#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iji s MET 48 N 0.00 3.65 0.21 1.97 -2.45 -1.26 -0.55 119.30 120.86 3iji s MET 48 Ca 0.00 -0.52 0.10 0.00 -1.25 0.00 0.00 55.69 54.02 3iji s MET 48 Cb 0.00 -2.99 -0.05 0.00 1.25 0.00 0.00 34.83 33.04 3iji s MET 48 CO 0.00 0.14 -0.18 0.95 1.05 0.00 0.00 175.02 176.97 3iji s THR 49 N 0.65 2.03 0.02 10.11 -4.23 0.12 -4.99 115.64 119.36 3iji s THR 49 Ca -0.01 -2.13 -0.28 0.00 -1.18 0.00 0.00 61.69 58.08 3iji s THR 49 Cb -0.14 -2.05 0.07 0.00 1.34 0.00 0.00 72.50 71.72 3iji s THR 49 CO 0.02 -0.39 0.67 0.72 -0.54 0.00 0.00 174.62 175.11 3iji s PHE 50 N -2.36 -0.59 -0.03 3.99 -0.12 -1.26 -0.85 117.98 116.76 3iji s PHE 50 Ca 0.22 0.79 -0.30 0.00 -0.05 0.00 0.00 56.93 57.59 3iji s PHE 50 Cb -0.04 0.47 0.07 0.00 -0.63 0.00 0.00 43.02 42.89 3iji s PHE 50 CO 0.09 -0.68 0.68 -0.59 -0.05 0.00 0.00 175.22 174.67 3iji s PHE 51 N -2.17 -0.63 0.35 3.49 -0.12 -0.70 -4.99 117.98 113.21 3iji s PHE 51 Ca -0.06 0.99 -0.28 0.00 -0.05 0.00 0.00 56.93 57.53 3iji s PHE 51 Cb -0.00 0.43 -0.10 0.00 -0.63 0.00 0.00 43.02 42.72 3iji s PHE 51 CO 0.01 -0.63 1.33 -2.14 -0.05 0.00 0.00 175.22 173.74 3iji s PRO 52 N -1.55 4.26 -0.43 1.99 0.02 -1.26 -1.05 135.00 136.98 3iji s PRO 52 Ca -0.09 2.26 0.05 0.00 0.02 0.00 0.00 61.00 63.24 3iji s PRO 52 Cb -0.00 -3.01 0.17 0.00 0.02 0.00 0.00 34.50 31.69 3iji s PRO 52 CO 0.06 -0.29 0.46 -0.47 -0.33 0.00 0.00 177.00 176.43 3iji s TYR 53 N -1.16 0.03 0.21 6.54 5.04 0.93 -4.84 117.35 124.11 3iji s TYR 53 Ca 0.51 -1.52 -0.32 0.00 -2.44 0.00 0.00 57.07 53.30 3iji s TYR 53 Cb -0.40 -0.46 -0.12 0.00 0.35 0.00 0.00 41.96 41.32 3iji s TYR 53 CO 0.54 -0.99 1.67 -1.91 -1.34 0.00 0.00 175.55 173.53 3iji n GLU 54 N 3.16 2.64 -3.04 4.97 2.13 -1.26 -3.99 120.64 125.25 3iji n GLU 54 Ca 0.23 0.95 -0.40 0.00 0.66 0.00 0.00 57.16 58.60 3iji n GLU 54 Cb 0.49 -2.77 -0.05 0.00 0.27 0.00 0.00 31.44 29.38 3iji n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3iji s LEU 55 N 0.88 4.44 -0.29 4.31 1.43 -0.08 -4.92 118.68 124.45 3iji s LEU 55 Ca 0.74 1.36 -0.11 0.00 -1.03 0.00 0.00 54.13 55.10 3iji s LEU 55 Cb -0.54 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 3iji s LEU 55 CO 0.36 0.04 0.19 -0.54 0.23 0.00 0.00 176.35 176.62 3iji s LYS 56 N -0.08 3.76 0.24 1.70 -0.14 -1.26 -1.27 119.74 122.70 3iji s LYS 56 Ca 0.36 -0.45 -0.27 0.00 -1.36 0.00 0.00 55.97 54.25 3iji s LYS 56 Cb -0.20 -3.65 -0.09 0.00 -1.68 0.00 0.00 37.83 32.21 3iji s LYS 56 CO 0.21 -0.26 0.89 -0.51 -0.76 0.00 0.00 175.35 174.92 3iji s LEU 57 N 1.72 4.54 0.38 3.17 1.43 -0.55 -0.49 118.68 128.89 3iji s LEU 57 Ca 0.07 1.82 0.07 0.00 -1.03 0.00 0.00 54.13 55.06 3iji s LEU 57 Cb -0.16 -3.64 0.76 0.00 0.03 0.00 0.00 46.19 43.18 3iji s LEU 57 CO 0.10 0.11 1.95 0.03 0.23 0.00 0.00 176.35 178.76 3iji h ARG 58 N 3.90 0.41 -4.02 1.70 3.08 -1.38 -3.45 114.38 114.63 3iji h ARG 58 Ca -0.46 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 59.40 3iji h ARG 58 Cb 1.20 -0.07 -0.12 0.00 0.08 0.00 0.00 29.97 31.06 3iji h ARG 58 CO 0.67 0.42 -0.36 -1.01 -1.07 0.00 0.00 179.97 178.61 3iji s HIS 59 N -5.03 0.58 0.19 3.04 3.76 -1.26 -5.06 115.29 111.51 3iji s HIS 59 Ca -0.07 -0.91 -0.33 0.00 -0.15 0.00 0.00 55.06 53.60 3iji s HIS 59 Cb 0.16 -0.14 -0.13 0.00 1.11 0.00 0.00 32.58 33.59 3iji s HIS 59 CO 0.74 -0.75 1.68 0.28 -0.85 0.00 0.00 174.74 175.85 3iji n VAL 60 N -0.25 0.00 -4.51 -0.90 0.31 -1.26 -4.81 118.33 106.91 3iji n VAL 60 Ca -0.04 -0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.95 3iji n VAL 60 Cb 0.63 -1.85 -0.15 0.00 -0.91 0.00 0.00 33.84 31.56 3iji n VAL 60 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3iji s PHE 61 N 1.11 2.82 -0.05 3.52 5.36 -0.15 -4.93 117.98 125.66 3iji s PHE 61 Ca 0.76 -0.89 0.05 0.00 -0.96 0.00 0.00 56.93 55.90 3iji s PHE 61 Cb -0.56 -1.91 -0.02 0.00 -0.34 0.00 0.00 43.02 40.20 3iji s PHE 61 CO 0.34 -0.39 -0.20 0.99 -1.46 0.00 0.00 175.22 174.49 3iji s THR 62 N 0.75 2.52 -0.24 0.12 2.01 -1.26 -0.99 115.64 118.55 3iji s THR 62 Ca -0.05 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.04 3iji s THR 62 Cb -0.15 -1.95 0.06 0.00 0.01 0.00 0.00 72.50 70.47 3iji s THR 62 CO 0.01 0.58 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.79 3iji s VAL 63 N -0.46 1.48 0.00 3.82 1.01 0.21 -4.97 120.40 121.48 3iji s VAL 63 Ca 0.05 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.80 3iji s VAL 63 Cb -0.12 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.48 3iji s VAL 63 CO 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 175.10 174.96 3iji n ALA 64 N 4.68 0.00 -0.27 5.51 0.00 -1.26 -0.87 120.51 128.31 3iji n ALA 64 Ca -0.11 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.39 3iji n ALA 64 Cb 0.44 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.06 3iji n ALA 64 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3iji n THR 65 N 0.00 1.15 -3.69 0.00 -2.24 -1.26 -4.94 114.28 103.30 3iji n THR 65 Ca 0.00 -1.10 -0.39 0.00 -2.27 0.00 0.00 64.05 60.30 3iji n THR 65 Cb 0.00 0.41 -0.12 0.00 -2.10 0.00 0.00 70.33 68.53 3iji n THR 65 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3iji s TYR 66 N -1.21 3.22 0.06 4.78 5.04 -0.04 -5.09 117.35 124.11 3iji s TYR 66 Ca 0.26 -1.05 0.03 0.00 -2.44 0.00 0.00 57.07 53.87 3iji s TYR 66 Cb 0.15 -2.34 -0.04 0.00 0.35 0.00 0.00 41.96 40.08 3iji s TYR 66 CO 0.15 -0.63 0.06 -1.12 -1.34 0.00 0.00 175.55 172.68 3iji s SER 67 N 1.51 5.46 0.18 4.32 0.01 -1.26 -0.62 113.70 123.30 3iji s SER 67 Ca 0.01 -0.01 -0.16 0.00 1.31 0.00 0.00 55.95 57.11 3iji s SER 67 Cb -0.18 -1.46 0.02 0.00 0.21 0.00 0.00 66.02 64.61 3iji s SER 67 CO 0.05 0.20 0.46 0.00 0.41 0.00 0.00 173.24 174.36 3iji s ARG 68 N -2.22 1.30 0.00 12.44 1.70 -0.16 -4.96 118.95 127.05 3iji s ARG 68 Ca 0.27 -0.90 0.00 0.00 -0.47 0.00 0.00 55.73 54.63 3iji s ARG 68 Cb -0.12 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 34.75 3iji s ARG 68 CO 0.20 -0.54 0.36 0.25 -1.08 0.00 0.00 175.30 174.49 3iji n THR 69 N -0.30 0.00 -3.98 4.99 -2.24 -1.26 -0.97 114.28 110.51 3iji n THR 69 Ca -0.10 -0.40 -0.08 0.00 -2.27 0.00 0.00 64.05 61.20 3iji n THR 69 Cb 0.63 1.19 -0.08 0.00 -2.10 0.00 0.00 70.33 69.96 3iji n THR 69 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3iji s THR 70 N -0.07 0.15 -0.05 4.28 -4.23 -1.26 -1.49 115.64 112.97 3iji s THR 70 Ca 0.00 -1.50 -0.02 0.00 -1.18 0.00 0.00 61.69 59.00 3iji s THR 70 Cb 0.00 -1.55 0.03 0.00 1.34 0.00 0.00 72.50 72.32 3iji s THR 70 CO 0.00 -0.69 0.04 -0.89 -0.54 0.00 0.00 174.62 172.55 3iji s THR 71 N -3.92 0.02 0.43 3.99 2.01 -0.40 -4.94 115.64 112.83 3iji s THR 71 Ca 0.10 0.35 -0.26 0.00 0.31 0.00 0.00 61.69 62.19 3iji s THR 71 Cb 0.06 -0.25 -0.09 0.00 0.01 0.00 0.00 72.50 72.23 3iji s THR 71 CO -0.08 0.20 1.41 -2.65 -0.69 0.00 0.00 174.62 172.81 3iji n PRO 72 N 5.24 2.26 -3.62 4.92 -0.02 -1.26 -0.90 135.00 141.63 3iji n PRO 72 Ca -0.04 0.80 -0.16 0.00 -2.02 0.00 0.00 63.50 62.08 3iji n PRO 72 Cb 0.50 -2.58 -0.07 0.00 -0.02 0.00 0.00 33.50 31.33 3iji n PRO 72 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3iji s ASP 73 N -0.42 -0.54 -0.08 2.55 -1.08 -1.26 -0.58 116.67 115.27 3iji s ASP 73 Ca 0.60 0.71 0.02 0.00 -0.52 0.00 0.00 52.55 53.35 3iji s ASP 73 Cb -0.47 0.68 0.01 0.00 -1.46 0.00 0.00 42.92 41.68 3iji s ASP 73 CO 0.59 -0.46 -0.13 -0.69 0.52 0.00 0.00 175.17 175.00 3iji s VAL 74 N -0.81 1.22 -0.14 1.11 1.01 0.18 -0.05 120.40 122.92 3iji s VAL 74 Ca -0.09 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 3iji s VAL 74 Cb -0.02 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 3iji s VAL 74 CO 0.06 0.38 0.24 -1.10 0.00 0.00 0.00 175.10 174.68 3iji s GLN 75 N 0.76 4.01 0.06 2.72 -1.52 -0.21 -0.92 119.66 124.55 3iji s GLN 75 Ca -0.12 0.02 0.09 0.00 -1.95 0.00 0.00 55.36 53.40 3iji s GLN 75 Cb -0.16 -3.34 -0.03 0.00 -0.22 0.00 0.00 33.01 29.26 3iji s GLN 75 CO 0.03 0.44 -0.26 0.08 -0.25 0.00 0.00 175.29 175.32 3iji s VAL 76 N -0.11 2.13 -0.03 1.09 1.01 -0.11 -1.71 120.40 122.67 3iji s VAL 76 Ca 0.15 -1.43 0.01 0.00 0.00 0.00 0.00 61.98 60.71 3iji s VAL 76 Cb -0.13 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.44 3iji s VAL 76 CO 0.04 0.32 -0.03 -1.61 0.00 0.00 0.00 175.10 173.82 3iji s GLU 77 N -1.35 0.48 -0.19 2.72 2.02 -0.03 -0.04 118.70 122.31 3iji s GLU 77 Ca 0.12 -0.05 0.01 0.00 0.02 0.00 0.00 54.97 55.07 3iji s GLU 77 Cb -0.10 -0.55 0.03 0.00 0.10 0.00 0.00 34.13 33.62 3iji s GLU 77 CO 0.03 -0.05 -0.15 0.42 0.02 0.00 0.00 175.26 175.53 3iji s ILE 78 N 0.65 1.86 -0.12 -1.63 1.01 -0.47 -0.70 121.20 121.80 3iji s ILE 78 Ca -0.07 -1.00 -0.05 0.00 0.00 0.00 0.00 60.65 59.53 3iji s ILE 78 Cb -0.11 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 3iji s ILE 78 CO -0.01 0.34 0.06 -0.70 0.00 0.00 0.00 174.94 174.63 3iji s GLU 79 N 1.33 3.35 -0.17 2.79 -6.30 0.28 -0.78 118.70 119.20 3iji s GLU 79 Ca 0.01 -0.30 -0.05 0.00 -2.50 0.00 0.00 54.97 52.13 3iji s GLU 79 Cb -0.15 -3.01 0.08 0.00 0.00 0.00 0.00 34.13 31.05 3iji s GLU 79 CO -0.10 0.63 0.30 -0.47 0.02 0.00 0.00 175.26 175.64 3iji s TYR 80 N -0.65 -0.52 -1.55 5.30 5.04 0.25 -0.94 117.35 124.28 3iji s TYR 80 Ca 0.11 0.92 -0.07 0.00 -2.44 0.00 0.00 57.07 55.59 3iji s TYR 80 Cb -0.12 -0.03 0.07 0.00 0.35 0.00 0.00 41.96 42.23 3iji s TYR 80 CO 0.02 -0.47 0.49 0.39 -1.34 0.00 0.00 175.55 174.64 3iji n GLU 81 N 5.35 -2.77 -0.34 4.97 1.02 -1.26 -1.05 120.64 126.57 3iji n GLU 81 Ca -0.06 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 3iji n GLU 81 Cb 0.50 -4.58 0.00 0.00 -0.02 0.00 0.00 31.44 27.33 3iji n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iji n GLY 82 N -1.84 1.56 3.69 0.62 0.00 -1.26 -5.03 105.19 102.92 3iji n GLY 82 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 3iji n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iji s VAL 83 N -3.07 4.48 -0.10 1.61 1.01 -0.21 -5.11 120.40 119.01 3iji s VAL 83 Ca 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3iji s VAL 83 Cb 0.00 -2.91 -0.00 0.00 0.00 0.00 0.00 36.38 33.46 3iji s VAL 83 CO 0.00 0.58 -0.24 -0.89 0.00 0.00 0.00 175.10 174.56 3iji s THR 84 N -0.65 2.10 -0.12 3.92 2.01 -1.26 -0.58 115.64 121.05 3iji s THR 84 Ca 0.11 -1.01 -0.04 0.00 0.31 0.00 0.00 61.69 61.06 3iji s THR 84 Cb -0.12 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 3iji s THR 84 CO 0.02 0.56 0.02 -0.83 -0.69 0.00 0.00 174.62 173.70 3iji s GLY 85 N 0.31 1.87 -0.17 4.40 0.00 0.03 -4.71 107.32 109.05 3iji s GLY 85 Ca -0.18 -0.78 -0.08 0.00 0.00 0.00 0.00 44.72 43.69 3iji s GLY 85 CO 0.09 -0.31 0.09 -0.19 0.00 0.00 