.01 30.51 1a12 s GLN 42 CO 0.00 0.24 1.11 0.41 -0.25 0.00 0.00 175.29 176.80 1a12 n GLY 43 N -0.04 0.86 0.34 3.09 0.00 0.14 -4.44 105.19 105.14 1a12 n GLY 43 Ca 0.01 -0.59 0.03 0.00 0.00 0.00 0.00 46.02 45.48 1a12 n GLY 43 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a12 h ASP 44 N 0.70 0.87 -0.40 1.61 3.32 -1.86 -1.40 116.42 119.26 1a12 h ASP 44 Ca -0.21 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1a12 h ASP 44 Cb 1.74 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.14 1a12 h ASP 44 CO 0.04 0.52 0.00 1.33 -1.72 0.00 0.00 179.24 179.42 1a12 n VAL 45 N -4.62 2.41 -0.38 -1.35 0.24 -1.26 -4.95 118.33 108.41 1a12 n VAL 45 Ca 0.15 -1.65 0.00 0.00 -2.04 0.00 0.00 64.34 60.80 1a12 n VAL 45 Cb 0.24 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 1a12 n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a12 n GLY 46 N 0.01 0.76 0.16 7.63 0.00 -0.53 -2.84 105.19 110.38 1a12 n GLY 46 Ca 0.24 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.38 1a12 n GLY 46 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1a12 h GLN 47 N 3.42 0.00 0.00 1.61 -0.00 -1.77 -1.72 115.11 116.65 1a12 h GLN 47 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.56 1a12 h GLN 47 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.47 1a12 h GLN 47 CO 0.00 0.00 -0.63 -0.07 -0.00 0.00 0.00 178.83 178.13 1a12 h LEU 48 N 0.00 0.00 1.53 0.06 3.38 -1.83 -3.41 115.31 115.04 1a12 h LEU 48 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1a12 h LEU 48 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1a12 h LEU 48 CO 0.00 0.41 -0.29 0.61 0.09 0.00 0.00 178.44 179.26 1a12 n GLY 49 N 1.23 0.07 0.63 0.83 0.00 -0.66 -4.74 105.19 102.55 1a12 n GLY 49 Ca 0.00 -0.40 0.06 0.00 0.00 0.00 0.00 46.02 45.68 1a12 n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a12 n LEU 50 N -1.65 3.15 0.00 0.99 4.77 -1.06 -4.38 117.00 118.83 1a12 n LEU 50 Ca -0.14 -2.44 0.00 0.00 -0.03 0.00 0.00 56.01 53.40 1a12 n LEU 50 Cb 0.58 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1a12 n LEU 50 CO 0.16 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1a12 n GLY 51 N -0.09 1.09 0.26 -0.72 0.00 0.02 -4.37 105.19 101.37 1a12 n GLY 51 Ca 0.14 -2.12 0.15 0.00 0.00 0.00 0.00 46.02 44.19 1a12 n GLY 51 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a12 h GLU 52 N 0.00 0.00 0.00 1.61 5.08 -1.86 -3.17 114.58 116.24 1a12 h GLU 52 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a12 h GLU 52 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1a12 h GLU 52 CO 0.00 0.04 -0.89 0.09 -1.00 0.00 0.00 179.01 177.25 1a12 n ASN 53 N -3.14 0.64 -4.26 1.42 3.02 -1.26 -4.78 115.26 106.90 1a12 n ASN 53 Ca 0.01 -0.29 -0.43 0.00 -0.03 0.00 0.00 54.58 53.84 1a12 n ASN 53 Cb 0.37 0.66 -0.07 0.00 -0.61 0.00 0.00 39.78 40.13 1a12 n ASN 53 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1a12 s VAL 54 N -3.13 4.72 -0.81 2.41 1.01 -1.20 -4.90 120.40 118.50 1a12 s VAL 54 Ca 0.06 -1.78 0.22 0.00 0.00 0.00 0.00 61.98 60.48 1a12 s VAL 54 Cb 0.15 -4.05 -0.18 0.00 0.00 0.00 0.00 36.38 32.30 1a12 s VAL 54 CO 0.78 -0.84 0.96 0.23 0.00 0.00 0.00 175.10 176.23 1a12 n MET 55 N 4.90 0.13 -3.62 2.72 2.81 -1.26 -4.68 117.12 118.13 1a12 n MET 55 Ca -0.08 -0.02 -0.15 0.00 -1.81 0.00 0.00 57.70 55.64 1a12 n MET 55 Cb 0.41 -1.52 -0.07 0.00 -0.71 0.00 0.00 33.22 31.33 1a12 n MET 55 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1a12 s GLU 56 N -3.10 0.87 -0.05 0.03 2.12 -1.26 0.27 118.70 117.58 1a12 s GLU 56 Ca 0.06 0.90 -0.01 0.00 0.36 0.00 0.00 54.97 56.28 1a12 s GLU 56 Cb 0.16 0.42 0.03 0.00 0.26 0.00 0.00 34.13 35.00 1a12 s GLU 56 CO 0.83 -0.13 0.01 1.03 -0.54 0.00 0.00 175.26 176.46 1a12 s ARG 57 N 0.17 0.41 0.24 4.30 1.81 -0.24 -4.96 118.95 120.68 1a12 s ARG 57 Ca -0.01 0.14 0.19 0.00 -1.72 0.00 0.00 55.73 54.33 1a12 s ARG 57 Cb -0.04 -0.75 0.06 0.00 -0.45 0.00 0.00 34.95 33.77 1a12 s ARG 57 CO 0.02 -0.25 1.21 0.87 -0.68 0.00 0.00 175.30 176.48 1a12 h LYS 58 N 8.00 0.00 -5.83 3.54 1.57 -1.86 0.16 116.57 122.15 1a12 h LYS 58 Ca -0.25 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.03 1a12 h LYS 58 Cb 1.13 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.26 1a12 h LYS 58 CO 0.31 0.20 -0.78 0.15 -0.57 0.00 0.00 179.45 178.76 1a12 s LYS 59 N -3.12 1.22 0.27 3.15 -0.14 -1.26 -3.93 119.74 115.93 1a12 s LYS 59 Ca 0.02 -1.37 -0.29 0.00 -1.36 0.00 0.00 55.97 52.97 1a12 s LYS 59 Cb 0.08 -1.24 -0.14 0.00 -1.68 0.00 0.00 37.83 34.84 1a12 s LYS 59 CO 0.76 0.25 1.03 -2.30 -0.76 0.00 0.00 175.35 174.33 1a12 n PRO 60 N 0.34 1.32 -4.47 -1.68 -0.02 -1.26 -4.69 135.00 124.54 1a12 n PRO 60 Ca -0.14 0.46 -0.20 0.00 -2.02 0.00 0.00 63.50 61.60 1a12 n PRO 60 Cb 0.57 -1.85 -0.14 0.00 -0.02 0.00 0.00 33.50 32.05 1a12 n PRO 60 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a12 s ALA 61 N -0.90 1.03 0.15 3.55 0.00 0.12 -4.59 121.76 121.12 1a12 s ALA 61 Ca 0.61 -0.60 -0.31 0.00 0.00 0.00 0.00 51.96 51.66 1a12 s ALA 61 Cb -0.72 -0.23 -0.09 0.00 0.00 0.00 0.00 23.12 22.08 1a12 s ALA 61 CO 0.58 0.23 1.47 -1.17 0.00 0.00 0.00 175.76 176.87 1a12 s LEU 62 N -0.54 4.37 -0.19 0.00 2.96 -1.26 -0.99 118.68 123.04 1a12 s LEU 62 Ca 0.03 2.49 -0.09 0.00 -0.22 0.00 0.00 54.13 56.34 1a12 s LEU 62 Cb -0.06 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 1a12 s LEU 62 CO 0.00 -0.72 0.11 -0.69 -1.32 0.00 0.00 176.35 173.73 1a12 s VAL 63 N 0.96 5.25 -0.98 1.68 1.01 -0.24 -4.94 120.40 123.13 1a12 s VAL 63 Ca 0.66 0.13 -0.24 0.00 0.00 0.00 0.00 61.98 62.54 1a12 s VAL 63 Cb -0.40 -3.38 0.05 0.00 0.00 0.00 0.00 36.38 32.65 1a12 s VAL 63 CO 0.32 0.46 1.44 -0.44 0.00 0.00 0.00 175.10 176.89 1a12 s SER 64 N 0.21 6.42 -0.12 3.32 0.01 -1.26 -4.59 113.70 117.69 1a12 s SER 64 Ca 0.08 -1.31 -0.05 0.00 1.31 0.00 0.00 55.95 55.98 1a12 s SER 64 Cb -0.11 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 1a12 s SER 64 CO -0.01 -1.58 0.06 -0.63 0.41 0.00 0.00 173.24 171.49 1a12 s ILE 65 N 5.20 4.78 -2.00 1.44 1.01 -1.26 -4.71 121.20 125.66 1a12 s ILE 65 Ca 0.45 -0.06 0.16 0.00 0.00 0.00 0.00 60.65 61.20 1a12 s ILE 65 Cb -0.01 -3.07 0.45 0.00 0.01 0.00 0.00 42.46 39.83 1a12 s ILE 65 CO -0.07 0.57 1.39 -0.81 0.00 0.00 0.00 174.94 176.02 1a12 n PRO 66 N 2.47 0.65 -4.03 2.79 -0.04 -1.26 -4.71 135.00 130.88 1a12 n PRO 66 Ca -0.18 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.19 1a12 n PRO 66 Cb 0.54 -1.38 -0.09 0.00 -0.04 0.00 0.00 33.50 32.53 1a12 n PRO 66 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1a12 s GLU 67 N -2.00 0.84 0.57 0.54 2.02 -1.26 -5.14 118.70 114.27 1a12 s GLU 67 Ca 0.24 -1.20 -0.19 0.00 0.02 0.00 0.00 54.97 53.83 1a12 s GLU 67 Cb 0.11 0.28 -0.04 0.00 0.10 0.00 0.00 34.13 34.57 1a12 s GLU 67 CO 0.18 -0.24 1.19 -0.51 0.02 0.00 0.00 175.26 175.91 1a12 s ASP 68 N -2.95 5.36 -0.06 -0.19 1.01 -1.26 -4.95 116.67 113.64 1a12 s ASP 68 Ca 0.12 2.34 0.06 0.00 0.71 0.00 0.00 52.55 55.78 1a12 s ASP 68 Cb 0.06 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 1a12 s ASP 68 CO -0.06 -1.48 -0.22 -0.69 0.21 0.00 0.00 175.17 172.93 1a12 s VAL 69 N -1.63 2.31 -0.10 -1.27 1.01 -0.55 -1.93 120.40 118.24 1a12 s VAL 69 Ca 0.76 -0.98 0.19 0.00 0.00 0.00 0.00 61.98 61.95 1a12 s VAL 69 Cb -0.29 -1.85 -0.29 0.00 0.00 0.00 0.00 36.38 33.94 1a12 s VAL 69 CO 0.32 0.57 0.45 1.33 0.00 0.00 0.00 175.10 177.77 1a12 n VAL 70 N 2.79 0.00 -3.75 2.92 0.24 0.28 -0.84 118.33 119.98 1a12 n VAL 70 Ca -0.17 -0.41 -0.12 0.00 -2.04 0.00 0.00 64.34 61.59 1a12 n VAL 70 Cb 0.52 0.13 -0.12 0.00 -1.47 0.00 0.00 33.84 32.90 1a12 n VAL 70 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1a12 s GLN 71 N -3.30 0.28 -0.09 7.34 0.74 -1.17 -4.51 119.66 118.96 1a12 s GLN 71 Ca -0.06 0.49 -0.02 0.00 0.05 0.00 0.00 55.36 55.82 1a12 s GLN 71 Cb 0.13 0.02 0.03 0.00 1.10 0.00 0.00 33.01 34.29 1a12 s GLN 71 CO 0.80 -0.10 0.03 0.00 -0.55 0.00 0.00 175.29 175.47 1a12 s ALA 72 N 0.74 0.60 -0.05 1.58 0.00 -1.26 -0.37 121.76 122.99 1a12 s ALA 72 Ca -0.05 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 51.83 1a12 s ALA 72 Cb -0.06 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 1a12 s ALA 72 CO -0.05 -0.61 -0.21 -1.21 0.00 0.00 0.00 175.76 173.68 1a12 s GLU 73 N 2.02 2.52 -0.27 0.00 0.41 0.01 -4.58 118.70 118.82 1a12 s GLU 73 Ca 0.04 -0.83 -0.12 0.00 -0.41 0.00 0.00 54.97 53.65 1a12 s GLU 73 Cb -0.13 -2.24 -0.05 0.00 -1.78 0.00 0.00 34.13 29.93 1a12 s GLU 73 CO -0.05 0.47 0.25 0.00 -0.49 0.00 0.00 175.26 175.44 1a12 s ALA 74 N -0.37 3.55 0.55 5.21 0.00 -1.26 -0.75 121.76 128.69 1a12 s ALA 74 Ca 0.03 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 1a12 s ALA 74 Cb -0.12 -2.53 0.01 0.00 0.00 0.00 0.00 23.12 20.47 1a12 s ALA 74 CO 0.02 -0.51 0.04 0.41 0.00 0.00 0.00 175.76 175.72 1a12 n GLY 75 N 4.76 0.28 0.37 0.00 0.00 0.14 -4.31 105.19 106.43 1a12 n GLY 75 Ca -0.12 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 1a12 n GLY 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1a12 h GLY 76 N -0.03 -1.18 -4.18 -0.02 0.00 -1.11 -3.32 103.07 93.23 1a12 h GLY 76 Ca -0.01 0.63 -0.29 0.00 0.00 0.00 0.00 47.33 47.66 1a12 h GLY 76 CO 0.01 -0.31 -0.97 1.03 0.00 0.00 0.00 176.54 176.30 1a12 n MET 77 N -4.79 1.91 -3.85 4.80 2.81 -1.26 -1.62 117.12 115.12 1a12 n MET 77 Ca -0.06 -3.40 -0.08 0.00 -1.81 0.00 0.00 57.70 52.34 1a12 n MET 77 Cb 0.32 -1.51 -0.03 0.00 -0.71 0.00 0.00 33.22 31.29 1a12 n MET 77 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 1a12 s HIS 78 N -3.05 -0.09 -0.01 2.03 0.00 -1.25 -1.36 115.29 111.55 1a12 s HIS 78 Ca 0.35 -0.32 0.01 0.00 -3.00 0.00 0.00 55.06 52.10 1a12 s HIS 78 Cb 0.36 0.56 0.00 0.00 -4.00 0.00 0.00 32.58 29.50 1a12 s HIS 78 CO -0.04 -1.13 -0.04 0.99 -1.00 0.00 0.00 174.74 173.52 1a12 s THR 79 N -3.93 0.37 -0.12 -5.38 2.01 0.05 0.23 115.64 108.87 1a12 s THR 79 Ca 0.13 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 61.99 1a12 s THR 79 Cb -0.04 -0.35 0.02 0.00 0.01 0.00 0.00 72.50 72.14 1a12 s THR 79 CO 0.05 0.13 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.27 1a12 s VAL 80 N 0.20 1.55 -0.09 3.82 1.01 0.07 -1.85 120.40 125.12 1a12 s VAL 80 Ca -0.02 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1a12 s VAL 80 Cb -0.05 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 1a12 s VAL 80 CO -0.00 0.45 -0.23 0.00 0.00 0.00 0.00 175.10 175.32 1a12 s LEU 82 N 0.19 4.06 0.63 0.00 2.96 0.50 0.11 118.68 127.12 1a12 s LEU 82 Ca -0.13 0.11 -0.09 0.00 -0.22 0.00 0.00 54.13 53.80 1a12 s LEU 82 Cb -0.16 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 1a12 s LEU 82 CO 0.07 0.10 0.99 -0.94 -1.32 0.00 0.00 176.35 175.25 1a12 s SER 83 N 0.86 5.79 0.52 3.68 1.04 0.13 -0.55 113.70 125.16 1a12 s SER 83 Ca 0.07 1.07 0.23 0.00 0.48 0.00 0.00 55.95 57.80 1a12 s SER 83 Cb -0.13 -2.05 1.41 0.00 0.10 0.00 0.00 66.02 65.35 1a12 s SER 83 CO 0.03 -1.05 2.12 0.50 0.98 0.00 0.00 173.24 175.81 1a12 h LYS 84 N -0.34 0.00 -0.00 4.02 1.63 -1.70 -1.46 116.57 118.72 1a12 h LYS 84 Ca -0.45 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 1a12 h LYS 84 Cb 1.