0.00 173.10 172.77 3iji s TYR 86 N -0.37 3.33 0.29 1.90 2.02 -1.26 -1.37 117.35 121.89 3iji s TYR 86 Ca 0.08 0.21 0.04 0.00 -0.37 0.00 0.00 57.07 57.02 3iji s TYR 86 Cb -0.12 -2.07 -0.06 0.00 -0.40 0.00 0.00 41.96 39.31 3iji s TYR 86 CO 0.02 0.28 0.03 0.20 -1.57 0.00 0.00 175.55 174.51 3iji s GLY 87 N 0.13 1.89 -0.15 0.71 0.00 0.94 -3.43 107.32 107.42 3iji s GLY 87 Ca 0.06 -1.95 -0.22 0.00 0.00 0.00 0.00 44.72 42.61 3iji s GLY 87 CO 0.00 -1.77 0.57 1.85 0.00 0.00 0.00 173.10 173.75 3iji s GLU 88 N -3.87 0.77 -0.09 2.90 2.12 -1.25 -0.93 118.70 118.36 3iji s GLU 88 Ca 0.33 0.52 0.03 0.00 0.36 0.00 0.00 54.97 56.22 3iji s GLU 88 Cb 0.07 0.37 0.01 0.00 0.26 0.00 0.00 34.13 34.84 3iji s GLU 88 CO 0.13 -0.16 -0.18 0.00 -0.54 0.00 0.00 175.26 174.51 3iji s ALA 89 N -0.32 1.74 -0.11 6.30 0.00 -0.10 -3.46 121.76 125.82 3iji s ALA 89 Ca -0.05 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.23 3iji s ALA 89 Cb -0.03 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 3iji s ALA 89 CO 0.04 0.17 -0.20 0.45 0.00 0.00 0.00 175.76 176.21 3iji s SER 90 N 0.56 3.41 -0.71 0.00 0.15 -1.26 -0.65 113.70 115.20 3iji s SER 90 Ca -0.16 -0.48 0.05 0.00 0.70 0.00 0.00 55.95 56.07 3iji s SER 90 Cb -0.17 -1.46 0.19 0.00 -1.71 0.00 0.00 66.02 62.87 3iji s SER 90 CO 0.05 0.16 0.58 0.23 1.20 0.00 0.00 173.24 175.47 3iji n MET 91 N 3.50 2.07 -1.69 5.44 2.81 0.25 -4.92 117.12 124.59 3iji n MET 91 Ca -0.19 -4.54 -0.43 0.00 -1.81 0.00 0.00 57.70 50.73 3iji n MET 91 Cb 0.53 -2.29 -0.03 0.00 -0.71 0.00 0.00 33.22 30.72 3iji n MET 91 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3iji n PRO 92 N 1.69 2.68 -0.33 0.03 -0.02 -1.26 -4.01 135.00 133.79 3iji n PRO 92 Ca 0.22 0.98 0.24 0.00 -2.02 0.00 0.00 63.50 62.92 3iji n PRO 92 Cb 0.36 -2.85 0.46 0.00 -0.02 0.00 0.00 33.50 31.45 3iji n PRO 92 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3iji h PRO 93 N 8.23 0.09 0.00 0.52 0.11 -1.94 -0.08 132.00 138.93 3iji h PRO 93 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3iji h PRO 93 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3iji h PRO 93 CO 0.94 0.06 0.00 2.48 -0.21 0.00 0.00 178.00 181.27 3iji n TYR 94 N -5.27 0.00 0.67 0.65 0.18 -1.26 -2.94 117.16 109.19 3iji n TYR 94 Ca 0.31 0.00 0.09 0.00 1.88 0.00 0.00 57.90 60.19 3iji n TYR 94 Cb 1.03 -0.25 0.26 0.00 -0.38 0.00 0.00 39.34 40.01 3iji n TYR 94 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3iji n LEU 95 N -1.25 2.47 0.00 -3.48 4.77 -0.04 -4.97 117.00 114.50 3iji n LEU 95 Ca 0.09 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 3iji n LEU 95 Cb 0.13 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3iji n LEU 95 CO 0.13 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 3iji n GLY 96 N 1.27 2.38 3.85 -0.72 0.00 -1.15 -5.04 105.19 105.79 3iji n GLY 96 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 3iji n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iji s GLU 97 N -0.60 2.90 0.27 1.61 2.02 -1.26 -5.06 118.70 118.58 3iji s GLU 97 Ca 0.00 -1.12 -0.03 0.00 0.02 0.00 0.00 54.97 53.84 3iji s GLU 97 Cb 0.00 -2.57 -0.02 0.00 0.10 0.00 0.00 34.13 31.64 3iji s GLU 97 CO 0.00 0.27 0.34 0.95 0.02 0.00 0.00 175.26 176.84 3iji s THR 98 N -2.19 0.00 0.20 3.63 -4.23 -1.26 -4.66 115.64 107.13 3iji s THR 98 Ca 0.37 -1.74 -0.11 0.00 -1.18 0.00 0.00 61.69 59.02 3iji s THR 98 Cb -0.07 -2.47 0.12 0.00 1.34 0.00 0.00 72.50 71.41 3iji s THR 98 CO 0.26 0.00 1.83 0.58 -0.54 0.00 0.00 174.62 176.75 3iji h VAL 99 N 2.31 1.07 -0.03 2.29 2.07 -1.94 -0.92 116.25 121.10 3iji h VAL 99 Ca -0.30 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3iji h VAL 99 Cb 1.24 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3iji h VAL 99 CO 0.42 0.14 0.00 -0.08 0.02 0.00 0.00 177.57 178.07 3iji h GLU 100 N 0.75 0.01 -0.75 1.57 4.81 -1.99 -0.07 114.58 118.92 3iji h GLU 100 Ca 0.26 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 3iji h GLU 100 Cb 0.03 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 3iji h GLU 100 CO -0.11 0.01 0.36 0.66 -0.73 0.00 0.00 179.01 179.20 3iji h SER 101 N 0.01 0.99 -0.22 1.04 4.64 -1.87 -0.41 113.55 117.74 3iji h SER 101 Ca 0.01 -0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 61.13 3iji h SER 101 Cb 0.02 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 3iji h SER 101 CO -0.02 0.85 -0.11 0.58 -0.87 0.00 0.00 176.83 177.26 3iji h VAL 102 N 1.06 1.31 -0.60 0.95 2.07 -1.00 -0.84 116.25 119.19 3iji h VAL 102 Ca 0.26 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3iji h VAL 102 Cb 0.13 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3iji h VAL 102 CO -0.03 0.36 0.29 0.24 0.02 0.00 0.00 177.57 178.45 3iji h MET 103 N 0.16 0.87 -0.50 1.57 2.07 -0.89 -0.27 114.93 117.93 3iji h MET 103 Ca 0.05 -0.13 -0.06 0.00 -2.07 0.00 0.00 59.70 57.49 3iji h MET 103 Cb 0.61 -0.16 -0.02 0.00 -1.87 0.00 0.00 31.60 30.16 3iji h MET 103 CO 0.03 0.70 0.06 -0.91 1.07 0.00 0.00 176.91 177.86 3iji h ASN 104 N 0.82 0.76 -0.05 1.22 2.35 -1.00 -1.54 115.58 118.14 3iji h ASN 104 Ca 0.21 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3iji h ASN 104 Cb 0.12 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 3iji h ASN 104 CO -0.03 0.79 -0.02 0.15 -1.65 0.00 0.00 177.43 176.67 3iji h PHE 105 N 0.76 0.13 -0.41 1.19 3.57 -0.76 -3.08 116.94 118.35 3iji h PHE 105 Ca 0.16 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.68 3iji h PHE 105 Cb 0.38 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3iji h PHE 105 CO 0.02 0.48 0.27 -0.07 -2.23 0.00 0.00 178.31 176.78 3iji h LEU 106 N -0.26 0.28 -1.43 0.59 3.38 -0.89 0.28 115.31 117.27 3iji h LEU 106 Ca 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3iji h LEU 106 Cb 0.44 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3iji h LEU 106 CO 0.01 0.19 0.00 0.11 0.09 0.00 0.00 178.44 178.83 3iji h LYS 107 N 0.32 0.00 0.00 1.13 1.57 -1.19 -2.09 116.57 116.31 3iji h LYS 107 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3iji h LYS 107 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3iji h LYS 107 CO -0.04 0.00 -0.59 0.87 -0.57 0.00 0.00 179.45 179.12 3iji h LYS 108 N 0.00 0.00 -6.17 3.15 1.57 -0.93 -3.46 116.57 110.73 3iji h LYS 108 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 3iji h LYS 108 Cb 0.30 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 3iji h LYS 108 CO 0.00 0.00 0.75 0.08 -0.57 0.00 0.00 179.45 179.71 3iji s VAL 109 N -3.25 4.56 -0.40 0.50 1.01 -0.79 -5.01 120.40 117.02 3iji s VAL 109 Ca 0.04 1.86 -0.02 0.00 0.00 0.00 0.00 61.98 63.87 3iji s VAL 109 Cb 0.10 -4.20 0.11 0.00 0.00 0.00 0.00 36.38 32.39 3iji s VAL 109 CO 0.73 -0.10 0.18 0.21 0.00 0.00 0.00 175.10 176.11 3iji s ASN 110 N 1.39 5.17 0.03 3.32 2.47 -1.26 -4.90 114.94 121.15 3iji s ASN 110 Ca 0.49 -2.05 0.23 0.00 0.42 0.00 0.00 52.86 51.94 3iji s ASN 110 Cb -0.19 -1.79 -0.00 0.00 -1.45 0.00 0.00 41.25 37.82 3iji s ASN 110 CO 0.13 -0.51 0.98 0.18 -3.72 0.00 0.00 177.10 174.16 3iji n LEU 111 N 4.53 0.62 0.29 3.21 4.77 -1.26 -4.13 117.00 125.04 3iji n LEU 111 Ca -0.01 -0.10 0.17 0.00 -0.03 0.00 0.00 56.01 56.04 3iji n LEU 111 Cb 0.41 -0.08 0.89 0.00 -2.33 0.00 0.00 43.42 42.31 3iji n LEU 111 CO 0.31 0.08 1.06 -0.33 -1.33 0.00 0.00 177.39 177.18 3iji h GLU 112 N 0.00 0.00 0.00 3.23 5.08 -2.00 -0.99 114.58 119.90 3iji h GLU 112 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iji h GLU 112 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3iji h GLU 112 CO 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 3iji n GLN 113 N -3.32 0.03 -3.67 2.33 10.64 -1.26 -4.62 117.38 117.51 3iji n GLN 113 Ca -0.02 0.12 -0.37 0.00 -1.83 0.00 0.00 57.00 54.90 3iji n GLN 113 Cb 0.20 -1.55 -0.11 0.00 -0.86 0.00 0.00 30.24 27.91 3iji n GLN 113 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3iji s PHE 114 N -3.03 3.17 -1.47 2.61 0.08 -0.38 -4.97 117.98 113.99 3iji s PHE 114 Ca 0.11 -0.09 0.25 0.00 0.12 0.00 0.00 56.93 57.33 3iji s PHE 114 Cb 0.15 -2.31 0.58 0.00 -0.57 0.00 0.00 43.02 40.87 3iji s PHE 114 CO 0.44 -0.21 1.46 -1.13 -0.10 0.00 0.00 175.22 175.68 3iji n SER 115 N 4.91 0.90 -3.77 1.36 3.41 -1.26 -4.76 113.62 114.41 3iji n SER 115 Ca -0.15 -0.71 -0.30 0.00 -0.26 0.00 0.00 58.87 57.46 3iji n SER 115 Cb 0.52 0.24 -0.15 0.00 -0.26 0.00 0.00 64.21 64.55 3iji n SER 115 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3iji s ASP 116 N -2.70 3.85 0.47 4.04 -1.08 -1.26 -5.00 116.67 115.00 3iji s ASP 116 Ca 0.19 -1.47 0.32 0.00 -0.52 0.00 0.00 52.55 51.07 3iji s ASP 116 Cb 0.18 -0.89 1.70 0.00 -1.46 0.00 0.00 42.92 42.46 3iji s ASP 116 CO 0.60 -0.37 1.98 1.55 0.52 0.00 0.00 175.17 179.44 3iji h PRO 117 N 8.08 0.00 0.00 4.34 0.13 -1.99 -2.35 132.00 140.21 3iji h PRO 117 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3iji h PRO 117 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3iji h PRO 117 CO 0.44 0.00 0.00 0.74 -0.23 0.00 0.00 178.00 178.95 3iji h PHE 118 N 0.00 0.00 -0.43 1.56 0.04 -1.96 -3.36 116.94 112.80 3iji h PHE 118 Ca 0.00 0.00 -0.70 0.00 2.80 0.00 0.00 57.97 60.07 3iji h PHE 118 Cb 0.04 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.15 3iji h PHE 118 CO 0.00 0.00 3.23 1.04 -0.60 0.00 0.00 178.31 181.98 3iji n GLN 119 N -2.34 3.85 -0.05 1.51 6.02 -0.89 -4.68 117.38 120.81 3iji n GLN 119 Ca 0.03 -2.71 0.01 0.00 -0.01 0.00 0.00 57.00 54.33 3iji n GLN 119 Cb 0.31 -2.82 0.33 0.00 1.02 0.00 0.00 30.24 29.08 3iji n GLN 119 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3iji h LEU 120 N 7.04 0.57 0.19 1.08 3.38 -1.86 -0.62 115.31 125.08 3iji h LEU 120 Ca 0.75 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.67 3iji h LEU 120 Cb 0.36 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3iji h LEU 120 CO 1.70 0.50 -0.14 -0.08 0.09 0.00 0.00 178.44 180.51 3iji h GLU 121 N 0.63 -0.32 -0.21 1.13 4.57 -1.96 -0.21 114.58 118.22 3iji h GLU 121 Ca 0.16 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 3iji h GLU 121 Cb 0.09 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3iji h GLU 121 CO -0.02 -0.22 0.00 -0.44 -1.18 0.00 0.00 179.01 177.16 3iji h ASP 122 N -0.34 0.36 -0.15 1.04 5.19 -1.90 -2.01 116.42 118.61 3iji h ASP 122 Ca -0.01 -0.31 -0.00 0.00 -0.62 0.00 0.00 57.03 56.09 3iji h ASP 122 Cb 0.30 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 3iji h ASP 122 CO -0.01 0.58 0.07 0.40 -3.12 0.00 0.00 179.24 177.16 3iji h ILE 123 N 0.13 1.12 0.00 0.35 2.04 -1.06 -1.87 117.51 118.21 3iji h ILE 123 Ca 0.06 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 3iji h ILE 123 Cb 0.39 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3iji h ILE 123 CO 0.01 0.11 -0.15 -0.07 0.00 0.00 0.00 178.15 178.05 3iji h LEU 124 N 0.11 0.00 -0.26 1.44 3.38 -1.08 -0.54 115.31 118.36 3iji h LEU 124 Ca 0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 3iji h LEU 124 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3iji h LEU 124 CO -0.01 0.15 -0.39 -1.28 0.09 0.00 0.00 178.44 177.01 3iji h SER 125 N 0.00 0.79 -0.26 -0.43 0.87 -1.18 -1.31 113.55 112.03 3iji h SER 125 Ca -0.00 -0.51 -0.01 0.00 -1.23 0.00 0.00 61.79 60.03 3iji h SER 125 Cb 0.78 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 3iji h SER 125 CO 0.02 1.15 0.12 0.22 -0.53 0.00 0.00 176.83 177.81 3iji h TYR 126 N 0.45 0.39 -0.74 2.24 3.20 -0.97 -1.85 116.97 119.69 3iji h TYR 126 Ca 0.03 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.89 3iji h TYR 126 Cb 0.98 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.09 3iji h TYR 126 CO 0.08 0.38 0.48 0.28 -1.64 0.00 0.00 178.16 177.74 3iji h VAL 127 N 0.29 1.15 -0.27 1.81 2.07 -1.03 -2.38 116.25 117.89 3iji h VAL 127 Ca 0.09 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 3iji h VAL 127 Cb 0.14 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 3iji h VAL 127 CO -0.01 0.18 -0.14 -0.78 0.02 0.00 0.00 177.57 176.84 3iji h ASP 128 N 0.97 0.43 0.60 0.57 3.58 -1.03 -2.80 116.42 118.74 3iji h ASP 128 Ca 0.28 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.62 3iji h ASP 128 Cb -0.06 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.88 3iji h ASP 128 CO -0.08 0.60 0.00 -1.54 -2.88 0.00 0.00 179.24 175.34 3iji n SER 129 N -4.21 0.46 0.22 2.28 3.41 -0.71 -3.18 113.62 111.88 3iji n SER 129 Ca 0.00 0.62 0.15 0.00 -0.26 0.00 0.00 58.87 59.38 3iji n SER 129 Cb 0.32 -0.71 0.59 0.00 -0.26 0.00 0.00 64.21 64.15 3iji n SER 129 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3iji h LEU 130 N 0.00 0.00 -7.16 1.04 3.38 -1.43 -3.46 115.31 107.67 3iji h LEU 130 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 3iji h LEU 130 Cb 0.30 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.92 3iji h LEU 130 CO 0.00 0.00 0.46 -0.94 0.09 0.00 0.00 178.44 178.05 3iji s SER 131 N -5.18 -0.34 0.13 -0.43 1.04 -1.19 -5.06 113.70 102.66 3iji s SER 131 Ca 0.03 -0.10 -0.14 0.00 0.48 0.00 0.00 55.95 56.22 3iji s SER 131 Cb 0.09 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 3iji s SER 131 CO 0.50 -0.73 1.53 -0.65 0.98 0.00 0.00 173.24 174.86 3iji h PRO 132 N 2.00 0.78 0.00 4.02 0.11 -1.89 -3.47 132.00 133.54 3iji h PRO 132 Ca -0.24 -0.30 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3iji h PRO 132 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3iji h PRO 132 CO 0.30 0.91 0.00 1.63 -0.21 0.00 0.00 178.00 180.63 3iji n LYS 133 N -4.33 0.00 -3.93 1.05 5.02 -1.26 -4.96 118.16 109.74 3iji n LYS 133 Ca -0.01 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.00 3iji n LYS 133 Cb 0.37 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.38 3iji n LYS 133 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3iji n ASP 134 N 0.00 -2.54 0.17 4.39 8.00 -1.26 -4.86 116.55 120.45 3iji n ASP 134 Ca 0.00 -0.89 0.04 0.00 0.71 0.00 0.00 54.79 54.65 3iji n ASP 134 Cb 0.00 -3.51 0.46 0.00 -0.02 0.00 0.00 41.12 38.05 3iji n ASP 134 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3iji h THR 135 N -1.87 1.14 -0.17 -3.53 1.35 -1.90 -1.46 112.91 106.47 3iji h THR 135 Ca -0.60 -0.62 -0.17 0.00 -0.55 0.00 0.00 66.41 64.46 3iji h THR 135 Cb 1.37 1.22 0.01 0.00 -1.73 0.00 0.00 68.15 69.02 3iji h THR 135 CO 0.66 0.19 -0.57 0.00 -0.25 0.00 0.00 175.52 175.54 3iji h ALA 136 N 1.76 0.30 -0.80 6.62 0.00 -1.83 0.07 119.26 125.38 3iji h ALA 136 Ca 0.03 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 3iji h ALA 136 Cb 0.30 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3iji h ALA 136 CO 0.02 0.53 0.36 0.00 0.00 0.00 0.00 179.25 180.16 3iji h ALA 137 N 0.56 1.04 -0.47 0.00 0.00 -1.83 -1.62 119.26 116.93 3iji h ALA 137 Ca -0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 3iji h ALA 137 Cb 1.19 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3iji h ALA 137 CO 0.12 0.62 -0.14 0.87 0.00 0.00 0.00 179.25 180.72 3iji h LYS 138 N 1.14 0.90 -0.64 0.00 1.57 -1.19 -2.78 116.57 115.57 3iji h LYS 138 Ca 0.27 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3iji h LYS 138 Cb 0.15 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3iji h LYS 138 CO -0.03 0.98 0.31 0.00 -0.57 0.00 0.00 179.45 180.13 3iji h ALA 139 N 1.04 1.33 -0.86 3.86 0.00 -0.50 -1.65 119.26 122.48 3iji h ALA 139 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3iji h ALA 139 Cb 0.67 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3iji h ALA 139 CO 0.05 0.52 0.51 0.00 0.00 0.00 0.00 179.25 180.33 3iji h ALA 140 N 1.43 1.09 -0.34 0.00 0.00 -1.03 0.21 119.26 120.62 3iji h ALA 140 Ca 0.22 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3iji h ALA 140 Cb 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3iji h ALA 140 CO -0.03 0.56 -0.08 0.28 0.00 0.00 0.00 179.25 179.98 3iji h VAL 141 N 1.18 1.28 -0.30 0.00 2.07 -1.36 -2.17 116.25 116.95 3iji h VAL 141 Ca 0.31 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.69 3iji h VAL 141 Cb -0.04 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3iji h VAL 141 CO -0.06 0.37 0.20 -0.78 0.02 0.00 0.00 177.57 177.32 3iji h ASP 142 N 0.45 0.34 -0.42 0.57 -0.00 -0.80 -1.04 116.42 115.52 3iji h ASP 142 Ca 0.09 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.03 57.10 3iji h ASP 142 Cb 0.58 -0.08 -0.02 0.00 -0.00 0.00 0.00 39.33 39.81 3iji h ASP 142 CO 0.03 0.25 0.21 0.40 -0.00 0.00 0.00 179.24 180.13 3iji h ILE 143 N 0.40 1.17 -0.86 2.25 2.04 -0.53 -0.89 117.51 121.09 3iji h ILE 143 Ca 0.11 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 3iji h ILE 143 Cb -0.04 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 3iji h ILE 143 CO -0.03 0.18 0.45 0.00 0.00 0.00 0.00 178.15 178.76 3iji h ALA 144 N 1.06 1.10 -0.66 1.87 0.00 -1.22 -0.87 119.26 120.55 3iji h ALA 144 Ca 0.15 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3iji h ALA 144 Cb 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3iji h ALA 144 CO -0.02 0.63 0.08 -0.07 0.00 0.00 0.00 179.25 179.87 3iji h LEU 145 N 1.20 1.06 -0.61 0.00 3.38 -0.80 -0.79 115.31 118.76 3iji h LEU 145 Ca 0.30 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 3iji h LEU 145 Cb 0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3iji h LEU 145 CO -0.04 1.07 -0.18 0.45 0.09 0.00 0.00 178.44 179.83 3iji h HIS 146 N 1.02 1.04 -0.45 1.13 3.86 -0.85 -0.09 115.15 120.81 3iji h HIS 146 Ca 0.20 -0.23 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 3iji h HIS 146 Cb 0.47 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 3iji h HIS 146 CO 0.04 1.01 0.22 0.22 0.86 0.00 0.00 177.93 180.28 3iji h ASP 147 N 0.80 0.58 0.18 2.45 3.58 -0.90 -0.06 116.42 123.05 3iji h ASP 147 Ca 0.12 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 3iji h ASP 147 Cb 0.72 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.63 3iji h ASP 147 CO 0.06 0.54 -0.09 0.25 -2.88 0.00 0.00 179.24 177.12 3iji h LEU 148 N 0.58 -0.20 -0.85 2.28 5.85 -0.92 -1.16 115.31 120.89 3iji h LEU 148 Ca 0.15 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.85 3iji h LEU 148 Cb 0.10 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3iji h LEU 148 CO -0.02 -0.10 0.55 0.58 -0.34 0.00 0.00 178.44 179.11 3iji h VAL 149 N -0.29 1.22 -0.67 1.05 2.07 -0.90 0.07 116.25 118.80 3iji h VAL 149 Ca -0.02 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 3iji h VAL 149 Cb 0.22 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 3iji h VAL 149 CO 0.04 0.22 0.22 1.23 0.02 0.00 0.00 177.57 179.30 3iji h GLY 150 N 1.15 1.09 1.33 2.17 0.00 -0.85 -0.49 103.07 107.47 3iji h GLY 150 Ca 0.31 -0.61 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 3iji h GLY 150 CO -0.07 0.57 -0.26 0.50 0.00 0.00 0.00 176.54 177.29 3iji h LYS 151 N 0.98 0.76 -0.11 4.80 1.57 -0.52 0.33 116.57 124.39 3iji h LYS 151 Ca 0.22 -0.32 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 3iji h LYS 151 Cb 0.26 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3iji h LYS 151 CO -0.01 0.94 -0.36 -0.07 -0.57 0.00 0.00 179.45 179.37 3iji h LEU 152 N 0.66 0.23 0.00 2.94 3.38 -0.49 -2.73 115.31 119.29 3iji h LEU 152 Ca 0.08 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3iji h LEU 152 Cb 0.77 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3iji h LEU 152 CO 0.06 0.58 -0.70 -0.07 0.09 0.00 0.00 178.44 178.41 3iji h LEU 153 N 0.19 0.00 -0.27 1.67 3.38 -0.84 -3.48 115.31 115.96 3iji h LEU 153 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3iji h LEU 153 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3iji h LEU 153 CO 0.06 0.20 -0.03 0.61 0.09 0.00 0.00 178.44 179.37 3iji n GLY 154 N 1.21 0.53 3.27 0.83 0.00 0.10 -5.06 105.19 106.07 3iji n GLY 154 Ca -0.00 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 45.12 3iji n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iji s ALA 155 N -2.42 -0.90 0.55 4.61 0.00 -0.47 -4.88 121.76 118.26 3iji s ALA 155 Ca 0.01 0.48 -0.16 0.00 0.00 0.00 0.00 51.96 52.29 3iji s ALA 155 Cb -0.01 0.03 -0.06 0.00 0.00 0.00 0.00 23.12 23.08 3iji s ALA 155 CO 0.01 -0.27 1.01 -1.25 0.00 0.00 0.00 175.76 175.27 3iji s PRO 156 N -1.22 3.73 0.45 0.00 0.04 -1.26 -1.65 135.00 135.09 3iji s PRO 156 Ca -0.12 1.00 0.17 0.00 0.04 0.00 0.00 61.00 62.08 3iji s PRO 156 Cb -0.05 -2.10 1.05 0.00 0.04 0.00 0.00 34.50 33.45 3iji s PRO 156 CO 0.05 -0.45 1.99 -1.49 0.04 0.00 0.00 177.00 177.13 3iji h TRP 157 N 0.65 0.00 -0.23 0.56 4.06 -1.72 -1.85 115.95 117.42 3iji h TRP 157 Ca -0.46 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.47 3iji h TRP 157 Cb 1.19 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.34 3iji h TRP 157 CO 0.63 0.19 0.06 0.10 -3.56 0.00 0.00 178.44 175.86 3iji h TYR 158 N 0.00 0.32 0.05 0.49 -0.00 -1.87 0.11 116.97 116.08 3iji h TYR 158 Ca -0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 58.73 58.49 3iji h TYR 158 Cb 0.37 -0.10 0.02 0.00 0.00 0.00 0.00 36.73 37.01 3iji h TYR 158 CO 0.00 0.29 -0.92 -0.22 -0.00 0.00 0.00 178.16 177.30 3iji h LYS 159 N 0.33 0.53 -0.67 0.10 3.64 -1.60 0.74 116.57 119.64 3iji h LYS 159 Ca 0.08 -0.64 -0.02 0.00 -1.27 0.00 0.00 60.65 58.80 3iji h LYS 159 Cb 0.12 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3iji h LYS 159 CO -0.00 1.26 0.33 0.82 -2.27 0.00 0.00 179.45 179.58 3iji h ILE 160 N 0.09 1.21 0.00 