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1a12 h LYS 84 CO 0.62 0.08 -0.23 -1.13 -3.45 0.00 0.00 179.45 175.34 1a12 n SER 85 N -4.04 0.51 0.00 4.20 3.41 -1.26 -4.93 113.62 111.51 1a12 n SER 85 Ca -0.03 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 1a12 n SER 85 Cb 0.17 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1a12 n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a12 n GLY 86 N 1.39 1.04 3.84 5.00 0.00 -0.55 -4.80 105.19 111.11 1a12 n GLY 86 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1a12 n GLY 86 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a12 s GLN 87 N -0.85 3.93 -0.17 1.61 2.00 -1.26 -1.07 119.66 123.86 1a12 s GLN 87 Ca 0.00 0.43 -0.09 0.00 -2.00 0.00 0.00 55.36 53.70 1a12 s GLN 87 Cb 0.00 -3.22 -0.05 0.00 0.80 0.00 0.00 33.01 30.55 1a12 s GLN 87 CO 0.00 0.69 0.13 0.08 -0.50 0.00 0.00 175.29 175.69 1a12 s VAL 88 N -1.09 5.41 0.06 1.34 1.01 -1.26 0.17 120.40 126.03 1a12 s VAL 88 Ca 0.24 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.49 1a12 s VAL 88 Cb -0.17 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1a12 s VAL 88 CO 0.14 0.51 -0.21 -0.31 0.00 0.00 0.00 175.10 175.23 1a12 s TYR 89 N -0.17 2.47 0.03 5.22 1.51 0.12 0.02 117.35 126.55 1a12 s TYR 89 Ca 0.10 -0.31 -0.03 0.00 -1.01 0.00 0.00 57.07 55.82 1a12 s TYR 89 Cb -0.11 -1.41 -0.02 0.00 -0.11 0.00 0.00 41.96 40.31 1a12 s TYR 89 CO 0.00 0.24 0.04 -1.54 -1.11 0.00 0.00 175.55 173.19 1a12 s SER 90 N -1.51 0.22 -0.14 2.29 1.04 -0.57 0.16 113.70 115.19 1a12 s SER 90 Ca 0.14 -0.54 -0.23 0.00 0.48 0.00 0.00 55.95 55.80 1a12 s SER 90 Cb -0.10 0.18 0.06 0.00 0.10 0.00 0.00 66.02 66.25 1a12 s SER 90 CO 0.05 -0.43 0.59 0.72 0.98 0.00 0.00 173.24 175.14 1a12 s PHE 91 N -2.25 -0.59 -3.32 5.02 -0.71 -0.77 -2.25 117.98 113.10 1a12 s PHE 91 Ca -0.08 1.27 0.00 0.00 -1.04 0.00 0.00 56.93 57.08 1a12 s PHE 91 Cb -0.04 0.27 0.00 0.00 -1.21 0.00 0.00 43.02 42.04 1a12 s PHE 91 CO -0.03 -0.42 0.00 0.41 -1.34 0.00 0.00 175.22 173.84 1a12 n GLY 92 N 1.97 0.81 3.72 1.99 0.00 0.53 -0.77 105.19 113.43 1a12 n GLY 92 Ca -0.16 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 1a12 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a12 n ASN 94 N 3.69 2.23 -0.34 0.00 5.15 -1.26 -4.28 115.26 120.45 1a12 n ASN 94 Ca 0.10 -3.03 0.01 0.00 -0.60 0.00 0.00 54.58 51.06 1a12 n ASN 94 Cb 0.43 -0.42 0.18 0.00 -0.53 0.00 0.00 39.78 39.44 1a12 n ASN 94 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1a12 h ASP 95 N 0.00 1.03 0.03 1.20 5.19 -2.00 -1.61 116.42 120.26 1a12 h ASP 95 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1a12 h ASP 95 Cb 1.02 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1a12 h ASP 95 CO 0.00 0.70 -0.36 -0.62 -3.12 0.00 0.00 179.24 175.84 1a12 n GLU 96 N -4.45 1.29 -0.19 3.56 -0.58 -1.26 -4.97 120.64 114.05 1a12 n GLU 96 Ca 0.13 -1.02 0.00 0.00 -0.42 0.00 0.00 57.16 55.86 1a12 n GLU 96 Cb 0.12 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 1a12 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a12 n GLY 97 N 1.39 0.90 0.29 0.62 0.00 -0.61 -3.72 105.19 104.06 1a12 n GLY 97 Ca 0.11 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.27 1a12 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a12 h ALA 98 N 0.00 1.40 0.00 4.61 0.00 -1.76 -1.75 119.26 121.76 1a12 h ALA 98 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1a12 h ALA 98 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1a12 h ALA 98 CO 0.00 0.06 -0.20 -0.07 0.00 0.00 0.00 179.25 179.04 1a12 h LEU 99 N 0.00 0.00 1.70 0.00 3.38 -1.89 -3.40 115.31 115.10 1a12 h LEU 99 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 1a12 h LEU 99 Cb 0.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1a12 h LEU 99 CO 0.01 0.20 -0.42 0.61 0.09 0.00 0.00 178.44 178.93 1a12 n GLY 100 N 0.82 -0.26 3.60 0.83 0.00 -0.66 -4.70 105.19 104.82 1a12 n GLY 100 Ca 0.02 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1a12 n GLY 100 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1a12 s ARG 101 N -4.99 1.48 -0.33 1.61 1.70 -1.25 -1.95 118.95 115.22 1a12 s ARG 101 Ca 0.08 -0.79 -0.26 0.00 -0.47 0.00 0.00 55.73 54.29 1a12 s ARG 101 Cb -0.03 0.57 0.01 0.00 -0.57 0.00 0.00 34.95 34.93 1a12 s ARG 101 CO 0.09 -0.65 0.91 0.34 -1.08 0.00 0.00 175.30 174.91 1a12 s ASP 102 N -2.85 6.75 -0.45 -2.89 2.15 -1.26 -4.91 116.67 113.20 1a12 s ASP 102 Ca 0.08 0.76 0.03 0.00 0.43 0.00 0.00 52.55 53.85 1a12 s ASP 102 Cb -0.03 -2.46 0.47 0.00 -0.30 0.00 0.00 42.92 40.60 1a12 s ASP 102 CO -0.03 -0.76 1.58 0.35 -0.17 0.00 0.00 175.17 176.14 1a12 n THR 103 N 5.76 3.00 -0.13 1.71 -2.24 -1.26 -4.69 114.28 116.43 1a12 n THR 103 Ca 0.07 -3.48 -0.06 0.00 -2.27 0.00 0.00 64.05 58.31 1a12 n THR 103 Cb 0.48 -1.04 0.03 0.00 -2.10 0.00 0.00 70.33 67.69 1a12 n THR 103 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1a12 h SER 104 N 1.95 0.26 -2.30 3.42 0.02 -1.99 -3.41 113.55 111.50 1a12 h SER 104 Ca 0.46 0.03 -0.57 0.00 -0.84 0.00 0.00 61.79 60.87 1a12 h SER 104 Cb 1.29 -0.02 0.04 0.00 0.14 0.00 0.00 62.40 63.85 1a12 h SER 104 CO 1.07 0.19 1.02 0.52 -1.14 0.00 0.00 176.83 178.48 1a12 n VAL 105 N -4.94 0.32 -1.68 2.27 0.31 -1.26 -4.85 118.33 108.50 1a12 n VAL 105 Ca 0.02 -0.06 -0.47 0.00 -0.01 0.00 0.00 64.34 63.83 1a12 n VAL 105 Cb 0.12 -1.88 -0.04 0.00 -0.91 0.00 0.00 33.84 31.12 1a12 n VAL 105 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1a12 n GLU 106 N 5.29 2.35 -0.72 5.55 -0.58 -1.26 -1.25 120.64 130.01 1a12 n GLU 106 Ca 0.19 0.86 0.00 0.00 -0.42 0.00 0.00 57.16 57.79 1a12 n GLU 106 Cb 0.33 -2.72 0.00 0.00 -0.57 0.00 0.00 31.44 28.48 1a12 n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a12 n GLY 107 N 4.30 0.82 0.14 0.62 0.00 -1.26 -4.90 105.19 104.92 1a12 n GLY 107 Ca 0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1a12 n GLY 107 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a12 h SER 108 N 0.00 0.00 0.87 1.61 4.64 -1.46 -2.21 113.55 117.01 1a12 h SER 108 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a12 h SER 108 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1a12 h SER 108 CO 0.00 0.00 -0.24 -1.84 -0.87 0.00 0.00 176.83 173.88 1a12 n GLU 109 N -2.38 0.06 0.00 4.77 0.00 -1.26 -3.76 120.64 118.07 1a12 n GLU 109 Ca 0.03 0.03 0.12 0.00 0.00 0.00 0.00 57.16 57.34 1a12 n GLU 109 Cb 0.32 -1.55 0.14 0.00 0.00 0.00 0.00 31.44 30.35 1a12 n GLU 109 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1a12 n MET 110 N -1.65 1.23 -4.29 3.44 2.81 -0.83 -0.35 117.12 117.48 1a12 n MET 110 Ca 0.06 -0.94 -0.16 0.00 -1.81 0.00 0.00 57.70 54.85 1a12 n MET 110 Cb 0.36 -1.48 -0.10 0.00 -0.71 0.00 0.00 33.22 31.29 1a12 n MET 110 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1a12 s VAL 111 N -2.42 1.41 0.41 2.03 -7.23 -1.25 -0.80 120.40 112.56 1a12 s VAL 111 Ca 0.22 -2.08 -0.26 0.00 -1.81 0.00 0.00 61.98 58.05 1a12 s VAL 111 Cb 0.19 -1.89 -0.10 0.00 0.56 0.00 0.00 36.38 35.14 1a12 s VAL 111 CO 0.52 -0.65 1.27 -2.65 -0.31 0.00 0.00 175.10 173.28 1a12 n PRO 112 N -0.18 1.95 -3.96 4.82 -0.02 -1.26 -4.66 135.00 131.69 1a12 n PRO 112 Ca -0.10 0.69 -0.09 0.00 -2.02 0.00 0.00 63.50 61.98 1a12 n PRO 112 Cb 0.60 -2.37 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 1a12 n PRO 112 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1a12 s GLY 113 N -0.50 0.22 0.03 -1.23 0.00 -0.96 -4.95 107.32 99.93 1a12 s GLY 113 Ca 0.60 -0.64 -0.30 0.00 0.00 0.00 0.00 44.72 44.38 1a12 s GLY 113 CO 0.59 -0.76 1.31 1.25 0.00 0.00 0.00 173.10 175.48 1a12 s LYS 114 N -2.57 4.34 0.32 2.90 2.20 -1.26 -1.51 119.74 124.16 1a12 s LYS 114 Ca -0.05 1.88 -0.29 0.00 -0.36 0.00 0.00 55.97 57.15 1a12 s LYS 114 Cb -0.02 -3.45 -0.10 0.00 -1.51 0.00 0.00 37.83 32.75 1a12 s LYS 114 CO -0.05 -0.44 1.24 0.08 -0.36 0.00 0.00 175.35 175.82 1a12 s VAL 115 N 1.78 2.96 -1.28 4.02 1.01 0.10 -4.78 120.40 124.21 1a12 s VAL 115 Ca 0.61 0.96 -0.16 0.00 0.00 0.00 0.00 61.98 63.39 1a12 s VAL 115 Cb -0.31 -3.61 0.10 0.00 0.00 0.00 0.00 36.38 32.57 1a12 s VAL 115 CO 0.27 0.23 1.67 -0.62 0.00 0.00 0.00 175.10 176.64 1a12 n GLU 116 N 0.88 3.25 -3.49 2.72 1.02 -0.82 -4.74 120.64 119.46 1a12 n GLU 116 Ca -0.00 -3.44 -0.17 0.00 -0.02 0.00 0.00 57.16 53.52 1a12 n GLU 116 Cb 0.43 -3.33 -0.12 0.00 -0.02 0.00 0.00 31.44 28.40 1a12 n GLU 116 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1a12 s LEU 117 N 3.17 -0.16 -1.29 -4.62 2.96 -1.26 -4.46 118.68 113.02 1a12 s LEU 117 Ca 0.50 -0.14 -0.10 0.00 -0.22 0.00 0.00 54.13 54.17 1a12 s LEU 117 Cb 0.02 0.46 0.15 0.00 0.50 0.00 0.00 46.19 47.33 1a12 s LEU 117 CO 0.05 -0.32 1.88 0.00 -1.32 0.00 0.00 176.35 176.63 1a12 n GLN 118 N 5.32 3.53 -3.91 1.98 6.02 -1.26 -4.87 117.38 124.19 1a12 n GLN 118 Ca -0.05 -3.46 -0.09 0.00 -0.01 0.00 0.00 57.00 53.38 1a12 n GLN 118 Cb 0.50 -2.97 -0.09 0.00 1.02 0.00 0.00 30.24 28.70 1a12 n GLN 118 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1a12 s GLU 119 N 0.76 0.66 -0.63 -1.09 0.41 -1.26 -5.10 118.70 112.45 1a12 s GLU 119 Ca 0.41 -0.81 -0.21 0.00 -0.41 0.00 0.00 54.97 53.94 1a12 s GLU 119 Cb 0.09 0.26 0.09 0.00 -1.78 0.00 0.00 34.13 32.79 1a12 s GLU 119 CO -0.00 -0.18 0.84 0.21 -0.49 0.00 0.00 175.26 175.64 1a12 s LYS 120 N -2.96 3.08 0.27 1.61 2.36 -1.26 -4.65 119.74 118.19 1a12 s LYS 120 Ca -0.02 -1.06 -0.18 0.00 -2.55 0.00 0.00 55.97 52.16 1a12 s LYS 120 Cb 0.01 -4.25 -0.09 0.00 -1.05 0.00 0.00 37.83 32.45 1a12 s LYS 120 CO -0.06 -1.69 0.75 0.08 1.55 0.00 0.00 175.35 175.97 1a12 s VAL 121 N 3.43 4.59 0.00 4.02 1.01 -0.23 -1.38 120.40 131.84 1a12 s VAL 121 Ca 0.17 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.34 1a12 s VAL 121 Cb -0.20 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1a12 s VAL 121 CO 0.08 0.03 0.16 1.33 0.00 0.00 0.00 175.10 176.71 1a12 n VAL 122 N 0.24 0.00 -3.58 2.92 0.24 0.23 -4.37 118.33 114.01 1a12 n VAL 122 Ca 0.01 -0.45 -0.14 0.00 -2.04 0.00 0.00 64.34 61.71 1a12 n VAL 122 Cb 0.52 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.86 1a12 n VAL 122 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1a12 s GLN 123 N -0.58 0.81 0.25 7.34 0.74 -1.22 -4.47 119.66 122.53 1a12 s GLN 123 Ca 0.00 0.51 0.05 0.00 0.05 0.00 0.00 55.36 55.97 1a12 s GLN 123 Cb 0.00 0.39 -0.05 0.00 1.10 0.00 0.00 33.01 34.45 1a12 s GLN 123 CO 0.00 -0.19 -0.05 0.14 -0.55 0.00 0.00 175.29 174.64 1a12 s VAL 124 N -0.48 1.40 0.07 1.34 -7.23 -1.26 -0.68 120.40 113.55 1a12 s VAL 124 Ca -0.04 -2.09 -0.11 0.00 -1.81 0.00 0.00 61.98 57.93 1a12 s VAL 124 Cb -0.02 -2.33 0.01 0.00 0.56 0.00 0.00 36.38 34.59 1a12 s VAL 124 CO 0.03 -0.37 0.24 -0.94 -0.31 0.00 0.00 175.10 173.75 1a12 s SER 125 N -3.36 0.00 -0.01 4.85 1.04 -0.65 -4.93 113.70 110.64 1a12 s SER 125 Ca 0.27 -0.42 -0.02 0.00 0.48 0.00 0.00 55.95 56.27 1a12 s SER 125 Cb 0.04 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 1a12 s SER 125 CO 0.09 -0.66 0.04 0.00 0.98 0.00 0.00 173.24 173.69 1a12 s ALA 126 N -3.13 -0.08 0.00 5.32 0.00 -1.26 -0.84 121.76 121.77 1a12 s ALA 126 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1a12 s ALA 126 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1a12 s ALA 126 CO -0.07 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1a12 n GLY 127 N 2.60 6.39 0.19 0.00 0.00 -0.32 -4.63 105.19 109.43 1a12 n GLY 127 Ca -0.16 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 43.80 1a12 n GLY 127 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1a12 h ASP 128 N 0.00 0.58 0.00 1.61 3.58 -0.86 -0.12 116.42 121.21 1a12 h ASP 128 Ca 0.00 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.20 1a12 h ASP 128 Cb 0.00 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.90 1a12 h ASP 128 CO 0.00 0.68 -0.41 -1.20 -2.88 0.00 0.00 179.24 175.42 1a12 n SER 129 N -4.57 0.27 -4.26 2.28 7.64 -1.26 -3.82 113.62 109.90 1a12 n SER 129 Ca -0.01 -2.06 -0.14 0.00 1.01 0.00 0.00 58.87 57.67 1a12 n SER 129 Cb 0.21 -0.21 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1a12 n SER 129 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1a12 s HIS 130 N -0.32 1.29 0.00 1.43 -3.43 -1.24 -1.53 115.29 111.50 1a12 s HIS 130 Ca 0.03 -0.98 0.00 0.00 -0.80 0.00 0.00 55.06 53.32 1a12 s HIS 130 Cb 0.03 -0.73 -0.00 0.00 -1.43 0.00 0.00 32.58 30.44 1a12 s HIS 130 CO 0.00 -0.15 -0.02 0.99 -2.00 0.00 0.00 174.74 173.57 1a12 s THR 131 N -3.58 0.11 0.15 -5.38 2.01 0.05 -1.17 115.64 107.83 1a12 s THR 131 Ca 0.24 -0.23 0.09 0.00 0.31 0.00 0.00 61.69 62.11 1a12 s THR 131 Cb 0.06 -0.13 -0.04 0.00 0.01 0.00 0.00 72.50 72.39 1a12 s THR 131 CO 0.05 -0.08 -0.21 0.00 -0.69 0.00 0.00 174.62 173.69 1a12 s ALA 132 N -0.31 2.08 -0.03 7.40 0.00 -0.02 -0.97 121.76 129.90 1a12 s ALA 132 Ca -0.03 -1.45 -0.03 0.00 0.00 0.00 0.00 51.96 50.46 1a12 s ALA 132 Cb -0.02 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1a12 s ALA 132 CO -0.00 0.33 0.09 0.00 0.00 0.00 0.00 175.76 176.18 1a12 s ALA 133 N -1.63 -0.19 -0.23 0.00 0.00 0.39 -1.64 121.76 118.47 1a12 s ALA 133 Ca 0.14 0.30 -0.06 0.00 0.00 0.00 0.00 51.96 52.33 1a12 s ALA 133 Cb -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1a12 s ALA 133 CO 0.06 -0.06 0.03 -1.17 0.00 0.00 0.00 175.76 174.63 1a12 s LEU 134 N 0.27 3.32 0.83 0.00 2.96 0.14 -0.41 118.68 125.80 1a12 s LEU 134 Ca -0.02 -0.22 -0.11 0.00 -0.22 0.00 0.00 54.13 53.56 1a12 s LEU 134 Cb -0.03 -1.87 0.09 0.00 0.50 0.00 0.00 46.19 44.88 1a12 s LEU 134 CO -0.01 0.01 1.10 0.42 -1.32 0.00 0.00 176.35 176.55 1a12 s THR 135 N 1.34 2.92 -0.20 3.68 -4.23 0.83 -0.60 115.64 119.38 1a12 s THR 135 Ca 0.05 0.30 0.27 0.00 -1.18 0.00 0.00 61.69 61.12 1a12 s THR 135 Cb -0.15 -2.96 0.29 0.00 1.34 0.00 0.00 72.50 71.01 1a12 s THR 135 CO 0.02 -0.39 1.81 -2.24 -0.54 0.00 0.00 174.62 173.28 1a12 h ASP 136 N -1.23 0.00 -0.53 3.99 2.03 -1.55 -1.09 116.42 118.03 1a12 h ASP 136 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 1a12 h ASP 136 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 1a12 h ASP 136 CO 0.58 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.89 1a12 n ASP 137 N -2.48 3.45 0.00 4.15 5.75 -1.26 0.48 116.55 126.64 1a12 n ASP 137 Ca 0.01 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1a12 n ASP 137 Cb 0.18 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 1a12 n ASP 137 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a12 n GLY 138 N 1.15 