2.00 2.04 -0.85 -1.25 117.51 120.75 3iji h ILE 160 Ca -0.13 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.14 3iji h ILE 160 Cb 1.63 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 3iji h ILE 160 CO 0.18 0.25 0.00 0.79 0.00 0.00 0.00 178.15 179.37 3iji n TRP 161 N -4.35 0.00 -1.47 1.37 8.01 0.32 -4.92 117.44 116.40 3iji n TRP 161 Ca 0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.25 3iji n TRP 161 Cb 0.13 -0.35 0.00 0.00 -2.01 0.00 0.00 31.31 29.08 3iji n TRP 161 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3iji n GLY 162 N 1.15 0.44 3.94 6.99 0.00 -0.47 -5.06 105.19 112.18 3iji n GLY 162 Ca 0.11 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 3iji n GLY 162 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iji s LEU 163 N 0.00 4.15 -0.39 0.99 1.43 0.23 -5.02 118.68 120.06 3iji s LEU 163 Ca 0.00 0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 53.31 3iji s LEU 163 Cb 0.00 -3.19 0.01 0.00 0.03 0.00 0.00 46.19 43.04 3iji s LEU 163 CO 0.00 -0.16 0.41 0.21 0.23 0.00 0.00 176.35 177.04 3iji s ASN 164 N -3.69 6.19 0.64 2.29 3.84 -1.26 -4.56 114.94 118.40 3iji s ASN 164 Ca 0.38 -0.53 0.39 0.00 0.21 0.00 0.00 52.86 53.31 3iji s ASN 164 Cb -0.10 -2.22 2.18 0.00 -0.55 0.00 0.00 41.25 40.56 3iji s ASN 164 CO 0.32 -0.50 2.31 0.07 -2.79 0.00 0.00 177.10 176.50 3iji h LYS 165 N 8.64 0.00 0.00 0.43 2.10 -1.98 -0.47 116.57 125.29 3iji h LYS 165 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3iji h LYS 165 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 3iji h LYS 165 CO 0.76 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.60 3iji n GLU 166 N -3.35 0.02 -0.50 0.07 -0.58 -1.26 -2.62 120.64 112.41 3iji n GLU 166 Ca -0.03 0.19 0.07 0.00 -0.42 0.00 0.00 57.16 56.98 3iji n GLU 166 Cb 0.10 -1.53 0.29 0.00 -0.57 0.00 0.00 31.44 29.73 3iji n GLU 166 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3iji n LYS 167 N -1.56 3.22 -1.87 3.49 5.02 -0.18 -4.95 118.16 121.32 3iji n LYS 167 Ca 0.04 -2.30 -0.37 0.00 -2.02 0.00 0.00 58.31 53.67 3iji n LYS 167 Cb 0.22 -1.78 0.04 0.00 -0.02 0.00 0.00 35.03 33.50 3iji n LYS 167 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3iji s THR 168 N -1.80 2.30 0.72 -0.18 -4.23 -1.08 -4.42 115.64 106.95 3iji s THR 168 Ca 0.41 0.20 -0.05 0.00 -1.18 0.00 0.00 61.69 61.08 3iji s THR 168 Cb 0.27 -3.09 0.09 0.00 1.34 0.00 0.00 72.50 71.11 3iji s THR 168 CO 0.20 -0.03 1.01 -2.16 -0.54 0.00 0.00 174.62 173.10 3iji s PRO 169 N -3.18 1.89 0.29 3.99 0.04 -1.26 -4.78 135.00 131.98 3iji s PRO 169 Ca 0.77 -0.63 -0.25 0.00 0.04 0.00 0.00 61.00 60.93 3iji s PRO 169 Cb -0.36 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 31.86 3iji s PRO 169 CO 0.40 -1.37 0.89 -1.12 0.04 0.00 0.00 177.00 175.83 3iji s SER 170 N -4.62 7.30 0.00 6.66 0.01 -1.26 -1.47 113.70 120.32 3iji s SER 170 Ca 0.63 1.74 -0.02 0.00 1.31 0.00 0.00 55.95 59.62 3iji s SER 170 Cb -0.08 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 3iji s SER 170 CO 0.45 -0.02 0.15 0.28 0.41 0.00 0.00 173.24 174.51 3iji s THR 171 N -1.55 5.19 0.71 1.44 -1.32 -0.92 -4.07 115.64 115.12 3iji s THR 171 Ca 0.47 -0.27 -0.11 0.00 -1.21 0.00 0.00 61.69 60.57 3iji s THR 171 Cb -0.19 -3.42 0.02 0.00 -1.51 0.00 0.00 72.50 67.40 3iji s THR 171 CO 0.24 0.31 1.09 0.42 -2.21 0.00 0.00 174.62 174.47 3iji s THR 172 N -1.31 3.33 -0.01 5.08 -4.23 -0.54 -4.59 115.64 113.38 3iji s THR 172 Ca 0.27 0.39 -0.00 0.00 -1.18 0.00 0.00 61.69 61.16 3iji s THR 172 Cb -0.12 -3.42 0.01 0.00 1.34 0.00 0.00 72.50 70.30 3iji s THR 172 CO 0.18 -0.55 0.02 0.12 -0.54 0.00 0.00 174.62 173.85 3iji s PHE 173 N -3.35 -0.01 0.09 3.99 5.36 -1.24 -4.58 117.98 118.24 3iji s PHE 173 Ca 0.58 0.05 -0.20 0.00 -0.96 0.00 0.00 56.93 56.41 3iji s PHE 173 Cb -0.11 -0.03 -0.07 0.00 -0.34 0.00 0.00 43.02 42.48 3iji s PHE 173 CO 0.51 -0.02 0.59 0.99 -1.46 0.00 0.00 175.22 175.83 3iji s THR 174 N 0.15 4.70 -0.39 0.12 2.01 -1.26 -0.83 115.64 120.14 3iji s THR 174 Ca -0.01 1.25 -0.13 0.00 0.31 0.00 0.00 61.69 63.11 3iji s THR 174 Cb -0.02 -3.91 0.03 0.00 0.01 0.00 0.00 72.50 68.61 3iji s THR 174 CO -0.00 0.53 0.25 -0.63 -0.69 0.00 0.00 174.62 174.08 3iji s ILE 175 N -1.14 4.90 0.57 1.82 -1.09 -0.69 -4.92 121.20 120.64 3iji s ILE 175 Ca 0.30 -0.79 -0.19 0.00 -2.23 0.00 0.00 60.65 57.75 3iji s ILE 175 Cb -0.20 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 36.90 3iji s ILE 175 CO 0.20 -0.29 1.14 -0.83 -1.23 0.00 0.00 174.94 173.93 3iji s GLY 176 N 1.64 2.58 0.10 6.18 0.00 -1.26 -4.64 107.32 111.92 3iji s GLY 176 Ca 0.03 0.82 -0.31 0.00 0.00 0.00 0.00 44.72 45.26 3iji s GLY 176 CO 0.08 1.18 1.41 -0.42 0.00 0.00 0.00 173.10 175.36 3iji s ILE 177 N -1.82 3.29 0.03 0.90 1.01 -1.26 -4.79 121.20 118.56 3iji s ILE 177 Ca 0.73 0.90 -0.05 0.00 0.00 0.00 0.00 60.65 62.22 3iji s ILE 177 Cb -0.25 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.67 3iji s ILE 177 CO 0.30 0.06 0.26 -0.67 0.00 0.00 0.00 174.94 174.89 3iji n ASP 178 N 4.17 -0.37 -4.76 3.58 -0.08 -1.26 -5.06 116.55 112.77 3iji n ASP 178 Ca 0.12 -1.17 -0.37 0.00 -1.51 0.00 0.00 54.79 51.85 3iji n ASP 178 Cb 0.42 0.60 0.02 0.00 2.34 0.00 0.00 41.12 44.51 3iji n ASP 178 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3iji s THR 179 N -2.37 2.50 0.38 5.18 -4.23 -1.26 -4.69 115.64 111.15 3iji s THR 179 Ca 0.06 0.36 0.18 0.00 -1.18 0.00 0.00 61.69 61.10 3iji s THR 179 Cb -0.01 -3.17 0.38 0.00 1.34 0.00 0.00 72.50 71.04 3iji s THR 179 CO 0.01 -0.02 1.72 -0.65 -0.54 0.00 0.00 174.62 175.14 3iji h PRO 180 N 1.50 0.37 -0.30 3.99 0.11 -1.99 0.59 132.00 136.27 3iji h PRO 180 Ca -0.50 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 3iji h PRO 180 Cb 1.28 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3iji h PRO 180 CO 0.58 0.24 0.04 -0.44 -0.21 0.00 0.00 178.00 178.20 3iji h ASP 181 N 0.38 0.50 -0.43 -2.05 3.32 -2.00 -1.05 116.42 115.09 3iji h ASP 181 Ca 0.66 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 57.32 3iji h ASP 181 Cb 1.63 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 41.04 3iji h ASP 181 CO -0.40 0.65 -0.17 0.58 -1.72 0.00 0.00 179.24 178.17 3iji h VAL 182 N 0.33 1.28 -0.28 -1.35 2.07 -1.40 -2.15 116.25 114.75 3iji h VAL 182 Ca 0.09 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.30 3iji h VAL 182 Cb 0.37 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3iji h VAL 182 CO 0.01 0.44 0.18 0.58 0.02 0.00 0.00 177.57 178.81 3iji h VAL 183 N 0.71 1.08 -0.77 2.57 2.07 -0.88 0.18 116.25 121.20 3iji h VAL 183 Ca 0.10 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 3iji h VAL 183 Cb 0.73 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3iji h VAL 183 CO 0.06 0.07 0.33 0.03 0.02 0.00 0.00 177.57 178.08 3iji h ARG 184 N 0.38 1.14 0.07 1.57 3.08 -1.15 -0.18 114.38 119.29 3iji h ARG 184 Ca 0.10 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 3iji h ARG 184 Cb -0.04 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.82 3iji h ARG 184 CO -0.02 0.90 -0.04 0.00 -1.07 0.00 0.00 179.97 179.75 3iji h ALA 185 N 1.24 -0.10 -0.71 0.04 0.00 -0.98 -2.03 119.26 116.73 3iji h ALA 185 Ca 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3iji h ALA 185 Cb 0.17 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3iji h ALA 185 CO -0.03 -0.38 0.39 0.87 0.00 0.00 0.00 179.25 180.10 3iji h LYS 186 N -0.44 0.97 -0.28 0.00 1.79 -0.55 -0.98 116.57 117.08 3iji h LYS 186 Ca -0.01 -0.10 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 3iji h LYS 186 Cb 0.38 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 3iji h LYS 186 CO 0.02 0.71 0.10 1.15 -1.08 0.00 0.00 179.45 180.34 3iji h THR 187 N 0.98 1.19 -0.31 -0.16 2.02 -0.99 -2.83 112.91 112.81 3iji h THR 187 Ca 0.25 -0.59 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 3iji h THR 187 Cb 0.01 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3iji h THR 187 CO -0.04 0.20 -0.04 0.11 0.37 0.00 0.00 175.52 176.12 3iji h LYS 188 N 0.29 0.49 -0.14 6.66 1.57 -0.91 -0.50 116.57 124.02 3iji h LYS 188 Ca 0.09 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 3iji h LYS 188 Cb 0.22 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3iji h LYS 188 CO -0.00 0.54 -0.31 0.93 -0.57 0.00 0.00 179.45 180.04 3iji h GLU 189 N 0.46 0.27 0.00 3.15 5.08 -0.96 -3.35 114.58 119.23 3iji h GLU 189 Ca 0.10 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3iji h GLU 189 Cb 0.37 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3iji h GLU 189 CO 0.02 0.56 -1.51 0.00 -1.00 0.00 0.00 179.01 177.08 3iji h ALA 191 N 0.88 2.79 0.00 0.00 0.00 -1.22 0.13 119.26 121.84 3iji h ALA 191 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iji h ALA 191 Cb 0.66 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3iji h ALA 191 CO 0.00 -1.18 0.00 0.78 0.00 0.00 0.00 179.25 178.85 3iji h GLY 192 N 0.15 0.00 0.00 0.00 0.00 -1.83 -3.21 103.07 98.19 3iji h GLY 192 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.94 3iji h GLY 192 CO -0.15 0.00 -1.31 1.04 0.00 0.00 0.00 176.54 176.12 3iji n LEU 193 N -2.30 0.46 -4.49 3.11 4.77 0.03 -4.99 117.00 113.57 3iji n LEU 193 Ca 0.03 -0.27 -0.25 0.00 -0.03 0.00 0.00 56.01 55.48 3iji n LEU 193 Cb 0.27 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 3iji n LEU 193 CO 0.22 0.11 -0.47 -0.36 -1.33 0.00 0.00 177.39 175.57 3iji s PHE 194 N -2.97 2.40 -0.86 -1.77 0.08 -1.20 -2.79 117.98 110.88 3iji s PHE 194 Ca 0.01 -0.31 0.20 0.00 0.12 0.00 0.00 56.93 56.95 3iji s PHE 194 Cb 0.13 -1.12 -0.24 0.00 -0.57 0.00 0.00 43.02 41.22 3iji s PHE 194 CO 0.75 0.59 0.82 0.09 -0.10 0.00 0.00 175.22 177.38 3iji n ASN 195 N -0.21 0.87 -3.68 1.36 5.03 -1.26 -4.90 115.26 112.47 3iji n ASN 195 Ca -0.09 -0.87 -0.14 0.00 0.87 0.00 0.00 54.58 54.35 3iji n ASN 195 Cb 0.58 1.12 -0.09 0.00 -1.02 0.00 0.00 39.78 40.37 3iji n ASN 195 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 3iji s ILE 196 N -3.00 0.01 0.10 2.41 2.07 -1.26 -4.20 121.20 117.32 3iji s ILE 196 Ca 0.06 -0.06 0.08 0.00 -1.41 0.00 0.00 60.65 59.31 3iji s ILE 196 Cb 0.15 -0.75 -0.04 0.00 0.13 0.00 0.00 42.46 41.96 3iji s ILE 196 CO 0.85 -0.03 -0.15 -0.76 -1.91 0.00 0.00 174.94 172.93 3iji s LEU 197 N -0.11 2.82 -0.08 8.50 1.43 -0.75 -3.60 118.68 126.89 3iji s LEU 197 Ca -0.03 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.59 3iji s LEU 197 Cb -0.03 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 3iji s LEU 197 CO 0.02 0.19 -0.01 -0.75 0.23 0.00 0.00 176.35 176.03 3iji s LYS 198 N -2.04 2.92 -0.05 1.70 2.20 -0.01 -0.41 119.74 124.05 3iji s LYS 198 Ca 0.19 -0.45 0.01 0.00 -0.36 0.00 0.00 55.97 55.35 3iji s LYS 198 Cb -0.11 -2.74 0.02 0.00 -1.51 0.00 0.00 37.83 33.49 3iji s LYS 198 CO 0.10 0.69 -0.05 0.08 -0.36 0.00 0.00 175.35 175.82 3iji s VAL 199 N -0.89 0.60 -0.59 4.02 1.01 -0.67 -1.70 120.40 122.18 3iji s VAL 199 Ca 0.14 -0.