0.95 3.89 6.12 0.00 -0.41 -4.67 105.19 112.22 1a12 n GLY 138 Ca 0.18 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 1a12 n GLY 138 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a12 s ARG 139 N -1.43 3.49 -0.16 1.61 0.52 -1.26 -1.01 118.95 120.71 1a12 s ARG 139 Ca 0.00 -0.21 -0.05 0.00 -0.52 0.00 0.00 55.73 54.95 1a12 s ARG 139 Cb 0.00 -3.11 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 1a12 s ARG 139 CO 0.00 0.68 0.01 0.08 0.02 0.00 0.00 175.30 176.09 1a12 s VAL 140 N -1.27 4.32 0.07 3.52 1.01 -1.26 -0.12 120.40 126.67 1a12 s VAL 140 Ca 0.25 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.07 1a12 s VAL 140 Cb -0.13 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1a12 s VAL 140 CO 0.16 0.49 -0.03 -0.36 0.00 0.00 0.00 175.10 175.36 1a12 s PHE 141 N 0.24 2.94 -0.01 5.22 0.40 0.45 0.11 117.98 127.33 1a12 s PHE 141 Ca 0.00 -0.04 -0.02 0.00 -0.60 0.00 0.00 56.93 56.28 1a12 s PHE 141 Cb -0.13 -1.54 0.00 0.00 0.51 0.00 0.00 43.02 41.86 1a12 s PHE 141 CO 0.02 0.45 0.05 -1.17 0.70 0.00 0.00 175.22 175.27 1a12 s LEU 142 N -2.09 1.84 0.05 -0.37 2.96 0.47 -0.46 118.68 121.08 1a12 s LEU 142 Ca 0.23 0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 54.09 1a12 s LEU 142 Cb -0.11 0.20 -0.01 0.00 0.50 0.00 0.00 46.19 46.77 1a12 s LEU 142 CO 0.15 -0.08 0.11 -1.66 -1.32 0.00 0.00 176.35 173.55 1a12 s TRP 143 N -0.25 0.23 0.00 5.38 -2.14 -0.14 -0.75 118.94 121.27 1a12 s TRP 143 Ca -0.03 -0.60 0.00 0.00 2.66 0.00 0.00 56.10 58.13 1a12 s TRP 143 Cb -0.02 -0.15 0.00 0.00 -3.10 0.00 0.00 33.47 30.20 1a12 s TRP 143 CO 0.00 -0.42 0.00 0.41 -2.66 0.00 0.00 176.95 174.28 1a12 n GLY 144 N 0.44 0.68 3.50 3.67 0.00 0.35 -0.77 105.19 113.05 1a12 n GLY 144 Ca -0.17 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 1a12 n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a12 s SER 145 N -4.00 -0.08 0.01 1.61 1.04 -0.58 -1.74 113.70 109.96 1a12 s SER 145 Ca 0.00 -0.84 0.02 0.00 0.48 0.00 0.00 55.95 55.61 1a12 s SER 145 Cb 0.00 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 1a12 s SER 145 CO 0.00 -1.05 0.00 -0.36 0.98 0.00 0.00 173.24 172.82 1a12 s PHE 146 N -3.98 3.07 0.15 5.02 0.08 0.84 -3.66 117.98 119.49 1a12 s PHE 146 Ca 0.19 0.07 0.08 0.00 0.12 0.00 0.00 56.93 57.39 1a12 s PHE 146 Cb 0.01 -1.65 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 1a12 s PHE 146 CO 0.04 0.47 -0.18 1.03 -0.10 0.00 0.00 175.22 176.48 1a12 s ARG 147 N -1.67 1.21 0.00 0.44 0.52 -1.26 -0.46 118.95 117.73 1a12 s ARG 147 Ca 0.21 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 54.08 1a12 s ARG 147 Cb -0.12 -1.30 0.00 0.00 0.52 0.00 0.00 34.95 34.06 1a12 s ARG 147 CO 0.12 0.27 0.00 -0.40 0.02 0.00 0.00 175.30 175.31 1a12 n ASP 148 N 0.50 0.97 -0.32 0.23 5.75 -0.15 -4.77 116.55 118.76 1a12 n ASP 148 Ca -0.15 -0.75 0.04 0.00 -0.01 0.00 0.00 54.79 53.91 1a12 n ASP 148 Cb 0.56 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.83 1a12 n ASP 148 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1a12 h ASN 149 N 0.00 0.80 0.40 -1.12 -1.07 -2.01 -2.84 115.58 109.74 1a12 h ASN 149 Ca 0.00 0.04 -0.31 0.00 0.07 0.00 0.00 56.30 56.09 1a12 h ASN 149 Cb 0.00 -0.12 -0.01 0.00 -2.07 0.00 0.00 38.32 36.12 1a12 h ASN 149 CO 0.00 0.47 -1.62 0.78 0.07 0.00 0.00 177.43 177.13 1a12 h ASN 150 N 0.91 0.37 -1.10 6.14 2.35 -2.04 -3.49 115.58 118.72 1a12 h ASN 150 Ca 0.42 -0.57 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1a12 h ASN 150 Cb 0.34 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1a12 h ASN 150 CO -0.23 1.48 0.00 0.61 -1.65 0.00 0.00 177.43 177.64 1a12 n GLY 151 N 1.71 -1.09 3.68 2.83 0.00 -1.07 -5.11 105.19 106.13 1a12 n GLY 151 Ca -0.19 -1.44 -0.47 0.00 0.00 0.00 0.00 46.02 43.92 1a12 n GLY 151 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a12 n VAL 152 N 5.75 0.30 0.67 1.61 0.31 -1.26 -0.98 118.33 124.72 1a12 n VAL 152 Ca 0.00 -0.05 0.07 0.00 -0.01 0.00 0.00 64.34 64.35 1a12 n VAL 152 Cb 0.00 -1.75 -0.06 0.00 -0.91 0.00 0.00 33.84 31.12 1a12 n VAL 152 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1a12 n ILE 153 N 4.32 0.00 0.00 2.52 -5.35 0.39 -4.89 119.36 116.35 1a12 n ILE 153 Ca 0.20 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1a12 n ILE 153 Cb 0.30 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 1a12 n ILE 153 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a12 n GLY 154 N 1.28 -0.20 0.00 3.28 0.00 -1.22 -1.64 105.19 106.68 1a12 n GLY 154 Ca 0.04 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1a12 n GLY 154 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1a12 n LEU 155 N 0.00 0.00 -0.02 0.99 7.94 -0.69 -0.11 117.00 125.11 1a12 n LEU 155 Ca 0.00 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 54.99 1a12 n LEU 155 Cb 0.00 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 43.79 1a12 n LEU 155 CO 0.00 0.00 -0.78 0.18 -1.11 0.00 0.00 177.39 175.68 1a12 n LEU 156 N -0.96 0.00 -4.28 -1.96 4.77 -1.26 -4.82 117.00 108.50 1a12 n LEU 156 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 1a12 n LEU 156 Cb 0.00 0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.01 1a12 n LEU 156 CO 0.00 0.05 -0.51 -1.61 -1.33 0.00 0.00 177.39 173.98 1a12 s GLU 157 N -3.35 1.12 0.02 3.23 2.02 -1.26 -4.65 118.70 115.82 1a12 s GLU 157 Ca -0.08 -1.14 -0.34 0.00 0.02 0.00 0.00 54.97 53.44 1a12 s GLU 157 Cb 0.13 -1.36 -0.13 0.00 0.10 0.00 0.00 34.13 32.87 1a12 s GLU 157 CO 0.86 0.32 1.75 -2.30 0.02 0.00 0.00 175.26 175.91 1a12 n PRO 158 N 1.14 2.17 -1.17 0.39 -0.02 -1.26 -2.43 135.00 133.82 1a12 n PRO 158 Ca -0.20 0.79 -0.06 0.00 -2.02 0.00 0.00 63.50 62.02 1a12 n PRO 158 Cb 0.54 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 1a12 n PRO 158 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1a12 n MET 159 N 5.28 -0.77 -4.02 -0.52 2.81 -0.65 -4.93 117.12 114.32 1a12 n MET 159 Ca 0.20 0.61 -0.31 0.00 -1.81 0.00 0.00 57.70 56.39 1a12 n MET 159 Cb 0.29 -4.44 -0.16 0.00 -0.71 0.00 0.00 33.22 28.21 1a12 n MET 159 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1a12 s LYS 160 N -2.10 2.15 0.93 0.03 1.02 -1.02 -4.73 119.74 116.02 1a12 s LYS 160 Ca 0.00 -0.95 -0.14 0.00 0.02 0.00 0.00 55.97 54.90 1a12 s LYS 160 Cb 0.00 -2.53 0.16 0.00 -0.52 0.00 0.00 37.83 34.94 1a12 s LYS 160 CO 0.00 -0.44 1.23 -1.59 -0.92 0.00 0.00 175.35 173.63 1a12 s LYS 161 N 1.33 0.99 -0.06 1.68 -2.85 -1.26 -1.71 119.74 117.86 1a12 s LYS 161 Ca -0.02 -0.09 -0.01 0.00 -1.00 0.00 0.00 55.97 54.84 1a12 s LYS 161 Cb -0.17 -1.86 0.03 0.00 -2.06 0.00 0.00 37.83 33.77 1a12 s LYS 161 CO -0.08 -2.23 0.02 0.45 0.10 0.00 0.00 175.35 173.61 1a12 s SER 162 N -4.56 1.32 0.28 0.03 0.15 -0.71 -4.91 113.70 105.30 1a12 s SER 162 Ca 0.68 -0.04 0.25 0.00 0.70 0.00 0.00 55.95 57.55 1a12 s SER 162 Cb -0.08 -0.34 0.92 0.00 -1.71 0.00 0.00 66.02 64.81 1a12 s SER 162 CO 0.52 -0.19 1.76 0.24 1.20 0.00 0.00 173.24 176.76 1a12 h MET 163 N 8.19 0.00 -6.61 5.44 0.00 -1.84 0.10 114.93 120.22 1a12 h MET 163 Ca -0.21 0.00 -0.64 0.00 0.00 0.00 0.00 59.70 58.85 1a12 h MET 163 Cb 1.13 0.00 -0.21 0.00 0.00 0.00 0.00 31.60 32.52 1a12 h MET 163 CO 0.26 0.00 -0.84 0.14 0.00 0.00 0.00 176.91 176.47 1a12 s VAL 164 N -3.27 2.16 0.06 -2.22 -7.23 -1.26 -3.88 120.40 104.76 1a12 s VAL 164 Ca 0.06 -1.82 -0.33 0.00 -1.81 0.00 0.00 61.98 58.09 1a12 s VAL 164 Cb 0.10 -1.95 -0.12 0.00 0.56 0.00 0.00 36.38 34.98 1a12 s VAL 164 CO 0.50 -0.03 1.81 -2.65 -0.31 0.00 0.00 175.10 174.41 1a12 n PRO 165 N 0.70 2.49 -5.03 4.82 -0.02 -1.26 -4.67 135.00 132.03 1a12 n PRO 165 Ca -0.16 0.91 -0.28 0.00 -2.02 0.00 0.00 63.50 61.94 1a12 n PRO 165 Cb 0.54 -2.77 -0.16 0.00 -0.02 0.00 0.00 33.50 31.10 1a12 n PRO 165 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a12 s VAL 166 N 2.86 1.68 0.04 -1.45 1.01 0.07 -4.89 120.40 119.73 1a12 s VAL 166 Ca 0.85 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 1a12 s VAL 166 Cb -0.58 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1a12 s VAL 166 CO 0.42 0.48 1.23 -1.58 0.00 0.00 0.00 175.10 175.65 1a12 s GLN 167 N -0.27 4.40 0.06 2.72 0.74 -1.26 -0.40 119.66 125.65 1a12 s GLN 167 Ca 0.02 1.79 -0.31 0.00 0.05 0.00 0.00 55.36 56.92 1a12 s GLN 167 Cb -0.10 -3.40 -0.07 0.00 1.10 0.00 0.00 33.01 30.54 1a12 s GLN 167 CO 0.01 -0.33 1.48 0.08 -0.55 0.00 0.00 175.29 175.98 1a12 s VAL 168 N 1.40 3.34 -1.34 1.34 1.01 0.12 -4.91 120.40 121.34 1a12 s VAL 168 Ca 0.59 0.84 -0.16 0.00 0.00 0.00 0.00 61.98 63.25 1a12 s VAL 168 Cb -0.29 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1a12 s VAL 168 CO 0.28 0.02 2.09 0.00 0.00 0.00 0.00 175.10 177.49 1a12 n GLN 169 N 4.96 2.72 -4.42 2.72 6.02 -1.26 -4.69 117.38 123.43 1a12 n GLN 169 Ca 0.13 -2.64 -0.25 0.00 -0.01 0.00 0.00 57.00 54.23 1a12 n GLN 169 Cb 0.42 -3.30 -0.10 0.00 1.02 0.00 0.00 30.24 28.28 1a12 n GLN 169 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1a12 s LEU 170 N 2.73 2.62 -0.07 1.08 2.96 -1.26 -4.88 118.68 121.85 1a12 s LEU 170 Ca 0.50 -0.90 0.22 0.00 -0.22 0.00 0.00 54.13 53.73 1a12 s LEU 170 Cb 0.12 -1.23 0.43 0.00 0.50 0.00 0.00 46.19 46.01 1a12 s LEU 170 CO -0.03 0.07 1.18 -0.67 -1.32 0.00 0.00 176.35 175.58 1a12 n ASP 171 N -0.27 1.29 -3.91 3.68 2.03 -1.26 -5.01 116.55 113.11 1a12 n ASP 171 Ca -0.08 -2.53 -0.13 0.00 0.52 0.00 0.00 54.79 52.56 1a12 n ASP 171 Cb 0.58 -0.37 -0.14 0.00 -0.72 0.00 0.00 41.12 40.47 1a12 n ASP 171 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1a12 s VAL 172 N -1.13 0.17 0.35 5.18 -7.23 -1.26 -5.14 120.40 111.34 1a12 s VAL 172 Ca 0.35 -0.16 -0.28 0.00 -1.81 0.00 0.00 61.98 60.08 1a12 s VAL 172 Cb 0.38 -0.17 -0.11 0.00 0.56 0.00 0.00 36.38 37.05 1a12 s VAL 172 CO -0.13 0.01 1.37 -2.84 -0.31 0.00 0.00 175.10 173.19 1a12 s PRO 173 N -0.17 4.27 -0.16 4.82 0.02 -1.26 -4.94 135.00 137.59 1a12 s PRO 173 Ca -0.00 2.34 -0.06 0.00 0.02 0.00 0.00 61.00 63.29 1a12 s PRO 173 Cb -0.02 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.43 1a12 s PRO 173 CO -0.00 -0.31 0.06 0.08 -0.33 0.00 0.00 177.00 176.50 1a12 s VAL 174 N -1.14 4.77 -0.32 3.83 1.01 -0.18 -1.76 120.40 126.62 1a12 s VAL 174 Ca 0.50 -0.05 0.19 0.00 0.00 0.00 0.00 61.98 62.62 1a12 s VAL 174 Cb -0.42 -3.11 -0.26 0.00 0.00 0.00 0.00 36.38 32.59 1a12 s VAL 174 CO 0.56 0.51 0.54 1.33 0.00 0.00 0.00 175.10 178.04 1a12 n VAL 175 N 3.09 0.00 -3.77 2.92 0.24 0.47 -4.36 118.33 116.92 1a12 n VAL 175 Ca -0.17 -0.30 -0.13 0.00 -2.04 0.00 0.00 64.34 61.69 1a12 n VAL 175 Cb 0.53 0.39 -0.11 0.00 -1.47 0.00 0.00 33.84 33.18 1a12 n VAL 175 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1a12 s LYS 176 N -3.10 0.35 0.02 7.34 2.20 -1.11 -4.57 119.74 120.87 1a12 s LYS 176 Ca -0.02 0.40 0.08 0.00 -0.36 0.00 0.00 55.97 56.07 1a12 s LYS 176 Cb 0.13 0.17 -0.03 0.00 -1.51 0.00 0.00 37.83 36.59 1a12 s LYS 176 CO 0.77 -0.04 -0.23 0.14 -0.36 0.00 0.00 175.35 175.63 1a12 s VAL 177 N 0.13 2.39 -0.03 4.02 -7.23 -1.26 -1.17 120.40 117.26 1a12 s VAL 177 Ca -0.00 -1.20 -0.06 0.00 -1.81 0.00 0.00 61.98 58.91 1a12 s VAL 177 Cb -0.02 -1.93 0.01 0.00 0.56 0.00 0.00 36.38 34.99 1a12 s VAL 177 CO 0.00 0.43 0.14 0.00 -0.31 0.00 0.00 175.10 175.37 1a12 s ALA 178 N -0.78 -0.35 -0.02 1.32 0.00 -0.64 -4.77 121.76 116.51 1a12 s ALA 178 Ca 0.12 0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.28 1a12 s ALA 178 Cb -0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1a12 s ALA 178 CO 0.02 -0.14 -0.23 -1.12 0.00 0.00 0.00 175.76 174.29 1a12 s SER 179 N -0.68 2.71 0.02 0.00 0.01 -1.26 -0.84 113.70 113.66 1a12 s SER 179 Ca -0.08 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1a12 s SER 179 Cb -0.05 -0.37 0.00 0.00 0.21 0.00 0.00 66.02 65.81 1a12 s SER 179 CO 0.01 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.54 1a12 n GLY 180 N 2.59 1.34 0.13 3.44 0.00 -0.61 -4.69 105.19 107.39 1a12 n GLY 180 Ca -0.16 -1.96 -0.14 0.00 0.00 0.00 0.00 46.02 43.77 1a12 n GLY 180 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1a12 h ASN 181 N 0.00 -0.20 -0.19 1.61 4.21 -0.89 -3.35 115.58 116.76 1a12 h ASN 181 Ca 0.00 -0.04 -0.20 0.00 1.21 0.00 0.00 56.30 57.28 1a12 h ASN 181 Cb 0.00 0.05 -0.29 0.00 -1.12 0.00 0.00 38.32 36.96 1a12 h ASN 181 CO 0.00 -0.10 -0.88 0.47 -1.29 0.00 0.00 177.43 175.63 1a12 n ASP 182 N -5.17 1.86 -3.92 5.81 8.00 -1.26 -0.33 116.55 121.54 1a12 n ASP 182 Ca -0.09 -2.77 -0.09 0.00 0.71 0.00 0.00 54.79 52.56 1a12 n ASP 182 Cb 0.14 -0.40 -0.09 0.00 -0.02 0.00 0.00 41.12 40.75 1a12 n ASP 182 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1a12 s HIS 183 N -2.15 0.20 -0.05 1.24 -3.43 -1.26 0.02 115.29 109.87 1a12 s HIS 183 Ca 0.36 -0.54 0.03 0.00 -0.80 0.00 0.00 55.06 54.11 1a12 s HIS 183 Cb 0.37 -0.13 0.00 0.00 -1.43 0.00 0.00 32.58 31.40 1a12 s HIS 183 CO -0.09 -0.42 -0.14 -1.17 -2.00 0.00 0.00 174.74 170.92 1a12 s LEU 184 N -2.37 1.81 -0.03 5.38 2.96 0.12 -1.58 118.68 124.96 1a12 s LEU 184 Ca -0.01 -0.31 0.07 0.00 -0.22 0.00 0.00 54.13 53.66 1a12 s LEU 184 Cb 0.01 -0.85 -0.02 0.00 0.50 0.00 0.00 46.19 45.84 1a12 s LEU 184 CO -0.06 0.10 -0.23 0.68 -1.32 0.00 0.00 176.35 175.51 1a12 s VAL 185 N 0.27 2.25 -0.18 1.68 -7.23 -0.02 -1.59 120.40 115.58 1a12 s VAL 185 Ca -0.07 -1.02 -0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1a12 s VAL 185 Cb -0.12 -1.81 0.05 0.00 0.56 0.00 0.00 36.38 35.06 1a12 s VAL 185 CO 0.02 0.58 -0.03 -0.04 -0.31 0.00 0.00 175.10 175.32 1a12 s MET 186 N -0.54 1.30 -0.28 4.82 -1.94 0.42 -1.63 119.30 121.45 1a12 s MET 186 Ca 0.08 -0.57 -0.20 0.00 -1.71 0.00 0.00 55.69 53.29 1a12 s MET 186 Cb -0.11 -2.10 -0.01 0.00 2.01 0.00 0.00 34.83 34.62 1a12 s MET 186 CO 0.00 -0.50 0.62 -1.17 -0.01 0.00 0.00 175.02 173.97 1a12 s LEU 187 N 1.64 4.10 0.79 -0.03 2.96 -0.31 -0.62 118.68 127.21 1a12 s LEU 187 Ca -0.01 0.55 -0.12 0.00 -0.22 0.00 0.00 54.13 54.33 1a12 s LEU 187 Cb -0.16 -2.82 0.07 0.00 0.50 0.00 0.00 46.19 43.77 1a12 s LEU 187 CO -0.07 -0.43 1.15 0.42 -1.32 0.00 0.00 176.35 176.10 1a12 s THR 188 N 2.55 2.45 0.44 3.68 -4.23 0.22 -0.40 115.64 120.36 1a12 s THR 188 Ca 0.25 0.15 0.09 0.00 -1.18 0.00 0.00 61.69 61.00 1a12 s THR 188 Cb -0.15 -3.11 0.26 0.00 1.34 0.00 0.00 72.50 70.84 1a12 s THR 188 CO 0.10 -0.19 2.07 0.00 -0.54 0.00 0.00 174.62 176.06 1a12 h ALA 189 N -1.00 1.77 -0.01 3.99 0.00 -1.67 0.10 119.26 122.44 1a12 h ALA 189 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1a12 h ALA 189 Cb 1.31 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1a12 h ALA 189 CO 0.65 0.21 0.00 -0.25 0.00 0.00 0.00 179.25 179.85 1a12 n ASP 190 N -4.48 0.67 0.00 0.00 8.00 -1.26 -4.91 116.55 114.57 1a12 n ASP 190 Ca 0.01 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.26 1a12 n ASP 190 Cb 0.08 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1a12 n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a12 n GLY 191 N 1.06 0.67 3.84 0.44 0.00 0.35 -4.79 105.19 106.77 1a12 n GLY 191 Ca 0.21 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 1a12 n GLY 191 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a12 s ASP 192 N -2.56 6.83 -0.38 1.61 1.01 -1.26 0.04 116.67 121.96 1a12 s ASP 192 Ca 0.00 1.30 -0.04 0.00 0.71 0.00 0.00 52.55 54.52 1a12 s ASP 192 Cb 0.00 -2.38 0.08 0.00 1.01 0.00 0.00 42.92 41.63 1a12 s ASP 192 CO 0.00 -0.15 0.16 -0.22 0.21 0.00 0.00 175.17 175.16 1a12 s LEU 193 N -2.76 4.81 -0.02 1.23 2.96 -1.26 -0.61 118.68 123.03 1a12 s LEU 193 Ca 0.52 -1.64 -0.16 0.00 -0.22 0.00 0.00 54.13 52.62 1a12 s LEU 193 Cb -0.12 -1.84 -0.06 0.00 0.50 0.00 0.00 46.19 44.68 1a12 s LEU 193 CO 0.18 -0.45 0.44 -0.31 -1.32 0.00 0.00 176.35 174.89 1a12 s TYR 194 N 1.25 3.69 0.05 5.38 1.51 0.21 -0.43 117.35 129.01 1a12 s TYR 194 Ca 0.03 1.01 0.04 0.00 -1.01 0.00 0.00 57.07 57.13 1a12 s TYR 194 Cb -0.22 -2.37 -0.03 0.00 -0.11 0.00 0.00 41.96 39.24 1a12 s TYR 194 CO -0.01 0.53 -0.11 0.95 -1.11 0.00 0.00 175.55 175.80 1a12 s THR 195 N -0.71 0.84 0.06 -0.71 -4.23 -0.49 -0.43 115.64 109.96 1a12 s THR 195 Ca 0.25 -1.14 -0.20 0.00 -1.18 0.00 0.00 61.69 59.42 1a12 s THR 195 Cb -0.17 -0.84 0.05 0.00 1.34 0.00 0.00 72.50 72.88 1a12 s THR 195 CO 0.13 -0.26 0.48 -1.48 -0.54 0.00 0.00 174.62 172.95 1a12 s LEU 196 N -1.55 0.11 0.00 4.79 0.05 -0.62 -3.57 118.68 117.88 1a12 s LEU 196 Ca -0.05 0.07 0.00 0.00 0.05 0.00 0.00 54.13 54.20 1a12 s LEU 196 Cb -0.09 1.99 0.00 0.00 -2.05 0.00 0.00 46.19 46.04 1a12 s LEU 196 CO 0.01 -0.72 0.00 0.61 -0.55 0.00 0.00 176.35 175.70 1a12 n GLY 197 N 0.35 0.36 3.71 -3.48 0.00 -0.67 -0.70 105.19 104.76 1a12 n GLY 197 Ca -0.18 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 1a12 n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a12 n GLY 199 N 3.25 3.35 0.26 0.00 0.00 -1.26 -4.50 105.19 106.30 1a12 n GLY 199 Ca 0.09 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.60 1a12 n GLY 199 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1a12 h GLU 200 N 0.00 0.00 -0.37 1.61 4.81 -1.91 -1.64 114.58 117.07 1a12 h GLU 200 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1a12 h GLU 200 Cb 0.91 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.29 1a12 h GLU 200 CO 0.00 0.09 0.00 1.04 -0.73 0.00 0.00 179.01 179.41 1a12 n GLN 201 N -4.05 2.54 -0.39 1.92 1.13 -1.26 -4.94 117.38 112.33 1a12 n GLN 201 Ca -0.03 -2.06 0.00 0.00 -1.94 0.00 0.00 57.00 52.97 1a12 n GLN 201 Cb 0.17 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.19 1a12 n GLN 201 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a12 n GLY 202 N 0.79 0.76 0.16 1.08 0.00 -0.62 -2.75 105.19 104.61 1a12 n GLY 202 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 1a12 n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a12 n GLN 203 N -2.22 0.15 0.14 1.61 0.00 -1.26 -0.95 117.38 114.85 1a12 n GLN 203 Ca 0.00 0.60 0.11 0.00 0.00 0.00 0.00 57.00 57.71 1a12 n GLN 203 Cb 0.00 -1.94 0.06 0.00 0.00 0.00 0.00 30.24 28.35 1a12 n GLN 203 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1a12 h LEU 204 N 0.00 0.00 1.11 2.61 3.38 -1.84 -3.42 115.31 117.15 1a12 h LEU 204 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 1a12 h LEU 204 Cb 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.72 1a12 h LEU 204 CO 0.00 0.06 -0.31 0.61 0.09 0.00 0.00 178.44 178.89 1a12 n GLY 205 N 1.17 1.03 0.00 0.83 0.00 -0.13 -4.76 105.19 103.33 1a12 n GLY 205 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1a12 n GLY 205 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1a12 n ARG 206 N -2.53 0.00 -4.11 1.61 1.85 -1.25 -4.45 116.66 107.78 1a12 n ARG 206 Ca -0.16 -0.20 -0.33 0.00 -1.00 0.00 0.00 57.85 56.17 1a12 n ARG 206 Cb 0.53 -0.22 -0.16 0.00 -1.05 0.00 0.00 32.46 31.57 1a12 n ARG 206 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1a12 s VAL 207 N 0.00 2.00 0.61 8.89 1.01 -1.26 -5.08 120.40 126.57 1a12 s VAL 207 Ca 0.00 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.89 1a12 s VAL 207 Cb 0.00 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1a12 s VAL 207 CO 0.00 0.53 1.12 -2.65 0.00 0.00 0.00 175.10 174.09 1a12 n PRO 208 N 4.64 1.04 -0.32 2.72 -0.02 -1.26 -4.80 135.00 136.99 1a12 n PRO 208 Ca -0.20 0.40 -0.04 0.00 -2.02 0.00 0.00 63.50 61.64 1a12 n PRO 208 Cb 0.50 -2.33 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 1a12 n PRO 208 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1a12 n GLU 209 N -1.34 0.64 -2.72 -0.52 2.13 -1.26 -3.06 120.64 114.52 1a12 n GLU 209 Ca 0.14 -0.31 -0.06 0.00 0.66 0.00 0.00 57.16 57.60 1a12 n GLU 209 Cb 0.47 -1.64 0.04 0.00 0.27 0.00 0.00 31.44 30.59 1a12 n GLU 209 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1a12 n LEU 210 N 2.75 1.20 0.00 4.31 7.94 -1.26 -4.59 117.00 127.35 1a12 n LEU 210 Ca 0.13 -3.47 0.00 0.00 -1.11 0.00 0.00 56.01 51.57 1a12 n LEU 210 Cb 0.30 0.41 0.00 0.00 0.53 0.00 0.00 43.42 44.66 1a12 n LEU 210 CO 0.19 1.42 0.00 0.49 -1.11 0.00 0.00 177.39 178.38 1a12 n PHE 211 N -0.30 0.00 0.92 1.96 3.72 -1.17 -4.65 117.46 117.93 1a12 n PHE 211 Ca 0.07 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.59 1a12 n PHE 211 Cb 0.82 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.57 1a12 n PHE 211 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a12 n ALA 212 N 0.00 3.50 -2.86 4.37 0.00 -1.23 -2.39 120.51 121.91 1a12 n ALA 212 Ca 0.00 -0.35 -0.44 0.00 0.00 0.00 0.00 53.44 52.65 1a12 n ALA 212 Cb 0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 1a12 n ALA 212 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1a12 s ASN 213 N -3.22 6.92 -1.57 0.00 2.47 -1.26 -3.75 114.94 114.53 1a12 s ASN 213 Ca 0.10 -2.63 0.00 0.00 0.42 0.00 0.00 52.86 50.74 1a12 s ASN 213 Cb 0.17 -2.44 0.00 0.00 -1.45 0.00 0.00 41.25 37.53 1a12 s ASN 213 CO 0.71 -0.92 0.00 0.54 -3.72 0.00 0.00 177.10 173.71 1a12 n ARG 214 N 6.49 -1.34 -0.94 0.43 1.74 -1.26 -0.73 116.66 121.04 1a12 n ARG 214 Ca 0.36 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 58.35 1a12 n ARG 214 Cb 0.45 -5.32 0.00 0.00 -1.02 0.00 0.00 32.46 26.57 1a12 n ARG 214 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a12 n GLY 215 N -0.97 0.64 7.00 -0.13 0.00 -1.00 -2.71 105.19 108.01 1a12 n GLY 215 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1a12 n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a12 n GLY 216 N -2.08 3.64 0.21 -0.02 0.00 0.09 -1.97 105.19 105.06 1a12 n GLY 216 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.03 1a12 n GLY 216 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a12 h ARG 217 N 0.00 0.00 -0.00 1.61 0.11 -1.89 -2.77 114.38 111.44 1a12 h ARG 217 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1a12 h ARG 217 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1a12 h ARG 217 CO 0.00 0.27 -0.13 1.04 0.10 0.00 0.00 179.97 181.26 1a12 n GLN 218 N -3.54 0.43 -1.47 0.08 6.02 -0.83 -5.02 117.38 113.04 1a12 n GLN 218 Ca -0.01 -0.13 0.20 0.00 -0.01 0.00 0.00 57.00 57.06 1a12 n GLN 218 Cb 0.42 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.13 1a12 n GLN 218 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1a12 n GLY 219 N 1.35 -2.05 0.28 1.08 0.00 -1.05 -4.26 105.19 100.55 1a12 n GLY 219 Ca 0.12 -1.14 0.14 0.00 0.00 0.00 0.00 46.02 45.14 1a12 n GLY 219 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a12 h LEU 220 N -1.37 0.00 -1.65 0.99 -0.00 -1.84 -2.61 115.31 108.83 1a12 h LEU 220 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1a12 h LEU 220 Cb 1.35 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.00 1a12 h LEU 220 CO 0.02 0.00 -0.06 -0.33 -0.00 0.00 0.00 178.44 178.06 1a12 h GLU 221 N 0.00 0.00 0.00 1.13 5.08 -1.90 0.69 114.58 119.59 1a12 h GLU 221 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a12 h GLU 221 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1a12 h GLU 221 CO 0.00 0.06 0.00 -2.13 -1.00 0.00 0.00 179.01 175.94 1a12 n ARG 222 N -3.23 0.09 -0.05 2.33 3.00 -0.98 -2.66 116.66 115.15 1a12 n ARG 222 Ca -0.00 0.22 -0.06 0.00 -0.00 0.00 0.00 57.85 58.01 1a12 n ARG 222 Cb 0.29 -1.64 -0.07 0.00 0.00 0.00 0.00 32.46 31.04 1a12 n ARG 222 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1a12 n LEU 223 N -1.80 0.74 -0.00 6.15 4.77 -0.20 -4.76 117.00 121.90 1a12 n LEU 223 Ca 0.04 -0.02 0.03 0.00 -0.03 0.00 0.00 56.01 56.04 1a12 n LEU 223 Cb 0.27 0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.32 1a12 n LEU 223 CO 0.21 0.35 -0.60 0.18 -1.33 0.00 0.00 177.39 176.21 1a12 n LEU 224 N -2.48 0.37 -4.67 2.23 4.77 0.06 -1.68 117.00 115.61 1a12 n LEU 224 Ca -0.17 0.16 -0.43 0.00 -0.03 0.00 0.00 56.01 55.54 1a12 n LEU 224 Cb 0.79 0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.98 1a12 n LEU 224 CO 0.18 0.12 0.94 -0.69 -1.33 0.00 0.00 177.39 176.62 1a12 s VAL 225 N -3.10 4.49 -0.22 4.08 1.01 -1.09 -4.77 120.40 120.80 1a12 s VAL 225 Ca -0.06 1.79 -0.38 0.00 0.00 0.00 0.00 61.98 63.34 1a12 s VAL 225 Cb 0.10 -4.15 -0.14 0.00 0.00 0.00 0.00 36.38 32.19 1a12 s VAL 225 CO 0.85 -0.08 1.84 -2.65 0.00 0.00 0.00 175.10 175.06 1a12 n PRO 226 N 5.82 1.51 -4.12 2.72 -0.02 -1.26 -4.86 135.00 134.80 1a12 n PRO 226 Ca 0.12 0.54 -0.10 0.00 -2.02 0.00 0.00 63.50 62.04 1a12 n PRO 226 Cb 0.46 -2.33 -0.10 0.00 -0.02 0.00 0.00 33.50 31.51 1a12 n PRO 226 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1a12 s LYS 227 N 4.03 0.68 -0.05 -0.52 1.02 -1.23 -4.97 119.74 118.70 1a12 s LYS 227 Ca 0.98 -1.14 -0.04 0.00 0.02 0.00 0.00 55.97 55.78 1a12 s LYS 227 Cb -0.92 -0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 36.24 1a12 s LYS 227 CO 0.59 -0.03 0.16 0.00 -0.92 0.00 0.00 175.35 175.16 1a12 s VAL 229 N -1.20 3.30 -0.35 0.00 1.01 0.42 -4.94 120.40 118.64 1a12 s VAL 229 Ca 0.22 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.72 1a12 s VAL 229 Cb -0.12 -3.34 0.09 0.00 0.00 0.00 0.00 36.38 33.01 1a12 s VAL 229 CO 0.13 -0.03 0.10 -0.04 0.00 0.00 0.00 175.10 175.25 1a12 s MET 230 N 3.58 2.04 -0.18 2.72 -1.94 -1.26 -4.69 119.30 119.57 1a12 s MET 230 Ca 0.76 -1.64 -0.03 0.00 -1.71 0.00 0.00 55.69 53.07 1a12 s MET 230 Cb -0.37 -3.35 -0.01 0.00 2.01 0.00 0.00 34.83 33.10 1a12 s MET 230 CO 0.32 -0.88 -0.07 -0.51 -0.01 0.00 0.00 175.02 173.87 1a12 s LEU 231 N 1.12 2.89 -0.36 -0.03 1.43 -1.26 -5.02 118.68 117.46 1a12 s LEU 231 Ca 0.04 -0.33 -0.28 0.00 -1.03 0.00 0.00 54.13 52.53 1a12 s LEU 231 Cb -0.21 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1a12 s LEU 231 CO -0.04 0.07 1.96 -0.75 0.23 0.00 0.00 176.35 177.82 1a12 s LYS 232 N 0.95 3.07 0.19 1.70 2.36 -1.26 -0.72 119.74 126.02 1a12 s LYS 