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 3iji s VAL 199 Cb -0.11 -0.63 0.08 0.00 0.00 0.00 0.00 36.38 35.72 3iji s VAL 199 CO 0.03 0.25 0.75 -0.54 0.00 0.00 0.00 175.10 175.59 3iji s LYS 200 N 1.11 3.08 0.00 2.72 1.02 -1.26 -1.78 119.74 124.63 3iji s LYS 200 Ca -0.08 -1.09 0.00 0.00 0.02 0.00 0.00 55.97 54.82 3iji s LYS 200 Cb -0.14 -4.21 0.00 0.00 -0.52 0.00 0.00 37.83 32.96 3iji s LYS 200 CO -0.01 -1.53 0.00 1.28 -0.92 0.00 0.00 175.35 174.17 3iji n LEU 201 N 6.61 0.00 0.00 3.17 4.77 -0.44 -4.76 117.00 126.36 3iji n LEU 201 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3iji n LEU 201 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3iji n LEU 201 CO 0.59 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3iji n GLY 202 N 5.00 0.75 0.00 -0.72 0.00 -1.26 -4.45 105.19 104.51 3iji n GLY 202 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3iji n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iji n ARG 203 N -2.42 3.00 -0.14 1.61 3.00 -1.26 -4.74 116.66 115.71 3iji n ARG 203 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.85 57.95 3iji n ARG 203 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 32.46 32.63 3iji n ARG 203 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3iji n ASP 204 N -0.28 3.20 -1.50 0.55 8.00 -1.26 -4.37 116.55 120.89 3iji n ASP 204 Ca 0.00 -1.94 0.03 0.00 0.71 0.00 0.00 54.79 53.60 3iji n ASP 204 Cb 0.00 -0.18 0.05 0.00 -0.02 0.00 0.00 41.12 40.97 3iji n ASP 204 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3iji n ASN 205 N 1.31 1.23 -0.01 -2.24 6.94 -1.26 -4.94 115.26 116.29 3iji n ASN 205 Ca 0.17 -2.31 -0.09 0.00 -0.02 0.00 0.00 54.58 52.32 3iji n ASN 205 Cb 0.56 -0.35 -0.03 0.00 -2.36 0.00 0.00 39.78 37.60 3iji n ASN 205 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3iji h ASP 206 N 1.17 -0.83 -0.56 0.53 3.32 -1.98 -0.34 116.42 117.73 3iji h ASP 206 Ca -0.18 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3iji h ASP 206 Cb 1.70 0.37 -0.03 0.00 0.22 0.00 0.00 39.33 41.60 3iji h ASP 206 CO 0.10 -0.31 0.29 0.11 -1.72 0.00 0.00 179.24 177.72 3iji h LYS 207 N -0.32 0.78 -0.84 3.56 1.57 -1.95 -1.69 116.57 117.68 3iji h LYS 207 Ca 0.11 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3iji h LYS 207 Cb 0.49 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 3iji h LYS 207 CO -0.35 0.62 0.49 1.49 -0.57 0.00 0.00 179.45 181.14 3iji h GLU 208 N 0.75 1.16 0.09 3.15 4.81 -1.89 -0.94 114.58 121.71 3iji h GLU 208 Ca 0.19 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3iji h GLU 208 Cb 0.07 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 3iji h GLU 208 CO -0.03 0.83 -0.10 1.98 -0.73 0.00 0.00 179.01 180.95 3iji h MET 209 N 1.17 -0.22 -0.83 1.92 4.05 -0.63 0.95 114.93 121.34 3iji h MET 209 Ca 0.30 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.72 3iji h MET 209 Cb -0.02 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.79 3iji h MET 209 CO -0.05 -0.14 0.45 0.82 0.23 0.00 0.00 176.91 178.21 3iji h ILE 210 N -0.22 1.25 -0.66 1.77 1.08 -1.08 -1.54 117.51 118.10 3iji h ILE 210 Ca 0.01 -0.62 -0.07 0.00 -0.39 0.00 0.00 64.86 63.79 3iji h ILE 210 Cb 0.22 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 34.09 3iji h ILE 210 CO -0.04 0.28 0.13 -0.33 -0.69 0.00 0.00 178.15 177.50 3iji h GLU 211 N 1.15 1.07 -0.11 2.37 5.08 -0.86 0.60 114.58 123.89 3iji h GLU 211 Ca 0.29 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3iji h GLU 211 Cb 0.04 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3iji h GLU 211 CO -0.05 0.97 0.06 1.15 -1.00 0.00 0.00 179.01 180.15 3iji h THR 212 N 0.99 1.09 -0.19 1.13 2.02 -0.45 -1.97 112.91 115.54 3iji h THR 212 Ca 0.20 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 3iji h THR 212 Cb 0.40 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3iji h THR 212 CO 0.01 0.08 0.05 0.40 0.37 0.00 0.00 175.52 176.43 3iji h ILE 213 N 0.07 1.20 0.00 3.11 2.04 -1.17 -2.79 117.51 119.97 3iji h ILE 213 Ca 0.04 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3iji h ILE 213 Cb 0.08 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3iji h ILE 213 CO -0.01 0.20 0.00 -0.09 0.00 0.00 0.00 178.15 178.25 3iji h ARG 214 N 0.13 0.00 0.00 2.37 9.65 -0.78 -1.67 114.38 124.08 3iji h ARG 214 Ca 0.06 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 3iji h ARG 214 Cb 0.25 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 3iji h ARG 214 CO -0.00 0.00 0.00 -1.13 2.80 0.00 0.00 179.97 181.64 3iji n SER 215 N -2.72 0.00 0.00 -3.80 3.41 -0.75 -3.69 113.62 106.08 3iji n SER 215 Ca -0.01 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 3iji n SER 215 Cb 0.11 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 3iji n SER 215 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3iji n VAL 216 N -1.47 0.00 -3.71 -3.33 0.24 -0.66 -5.08 118.33 104.32 3iji n VAL 216 Ca 0.08 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.34 61.88 3iji n VAL 216 Cb 0.31 1.11 -0.08 0.00 -1.47 0.00 0.00 33.84 33.71 3iji n VAL 216 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3iji s THR 217 N -0.43 0.05 -1.01 3.34 -1.32 -0.98 -4.91 115.64 110.38 3iji s THR 217 Ca 0.00 -0.38 0.13 0.00 -1.21 0.00 0.00 61.69 60.23 3iji s THR 217 Cb 0.00 -0.69 0.40 0.00 -1.51 0.00 0.00 72.50 70.70 3iji s THR 217 CO 0.00 -0.21 1.33 -0.90 -2.21 0.00 0.00 174.62 172.63 3iji n ASP 218 N 1.20 3.27 -4.76 8.08 5.75 -1.26 -4.40 116.55 124.41 3iji n ASP 218 Ca -0.21 -2.13 -0.38 0.00 -0.01 0.00 0.00 54.79 52.06 3iji n ASP 218 Cb 0.56 -0.32 0.01 0.00 -1.03 0.00 0.00 41.12 40.34 3iji n ASP 218 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3iji s LEU 219 N -1.23 4.02 0.65 -2.12 1.43 -1.26 -4.98 118.68 115.19 3iji s LEU 219 Ca 0.30 2.53 -0.17 0.00 -1.03 0.00 0.00 54.13 55.77 3iji s LEU 219 Cb 0.17 -4.16 -0.01 0.00 0.03 0.00 0.00 46.19 42.22 3iji s LEU 219 CO 0.18 -1.10 1.18 -2.16 0.23 0.00 0.00 176.35 174.69 3iji s PRO 220 N -2.64 2.70 -0.01 1.29 0.04 -1.26 -4.83 135.00 130.30 3iji s PRO 220 Ca 0.64 1.70 0.06 0.00 0.04 0.00 0.00 61.00 63.44 3iji s PRO 220 Cb -0.35 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 3iji s PRO 220 CO 0.42 -1.39 -0.19 0.42 0.04 0.00 0.00 177.00 176.30 3iji s ILE 221 N -1.88 1.52 -0.14 0.56 1.01 -1.12 -1.81 121.20 119.34 3iji s ILE 221 Ca 0.74 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 60.51 3iji s ILE 221 Cb -0.28 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 3iji s ILE 221 CO 0.38 0.40 -0.08 0.00 0.00 0.00 0.00 174.94 175.65 3iji s ALA 222 N -0.49 2.84 -0.01 9.38 0.00 0.45 -0.73 121.76 133.21 3iji s ALA 222 Ca 0.07 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.22 3iji s ALA 222 Cb -0.08 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 3iji s ALA 222 CO -0.00 0.25 -0.11 0.14 0.00 0.00 0.00 175.76 176.04 3iji s VAL 223 N 0.30 3.34 -0.27 0.00 -7.23 -0.81 -1.67 120.40 114.07 3iji s VAL 223 Ca -0.06 -0.82 0.02 0.00 -1.81 0.00 0.00 61.98 59.31 3iji s VAL 223 Cb -0.15 -2.41 0.07 0.00 0.56 0.00 0.00 36.38 34.45 3iji s VAL 223 CO 0.04 0.44 -0.06 -0.62 -0.31 0.00 0.00 175.10 174.59 3iji s ASP 224 N -1.22 4.33 0.27 4.85 -1.08 -0.73 -0.79 116.67 122.31 3iji s ASP 224 Ca 0.15 -1.47 0.26 0.00 -0.52 0.00 0.00 52.55 50.96 3iji s ASP 224 Cb -0.11 -1.44 0.85 0.00 -1.46 0.00 0.00 42.92 40.76 3iji s ASP 224 CO 0.05 -0.24 1.75 0.00 0.52 0.00 0.00 175.17 177.25 3iji h ALA 225 N 7.80 1.00 -6.34 3.66 0.00 -1.42 -1.16 119.26 122.80 3iji h ALA 225 Ca -0.16 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.28 3iji h ALA 225 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3iji h ALA 225 CO 0.46 0.00 -0.87 0.09 0.00 0.00 0.00 179.25 178.93 3iji n ASN 226 N -2.41 -0.75 -1.23 0.00 3.02 -1.17 -0.59 115.26 112.15 3iji n ASN 226 Ca 0.04 -0.94 -0.15 0.00 -0.03 0.00 0.00 54.58 53.50 3iji n ASN 226 Cb 0.37 -3.43 -0.06 0.00 -0.61 0.00 0.00 39.78 36.05 3iji n ASN 226 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iji n GLN 227 N -4.34 -1.52 0.23 3.52 6.02 -0.01 -4.86 117.38 116.41 3iji n GLN 227 Ca -0.30 0.96 0.09 0.00 -0.01 0.00 0.00 57.00 57.73 3iji n GLN 227 Cb 0.68 -5.28 0.55 0.00 1.02 0.00 0.00 30.24 27.21 3iji n GLN 227 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3iji h GLY 228 N 0.00 0.00 -7.45 1.08 0.00 -0.92 -3.30 103.07 92.48 3iji h GLY 228 Ca -0.30 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.36 3iji h GLY 228 CO 0.44 0.00 -0.29 -0.98 0.00 0.00 0.00 176.54 175.71 3iji s TRP 229 N -4.08 3.21 -0.18 5.60 0.51 -0.75 -4.92 118.94 118.33 3iji s TRP 229 Ca -0.02 -0.07 0.19 0.00 -2.12 0.00 0.00 56.10 54.07 3iji s TRP 229 Cb 0.13 -2.68 -0.05 0.00 -0.81 0.00 0.00 33.47 30.06 3iji s TRP 229 CO 0.64 -0.46 0.98 0.87 -0.51 0.00 0.00 176.95 178.48 3iji h LYS 230 N 8.49 0.00 -4.94 4.98 6.56 -1.84 -3.36 116.57 126.45 3iji h LYS 230 Ca -0.29 0.00 -0.64 0.00 -1.06 0.00 0.00 60.65 58.65 3iji h LYS 230 Cb 1.14 0.00 -0.17 0.00 -0.57 0.00 0.00 32.23 32.63 3iji h LYS 230 CO 0.70 0.19 -0.43 0.34 -2.06 0.00 0.00 179.45 178.19 3iji s ASP 231 N -5.70 6.09 0.36 0.86 2.15 -1.26 -4.97 116.67 114.20 3iji s ASP 231 Ca -0.01 -0.00 0.05 0.00 0.43 0.00 0.00 52.55 53.02 3iji s ASP 231 Cb 0.09 -2.15 0.72 0.00 -0.30 0.00 0.00 42.92 41.28 3iji s ASP 231 CO 0.79 -0.13 1.95 0.08 -0.17 0.00 0.00 175.17 177.70 3iji h ARG 232 N 8.34 0.76 -0.32 4.34 0.11 -1.91 0.13 114.38 125.83 3iji h ARG 232 Ca -0.33 -0.05 -0.07 0.00 0.10 0.00 0.00 59.98 59.64 3iji h ARG 232 Cb 1.18 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 32.08 3iji h ARG 232 CO 0.59 0.50 -0.06 0.37 0.10 0.00 0.00 179.97 181.47 3iji h GLN 233 N 0.78 0.60 -0.67 0.08 -0.00 -1.96 -0.64 115.11 113.29 3iji h GLN 233 Ca 0.32 -0.22 -0.05 0.00 -0.00 0.00 0.00 58.65 58.69 3iji h GLN 233 Cb 0.26 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 27.67 3iji h GLN 233 CO -0.11 0.77 0.21 -0.92 0.00 0.00 0.00 178.83 178.78 3iji h TYR 234 N 0.38 1.09 -0.36 3.99 3.20 -1.77 -1.08 116.97 122.42 3iji h TYR 234 Ca 0.08 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 3iji h TYR 234 Cb 0.54 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3iji h TYR 234 CO 0.05 0.88 0.18 0.00 -1.64 0.00 0.00 178.16 177.63 3iji h ALA 235 N 1.09 0.47 -0.44 1.82 0.00 -0.63 -0.68 119.26 120.88 3iji h ALA 235 Ca 0.22 