232 Ca -0.01 1.44 -0.29 0.00 -2.55 0.00 0.00 55.97 54.56 1a12 s LYS 232 Cb -0.15 -4.30 -0.17 0.00 -1.05 0.00 0.00 37.83 32.16 1a12 s LYS 232 CO 0.00 -2.18 0.64 0.45 1.55 0.00 0.00 175.35 175.81 1a12 n SER 233 N 11.51 -0.81 -3.57 1.43 2.88 -0.99 -4.81 113.62 119.26 1a12 n SER 233 Ca 0.25 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.93 1a12 n SER 233 Cb 0.48 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 1a12 n SER 233 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1a12 n ARG 234 N 1.04 -0.16 -3.17 -1.46 5.12 -1.26 -3.50 116.66 113.26 1a12 n ARG 234 Ca 0.17 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 56.02 1a12 n ARG 234 Cb 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.54 1a12 n ARG 234 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1a12 n GLY 235 N 0.15 -0.26 0.00 -0.13 0.00 -1.26 -1.78 105.19 101.92 1a12 n GLY 235 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1a12 n GLY 235 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a12 n SER 236 N -0.05 0.00 0.00 1.61 7.64 -1.25 -4.88 113.62 116.68 1a12 n SER 236 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1a12 n SER 236 Cb 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1a12 n SER 236 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1a12 n ARG 237 N 0.00 3.83 0.00 1.43 0.63 -0.73 -5.05 116.66 116.77 1a12 n ARG 237 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1a12 n ARG 237 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1a12 n ARG 237 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1a12 n GLY 238 N 5.00 1.28 3.36 5.14 0.00 -1.26 -4.55 105.19 114.16 1a12 n GLY 238 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1a12 n GLY 238 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1a12 s HIS 239 N 0.00 2.05 0.24 1.61 -3.43 -1.26 -2.34 115.29 112.16 1a12 s HIS 239 Ca 0.00 -0.41 -0.30 0.00 -0.80 0.00 0.00 55.06 53.56 1a12 s HIS 239 Cb 0.00 -1.05 -0.09 0.00 -1.43 0.00 0.00 32.58 30.01 1a12 s HIS 239 CO 0.00 0.37 1.22 0.08 -2.00 0.00 0.00 174.74 174.41 1a12 s VAL 240 N -1.61 3.29 0.20 -5.38 1.01 0.10 -4.67 120.40 113.35 1a12 s VAL 240 Ca 0.15 1.17 0.11 0.00 0.00 0.00 0.00 61.98 63.42 1a12 s VAL 240 Cb -0.08 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1a12 s VAL 240 CO 0.07 0.23 -0.23 -0.13 0.00 0.00 0.00 175.10 175.04 1a12 s ARG 241 N -0.85 1.56 0.06 2.72 0.52 -1.26 -4.71 118.95 116.98 1a12 s ARG 241 Ca 0.51 -1.53 0.09 0.00 -0.52 0.00 0.00 55.73 54.28 1a12 s ARG 241 Cb -0.35 -1.86 -0.03 0.00 0.52 0.00 0.00 34.95 33.23 1a12 s ARG 241 CO 0.41 0.40 -0.26 -0.06 0.02 0.00 0.00 175.30 175.82 1a12 s PHE 242 N -1.72 2.35 -0.72 -0.53 0.08 0.11 -1.37 117.98 116.18 1a12 s PHE 242 Ca 0.22 -0.39 0.21 0.00 0.12 0.00 0.00 56.93 57.09 1a12 s PHE 242 Cb -0.08 -1.38 -0.23 0.00 -0.57 0.00 0.00 43.02 40.77 1a12 s PHE 242 CO 0.10 0.17 0.81 0.00 -0.10 0.00 0.00 175.22 176.20 1a12 n GLN 243 N 1.63 0.19 -3.54 0.44 10.64 0.10 -4.37 117.38 122.48 1a12 n GLN 243 Ca -0.17 -0.05 -0.09 0.00 -1.83 0.00 0.00 57.00 54.86 1a12 n GLN 243 Cb 0.52 -1.51 -0.02 0.00 -0.86 0.00 0.00 30.24 28.37 1a12 n GLN 243 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1a12 s ASP 244 N -3.47 -0.40 -0.20 2.61 -1.08 -1.17 -5.00 116.67 107.96 1a12 s ASP 244 Ca 0.04 -0.10 -0.25 0.00 -0.52 0.00 0.00 52.55 51.71 1a12 s ASP 244 Cb 0.15 0.50 0.07 0.00 -1.46 0.00 0.00 42.92 42.18 1a12 s ASP 244 CO 0.87 -0.84 0.68 0.00 0.52 0.00 0.00 175.17 176.41 1a12 s ALA 245 N -3.42 -1.70 0.05 3.66 0.00 -1.26 -1.16 121.76 117.94 1a12 s ALA 245 Ca 0.05 1.76 -0.01 0.00 0.00 0.00 0.00 51.96 53.76 1a12 s ALA 245 Cb -0.01 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1a12 s ALA 245 CO -0.08 -0.33 -0.02 -0.06 0.00 0.00 0.00 175.76 175.27 1a12 s PHE 246 N -0.04 0.50 0.11 0.00 0.40 -0.17 -4.89 117.98 113.88 1a12 s PHE 246 Ca -0.03 -1.05 0.09 0.00 -0.60 0.00 0.00 56.93 55.34 1a12 s PHE 246 Cb -0.04 -0.37 -0.04 0.00 0.51 0.00 0.00 43.02 43.08 1a12 s PHE 246 CO 0.03 -0.39 -0.22 0.00 0.70 0.00 0.00 175.22 175.35 1a12 n GLY 248 N 1.06 2.95 0.10 0.00 0.00 -0.08 -4.01 105.19 105.21 1a12 n GLY 248 Ca -0.19 -2.14 -0.10 0.00 0.00 0.00 0.00 46.02 43.58 1a12 n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a12 h ALA 249 N 0.57 0.23 0.00 4.61 0.00 -1.31 -3.31 119.26 120.06 1a12 h ALA 249 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1a12 h ALA 249 Cb 0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 17.54 1a12 h ALA 249 CO 0.00 -0.27 -0.70 0.66 0.00 0.00 0.00 179.25 178.94 1a12 n TYR 250 N -4.94 0.00 -3.71 0.00 4.01 -1.26 -0.39 117.16 110.87 1a12 n TYR 250 Ca -0.04 -0.83 -0.10 0.00 -0.16 0.00 0.00 57.90 56.77 1a12 n TYR 250 Cb 0.04 -0.17 -0.04 0.00 -0.31 0.00 0.00 39.34 38.86 1a12 n TYR 250 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1a12 s PHE 251 N -1.38 -0.13 0.01 -0.72 -0.71 -1.24 -1.00 117.98 112.81 1a12 s PHE 251 Ca 0.31 -0.20 0.02 0.00 -1.04 0.00 0.00 56.93 56.01 1a12 s PHE 251 Cb 0.33 0.32 -0.01 0.00 -1.21 0.00 0.00 43.02 42.45 1a12 s PHE 251 CO -0.10 -0.83 -0.06 0.99 -1.34 0.00 0.00 175.22 173.89 1a12 s THR 252 N -3.85 0.42 -0.07 -4.49 2.01 0.44 -0.91 115.64 109.19 1a12 s THR 252 Ca 0.07 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 61.72 1a12 s THR 252 Cb 0.00 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 72.11 1a12 s THR 252 CO -0.06 0.00 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.32 1a12 s PHE 253 N -0.39 2.59 -0.04 4.92 0.08 -0.22 -1.55 117.98 123.37 1a12 s PHE 253 Ca -0.01 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.49 1a12 s PHE 253 Cb -0.04 -1.66 0.03 0.00 -0.57 0.00 0.00 43.02 40.78 1a12 s PHE 253 CO -0.00 -0.11 -0.01 0.00 -0.10 0.00 0.00 175.22 175.00 1a12 s ALA 254 N -0.20 0.43 -0.27 5.36 0.00 -0.09 -1.00 121.76 125.98 1a12 s ALA 254 Ca -0.01 0.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.93 1a12 s ALA 254 Cb -0.13 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 1a12 s ALA 254 CO 0.03 -0.12 0.19 0.42 0.00 0.00 0.00 175.76 176.28 1a12 s ILE 255 N 1.14 5.32 0.90 0.00 1.01 -0.31 -0.34 121.20 128.93 1a12 s ILE 255 Ca -0.08 0.17 -0.12 0.00 0.00 0.00 0.00 60.65 60.62 1a12 s ILE 255 Cb -0.14 -3.53 0.13 0.00 0.01 0.00 0.00 42.46 38.94 1a12 s ILE 255 CO -0.02 0.26 1.12 -0.94 0.00 0.00 0.00 174.94 175.36 1a12 s SER 256 N 1.66 3.54 0.57 3.58 1.04 -0.05 0.02 113.70 124.06 1a12 s SER 256 Ca 0.07 1.13 0.30 0.00 0.48 0.00 0.00 55.95 57.92 1a12 s SER 256 Cb -0.16 -1.77 1.72 0.00 0.10 0.00 0.00 66.02 65.91 1a12 s SER 256 CO 0.10 -2.55 2.19 0.45 0.98 0.00 0.00 173.24 174.41 1a12 h HIS 257 N -1.49 0.00 -0.06 5.02 3.86 -1.53 0.56 115.15 121.51 1a12 h HIS 257 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1a12 h HIS 257 Cb 1.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.78 1a12 h HIS 257 CO 0.34 0.04 0.00 0.39 0.86 0.00 0.00 177.93 179.57 1a12 n GLU 258 N -3.73 1.23 -1.16 2.45 -0.58 -1.26 -4.92 120.64 112.67 1a12 n GLU 258 Ca -0.03 -0.35 -0.05 0.00 -0.42 0.00 0.00 57.16 56.31 1a12 n GLU 258 Cb 0.14 -1.27 -0.02 0.00 -0.57 0.00 0.00 31.44 29.71 1a12 n GLU 258 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a12 n GLY 259 N 0.85 0.66 3.76 0.62 0.00 0.20 -4.99 105.19 106.29 1a12 n GLY 259 Ca 0.12 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1a12 n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a12 s HIS 260 N -1.77 3.48 -0.22 1.61 3.76 -1.26 -4.71 115.29 116.18 1a12 s HIS 260 Ca 0.00 1.68 -0.17 0.00 -0.15 0.00 0.00 55.06 56.42 1a12 s HIS 260 Cb 0.00 -3.25 -0.03 0.00 1.11 0.00 0.00 32.58 30.41 1a12 s HIS 260 CO 0.00 -0.60 0.45 0.08 -0.85 0.00 0.00 174.74 173.82 1a12 s VAL 261 N -1.29 5.15 0.12 -0.90 1.01 -1.26 -0.87 120.40 122.34 1a12 s VAL 261 Ca 0.48 0.78 0.05 0.00 0.00 0.00 0.00 61.98 63.30 1a12 s VAL 261 Cb -0.29 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1a12 s VAL 261 CO 0.38 0.18 0.03 -0.31 0.00 0.00 0.00 175.10 175.38 1a12 s TYR 262 N 1.71 3.01 0.00 5.22 1.51 0.54 -0.67 117.35 128.67 1a12 s TYR 262 Ca 0.20 -0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.23 1a12 s TYR 262 Cb -0.15 -1.51 -0.00 0.00 -0.11 0.00 0.00 41.96 40.18 1a12 s TYR 262 CO 0.09 0.50 -0.01 0.20 -1.11 0.00 0.00 175.55 175.21 1a12 s GLY 263 N -2.56 0.07 -0.03 0.71 0.00 -0.68 -0.92 107.32 103.91 1a12 s GLY 263 Ca 0.27 -0.10 -0.11 0.00 0.00 0.00 0.00 44.72 44.79 1a12 s GLY 263 CO 0.20 -0.10 0.25 -0.11 0.00 0.00 0.00 173.10 173.34 1a12 s PHE 264 N -0.16 -0.15 0.00 1.90 -0.71 -0.60 -0.63 117.98 117.63 1a12 s PHE 264 Ca -0.01 0.28 0.00 0.00 -1.04 0.00 0.00 56.93 56.16 1a12 s PHE 264 Cb -0.01 0.06 0.00 0.00 -1.21 0.00 0.00 43.02 41.85 1a12 s PHE 264 CO -0.00 -0.29 0.00 0.41 -1.34 0.00 0.00 175.22 174.00 1a12 n GLY 265 N 1.82 0.33 3.71 1.99 0.00 0.25 -0.42 105.19 112.87 1a12 n GLY 265 Ca -0.19 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.12 1a12 n GLY 265 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a12 s LEU 266 N 0.00 4.38 -0.31 0.99 2.96 -0.17 -0.64 118.68 125.89 1a12 s LEU 266 Ca 0.00 2.71 0.18 0.00 -0.22 0.00 0.00 54.13 56.80 1a12 s LEU 266 Cb 0.00 -3.58 0.47 0.00 0.50 0.00 0.00 46.19 43.58 1a12 s LEU 266 CO 0.00 -0.93 1.03 -0.24 -1.32 0.00 0.00 176.35 174.89 1a12 n SER 267 N 4.73 1.94 0.26 3.68 2.88 -1.26 -4.48 113.62 121.38 1a12 n SER 267 Ca 0.16 -2.64 0.16 0.00 -1.33 0.00 0.00 58.87 55.22 1a12 n SER 267 Cb 0.38 -0.50 0.54 0.00 -0.75 0.00 0.00 64.21 63.88 1a12 n SER 267 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1a12 h ASN 268 N 2.80 0.00 -0.02 -3.46 -1.07 -1.88 -2.08 115.58 109.87 1a12 h ASN 268 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.31 1a12 h ASN 268 Cb 1.20 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.45 1a12 h ASN 268 CO 0.45 0.00 -0.30 -1.22 0.07 0.00 0.00 177.43 176.42 1a12 n TYR 269 N -3.09 0.08 -1.66 4.14 4.01 -1.26 -4.77 117.16 114.61 1a12 n TYR 269 Ca 0.02 -1.33 -0.14 0.00 -0.16 0.00 0.00 57.90 56.29 1a12 n TYR 269 Cb 0.37 -0.23 -0.04 0.00 -0.31 0.00 0.00 39.34 39.12 1a12 n TYR 269 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1a12 n HIS 270 N -1.21 -0.20 0.31 -0.72 8.25 -0.78 -3.53 115.22 117.34 1a12 n HIS 270 Ca 0.19 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.85 1a12 n HIS 270 Cb 0.70 -2.64 1.02 0.00 1.12 0.00 0.00 29.99 30.18 1a12 n HIS 270 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 1a12 h GLN 271 N 0.00 0.00 0.00 -0.41 -0.00 -1.81 0.45 115.11 113.34 1a12 h GLN 271 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.35 1a12 h GLN 271 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.49 1a12 h GLN 271 CO 0.41 0.00 -0.30 1.28 -0.00 0.00 0.00 178.83 180.22 1a12 n LEU 272 N -3.03 0.32 -0.23 0.06 4.77 -1.26 -4.56 117.00 113.08 1a12 n LEU 272 Ca -0.02 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1a12 n LEU 272 Cb 0.15 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1a12 n LEU 272 CO 0.22 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1a12 n GLY 273 N 1.49 0.93 3.48 -0.72 0.00 0.15 -4.92 105.19 105.60 1a12 n GLY 273 Ca 0.06 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 1a12 n GLY 273 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a12 s THR 274 N -2.45 2.76 0.18 2.61 -4.23 -1.25 -4.53 115.64 108.73 1a12 s THR 274 Ca 0.00 -1.63 -0.12 0.00 -1.18 0.00 0.00 61.69 58.76 1a12 s THR 274 Cb 0.00 -2.29 0.09 0.00 1.34 0.00 0.00 72.50 71.64 1a12 s THR 274 CO 0.00 0.03 1.77 -0.65 -0.54 0.00 0.00 174.62 175.23 1a12 h PRO 275 N 3.54 0.88 -6.90 3.99 0.11 -1.94 -3.44 132.00 128.25 1a12 h PRO 275 Ca -0.49 -0.13 -0.45 0.00 0.11 0.00 0.00 66.00 65.04 1a12 h PRO 275 Cb 1.18 -0.16 0.06 0.00 0.11 0.00 0.00 31.00 32.19 1a12 h PRO 275 CO 0.47 0.70 -0.00 0.20 -0.21 0.00 0.00 178.00 179.16 1a12 s GLY 276 N -3.04 1.80 -0.27 -0.55 0.00 -1.26 -5.00 107.32 99.00 1a12 s GLY 276 Ca -0.13 -1.62 0.12 0.00 0.00 0.00 0.00 44.72 43.09 1a12 s GLY 276 CO 0.79 -1.20 1.59 -1.30 0.00 0.00 0.00 173.10 172.97 1a12 n THR 277 N -2.49 2.63 -3.54 0.90 -2.24 -1.26 -4.58 114.28 103.70 1a12 n THR 277 Ca 0.12 -2.04 -0.37 0.00 -2.27 0.00 0.00 64.05 59.49 1a12 n THR 277 Cb 0.60 -0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.45 1a12 n THR 277 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1a12 s GLU 278 N -3.02 4.13 0.35 -0.78 0.41 -1.26 -3.74 118.70 114.78 1a12 s GLU 278 Ca 0.48 0.17 -0.27 0.00 -0.41 0.00 0.00 54.97 54.95 1a12 s GLU 278 Cb 0.40 -3.37 -0.12 0.00 -1.78 0.00 0.00 34.13 29.26 1a12 s GLU 278 CO 0.08 0.37 1.06 0.43 -0.49 0.00 0.00 175.26 176.71 1a12 n SER 279 N 3.10 1.58 -4.39 -0.19 7.64 -1.26 -4.41 113.62 115.69 1a12 n SER 279 Ca -0.12 1.13 -0.43 0.00 1.01 0.00 0.00 58.87 60.47 1a12 n SER 279 Cb 0.52 -1.35 -0.09 0.00 -1.01 0.00 