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3iji h ALA 235 Cb 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3iji h ALA 235 CO -0.01 0.02 0.14 1.25 0.00 0.00 0.00 179.25 180.65 3iji h LEU 236 N 0.45 0.65 -1.00 0.00 5.85 -0.88 -1.31 115.31 119.07 3iji h LEU 236 Ca 0.13 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 3iji h LEU 236 Cb 0.10 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3iji h LEU 236 CO -0.02 0.69 0.09 0.44 -0.34 0.00 0.00 178.44 179.30 3iji h ASP 237 N 0.58 0.77 -0.58 1.25 3.32 -1.07 -2.26 116.42 118.43 3iji h ASP 237 Ca 0.14 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 3iji h ASP 237 Cb 0.27 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3iji h ASP 237 CO -0.00 0.78 0.08 -0.03 -1.72 0.00 0.00 179.24 178.34 3iji h MET 238 N 0.78 0.97 -0.82 3.56 4.05 -0.83 -1.32 114.93 121.32 3iji h MET 238 Ca 0.17 -0.27 -0.02 0.00 -0.28 0.00 0.00 59.70 59.29 3iji h MET 238 Cb 0.34 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.99 3iji h MET 238 CO 0.00 0.93 0.43 0.82 0.23 0.00 0.00 176.91 179.33 3iji h ILE 239 N 0.87 1.25 -0.66 1.77 2.04 -0.90 0.13 117.51 122.01 3iji h ILE 239 Ca 0.17 -0.65 -0.08 0.00 1.00 0.00 0.00 64.86 65.31 3iji h ILE 239 Cb 0.44 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 3iji h ILE 239 CO 0.01 0.28 0.10 0.45 0.00 0.00 0.00 178.15 179.00 3iji h HIS 240 N 1.15 1.17 -0.37 1.37 3.86 -1.15 -0.63 115.15 120.55 3iji h HIS 240 Ca 0.29 -0.17 -0.06 0.00 -1.16 0.00 0.00 60.37 59.27 3iji h HIS 240 Cb 0.06 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 3iji h HIS 240 CO 0.01 0.99 0.00 2.35 0.86 0.00 0.00 177.93 182.14 3iji h TRP 241 N 1.02 0.71 -0.58 2.45 7.01 -0.68 -2.79 115.95 123.09 3iji h TRP 241 Ca 0.20 -0.12 -0.07 0.00 2.11 0.00 0.00 58.89 61.01 3iji h TRP 241 Cb 0.45 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.30 3iji h TRP 241 CO 0.03 0.74 0.10 -0.07 -2.79 0.00 0.00 178.44 176.46 3iji h LEU 242 N 0.47 0.89 -0.60 0.65 3.38 -0.61 -2.62 115.31 116.87 3iji h LEU 242 Ca 0.11 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.93 3iji h LEU 242 Cb 0.46 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 3iji h LEU 242 CO 0.02 0.89 0.34 0.50 0.09 0.00 0.00 178.44 180.27 3iji h LYS 243 N 0.89 0.62 0.00 1.13 1.63 -0.96 0.84 116.57 120.72 3iji h LYS 243 Ca 0.18 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 3iji h LYS 243 Cb 0.38 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.87 3iji h LYS 243 CO 0.01 0.41 -0.06 1.49 -3.45 0.00 0.00 179.45 177.85 3iji h GLU 244 N 0.64 0.00 -0.37 1.90 4.81 -1.22 -1.93 114.58 118.40 3iji h GLU 244 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3iji h GLU 244 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3iji h GLU 244 CO -0.15 0.06 0.00 1.63 -0.73 0.00 0.00 179.01 179.82 3iji n LYS 245 N -3.29 1.94 -0.64 1.92 4.76 0.19 -4.92 118.16 118.12 3iji n LYS 245 Ca -0.01 -1.45 0.00 0.00 -2.87 0.00 0.00 58.31 53.98 3iji n LYS 245 Cb 0.25 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 3iji n LYS 245 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3iji n GLY 246 N 1.17 0.64 3.74 0.72 0.00 -0.73 -4.93 105.19 105.80 3iji n GLY 246 Ca 0.14 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 3iji n GLY 246 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iji s ILE 247 N -2.00 4.23 -0.93 -0.61 1.09 -0.59 -2.81 121.20 119.57 3iji s ILE 247 Ca 0.00 2.06 0.11 0.00 -1.10 0.00 0.00 60.65 61.72 3iji s ILE 247 Cb 0.00 -4.31 -0.03 0.00 -1.06 0.00 0.00 42.46 37.06 3iji s ILE 247 CO 0.00 0.42 0.64 1.33 -0.10 0.00 0.00 174.94 177.22 3iji n VAL 248 N 2.03 0.00 -3.57 2.92 0.24 0.10 -4.43 118.33 115.63 3iji n VAL 248 Ca -0.00 -0.36 -0.16 0.00 -2.04 0.00 0.00 64.34 61.78 3iji n VAL 248 Cb 0.48 1.11 -0.06 0.00 -1.47 0.00 0.00 33.84 33.89 3iji n VAL 248 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 3iji s MET 249 N -1.58 0.94 -0.09 7.34 -2.45 -1.25 -4.43 119.30 117.77 3iji s MET 249 Ca 0.08 0.55 0.04 0.00 -1.25 0.00 0.00 55.69 55.11 3iji s MET 249 Cb 0.09 0.45 -0.00 0.00 1.25 0.00 0.00 34.83 36.62 3iji s MET 249 CO 0.32 -0.23 -0.24 0.42 1.05 0.00 0.00 175.02 176.34 3iji s ILE 250 N -0.55 2.02 -0.09 10.11 -1.09 -0.51 -1.92 121.20 129.17 3iji s ILE 250 Ca -0.06 -1.01 0.03 0.00 -2.23 0.00 0.00 60.65 57.38 3iji s ILE 250 Cb -0.02 -1.74 -0.01 0.00 -1.58 0.00 0.00 42.46 39.11 3iji s ILE 250 CO 0.06 0.55 -0.20 -0.70 -1.23 0.00 0.00 174.94 173.42 3iji s GLU 251 N 0.23 2.98 -0.77 2.79 2.12 0.03 -0.31 118.70 125.78 3iji s GLU 251 Ca -0.15 -0.81 -0.12 0.00 0.36 0.00 0.00 54.97 54.25 3iji s GLU 251 Cb -0.17 -2.38 0.02 0.00 0.26 0.00 0.00 34.13 31.86 3iji s GLU 251 CO 0.08 0.28 0.49 0.94 -0.54 0.00 0.00 175.26 176.51 3iji n GLN 252 N 3.26 -0.86 -0.27 4.30 -0.06 0.74 -1.50 117.38 123.00 3iji n GLN 252 Ca -0.18 0.30 -0.00 0.00 -2.00 0.00 0.00 57.00 55.12 3iji n GLN 252 Cb 0.53 -1.70 0.20 0.00 -4.06 0.00 0.00 30.24 25.21 3iji n GLN 252 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3iji h PRO 253 N -0.59 1.10 -5.37 3.69 0.13 -1.88 0.03 132.00 129.10 3iji h PRO 253 Ca -0.53 -0.07 -0.48 0.00 -0.87 0.00 0.00 66.00 64.06 3iji h PRO 253 Cb 1.09 -0.25 -0.14 0.00 0.13 0.00 0.00 31.00 31.84 3iji h PRO 253 CO 0.34 0.73 -0.65 -1.64 -0.23 0.00 0.00 178.00 176.55 3iji s MET 254 N -5.94 1.58 0.58 0.86 -1.94 -1.26 -1.82 119.30 111.37 3iji s MET 254 Ca -0.12 -1.84 -0.20 0.00 -1.71 0.00 0.00 55.69 51.83 3iji s MET 254 Cb 0.18 -1.02 -0.05 0.00 2.01 0.00 0.00 34.83 35.95 3iji s MET 254 CO 0.79 -0.06 1.08 -2.30 -0.01 0.00 0.00 175.02 174.53 3iji n PRO 255 N -0.62 1.11 0.28 2.03 -0.02 -1.24 -4.35 135.00 132.19 3iji n PRO 255 Ca -0.04 0.42 0.15 0.00 -2.02 0.00 0.00 63.50 62.01 3iji n PRO 255 Cb 0.65 -2.28 0.81 0.00 -0.02 0.00 0.00 33.50 32.66 3iji n PRO 255 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3iji h LYS 256 N 0.77 0.00 0.00 -0.52 2.10 -1.94 -1.89 116.57 115.09 3iji h LYS 256 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 3iji h LYS 256 Cb 1.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 3iji h LYS 256 CO 0.53 0.08 0.00 0.93 -2.00 0.00 0.00 179.45 178.99 3iji h GLU 257 N 0.00 0.00 -2.13 0.07 3.07 -1.98 -3.23 114.58 110.37 3iji h GLU 257 Ca -0.00 0.00 -0.73 0.00 -0.50 0.00 0.00 59.36 58.13 3iji h GLU 257 Cb 0.28 0.00 -0.32 0.00 -0.84 0.00 0.00 28.75 27.87 3iji h GLU 257 CO 0.01 0.00 0.49 1.04 -1.40 0.00 0.00 179.01 179.15 3iji n GLN 258 N -3.03 4.19 0.18 2.33 6.02 -0.71 -4.77 117.38 121.58 3iji n GLN 258 Ca 0.00 -4.46 0.04 0.00 -0.01 0.00 0.00 57.00 52.58 3iji n GLN 258 Cb 0.27 -2.35 0.47 0.00 1.02 0.00 0.00 30.24 29.65 3iji n GLN 258 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3iji h LEU 259 N 3.51 0.11 -0.37 1.08 5.85 -1.75 -2.07 115.31 121.68 3iji h LEU 259 Ca 0.43 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 59.08 3iji h LEU 259 Cb 0.36 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3iji h LEU 259 CO 1.12 0.25 0.03 0.44 -0.34 0.00 0.00 178.44 179.94 3iji h ASP 260 N 0.12 0.60 -0.20 1.25 3.32 -1.92 -1.51 116.42 118.07 3iji h ASP 260 Ca 0.02 -0.28 -0.10 0.00 0.02 0.00 0.00 57.03 56.69 3iji h ASP 260 Cb 0.28 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3iji h ASP 260 CO 0.02 0.73 -0.21 0.44 -1.72 0.00 0.00 179.24 178.50 3iji h ASP 261 N 0.45 0.66 -0.32 6.45 3.32 -1.88 -2.37 116.42 122.73 3iji h ASP 261 Ca 0.11 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3iji h ASP 261 Cb 0.40 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3iji h ASP 261 CO 0.01 0.86 0.15 0.40 -1.72 0.00 0.00 179.24 178.95 3iji h ILE 262 N 0.58 1.16 -0.72 0.35 2.04 -1.16 -1.59 117.51 118.17 3iji h ILE 262 Ca 0.09 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 3iji h ILE 262 Cb 0.67 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 3iji h ILE 262 CO 0.05 0.16 0.44 0.00 0.00 0.00 0.00 178.15 178.80 3iji h ALA 263 N 1.01 1.43 -0.58 1.87 0.00 -1.14 0.45 119.26 122.30 3iji h ALA 263 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3iji h ALA 263 Cb 0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3iji h ALA 263 CO -0.01 0.50 0.33 2.35 0.00 0.00 0.00 179.25 182.42 3iji h TRP 264 N 0.98 0.78 -0.04 0.00 7.01 -0.89 -1.21 115.95 122.58 3iji h TRP 264 Ca 0.26 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.22 3iji h TRP 264 Cb -0.06 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 26.75 3iji h TRP 264 CO 0.00 0.56 -0.07 0.28 -2.79 0.00 0.00 178.44 176.42 3iji h VAL 265 N 0.78 1.42 -0.80 2.65 2.07 -0.67 -3.28 116.25 118.43 3iji h VAL 265 Ca 0.21 -1.36 0.06 0.00 0.82 0.00 0.00 66.70 66.42 3iji h VAL 265 Cb 0.02 2.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.97 3iji h VAL 265 CO -0.04 0.37 0.48 0.74 0.02 0.00 0.00 177.57 179.15 3iji h THR 266 N -0.39 1.01 -0.12 2.57 2.02 -0.86 -0.62 112.91 116.53 3iji h THR 266 Ca 0.00 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 66.92 3iji h THR 266 Cb 0.64 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3iji h THR 266 CO 0.02 0.16 0.15 1.56 0.37 0.00 0.00 175.52 177.77 3iji h GLN 267 N 0.87 0.00 0.00 6.66 4.20 -1.28 -2.19 115.11 123.38 3iji h GLN 267 Ca 0.35 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.05 3iji h GLN 267 Cb 0.18 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 3iji h GLN 267 CO -0.18 0.00 -0.21 0.00 -0.67 0.00 0.00 178.83 177.77 3iji n GLN 268 N -3.73 1.09 -3.23 1.46 10.64 -0.70 -5.05 117.38 117.87 3iji n GLN 268 Ca -0.00 -2.45 -0.39 0.00 -1.83 0.00 0.00 57.00 52.33 3iji n GLN 268 Cb 0.25 -1.31 -0.06 0.00 -0.86 0.00 0.00 30.24 28.27 3iji n GLN 268 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 3iji s SER 269 N -2.63 7.01 0.00 2.61 0.15 -0.32 -4.96 113.70 115.56 3iji s SER 269 Ca 0.28 1.20 0.29 0.00 0.70 0.00 0.00 55.95 58.42 3iji s SER 269 Cb 0.26 -2.36 1.34 0.00 -1.71 0.00 0.00 66.02 63.55 3iji s SER 269 CO -0.00 0.16 1.97 -0.81 1.20 0.00 0.00 173.24 175.76 3iji n PRO 270 N 2.39 0.22 -4.34 5.44 -0.04 -1.26 -4.82 135.00 132.58 3iji n PRO 270 Ca -0.08 -0.01 -0.23 0.00 -0.04 0.00 0.00 63.50 63.14 3iji n PRO 270 Cb 0.51 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 3iji n PRO 270 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3iji s LEU 271 N -2.78 2.42 0.28 1.53 1.43 -1.26 -5.12 118.68 115.18 3iji s LEU 271 Ca 0.21 -0.84 -0.29 0.00 -1.03 0.00 0.00 54.13 52.18 3iji s LEU 271 Cb 0.20 -0.90 -0.10 0.00 0.03 0.00 0.00 46.19 45.42 3iji s LEU 271 CO 0.50 0.01 1.32 -2.16 0.23 0.00 0.00 176.35 176.25 3iji s PRO 272 N -2.64 4.37 -0.20 1.29 0.04 -1.26 -4.84 135.00 131.76 3iji s