0.00 64.21 62.28 1a12 n SER 279 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a12 h PHE 281 N 8.59 0.00 -3.39 0.00 -1.00 -1.82 0.74 116.94 120.06 1a12 h PHE 281 Ca -0.27 0.00 -0.66 0.00 2.81 0.00 0.00 57.97 59.86 1a12 h PHE 281 Cb 1.11 0.00 -0.19 0.00 3.61 0.00 0.00 35.95 40.48 1a12 h PHE 281 CO 0.59 0.29 -0.66 0.42 -1.61 0.00 0.00 178.31 177.34 1a12 s ILE 282 N -3.12 3.99 0.19 -0.55 -1.09 -1.26 -3.95 121.20 115.41 1a12 s ILE 282 Ca 0.00 -0.35 -0.33 0.00 -2.23 0.00 0.00 60.65 57.75 1a12 s ILE 282 Cb 0.08 -2.70 -0.14 0.00 -1.58 0.00 0.00 42.46 38.12 1a12 s ILE 282 CO 0.78 0.55 1.39 -2.65 -1.23 0.00 0.00 174.94 173.77 1a12 n PRO 283 N 2.86 1.81 -4.40 2.79 -0.02 -1.26 -4.81 135.00 131.98 1a12 n PRO 283 Ca -0.18 0.65 -0.32 0.00 -2.02 0.00 0.00 63.50 61.63 1a12 n PRO 283 Cb 0.53 -2.30 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 1a12 n PRO 283 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1a12 s GLN 284 N -0.03 2.63 -0.40 -0.52 -1.52 0.19 -4.90 119.66 115.12 1a12 s GLN 284 Ca 0.73 -0.68 -0.26 0.00 -1.95 0.00 0.00 55.36 53.20 1a12 s GLN 284 Cb -0.72 -2.56 0.02 0.00 -0.22 0.00 0.00 33.01 29.53 1a12 s GLN 284 CO 0.47 0.61 0.93 1.21 -0.25 0.00 0.00 175.29 178.27 1a12 s ASN 285 N -1.46 6.63 -0.86 5.90 3.84 -1.26 -1.68 114.94 126.05 1a12 s ASN 285 Ca 0.18 0.45 -0.24 0.00 0.21 0.00 0.00 52.86 53.45 1a12 s ASN 285 Cb -0.11 -2.46 0.05 0.00 -0.55 0.00 0.00 41.25 38.18 1a12 s ASN 285 CO 0.08 -0.93 1.30 -0.76 -2.79 0.00 0.00 177.10 174.01 1a12 s LEU 286 N 3.59 3.59 0.49 3.21 1.43 0.15 -4.85 118.68 126.30 1a12 s LEU 286 Ca 0.38 -1.04 0.20 0.00 -1.03 0.00 0.00 54.13 52.64 1a12 s LEU 286 Cb -0.11 -2.53 1.26 0.00 0.03 0.00 0.00 46.19 44.83 1a12 s LEU 286 CO 0.21 -1.60 2.07 0.71 0.23 0.00 0.00 176.35 177.97 1a12 h THR 287 N 6.31 0.90 -0.08 5.49 1.35 -1.87 -2.26 112.91 122.76 1a12 h THR 287 Ca -0.06 -0.43 0.02 0.00 -0.55 0.00 0.00 66.41 65.40 1a12 h THR 287 Cb 1.03 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1a12 h THR 287 CO 1.31 0.11 0.16 0.77 -0.25 0.00 0.00 175.52 177.62 1a12 h SER 288 N 0.00 0.00 0.09 5.36 4.64 -1.89 0.56 113.55 122.31 1a12 h SER 288 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a12 h SER 288 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1a12 h SER 288 CO 0.02 0.00 -0.30 0.49 -0.87 0.00 0.00 176.83 176.16 1a12 n PHE 289 N -3.39 0.00 -2.11 4.77 3.01 -0.85 -4.65 117.46 114.24 1a12 n PHE 289 Ca -0.01 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.02 1a12 n PHE 289 Cb 0.24 -0.05 -0.02 0.00 -0.01 0.00 0.00 39.48 39.64 1a12 n PHE 289 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1a12 s LYS 290 N -2.41 3.51 -0.17 -1.08 1.02 0.19 -4.96 119.74 115.83 1a12 s LYS 290 Ca 0.24 1.37 -0.11 0.00 0.02 0.00 0.00 55.97 57.49 1a12 s LYS 290 Cb 0.19 -4.12 0.05 0.00 -0.52 0.00 0.00 37.83 33.44 1a12 s LYS 290 CO 0.51 -1.65 0.42 1.21 -0.92 0.00 0.00 175.35 174.92 1a12 s ASN 291 N 5.12 -0.51 0.46 2.83 3.84 -1.26 -5.04 114.94 120.38 1a12 s ASN 291 Ca 0.73 0.89 0.18 0.00 0.21 0.00 0.00 52.86 54.88 1a12 s ASN 291 Cb -0.21 0.81 1.11 0.00 -0.55 0.00 0.00 41.25 42.41 1a12 s ASN 291 CO 0.32 -0.18 2.01 0.28 -2.79 0.00 0.00 177.10 176.74 1a12 h SER 292 N 6.69 0.00 -0.01 -4.21 0.02 -2.04 -2.90 113.55 111.11 1a12 h SER 292 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1a12 h SER 292 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1a12 h SER 292 CO 0.28 0.17 -0.40 0.35 -1.14 0.00 0.00 176.83 176.09 1a12 n THR 293 N -4.14 0.00 -3.83 -2.27 -2.24 -1.26 -4.90 114.28 95.65 1a12 n THR 293 Ca -0.02 -0.30 -0.36 0.00 -2.27 0.00 0.00 64.05 61.09 1a12 n THR 293 Cb 0.25 1.12 -0.13 0.00 -2.10 0.00 0.00 70.33 69.47 1a12 n THR 293 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1a12 s LYS 294 N -1.90 2.51 -0.35 -0.78 1.02 -1.10 -4.96 119.74 114.18 1a12 s LYS 294 Ca 0.10 -1.24 -0.17 0.00 0.02 0.00 0.00 55.97 54.68 1a12 s LYS 294 Cb 0.11 -3.33 -0.01 0.00 -0.52 0.00 0.00 37.83 34.08 1a12 s LYS 294 CO 0.42 -0.66 0.43 0.45 -0.92 0.00 0.00 175.35 175.07 1a12 s SER 295 N 1.36 6.23 -0.17 2.83 0.15 -1.26 -4.59 113.70 118.24 1a12 s SER 295 Ca -0.03 -0.19 -0.29 0.00 0.70 0.00 0.00 55.95 56.14 1a12 s SER 295 Cb -0.20 -2.23 -0.02 0.00 -1.71 0.00 0.00 66.02 61.87 1a12 s SER 295 CO 0.01 -0.42 1.36 0.26 1.20 0.00 0.00 173.24 175.65 1a12 s TRP 296 N 2.18 2.63 -0.03 3.44 0.52 -1.26 -0.25 118.94 126.17 1a12 s TRP 296 Ca 0.15 0.82 0.03 0.00 0.02 0.00 0.00 56.10 57.11 1a12 s TRP 296 Cb -0.16 -3.67 -0.04 0.00 -1.15 0.00 0.00 33.47 28.45 1a12 s TRP 296 CO 0.12 -2.14 0.02 1.33 0.02 0.00 0.00 176.95 176.30 1a12 n VAL 297 N 5.60 0.19 -3.83 4.03 0.24 -0.40 -4.91 118.33 119.24 1a12 n VAL 297 Ca 0.15 -0.12 -0.12 0.00 -2.04 0.00 0.00 64.34 62.20 1a12 n VAL 297 Cb 0.45 -0.81 -0.12 0.00 -1.47 0.00 0.00 33.84 31.89 1a12 n VAL 297 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1a12 s GLY 298 N -3.29 -0.08 0.03 7.63 0.00 -0.92 -4.99 107.32 105.70 1a12 s GLY 298 Ca -0.01 0.30 0.01 0.00 0.00 0.00 0.00 44.72 45.02 1a12 s GLY 298 CO 0.13 0.22 -0.06 -1.36 0.00 0.00 0.00 173.10 172.03 1a12 s PHE 299 N -0.30 0.51 0.12 1.90 0.40 -1.26 -0.60 117.98 118.75 1a12 s PHE 299 Ca -0.04 -0.50 -0.22 0.00 -0.60 0.00 0.00 56.93 55.57 1a12 s PHE 299 Cb -0.03 -0.32 0.06 0.00 0.51 0.00 0.00 43.02 43.24 1a12 s PHE 299 CO 0.01 -0.12 0.54 -1.54 0.70 0.00 0.00 175.22 174.80 1a12 s SER 300 N -1.51 -0.47 -0.28 1.36 1.04 -0.20 -4.70 113.70 108.94 1a12 s SER 300 Ca -0.12 -0.01 -0.22 0.00 0.48 0.00 0.00 55.95 56.08 1a12 s SER 300 Cb -0.10 0.55 0.10 0.00 0.10 0.00 0.00 66.02 66.67 1a12 s SER 300 CO -0.00 -0.88 0.86 -0.83 0.98 0.00 0.00 173.24 173.37 1a12 s GLY 301 N -2.55 -0.35 0.00 7.32 0.00 -1.26 -1.21 107.32 109.29 1a12 s GLY 301 Ca -0.00 2.50 0.00 0.00 0.00 0.00 0.00 44.72 47.22 1a12 s GLY 301 CO -0.10 2.04 0.00 0.61 0.00 0.00 0.00 173.10 175.66 1a12 n GLY 302 N 3.02 1.31 0.09 0.20 0.00 0.15 -2.75 105.19 107.20 1a12 n GLY 302 Ca -0.15 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 1a12 n GLY 302 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1a12 h GLN 303 N 0.00 0.19 0.00 1.61 4.20 -1.58 -2.82 115.11 116.71 1a12 h GLN 303 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1a12 h GLN 303 Cb 0.00 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1a12 h GLN 303 CO 0.00 0.20 -0.00 0.72 -0.67 0.00 0.00 178.83 179.08 1a12 n HIS 304 N -4.95 0.00 -3.88 2.96 8.25 -1.26 -4.73 115.22 111.61 1a12 n HIS 304 Ca -0.05 -0.32 -0.09 0.00 -0.26 0.00 0.00 57.72 57.01 1a12 n HIS 304 Cb 0.07 -0.03 -0.08 0.00 1.12 0.00 0.00 29.99 31.07 1a12 n HIS 304 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1a12 s HIS 305 N -0.64 0.18 -0.04 4.41 -3.43 -1.26 -1.22 115.29 113.30 1a12 s HIS 305 Ca 0.00 -0.61 0.02 0.00 -0.80 0.00 0.00 55.06 53.68 1a12 s HIS 305 Cb 0.00 -0.09 0.01 0.00 -1.43 0.00 0.00 32.58 31.07 1a12 s HIS 305 CO 0.00 -0.51 -0.10 0.99 -2.00 0.00 0.00 174.74 173.12 1a12 s THR 306 N -3.74 0.87 -0.11 -5.38 2.01 -0.62 -0.68 115.64 107.99 1a12 s THR 306 Ca 0.04 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.69 1a12 s THR 306 Cb 0.05 -0.79 -0.00 0.00 0.01 0.00 0.00 72.50 71.77 1a12 s THR 306 CO -0.10 0.28 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.20 1a12 s VAL 307 N 0.37 2.27 0.26 3.82 1.01 -0.35 -1.65 120.40 126.13 1a12 s VAL 307 Ca -0.07 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1a12 s VAL 307 Cb -0.11 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 1a12 s VAL 307 CO 0.01 0.55 0.12 0.00 0.00 0.00 0.00 175.10 175.78 1a12 s MET 309 N -4.00 0.46 0.66 0.00 0.23 0.23 -0.65 119.30 116.23 1a12 s MET 309 Ca 0.37 -0.07 0.05 0.00 -1.03 0.00 0.00 55.69 55.01 1a12 s MET 309 Cb 0.07 0.20 0.12 0.00 -1.53 0.00 0.00 34.83 33.69 1a12 s MET 309 CO 0.14 -0.10 0.91 0.16 -2.03 0.00 0.00 175.02 174.10 1a12 s ASP 310 N -0.81 4.66 0.00 -1.18 1.47 -0.75 -1.28 116.67 118.79 1a12 s ASP 310 Ca -0.09 -0.70 0.17 0.00 1.18 0.00 0.00 52.55 53.11 1a12 s ASP 310 Cb -0.05 0.30 0.80 0.00 -0.34 0.00 0.00 42.92 43.64 1a12 s ASP 310 CO 0.02 -1.66 1.53 -1.54 0.68 0.00 0.00 175.17 174.19 1a12 n SER 311 N -2.56 0.00 -1.46 2.11 3.41 0.66 -3.61 113.62 112.17 1a12 n SER 311 Ca 0.16 0.26 -0.07 0.00 -0.26 0.00 0.00 58.87 58.97 1a12 n SER 311 Cb 0.61 -0.39 0.22 0.00 -0.26 0.00 0.00 64.21 64.40 1a12 n SER 311 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1a12 n GLU 312 N -1.39 2.36 -1.61 4.33 1.02 -1.26 -4.92 120.64 119.17 1a12 n GLU 312 Ca 0.06 -3.08 -0.03 0.00 -0.02 0.00 0.00 57.16 54.09 1a12 n GLU 312 Cb 0.17 -1.95 -0.01 0.00 -0.02 0.00 0.00 31.44 29.63 1a12 n GLU 312 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a12 n GLY 313 N -0.90 0.41 3.29 0.62 0.00 -1.24 -4.89 105.19 102.49 1a12 n GLY 313 Ca 0.38 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 1a12 n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a12 s LYS 314 N -3.28 2.49 0.03 1.61 1.02 -1.26 -1.05 119.74 119.30 1a12 s LYS 314 Ca 0.00 -0.89 0.04 0.00 0.02 0.00 0.00 55.97 55.14 1a12 s LYS 314 Cb 0.00 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 35.11 1a12 s LYS 314 CO 0.00 0.42 -0.07 0.00 -0.92 0.00 0.00 175.35 174.78 1a12 s ALA 315 N -0.26 3.00 0.06 5.17 0.00 -1.26 -1.80 121.76 126.67 1a12 s ALA 315 Ca -0.00 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1a12 s ALA 315 Cb -0.13 -1.07 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 1a12 s ALA 315 CO 0.03 0.62 -0.11 0.71 0.00 0.00 0.00 175.76 177.01 1a12 s TYR 316 N -1.05 0.97 0.12 0.00 1.51 0.17 -0.48 117.35 118.59 1a12 s TYR 316 Ca 0.18 -0.51 0.04 0.00 -1.01 0.00 0.00 57.07 55.77 1a12 s TYR 316 Cb -0.11 -0.55 -0.04 0.00 -0.11 0.00 0.00 41.96 41.15 1a12 s TYR 316 CO 0.09 -0.01 -0.10 -1.54 -1.11 0.00 0.00 175.55 172.88 1a12 s SER 317 N -1.80 1.59 0.15 2.29 1.04 -0.10 -0.29 113.70 116.58 1a12 s SER 317 Ca -0.04 -0.92 -0.20 0.00 0.48 0.00 0.00 55.95 55.27 1a12 s SER 317 Cb -0.09 0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.09 1a12 s SER 317 CO 0.01 -0.31 0.53 -1.48 0.98 0.00 0.00 173.24 172.98 1a12 s LEU 318 N -2.82 -0.21 0.00 2.42 2.34 -0.66 -0.71 118.68 119.04 1a12 s LEU 318 Ca 0.11 -0.15 0.00 0.00 0.06 0.00 0.00 54.13 54.15 1a12 s LEU 318 Cb 0.00 2.33 0.00 0.00 -0.56 0.00 0.00 46.19 47.96 1a12 s LEU 318 CO -0.00 -0.95 0.00 0.61 -1.06 0.00 0.00 176.35 174.95 1a12 n GLY 319 N -0.33 -0.50 3.77 -3.48 0.00 0.12 -1.59 105.19 103.17 1a12 n GLY 319 Ca -0.16 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 1a12 n GLY 319 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a12 s ARG 320 N 0.00 4.18 0.05 1.61 3.52 -0.35 -1.97 118.95 125.99 1a12 s ARG 320 Ca 0.00 2.47 0.22 0.00 -0.13 0.00 0.00 55.73 58.29 1a12 s ARG 320 Cb 0.00 -3.02 -0.22 0.00 -1.56 0.00 0.00 34.95 30.15 1a12 s ARG 320 CO 0.00 -0.47 0.67 0.00 -0.81 0.00 0.00 175.30 174.69 1a12 n ALA 321 N 1.15 2.71 -1.57 6.12 0.00 -1.26 -4.40 120.51 123.25 1a12 n ALA 321 Ca 0.03 -0.42 -0.45 0.00 0.00 0.00 0.00 53.44 52.59 1a12 n ALA 321 Cb 0.39 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 1a12 n ALA 321 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a12 n GLU 322 N -2.40 1.23 -1.08 0.00 -0.58 -1.26 -1.98 120.64 114.57 1a12 n GLU 322 Ca -0.03 0.43 -0.03 0.00 -0.42 0.00 0.00 57.16 57.12 1a12 n GLU 322 Cb 0.57 -1.79 -0.01 0.00 -0.57 0.00 0.00 31.44 29.63 1a12 n GLU 322 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1a12 n TYR 323 N 0.35 0.00 -0.70 -0.32 4.01 -1.26 -3.65 117.16 115.60 1a12 n TYR 323 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 1a12 n TYR 323 Cb 0.31 -1.44 0.00 0.00 -0.31 0.00 0.00 39.34 37.89 1a12 n TYR 323 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a12 n GLY 324 N -0.79 0.64 0.27 2.72 0.00 -0.84 -2.99 105.19 104.19 1a12 n GLY 324 Ca -0.03 -0.15 0.18 0.00 0.00 0.00 0.00 46.02 46.03 1a12 n GLY 324 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a12 h ARG 325 N 1.54 0.00 0.00 1.61 0.11 -1.67 -1.39 114.38 114.58 1a12 h ARG 325 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1a12 h ARG 325 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1a12 h ARG 325 CO 0.00 0.00 -0.29 -0.07 0.10 0.00 0.00 179.97 179.71 1a12 h LEU 326 N 0.00 0.00 1.98 0.08 3.38 -1.81 -3.41 115.31 115.53 1a12 h LEU 326 Ca 0.00 -0.05 -0.30 0.00 0.09 0.00 0.00 57.88 57.62 1a12 h LEU 326 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1a12 h LEU 326 CO 0.00 0.02 -0.39 0.61 0.09 0.00 0.00 178.44 178.77 1a12 n GLY 327 N 1.23 -0.25 0.85 0.83 0.00 -0.53 -4.68 105.19 102.64 1a12 n GLY 327 Ca 0.04 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.90 1a12 n GLY 327 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a12 n LEU 328 N -2.26 3.18 0.00 0.99 4.77 -1.07 -4.32 117.00 118.28 1a12 n LEU 328 Ca -0.17 -1.91 0.00 0.00 -0.03 0.00 0.00 56.01 53.90 1a12 n LEU 328 Cb 0.63 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1a12 n LEU 328 CO 0.22 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 1a12 n GLY 329 N 0.88 1.10 3.69 -0.72 0.00 -0.16 -4.81 105.19 105.17 1a12 n GLY 329 Ca 0.15 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 1a12 n GLY 329 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a12 n GLU 330 N 1.67 1.74 -1.05 1.61 -0.58 -1.26 -2.27 120.64 120.50 1a12 n GLU 330 Ca 0.00 0.63 -0.02 0.00 -0.42 0.00 0.00 57.16 57.35 1a12 n GLU 330 Cb 0.00 -2.37 -0.01 0.00 -0.57 0.00 0.00 31.44 28.49 1a12 n GLU 330 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a12 n GLY 331 N 0.88 0.38 3.63 0.62 0.00 -1.26 -4.96 105.19 104.48 1a12 n GLY 331 Ca 0.08 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1a12 n GLY 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a12 n ALA 332 N 1.03 0.40 -2.47 4.61 0.00 -0.96 -5.01 120.51 118.11 1a12 n ALA 332 Ca -0.02 0.09 -0.25 0.00 0.00 0.00 0.00 53.44 53.27 1a12 n ALA 332 Cb 0.31 -2.14 -0.10 0.00 0.00 0.00 0.00 19.45 17.52 1a12 n ALA 332 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1a12 s GLU 333 N -2.54 1.68 0.07 0.00 2.02 -1.26 -4.84 118.70 113.82 1a12 s GLU 333 Ca 0.71 -1.70 -0.36 0.00 0.02 0.00 0.00 54.97 53.64 1a12 s GLU 333 Cb -0.46 -1.80 -0.19 0.00 0.10 0.00 0.00 34.13 31.78 1a12 s GLU 333 CO 0.51 0.35 0.92 -1.91 0.02 0.00 0.00 175.26 175.14 1a12 n GLU 334 N -0.45 0.08 -4.30 1.61 2.13 -1.26 -4.72 120.64 113.72 1a12 n GLU 334 Ca -0.07 0.03 -0.29 0.00 0.66 0.00 0.00 57.16 57.49 1a12 n GLU 334 Cb 0.59 -1.38 -0.11 0.00 0.27 0.00 0.00 31.44 30.81 1a12 n GLU 334 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1a12 s LYS 335 N -0.31 1.80 0.00 5.31 -0.14 -0.83 -4.96 119.74 120.61 1a12 s LYS 335 Ca 0.82 -1.17 0.00 0.00 -1.36 0.00 0.00 55.97 54.26 1a12 s LYS 335 Cb -1.14 -2.12 0.00 0.00 -1.68 0.00 0.00 37.83 32.88 1a12 s LYS 335 CO 0.56 0.48 0.80 -1.13 -0.76 0.00 0.00 175.35 175.30 1a12 n SER 336 N 0.78 1.37 -3.99 2.83 3.41 -1.26 0.15 113.62 116.91 1a12 n SER 336 Ca -0.15 -1.64 -0.11 0.00 -0.26 0.00 0.00 58.87 56.71 1a12 n SER 336 Cb 0.53 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.36 1a12 n SER 336 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1a12 s ILE 337 N -0.64 0.26 -0.05 -1.33 -4.36 -1.26 -3.84 121.20 109.98 1a12 s ILE 337 Ca 0.00 -0.77 -0.34 0.00 -0.26 0.00 0.00 60.65 59.28 1a12 s ILE 337 Cb 0.00 -0.35 -0.12 0.00 1.25 0.00 0.00 42.46 43.24 1a12 s ILE 337 CO 0.00 -0.33 1.82 -0.81 0.24 0.00 0.00 174.94 175.85 1a12 n PRO 338 N 1.89 2.13 -4.07 0.37 -0.04 -1.26 -4.64 135.00 129.38 1a12 n PRO 338 Ca -0.21 0.78 -0.33 0.00 -0.04 0.00 0.00 63.50 63.70 1a12 n PRO 338 Cb 0.56 -2.60 -0.15 0.00 -0.04 0.00 0.00 33.50 31.26 1a12 n PRO 338 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1a12 s THR 339 N 3.43 2.29 0.09 0.52 2.01 0.11 -4.86 115.64 119.24 1a12 s THR 339 Ca 0.90 -1.07 -0.36 0.00 0.31 0.00 0.00 61.69 61.47 1a12 s THR 339 Cb -0.71 -2.09 -0.16 0.00 0.01 0.00 0.00 72.50 69.56 1a12 s THR 339 CO 0.50 0.36 1.38 -0.11 -0.69 0.00 0.00 174.62 176.06 1a12 n LEU 340 N 4.60 1.89 -4.39 4.42 7.94 -1.26 -0.93 117.00 129.27 1a12 n LEU 340 Ca -0.19 1.11 -0.45 0.00 -1.11 0.00 0.00 56.01 55.37 1a12 n LEU 340 Cb 0.48 -1.23 -0.03 0.00 0.53 0.00 0.00 43.42 43.17 1a12 n LEU 340 CO 0.25 -0.92 0.64 -0.63 -1.11 0.00 0.00 177.39 175.63 1a12 s ILE 341 N 0.59 5.06 0.26 1.96 1.01 0.37 -4.87 121.20 125.58 1a12 s ILE 341 Ca 0.84 -1.74 0.11 0.00 0.00 0.00 0.00 60.65 59.86 1a12 s ILE 341 Cb -0.91 -4.60 -0.03 0.00 0.01 0.00 0.00 42.46 36.94 1a12 s ILE 341 CO 0.45 -1.24 1.61 0.77 0.00 0.00 0.00 174.94 176.53 1a12 h SER 342 N 8.56 0.00 -0.02 3.58 4.64 -1.88 -3.35 113.55 125.08 1a12 h SER 342 Ca 0.02 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.01 1a12 h SER 342 Cb 1.05 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.09 1a12 h SER 342 CO 0.98 0.62 0.89 0.54 -0.87 0.00 0.00 176.83 178.99 1a12 n ARG 343 N -3.78 2.52 -3.91 4.77 1.74 -1.26 -4.82 116.66 111.92 1a12 n ARG 343 Ca -0.01 -1.38 -0.10 0.00 -0.77 0.00 0.00 57.85 55.59 1a12 n ARG 343 Cb 0.62 -2.24 -0.11 0.00 -1.02 0.00 0.00 32.46 29.71 1a12 n ARG 343 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a12 s LEU 344 N 0.02 1.90 1.18 0.55 1.43 -1.26 -4.63 118.68 117.86 1a12 s LEU 344 Ca 0.68 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 53.37 1a12 s LEU 344 Cb 0.28 0.32 0.28 0.00 0.03 0.00 0.00 46.19 47.09 1a12 s LEU 344 CO -0.02 -0.25 1.05 -2.84 0.23 0.00 0.00 176.35 174.51 1a12 s PRO 345 N -1.06 -1.01 0.20 1.29 0.02 -1.26 -4.88 135.00 128.29 1a12 s PRO 345 Ca -0.12 0.39 -0.33 0.00 0.02 0.00 0.00 61.00 60.97 1a12 s PRO 345 Cb -0.07 -1.58 -0.14 0.00 0.02 0.00 0.00 34.50 32.73 1a12 s PRO 345 CO 0.00 -3.67 1.44 0.00 -0.33 0.00 0.00 177.00 174.45 1a12 n ALA 346 N -4.81 0.91 -2.83 -1.55 0.00 -1.26 -4.90 120.51 106.06 1a12 n ALA 346 Ca 0.07 0.44 -0.36 0.00 0.00 0.00 0.00 53.44 53.59 1a12 n ALA 346 Cb 0.57 -2.27 -0.07 0.00 0.00 0.00 0.00 19.45 17.69 1a12 n ALA 346 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1a12 s VAL 347 N 0.31 5.17 -0.09 0.00 1.01 -0.22 -1.15 120.40 125.44 1a12 s VAL 347 Ca 0.73 0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.84 1a12 s VAL 347 Cb -0.70 -3.27 -0.15 0.00 0.00 0.00 0.00 36.38 32.27 1a12 s VAL 347 CO 0.45 0.56 0.08 -1.54 0.00 0.00 0.00 175.10 174.66 1a12 n SER 348 N 1.84 2.29 -3.55 3.32 3.41 0.65 -4.22 113.62 117.36 1a12 n SER 348 Ca -0.18 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.31 1a12 n SER 348 Cb 0.54 0.92 -0.04 0.00 -0.26 0.00 0.00 64.21 65.38 1a12 n SER 348 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1a12 s SER 349 N -4.16 -0.40 0.15 4.04 1.04 -1.06 -5.01 113.70 108.31 1a12 s SER 349 Ca -0.05 -0.07 0.05 0.00 0.48 0.00 0.00 55.95 56.36 1a12 s SER 349 Cb 0.04 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1a12 s SER 349 CO 0.46 -0.85 -0.11 0.68 0.98 0.00 0.00 173.24 174.41 1a12 s VAL 350 N -3.36 1.24 0.15 5.02 -7.23 -1.26 -1.03 120.40 113.92 1a12 s VAL 350 Ca -0.00 -2.08 -0.18 0.00 -1.81 0.00 0.00 61.98 57.91 1a12 s VAL 350 Cb 0.00 -1.88 0.04 0.00 0.56 0.00 0.00 36.38 35.11 1a12 s VAL 350 CO -0.09 -0.73 0.47 0.00 -0.31 0.00 0.00 175.10 174.45 1a12 s ALA 351 N -3.29 -1.06 0.06 1.32 0.00 -0.87 -4.85 121.76 113.08 1a12 s ALA 351 Ca 0.17 0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.19 1a12 s ALA 351 Cb 0.02 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 1a12 s ALA 351 CO 0.01 -0.71 -0.15 0.00 0.00 0.00 0.00 175.76 174.91 1a12 n GLY 353 N 1.48 2.57 0.14 0.00 0.00 -0.50 -4.14 105.19 104.74 1a12 n GLY 353 Ca -0.20 -2.10 -0.06 0.00 0.00 0.00 0.00 46.02 43.65 1a12 n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a12 h ALA 354 N 0.10 0.22 0.00 4.61 0.00 -1.53 -3.19 119.26 119.46 1a12 h ALA 354 Ca 0.00 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1a12 h ALA 354 Cb 0.00 0.23 -0.14 0.00 0.00 0.00 0.00 17.79 17.87 1a12 h ALA 354 CO 0.00 -0.46 -0.63 0.43 0.00 0.00 0.00 179.25 178.60 1a12 n SER 355 N -5.25 1.01 -4.10 0.00 7.64 -1.26 -1.81 113.62 109.84 1a12 n SER 355 Ca 0.00 -2.49 -0.11 0.00 1.01 0.00 0.00 58.87 57.28 1a12 n SER 355 Cb 0.18 -0.33 -0.11 0.00 -1.01 0.00 0.00 64.21 62.94 1a12 n SER 355 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1a12 s VAL 356 N -0.98 0.54 0.09 0.44 -7.23 -1.20 -1.91 120.40 110.14 1a12 s VAL 356 Ca 0.24 -1.50 0.05 0.00 -1.81 0.00 0.00 61.98 58.96 1a12 s VAL 356 Cb 0.25 -1.12 -0.03 0.00 0.56 0.00 0.00 36.38 36.03 1a12 s VAL 356 CO -0.07 -0.66 -0.14 -0.83 -0.31 0.00 0.00 175.10 173.10 1a12 s GLY 357 N -2.32 0.91 0.04 2.32 0.00 0.03 -1.42 107.32 106.89 1a12 s GLY 357 Ca 0.00 -1.09 -0.00 0.00 0.00 0.00 0.00 44.72 43.63 1a12 s GLY 357 CO -0.03 -1.13 -0.03 -0.19 0.00 0.00 0.00 173.10 171.72 1a12 s TYR 358 N -1.60 0.48 -0.07 1.90 1.51 0.02 -1.32 117.35 118.26 1a12 s TYR 358 Ca 0.01 -0.89 -0.03 0.00 -1.01 0.00 0.00 57.07 55.15 1a12 s TYR 358 Cb -0.08 -0.34 0.04 0.00 -0.11 0.00 0.00 41.96 41.47 1a12 s TYR 358 CO 0.02 -0.30 0.16 0.00 -1.11 0.00 0.00 175.55 174.32 1a12 s ALA 359 N -3.14 -0.25 -0.04 3.71 0.00 -0.75 -2.05 121.76 119.24 1a12 s ALA 359 Ca 0.00 0.67 -0.17 0.00 0.00 0.00 0.00 51.96 52.46 1a12 s ALA 359 Cb 0.02 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 1a12 s ALA 359 CO -0.07 -0.29 0.47 0.08 0.00 0.00 0.00 175.76 175.94 1a12 s VAL 360 N 1.55 5.05 0.42 0.00 1.01 -0.20 -0.88 120.40 127.35 1a12 s VAL 360 Ca -0.05 0.95 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1a12 s VAL 360 Cb -0.12 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 1a12 s VAL 360 CO -0.06 0.46 0.64 0.42 0.00 0.00 0.00 175.10 176.56 1a12 s THR 361 N -0.31 4.30 0.46 3.92 -4.23 0.43 -0.26 115.64 119.95 1a12 s THR 361 Ca 0.26 -0.48 0.29 0.00 -1.18 0.00 0.00 61.69 60.58 1a12 s THR 361 Cb -0.16 -3.58 0.32 0.00 1.34 0.00 0.00 72.50 70.41 1a12 s THR 361 CO 0.13 -0.40 2.13 0.11 -0.54 0.00 0.00 174.62 176.05 1a12 h LYS 362 N 0.49 0.00 -0.31 3.99 1.57 -1.40 -1.17 116.57 119.74 1a12 h LYS 362 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1a12 h LYS 362 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1a12 h LYS 362 CO 0.58 0.08 0.00 -0.40 -0.57 0.00 0.00 179.45 179.14 1a12 n ASP 363 N -3.63 2.09 0.00 0.86 5.68 -1.26 -4.92 116.55 115.36 1a12 n ASP 363 Ca -0.02 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 1a12 n ASP 363 Cb 0.19 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1a12 n ASP 363 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a12 n GLY 364 N 1.17 0.76 3.94 6.12 0.00 -0.44 -4.92 105.19 111.82 1a12 n GLY 364 Ca 0.15 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 1a12 n GLY 364 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a12 s ARG 365 N -0.76 2.82 -0.03 1.61 0.52 -1.26 -0.57 118.95 121.27 1a12 s ARG 365 Ca 0.00 -1.26 0.00 0.00 -0.52 0.00 0.00 55.73 53.95 1a12 s ARG 365 Cb 0.00 -2.63 0.03 0.00 0.52 0.00 0.00 34.95 32.87 1a12 s ARG 365 CO 0.00 -0.09 -0.01 0.54 0.02 0.00 0.00 175.30 175.77 1a12 s VAL 366 N -2.32 0.23 0.12 3.52 0.11 -1.26 -0.43 120.40 120.37 1a12 s VAL 366 Ca 0.48 0.06 0.07 0.00 -2.93 0.00 0.00 61.98 59.66 1a12 s VAL 366 Cb -0.07 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 1a12 s VAL 366 CO 0.30 0.16 -0.05 -0.36 -3.33 0.00 0.00 175.10 171.82 1a12 s PHE 367 N 1.07 2.82 0.08 1.54 0.40 -0.06 -0.62 117.98 123.21 1a12 s PHE 367 Ca -0.09 -0.13 0.03 0.00 -0.60 0.00 0.00 56.93 56.14 1a12 s PHE 367 Cb -0.14 -1.43 -0.03 0.00 0.51 0.00 0.00 43.02 41.93 1a12 s PHE 367 CO -0.02 0.47 -0.09 0.00 0.70 0.00 0.00 175.22 176.28 1a12 s ALA 368 N -1.40 0.93 0.18 5.36 0.00 -0.06 -1.81 121.76 124.95 1a12 s ALA 368 Ca 0.24 -1.09 -0.23 0.00 0.00 0.00 0.00 51.96 50.88 1a12 s ALA 368 Cb -0.11 0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.13 1a12 s ALA 368 CO 0.16 -0.07 0.61 1.67 0.00 0.00 0.00 175.76 178.14 1a12 s TRP 369 N -2.35 -0.48 0.00 0.00 -2.14 -0.43 -0.40 118.94 113.14 1a12 s TRP 369 Ca 0.02 0.23 0.00 0.00 2.66 0.00 0.00 56.10 59.01 1a12 s TRP 369 Cb -0.03 0.58 0.00 0.00 -3.10 0.00 0.00 33.47 30.91 1a12 s TRP 369 CO -0.01 -0.91 0.00 0.41 -2.66 0.00 0.00 176.95 173.79 1a12 n GLY 370 N -0.39 -0.04 3.72 3.67 0.00 0.63 -0.79 105.19 111.99 1a12 n GLY 370 Ca -0.15 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.32 1a12 n GLY 370 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1a12 s MET 371 N 0.00 4.20 0.04 1.61 1.75 -0.80 -0.65 119.30 125.45 1a12 s MET 371 Ca 0.00 2.40 0.22 0.00 -1.25 0.00 0.00 55.69 57.06 1a12 s MET 371 Cb 0.00 -3.13 -0.12 0.00 2.84 0.00 0.00 34.83 34.42 1a12 s MET 371 CO 0.00 -0.62 0.83 0.41 -0.65 0.00 0.00 175.02 175.00 1a12 n GLY 372 N 3.63 -1.16 0.39 2.11 0.00 -1.26 -4.64 105.19 104.26 1a12 n GLY 372 Ca 0.13 -0.44 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 1a12 n GLY 372 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1a12 h THR 373 N 0.00 0.00 0.00 2.61 2.02 -1.85 -1.04 112.91 114.66 1a12 h THR 373 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1a12 h THR 373 Cb 0.84 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1a12 h THR 373 CO 0.00 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.48 1a12 n ASN 374 N -5.46 0.00 -0.13 4.18 3.02 -1.26 -4.90 115.26 110.71 1a12 n ASN 374 Ca 0.10 -0.02 -0.02 0.00 -0.03 0.00 0.00 54.58 54.61 1a12 n ASN 374 Cb 0.39 -0.30 -0.01 0.00 -0.61 0.00 0.00 39.78 39.25 1a12 n ASN 374 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1a12 n TYR 375 N -1.30 0.00 0.28 3.10 4.01 -0.39 -3.45 117.16 119.41 1a12 n TYR 375 Ca 0.11 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 