PRO 272 Ca 0.15 2.17 -0.03 0.00 0.04 0.00 0.00 61.00 63.34 3iji s PRO 272 Cb -0.07 -3.11 -0.00 0.00 0.04 0.00 0.00 34.50 31.36 3iji s PRO 272 CO 0.07 -0.22 -0.08 0.08 0.04 0.00 0.00 177.00 176.89 3iji s VAL 273 N -0.67 3.12 -0.06 -0.36 1.01 -1.26 -1.42 120.40 120.76 3iji s VAL 273 Ca 0.52 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 3iji s VAL 273 Cb -0.39 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 3iji s VAL 273 CO 0.47 0.46 0.04 -0.36 0.00 0.00 0.00 175.10 175.71 3iji s PHE 274 N 1.28 3.25 -0.02 5.22 0.08 0.58 -0.24 117.98 128.14 3iji s PHE 274 Ca 0.03 0.24 -0.15 0.00 0.12 0.00 0.00 56.93 57.17 3iji s PHE 274 Cb -0.14 -1.79 -0.05 0.00 -0.57 0.00 0.00 43.02 40.47 3iji s PHE 274 CO -0.04 0.53 0.42 0.00 -0.10 0.00 0.00 175.22 176.03 3iji s ALA 275 N -1.00 3.66 0.00 5.36 0.00 -0.17 -0.19 121.76 129.43 3iji s ALA 275 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.91 3iji s ALA 275 Cb -0.12 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.57 3iji s ALA 275 CO 0.06 0.40 0.00 -3.47 0.00 0.00 0.00 175.76 172.75 3iji n ASP 276 N 2.12 0.00 0.33 0.00 -0.08 -1.26 -0.20 116.55 117.46 3iji n ASP 276 Ca -0.13 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.36 3iji n ASP 276 Cb 0.52 0.00 1.15 0.00 2.34 0.00 0.00 41.12 45.13 3iji n ASP 276 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3iji h GLU 277 N 0.00 0.00 0.00 -0.67 3.07 -1.95 -1.85 114.58 113.18 3iji h GLU 277 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3iji h GLU 277 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3iji h GLU 277 CO 0.00 0.00 0.00 0.43 -1.40 0.00 0.00 179.01 178.04 3iji n SER 278 N -3.24 0.00 -3.65 1.42 7.64 -1.26 -4.79 113.62 109.74 3iji n SER 278 Ca -0.03 -0.18 -0.12 0.00 1.01 0.00 0.00 58.87 59.55 3iji n SER 278 Cb 0.08 -0.18 -0.06 0.00 -1.01 0.00 0.00 64.21 63.04 3iji n SER 278 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3iji s LEU 279 N -2.37 0.35 0.06 -3.43 2.34 -0.70 -5.00 118.68 109.94 3iji s LEU 279 Ca 0.20 -0.03 0.00 0.00 0.06 0.00 0.00 54.13 54.36 3iji s LEU 279 Cb 0.12 1.80 0.00 0.00 -0.56 0.00 0.00 46.19 47.55 3iji s LEU 279 CO 0.24 -0.70 0.00 0.00 -1.06 0.00 0.00 176.35 174.83 3iji n GLN 280 N 0.37 0.00 -4.03 1.48 1.13 -1.26 -4.86 117.38 110.21 3iji n GLN 280 Ca -0.18 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.65 3iji n GLN 280 Cb 0.60 -0.38 -0.06 0.00 0.11 0.00 0.00 30.24 30.52 3iji n GLN 280 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3iji n ARG 281 N -3.14 0.80 -0.26 -1.09 1.74 -1.26 -3.53 116.66 109.91 3iji n ARG 281 Ca 0.00 -2.87 0.06 0.00 -0.77 0.00 0.00 57.85 54.27 3iji n ARG 281 Cb 0.22 1.22 0.19 0.00 -1.02 0.00 0.00 32.46 33.07 3iji n ARG 281 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3iji h LEU 282 N 0.00 0.30 0.00 0.55 5.85 -1.88 -0.89 115.31 119.24 3iji h LEU 282 Ca -0.29 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3iji h LEU 282 Cb 1.00 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3iji h LEU 282 CO 0.47 0.11 0.00 0.61 -0.34 0.00 0.00 178.44 179.29 3iji n GLY 283 N -1.33 -0.50 0.04 3.75 0.00 -1.26 -2.44 105.19 103.46 3iji n GLY 283 Ca 0.15 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.17 3iji n GLY 283 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iji n ASP 284 N -1.09 0.80 0.20 1.61 8.00 -0.34 -4.73 116.55 121.00 3iji n ASP 284 Ca 0.08 -0.90 -0.13 0.00 0.71 0.00 0.00 54.79 54.55 3iji n ASP 284 Cb 0.06 0.93 -0.07 0.00 -0.02 0.00 0.00 41.12 42.02 3iji n ASP 284 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3iji h VAL 285 N 0.22 0.51 -0.95 2.53 2.07 -1.53 -3.33 116.25 115.76 3iji h VAL 285 Ca 0.00 -0.55 0.24 0.00 0.82 0.00 0.00 66.70 67.20 3iji h VAL 285 Cb 0.37 0.73 -0.13 0.00 -1.52 0.00 0.00 31.29 30.75 3iji h VAL 285 CO 0.00 0.09 0.48 0.00 0.02 0.00 0.00 177.57 178.16 3iji h ALA 286 N -0.50 1.61 0.00 1.67 0.00 -1.85 -0.21 119.26 119.98 3iji h ALA 286 Ca -0.05 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3iji h ALA 286 Cb 0.55 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3iji h ALA 286 CO 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.01 3iji h ALA 287 N 1.73 1.00 -0.00 0.00 0.00 -1.89 -2.34 119.26 117.76 3iji h ALA 287 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.51 3iji h ALA 287 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3iji h ALA 287 CO -0.51 0.00 -0.47 1.28 0.00 0.00 0.00 179.25 179.55 3iji n LEU 288 N -2.44 0.88 -4.70 0.00 4.77 -0.09 -4.88 117.00 110.54 3iji n LEU 288 Ca -0.01 -0.22 -0.44 0.00 -0.03 0.00 0.00 56.01 55.31 3iji n LEU 288 Cb 0.08 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3iji n LEU 288 CO 0.14 0.19 1.23 1.17 -1.33 0.00 0.00 177.39 178.78 3iji n LYS 289 N -1.06 2.46 0.00 3.23 4.81 -0.88 -1.38 118.16 125.33 3iji n LYS 289 Ca 0.08 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 3iji n LYS 289 Cb 0.35 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.74 3iji n LYS 289 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3iji n GLY 290 N 3.06 2.65 0.08 3.14 0.00 -1.26 -4.77 105.19 108.09 3iji n GLY 290 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 3iji n GLY 290 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iji n ALA 291 N -0.86 1.62 -2.56 4.61 0.00 -0.48 -4.81 120.51 118.03 3iji n ALA 291 Ca 0.00 -1.07 -0.21 0.00 0.00 0.00 0.00 53.44 52.16 3iji n ALA 291 Cb 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.22 3iji n ALA 291 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3iji s PHE 292 N -2.42 1.58 0.14 0.00 0.08 -0.95 -3.95 117.98 112.46 3iji s PHE 292 Ca -0.08 -0.46 0.05 0.00 0.12 0.00 0.00 56.93 56.55 3iji s PHE 292 Cb 0.05 -0.85 -0.13 0.00 -0.57 0.00 0.00 43.02 41.52 3iji s PHE 292 CO 0.67 0.18 1.31 1.15 -0.10 0.00 0.00 175.22 178.43 3iji h THR 293 N 3.89 1.62 -2.95 0.64 2.02 -0.95 -3.45 112.91 113.72 3iji h THR 293 Ca -0.43 -3.11 0.00 0.00 0.77 0.00 0.00 66.41 63.64 3iji h THR 293 Cb 1.19 2.73 -0.00 0.00 -1.74 0.00 0.00 68.15 70.33 3iji h THR 293 CO 0.44 0.89 0.31 -0.83 0.37 0.00 0.00 175.52 176.70 3iji s GLY 294 N -4.64 0.34 0.17 2.16 0.00 -0.94 -0.81 107.32 103.59 3iji s GLY 294 Ca -0.01 -0.71 0.10 0.00 0.00 0.00 0.00 44.72 44.10 3iji s GLY 294 CO 0.83 -0.01 -0.21 -0.26 0.00 0.00 0.00 173.10 173.44 3iji s ILE 295 N -2.29 2.02 -0.18 0.90 -4.36 -0.34 -1.00 121.20 115.94 3iji s ILE 295 Ca 0.16 -1.93 -0.05 0.00 -0.26 0.00 0.00 60.65 58.57 3iji s ILE 295 Cb -0.05 -1.93 -0.03 0.00 1.25 0.00 0.00 42.46 41.71 3iji s ILE 295 CO 0.11 -0.22 -0.01 0.21 0.24 0.00 0.00 174.94 175.27 3iji s ASN 296 N -2.61 4.90 -0.12 4.36 3.84 0.72 -0.94 114.94 125.09 3iji s ASN 296 Ca 0.17 -0.14 -0.02 0.00 0.21 0.00 0.00 52.86 53.08 3iji s ASN 296 Cb -0.07 -1.82 -0.03 0.00 -0.55 0.00 0.00 41.25 38.78 3iji s ASN 296 CO 0.08 0.12 -0.05 -0.63 -2.79 0.00 0.00 177.10 173.83 3iji s ILE 297 N 0.65 3.83 -0.05 -5.21 1.01 -0.30 -4.80 121.20 116.34 3iji s ILE 297 Ca -0.01 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.25 3iji s ILE 297 Cb -0.14 -2.63 0.02 0.00 0.01 0.00 0.00 42.46 39.72 3iji s ILE 297 CO 0.02 0.54 -0.05 -0.54 0.00 0.00 0.00 174.94 174.91 3iji s LYS 298 N -0.10 0.88 0.28 2.79 1.02 -1.26 -1.00 119.74 122.34 3iji s LYS 298 Ca 0.02 -0.11 0.01 0.00 0.02 0.00 0.00 55.97 55.90 3iji s LYS 298 Cb -0.13 -0.90 0.55 0.00 -0.52 0.00 0.00 37.83 36.84 3iji s LYS 298 CO 0.03 -0.09 1.81 -0.07 -0.92 0.00 0.00 175.35 176.11 3iji h LEU 299 N 7.27 0.82 -1.00 3.17 3.38 -1.89 -1.04 115.31 126.01 3iji h LEU 299 Ca -0.36 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3iji h LEU 299 Cb 1.15 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3iji h LEU 299 CO 0.45 0.41 0.00 0.24 0.09 0.00 0.00 178.44 179.64 3iji h MET 300 N 0.88 0.00 0.00 1.13 2.86 -1.93 -2.48 114.93 115.40 3iji h MET 300 Ca 0.49 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.77 3iji h MET 300 Cb 0.55 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.15 3iji h MET 300 CO -0.29 0.00 -2.25 1.63 1.06 0.00 0.00 176.91 177.06 3iji n LYS 301 N -2.40 0.68 -0.12 1.72 5.02 -0.47 -2.70 118.16 119.89 3iji n LYS 301 Ca 0.01 0.08 0.11 0.00 -2.02 0.00 0.00 58.31 56.50 3iji n LYS 301 Cb 0.21 -1.58 0.17 0.00 -0.02 0.00 0.00 35.03 33.80 3iji n LYS 301 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iji n THR 303 N 1.37 0.00 0.00 0.00 -2.24 -0.98 -4.66 114.28 107.78 3iji n THR 303 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 3iji n THR 303 Cb 0.58 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 3iji n THR 303 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iji n GLY 304 N -2.92 0.20 0.30 3.38 0.00 -0.97 -3.54 105.19 101.64 3iji n GLY 304 Ca 0.00 -2.30 -0.06 0.00 0.00 0.00 0.00 46.02 43.66 3iji n GLY 304 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3iji h MET 305 N 8.24 1.04 -0.22 1.61 0.00 -1.88 -1.54 114.93 122.18 3iji h MET 305 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 59.70 59.52 3iji h MET 305 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 31.60 31.41 3iji h MET 305 CO 0.00 0.84 0.08 -0.09 0.00 0.00 0.00 176.91 177.74 3iji h ARG 306 N 1.00 0.33 -0.24 1.72 2.43 -1.92 -0.81 114.38 116.89 3iji h ARG 306 Ca 0.24 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.21 3iji h ARG 306 Cb 0.16 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3iji h ARG 306 CO -0.03 0.40 -0.42 1.49 -1.51 0.00 0.00 179.97 179.90 3iji h GLU 307 N 0.19 0.58 -0.53 0.20 4.81 -1.83 -2.74 114.58 115.26 3iji h GLU 307 Ca 0.07 -0.30 0.03 0.00 -0.13 0.00 0.00 59.36 59.03 3iji h GLU 307 Cb 0.20 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 3iji h GLU 307 CO -0.00 0.90 0.30 0.00 -0.73 0.00 0.00 179.01 179.47 3iji h ALA 308 N 1.06 0.68 -0.34 2.92 0.00 -1.02 -0.31 119.26 122.26 3iji h ALA 308 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3iji h ALA 308 Cb 0.93 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3iji h ALA 308 CO 0.08 -0.01 -0.07 2.35 0.00 0.00 0.00 179.25 181.61 3iji h TRP 309 N 0.59 0.60 -0.23 0.00 -0.00 -1.05 -1.62 115.95 114.24 3iji h TRP 309 Ca 0.22 -0.08 -0.10 0.00 -0.00 0.00 0.00 58.89 58.93 3iji h TRP 309 Cb 0.07 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 29.05 3iji h TRP 309 CO -0.08 0.62 -0.29 0.87 -0.00 0.00 0.00 178.44 179.57 3iji h LYS 310 N 0.53 0.45 -0.36 2.65 1.57 -1.05 -2.23 116.57 118.13 3iji h LYS 310 Ca 0.10 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 3iji h LYS 310 Cb 0.44 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3iji h LYS 310 CO 0.02 0.70 -0.18 0.52 -0.57 0.00 0.00 179.45 