58.01 1a12 n TYR 375 Cb 0.20 -0.65 0.83 0.00 -0.31 0.00 0.00 39.34 39.41 1a12 n TYR 375 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1a12 h GLN 376 N 0.38 0.00 0.00 -0.72 4.20 -1.84 -3.18 115.11 113.96 1a12 h GLN 376 Ca -0.04 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 1a12 h GLN 376 Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1a12 h GLN 376 CO 0.05 0.07 -0.30 -0.07 -0.67 0.00 0.00 178.83 177.90 1a12 h LEU 377 N 0.00 0.00 0.09 1.46 3.38 -1.86 -3.46 115.31 114.91 1a12 h LEU 377 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1a12 h LEU 377 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1a12 h LEU 377 CO 0.01 0.30 -0.03 0.61 0.09 0.00 0.00 178.44 179.42 1a12 n GLY 378 N 0.20 0.53 0.09 0.83 0.00 -1.20 -4.72 105.19 100.91 1a12 n GLY 378 Ca -0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 45.05 1a12 n GLY 378 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1a12 h THR 379 N 0.00 1.45 0.00 2.61 1.35 -1.86 -3.38 112.91 113.09 1a12 h THR 379 Ca -0.04 -3.04 0.00 0.00 -0.55 0.00 0.00 66.41 62.78 1a12 h THR 379 Cb 0.13 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1a12 h THR 379 CO 0.06 0.82 0.00 0.61 -0.25 0.00 0.00 175.52 176.76 1a12 n GLY 380 N 1.30 0.26 3.58 5.82 0.00 -1.25 -5.05 105.19 109.85 1a12 n GLY 380 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1a12 n GLY 380 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a12 s GLN 381 N -0.87 1.88 -0.12 1.61 -1.52 -1.26 -5.03 119.66 114.36 1a12 s GLN 381 Ca 0.00 -2.04 0.15 0.00 -1.95 0.00 0.00 55.36 51.52 1a12 s GLN 381 Cb 0.00 -1.57 0.47 0.00 -0.22 0.00 0.00 33.01 31.70 1a12 s GLN 381 CO 0.00 -0.01 1.39 -0.40 -0.25 0.00 0.00 175.29 176.01 1a12 n ASP 382 N -0.89 3.67 -4.81 5.90 5.75 -1.26 -4.68 116.55 120.24 1a12 n ASP 382 Ca -0.05 -2.67 -0.35 0.00 -0.01 0.00 0.00 54.79 51.71 1a12 n ASP 382 Cb 0.66 -0.45 -0.07 0.00 -1.03 0.00 0.00 41.12 40.23 1a12 n ASP 382 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1a12 s GLU 383 N -2.21 4.36 0.74 0.11 0.41 -1.26 -3.09 118.70 117.76 1a12 s GLU 383 Ca 0.37 1.13 -0.14 0.00 -0.41 0.00 0.00 54.97 55.92 1a12 s GLU 383 Cb 0.27 -2.57 0.05 0.00 -1.78 0.00 0.00 34.13 30.10 1a12 s GLU 383 CO 0.12 0.18 1.18 -0.51 -0.49 0.00 0.00 175.26 175.74 1a12 s ASP 384 N -1.87 4.23 -0.21 -0.19 1.01 -1.26 -4.03 116.67 114.35 1a12 s ASP 384 Ca 0.53 2.24 0.01 0.00 0.71 0.00 0.00 52.55 56.05 1a12 s ASP 384 Cb -0.14 -2.58 0.04 0.00 1.01 0.00 0.00 42.92 41.25 1a12 s ASP 384 CO 0.19 -2.23 -0.11 0.00 0.21 0.00 0.00 175.17 173.23 1a12 s ALA 385 N -2.17 2.10 -0.82 5.23 0.00 0.17 -4.88 121.76 121.39 1a12 s ALA 385 Ca 0.71 -1.28 0.25 0.00 0.00 0.00 0.00 51.96 51.65 1a12 s ALA 385 Cb -0.26 -1.31 0.58 0.00 0.00 0.00 0.00 23.12 22.13 1a12 s ALA 385 CO 0.47 -0.83 1.49 0.91 0.00 0.00 0.00 175.76 177.80 1a12 n TRP 386 N 4.65 0.33 -4.36 0.00 7.02 -1.26 -0.27 117.44 123.55 1a12 n TRP 386 Ca -0.15 0.10 -0.21 0.00 -1.02 0.00 0.00 57.50 56.21 1a12 n TRP 386 Cb 0.46 -0.53 -0.11 0.00 -2.42 0.00 0.00 31.31 28.71 1a12 n TRP 386 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1a12 s SER 387 N -3.67 2.80 0.21 -0.99 0.01 -1.26 -0.99 113.70 109.81 1a12 s SER 387 Ca 0.09 -0.93 -0.31 0.00 1.31 0.00 0.00 55.95 56.11 1a12 s SER 387 Cb 0.15 -0.17 -0.11 0.00 0.21 0.00 0.00 66.02 66.10 1a12 s SER 387 CO 0.67 -0.06 1.63 -2.84 0.41 0.00 0.00 173.24 173.06 1a12 s PRO 388 N -3.12 4.16 -0.08 12.44 0.02 -1.26 -4.70 135.00 142.46 1a12 s PRO 388 Ca 0.20 2.50 0.05 0.00 0.02 0.00 0.00 61.00 63.76 1a12 s PRO 388 Cb -0.04 -3.09 -0.01 0.00 0.02 0.00 0.00 34.50 31.37 1a12 s PRO 388 CO 0.08 -0.66 -0.23 0.08 -0.33 0.00 0.00 177.00 175.94 1a12 s VAL 389 N 0.90 2.22 0.10 3.83 1.01 0.47 -4.89 120.40 124.03 1a12 s VAL 389 Ca 0.70 -0.99 -0.31 0.00 0.00 0.00 0.00 61.98 61.39 1a12 s VAL 389 Cb -0.47 -1.84 -0.07 0.00 0.00 0.00 0.00 36.38 34.00 1a12 s VAL 389 CO 0.35 0.56 1.36 -0.70 0.00 0.00 0.00 175.10 176.67 1a12 s GLU 390 N 0.05 4.34 -0.09 2.72 2.12 -1.26 -0.89 118.70 125.69 1a12 s GLU 390 Ca -0.09 2.02 -0.30 0.00 0.36 0.00 0.00 54.97 56.95 1a12 s GLU 390 Cb -0.15 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 1a12 s GLU 390 CO 0.06 -0.41 1.03 -1.64 -0.54 0.00 0.00 175.26 173.75 1a12 s MET 391 N 1.17 4.43 0.40 4.30 -1.94 0.21 -4.92 119.30 122.94 1a12 s MET 391 Ca 0.63 1.43 0.01 0.00 -1.71 0.00 0.00 55.69 56.05 1a12 s MET 391 Cb -0.35 -3.54 -0.00 0.00 2.01 0.00 0.00 34.83 32.95 1a12 s MET 391 CO 0.30 -0.31 0.05 -1.33 -0.01 0.00 0.00 175.02 173.72 1a12 n MET 392 N 4.93 0.84 0.00 2.03 0.00 -1.26 -4.71 117.12 118.95 1a12 n MET 392 Ca 0.09 -3.05 0.00 0.00 0.00 0.00 0.00 57.70 54.74 1a12 n MET 392 Cb 0.49 1.12 0.00 0.00 0.00 0.00 0.00 33.22 34.82 1a12 n MET 392 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1a12 n GLY 393 N -0.19 4.22 0.33 3.03 0.00 -1.26 -4.73 105.19 106.60 1a12 n GLY 393 Ca -0.13 -1.44 0.06 0.00 0.00 0.00 0.00 46.02 44.51 1a12 n GLY 393 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a12 h LYS 394 N 0.00 0.54 0.00 1.61 1.57 -1.96 -1.70 116.57 116.63 1a12 h LYS 394 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1a12 h LYS 394 Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1a12 h LYS 394 CO 0.00 0.36 0.00 1.96 -0.57 0.00 0.00 179.45 181.20 1a12 h GLN 395 N 0.56 0.00 0.00 3.15 1.08 -1.93 -3.09 115.11 114.88 1a12 h GLN 395 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1a12 h GLN 395 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1a12 h GLN 395 CO -0.05 0.00 -1.52 1.28 -0.95 0.00 0.00 178.83 177.59 1a12 n LEU 396 N -2.68 0.40 -4.76 1.46 4.77 -0.68 -4.84 117.00 110.67 1a12 n LEU 396 Ca 0.03 0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.72 1a12 n LEU 396 Cb 0.40 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1a12 n LEU 396 CO 0.29 -0.07 1.18 -0.62 -1.33 0.00 0.00 177.39 176.84 1a12 n GLU 397 N -2.40 2.66 -2.43 3.23 1.02 -0.95 -2.19 120.64 119.58 1a12 n GLU 397 Ca -0.02 0.94 -0.21 0.00 -0.02 0.00 0.00 57.16 57.85 1a12 n GLU 397 Cb 0.55 -2.69 -0.01 0.00 -0.02 0.00 0.00 31.44 29.27 1a12 n GLU 397 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1a12 n ASN 398 N 1.36 -5.94 -4.02 1.62 3.02 -1.26 -4.99 115.26 105.04 1a12 n ASN 398 Ca 0.05 -0.03 -0.08 0.00 -0.03 0.00 0.00 54.58 54.49 1a12 n ASN 398 Cb 0.37 -4.94 -0.10 0.00 -0.61 0.00 0.00 39.78 34.50 1a12 n ASN 398 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1a12 s ARG 399 N -5.08 0.51 -0.08 3.52 0.52 -0.93 -1.64 118.95 115.78 1a12 s ARG 399 Ca 0.01 -0.94 0.02 0.00 -0.52 0.00 0.00 55.73 54.30 1a12 s ARG 399 Cb -0.01 0.18 -0.02 0.00 0.52 0.00 0.00 34.95 35.62 1a12 s ARG 399 CO 0.02 -0.10 -0.13 0.14 0.02 0.00 0.00 175.30 175.25 1a12 s VAL 400 N -2.91 3.17 -0.15 3.52 -7.23 0.80 -4.76 120.40 112.84 1a12 s VAL 400 Ca -0.02 -0.66 -0.29 0.00 -1.81 0.00 0.00 61.98 59.19 1a12 s VAL 400 Cb 0.01 -2.28 -0.00 0.00 0.56 0.00 0.00 36.38 34.66 1a12 s VAL 400 CO -0.06 0.57 1.04 -0.69 -0.31 0.00 0.00 175.10 175.65 1a12 s VAL 401 N -0.42 4.69 -0.10 1.32 1.01 0.26 -0.64 120.40 126.53 1a12 s VAL 401 Ca 0.05 1.99 -0.03 0.00 0.00 0.00 0.00 61.98 64.00 1a12 s VAL 401 Cb -0.12 -4.28 -0.26 0.00 0.00 0.00 0.00 36.38 31.72 1a12 s VAL 401 CO 0.02 -0.08 0.44 0.18 0.00 0.00 0.00 175.10 175.67 1a12 n LEU 402 N 5.61 2.24 -3.58 3.92 4.77 0.17 -4.62 117.00 125.52 1a12 n LEU 402 Ca 0.10 0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 56.24 1a12 n LEU 402 Cb 0.47 -0.84 -0.02 0.00 -2.33 0.00 0.00 43.42 40.70 1a12 n LEU 402 CO 0.52 0.75 0.39 -0.94 -1.33 0.00 0.00 177.39 176.79 1a12 s SER 403 N -6.84 -0.44 -0.01 -1.43 1.04 -0.83 -4.97 113.70 100.21 1a12 s SER 403 Ca -0.18 -0.23 -0.03 0.00 0.48 0.00 0.00 55.95 55.99 1a12 s SER 403 Cb 0.07 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1a12 s SER 403 CO 0.78 -1.07 0.06 0.54 0.98 0.00 0.00 173.24 174.53 1a12 s VAL 404 N -3.81 0.03 -0.02 5.02 0.11 -1.26 -1.18 120.40 119.29 1a12 s VAL 404 Ca 0.05 -0.26 -0.10 0.00 -2.93 0.00 0.00 61.98 58.74 1a12 s VAL 404 Cb -0.02 -0.18 0.01 0.00 -1.53 0.00 0.00 36.38 34.66 1a12 s VAL 404 CO -0.07 -0.14 0.21 -0.55 -3.33 0.00 0.00 175.10 171.22 1a12 s SER 405 N -0.43 -0.10 -0.01 3.54 0.15 -0.28 -4.72 113.70 111.84 1a12 s SER 405 Ca -0.05 0.03 -0.04 0.00 0.70 0.00 0.00 55.95 56.59 1a12 s SER 405 Cb -0.03 0.30 -0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1a12 s SER 405 CO 0.00 -0.33 0.08 -0.55 1.20 0.00 0.00 173.24 173.64 1a12 s SER 406 N -1.04 0.03 0.00 5.45 0.15 -1.26 -0.25 113.70 116.77 1a12 s SER 406 Ca -0.11 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1a12 s SER 406 Cb -0.06 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1a12 s SER 406 CO 0.02 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1a12 n GLY 407 N 2.12 4.66 0.20 9.45 0.00 -0.60 -4.10 105.19 116.91 1a12 n GLY 407 Ca -0.19 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 1a12 n GLY 407 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1a12 h GLY 408 N 0.00 -0.43 0.00 -0.02 0.00 -1.44 -1.65 103.07 99.54 1a12 h GLY 408 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1a12 h GLY 408 CO 0.00 -0.16 0.00 -1.06 0.00 0.00 0.00 176.54 175.32 1a12 n GLN 409 N -5.15 0.66 -4.19 4.80 6.02 -1.26 -4.53 117.38 113.72 1a12 n GLN 409 Ca -0.10 -0.68 -0.12 0.00 -0.01 0.00 0.00 57.00 56.10 1a12 n GLN 409 Cb 0.25 -0.74 -0.10 0.00 1.02 0.00 0.00 30.24 30.67 1a12 n GLN 409 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1a12 s HIS 410 N -0.29 1.05 0.01 1.08 -3.43 -1.26 -0.77 115.29 111.69 1a12 s HIS 410 Ca 0.00 -1.22 0.01 0.00 -0.80 0.00 0.00 55.06 53.05 1a12 s HIS 410 Cb 0.00 -0.58 -0.01 0.00 -1.43 0.00 0.00 32.58 30.56 1a12 s HIS 410 CO 0.00 -0.46 -0.04 0.99 -2.00 0.00 0.00 174.74 173.23 1a12 s THR 411 N -3.96 0.27 -0.09 -5.38 2.01 -0.38 -1.56 115.64 106.55 1a12 s THR 411 Ca 0.28 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.78 1a12 s THR 411 Cb 0.07 -0.31 0.01 0.00 0.01 0.00 0.00 72.50 72.29 1a12 s THR 411 CO 0.05 -0.17 -0.15 -0.69 -0.69 0.00 0.00 174.62 172.98 1a12 s VAL 412 N -0.68 1.39 0.02 3.82 1.01 0.65 -2.10 120.40 124.50 1a12 s VAL 412 Ca -0.05 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.37 1a12 s VAL 412 Cb -0.05 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1a12 s VAL 412 CO -0.00 0.41 -0.11 -0.76 0.00 0.00 0.00 175.10 174.65 1a12 s LEU 413 N 0.75 2.97 -0.21 3.92 1.43 0.69 -1.13 118.68 127.10 1a12 s LEU 413 Ca -0.12 -0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 1a12 s LEU 413 Cb -0.16 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 1a12 s LEU 413 CO 0.03 0.27 -0.06 -0.22 0.23 0.00 0.00 176.35 176.60 1a12 s LEU 414 N -1.44 2.88 0.30 1.79 2.96 -0.32 -0.96 118.68 123.88 1a12 s LEU 414 Ca 0.16 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1a12 s LEU 414 Cb -0.11 -1.72 -0.06 0.00 0.50 0.00 0.00 46.19 44.80 1a12 s LEU 414 CO 0.07 0.01 0.04 0.68 -1.32 0.00 0.00 176.35 175.83 1a12 s VAL 415 N 1.29 1.14 0.02 1.68 -7.23 0.05 0.46 120.40 117.80 1a12 s VAL 415 Ca 0.03 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.13 1a12 s VAL 415 Cb -0.14 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 1a12 s VAL 415 CO -0.02 -0.08 0.11 -0.75 -0.31 0.00 0.00 175.10 174.05 1a12 s LYS 416 N -3.89 0.52 0.16 4.82 2.20 0.19 -0.38 119.74 123.35 1a12 s LYS 416 Ca 0.35 -0.57 -0.31 0.00 -0.36 0.00 0.00 55.97 55.07 1a12 s LYS 416 Cb 0.08 0.21 -0.09 0.00 -1.51 0.00 0.00 37.83 36.51 1a12 s LYS 416 CO 0.14 -0.12 1.51 -0.51 -0.36 0.00 0.00 175.35 176.01 1a12 s ASP 417 N -1.71 6.66 -0.08 1.43 1.01 -1.26 -0.14 116.67 122.56 1a12 s ASP 417 Ca -0.11 2.54 -0.01 0.00 0.71 0.00 0.00 52.55 55.68 1a12 s ASP 417 Cb -0.05 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 1a12 s ASP 417 CO -0.01 -0.77 0.19 1.17 0.21 0.00 0.00 175.17 175.95 1a12 n LYS 418 N 3.86 0.00 -0.36 8.23 3.00 -0.65 -4.55 118.16 127.70 1a12 n LYS 418 Ca 0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.31 1a12 n LYS 418 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 35.03 35.33 1a12 n LYS 418 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1a12 n GLU 419 N 0.49 0.00 -0.02 1.64 2.13 -1.26 -4.98 120.64 118.64 1a12 n GLU 419 Ca 0.06 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.92 1a12 n GLU 419 Cb 0.01 -0.27 -0.11 0.00 0.27 0.00 0.00 31.44 31.35 1a12 n GLU 419 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1a12 n GLN 420 N 0.27 0.74 0.00 5.31 6.02 -1.26 -5.12 117.38 123.34 1a12 n GLN 420 Ca 0.05 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1a12 n GLN 420 Cb 0.06 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 29.99 1a12 n GLN 420 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50