179.95 3iji h MET 311 N 0.40 0.68 -0.27 3.15 2.86 -0.21 -0.26 114.93 121.28 3iji h MET 311 Ca 0.05 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 3iji h MET 311 Cb 0.71 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 3iji h MET 311 CO 0.05 0.81 0.08 0.28 1.06 0.00 0.00 176.91 179.20 3iji h VAL 312 N 0.61 1.20 -0.26 -2.22 2.07 -1.04 -0.50 116.25 116.12 3iji h VAL 312 Ca 0.10 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.98 3iji h VAL 312 Cb 0.64 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3iji h VAL 312 CO 0.04 0.21 0.15 0.74 0.02 0.00 0.00 177.57 178.74 3iji h THR 313 N 0.26 1.03 -0.16 2.57 2.02 -1.11 -1.42 112.91 116.10 3iji h THR 313 Ca 0.09 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3iji h THR 313 Cb 0.25 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3iji h THR 313 CO -0.00 0.06 0.08 0.25 0.37 0.00 0.00 175.52 176.27 3iji h LEU 314 N 0.31 0.21 0.16 2.58 5.85 -0.93 0.58 115.31 124.07 3iji h LEU 314 Ca 0.10 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3iji h LEU 314 Cb -0.00 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3iji h LEU 314 CO -0.05 0.27 -0.12 0.00 -0.34 0.00 0.00 178.44 178.20 3iji h ALA 315 N 0.95 -0.26 -0.52 1.25 0.00 -0.97 -1.26 119.26 118.45 3iji h ALA 315 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3iji h ALA 315 Cb 0.11 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3iji h ALA 315 CO -0.01 -0.66 0.34 0.45 0.00 0.00 0.00 179.25 179.38 3iji h HIS 316 N -0.28 0.66 0.00 0.00 3.86 -1.21 0.23 115.15 118.41 3iji h HIS 316 Ca -0.01 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3iji h HIS 316 Cb 0.25 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 3iji h HIS 316 CO -0.10 0.42 -0.01 0.00 0.86 0.00 0.00 177.93 179.10 3iji h ALA 317 N 1.19 1.96 -0.44 2.45 0.00 -0.70 -0.53 119.26 123.19 3iji h ALA 317 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3iji h ALA 317 Cb -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3iji h ALA 317 CO -0.04 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.50 3iji n LEU 318 N -4.50 2.42 -0.30 0.00 4.77 -0.49 -4.92 117.00 113.98 3iji n LEU 318 Ca -0.03 -1.20 -0.04 0.00 -0.03 0.00 0.00 56.01 54.71 3iji n LEU 318 Cb 0.10 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 3iji n LEU 318 CO 0.34 0.60 -0.04 0.61 -1.33 0.00 0.00 177.39 177.57 3iji n GLY 319 N 1.23 0.68 3.86 -0.72 0.00 -0.21 -4.98 105.19 105.05 3iji n GLY 319 Ca 0.15 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 3iji n GLY 319 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iji s MET 320 N -2.18 3.14 0.56 1.61 -1.94 0.70 -4.99 119.30 116.22 3iji s MET 320 Ca 0.00 -0.70 -0.01 0.00 -1.71 0.00 0.00 55.69 53.27 3iji s MET 320 Cb 0.00 -2.81 0.03 0.00 2.01 0.00 0.00 34.83 34.06 3iji s MET 320 CO 0.00 0.52 0.81 1.03 -0.01 0.00 0.00 175.02 177.37 3iji s ARG 321 N -2.98 2.60 0.02 2.03 1.81 0.01 -3.48 118.95 118.96 3iji s ARG 321 Ca 0.32 -0.56 0.03 0.00 -1.72 0.00 0.00 55.73 53.80 3iji s ARG 321 Cb -0.11 -2.42 -0.02 0.00 -0.45 0.00 0.00 34.95 31.95 3iji s ARG 321 CO 0.25 -0.73 -0.09 0.08 -0.68 0.00 0.00 175.30 174.13 3iji s VAL 322 N -2.84 0.71 0.09 3.52 1.01 -1.26 -1.20 120.40 120.43 3iji s VAL 322 Ca 0.56 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.85 3iji s VAL 322 Cb -0.10 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 3iji s VAL 322 CO 0.40 -0.03 -0.07 0.00 0.00 0.00 0.00 175.10 175.40 3iji s MET 323 N -0.83 0.78 0.02 2.72 0.23 -0.12 -0.41 119.30 121.70 3iji s MET 323 Ca -0.01 -1.23 0.07 0.00 -1.03 0.00 0.00 55.69 53.49 3iji s MET 323 Cb -0.06 -0.24 -0.02 0.00 -1.53 0.00 0.00 34.83 32.98 3iji s MET 323 CO 0.00 -0.00 -0.20 0.54 -2.03 0.00 0.00 175.02 173.33 3iji s VAL 324 N -3.18 1.59 0.00 5.16 0.11 -0.74 -1.14 120.40 122.20 3iji s VAL 324 Ca 0.08 -1.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.08 3iji s VAL 324 Cb 0.02 -1.36 0.00 0.00 -1.53 0.00 0.00 36.38 33.51 3iji s VAL 324 CO -0.04 0.29 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 3iji n GLY 325 N 2.14 4.30 3.80 6.54 0.00 -0.17 -0.88 105.19 120.93 3iji n GLY 325 Ca -0.16 -1.92 -0.05 0.00 0.00 0.00 0.00 46.02 43.89 3iji n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iji s MET 327 N -3.46 2.30 0.01 0.00 -1.94 -1.26 -4.95 119.30 110.00 3iji s MET 327 Ca 0.12 -1.89 -0.30 0.00 -1.71 0.00 0.00 55.69 51.92 3iji s MET 327 Cb -0.03 -2.23 -0.07 0.00 2.01 0.00 0.00 34.83 34.51 3iji s MET 327 CO 0.05 -0.59 1.65 0.95 -0.01 0.00 0.00 175.02 177.07 3iji s THR 328 N -2.71 3.31 0.16 2.05 -4.23 -1.26 -4.46 115.64 108.49 3iji s THR 328 Ca 0.41 0.59 -0.10 0.00 -1.18 0.00 0.00 61.69 61.41 3iji s THR 328 Cb -0.03 -3.38 -0.00 0.00 1.34 0.00 0.00 72.50 70.43 3iji s THR 328 CO 0.25 -0.03 0.31 -1.61 -0.54 0.00 0.00 174.62 173.00 3iji s GLU 329 N 3.29 1.14 0.93 3.99 2.02 -1.22 -4.89 118.70 123.96 3iji s GLU 329 Ca 0.74 -1.09 -0.15 0.00 0.02 0.00 0.00 54.97 54.49 3iji s GLU 329 Cb -0.37 0.39 0.18 0.00 0.10 0.00 0.00 34.13 34.43 3iji s GLU 329 CO 0.31 -0.42 1.29 0.95 0.02 0.00 0.00 175.26 177.42 3iji s THR 330 N -3.93 2.00 -1.08 3.63 -4.23 -1.26 -2.43 115.64 108.34 3iji s THR 330 Ca 0.14 -0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.75 3iji s THR 330 Cb 0.03 -3.00 0.10 0.00 1.34 0.00 0.00 72.50 70.97 3iji s THR 330 CO -0.02 0.00 1.30 -1.20 -0.54 0.00 0.00 174.62 174.15 3iji n SER 331 N -3.68 0.00 0.23 3.99 7.64 -1.26 -2.83 113.62 117.71 3iji n SER 331 Ca 0.14 0.44 -0.09 0.00 1.01 0.00 0.00 58.87 60.36 3iji n SER 331 Cb 0.60 -0.46 -0.04 0.00 -1.01 0.00 0.00 64.21 63.29 3iji n SER 331 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iji h ALA 333 N -1.61 1.32 -0.44 0.00 0.00 -1.89 -1.62 119.26 115.02 3iji h ALA 333 Ca -0.06 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3iji h ALA 333 Cb 0.46 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3iji h ALA 333 CO 0.10 0.46 0.01 0.82 0.00 0.00 0.00 179.25 180.64 3iji h ILE 334 N 0.42 1.26 -0.32 0.00 1.08 -1.57 -2.11 117.51 116.27 3iji h ILE 334 Ca 0.08 -1.02 -0.12 0.00 -0.39 0.00 0.00 64.86 63.41 3iji h ILE 334 Cb 0.45 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 3iji h ILE 334 CO 0.02 0.35 -0.31 0.28 -0.69 0.00 0.00 178.15 177.81 3iji h SER 335 N 0.61 0.69 -0.20 1.72 0.02 -0.92 -1.43 113.55 114.05 3iji h SER 335 Ca 0.13 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 3iji h SER 335 Cb 0.47 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 3iji h SER 335 CO 0.02 0.95 0.10 0.00 -1.14 0.00 0.00 176.83 176.76 3iji h ALA 336 N 1.09 0.23 -0.22 3.77 0.00 -1.13 -2.29 119.26 120.72 3iji h ALA 336 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3iji h ALA 336 Cb 0.81 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3iji h ALA 336 CO 0.07 -0.32 -0.24 0.00 0.00 0.00 0.00 179.25 178.75 3iji h ALA 337 N 1.10 1.18 0.00 0.00 0.00 -1.25 -2.61 119.26 117.68 3iji h ALA 337 Ca 0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3iji h ALA 337 Cb 0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3iji h ALA 337 CO -0.05 0.53 -0.04 0.77 0.00 0.00 0.00 179.25 180.45 3iji h SER 338 N 0.36 0.00 -0.05 0.00 0.02 -0.71 -2.78 113.55 110.39 3iji h SER 338 Ca 0.06 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3iji h SER 338 Cb 0.63 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 3iji h SER 338 CO 0.04 0.04 0.05 1.56 -1.14 0.00 0.00 176.83 177.39 3iji h GLN 339 N 0.00 0.00 -0.32 3.45 1.08 -1.06 -1.40 115.11 116.87 3iji h GLN 339 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3iji h GLN 339 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3iji h GLN 339 CO 0.01 0.00 0.00 1.97 -0.95 0.00 0.00 178.83 179.86 3iji n PHE 340 N -3.91 0.42 0.30 2.96 1.16 -1.05 -3.70 117.46 113.64 3iji n PHE 340 Ca -0.02 -0.46 0.16 0.00 -1.87 0.00 0.00 57.45 55.26 3iji n PHE 340 Cb 0.15 -0.03 0.94 0.00 -1.61 0.00 0.00 39.48 38.93 3iji n PHE 340 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 3iji h SER 341 N 2.00 0.00 0.21 5.98 4.64 -1.30 -1.65 113.55 123.44 3iji h SER 341 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iji h SER 341 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3iji h SER 341 CO 0.00 0.02 0.00 -2.65 -0.87 0.00 0.00 176.83 173.33 3iji n PRO 342 N -3.68 0.07 0.00 4.77 -0.02 -1.26 -1.56 135.00 133.33 3iji n PRO 342 Ca -0.03 0.48 0.11 0.00 -2.02 0.00 0.00 63.50 62.05 3iji n PRO 342 Cb 0.11 -1.70 0.09 0.00 -0.02 0.00 0.00 33.50 31.97 3iji n PRO 342 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iji n ALA 343 N -1.63 3.46 -2.85 3.55 0.00 -0.62 -4.76 120.51 117.65 3iji n ALA 343 Ca 0.01 -0.59 -0.22 0.00 0.00 0.00 0.00 53.44 52.63 3iji n ALA 343 Cb 0.08 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 3iji n ALA 343 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3iji s VAL 344 N -2.48 5.20 -0.08 0.00 -7.23 -0.60 -4.81 120.40 110.39 3iji s VAL 344 Ca 0.20 -0.78 -0.00 0.00 -1.81 0.00 0.00 61.98 59.59 3iji s VAL 344 Cb 0.18 -3.86 -0.25 0.00 0.56 0.00 0.00 36.38 33.01 3iji s VAL 344 CO 0.56 -0.42 0.51 0.44 -0.31 0.00 0.00 175.10 175.89 3iji h ASP 345 N 1.02 0.28 -4.79 4.85 5.19 -1.05 -3.45 116.42 118.47 3iji h ASP 345 Ca -0.51 -0.61 -0.25 0.00 -0.62 0.00 0.00 57.03 55.04 3iji h ASP 345 Cb 1.23 -0.09 -0.21 0.00 0.18 0.00 0.00 39.33 40.44 3iji h ASP 345 CO 0.61 1.54 -0.72 -0.36 -3.12 0.00 0.00 179.24 177.19 3iji s PHE 346 N -2.58 0.63 -0.08 4.55 0.08 -1.23 -4.94 117.98 114.40 3iji s PHE 346 Ca -0.15 -0.55 -0.04 0.00 0.12 0.00 0.00 56.93 56.31 3iji s PHE 346 Cb 0.07 -0.38 0.04 0.00 -0.57 0.00 0.00 43.02 42.18 3iji s PHE 346 CO 0.80 -0.11 0.19 0.00 -0.10 0.00 0.00 175.22 176.00 3iji s ALA 347 N -1.63 -0.41 -0.69 5.36 0.00 -1.26 -1.79 121.76 121.35 3iji s ALA 347 Ca -0.09 0.79 0.04 0.00 0.00 0.00 0.00 51.96 52.70 3iji s ALA 347 Cb -0.08 -0.51 0.17 0.00 0.00 0.00 0.00 23.12 22.69 3iji s ALA 347 CO -0.00 -0.17 0.48 0.34 0.00 0.00 0.00 175.76 176.41 3iji s ASP 348 N 1.09 4.86 -0.57 0.00 2.15 -0.05 -1.47 116.67 122.69 3iji s ASP 348 Ca -0.08 -3.66 0.06 0.00 0.43 0.00 0.00 52.55 49.30 3iji s ASP 348 Cb -0.10 -1.67 0.33 0.00 -0.30 0.00 0.00 42.92 41.17 3iji s ASP 348 CO -0.06 -0.13 0.89 0.18 -0.17 0.00 0.00 175.17 175.88 3iji n LEU 349 N 2.26 3.98 -0.16 -1.34 4.77 -1.26 -3.15 117.00 122.10 3iji n LEU 349 Ca 0.17 -5.57 0.03 0.00 -0.03 0.00 0.00 56.01 50.60 3iji n LEU 349 Cb 0.35 -0.44 0.05 0.00 -2.33 0.00 0.00 43.42 41.05 3iji n LEU 349 CO 0.30 2.30 0.54 -0.90 -1.33 0.00 0.00 177.39 178.30 3iji n ASP 350 N -0.00 2.28 -0.33 -1.43 5.75 -1.26 -4.83 116.55 116.72 3iji n ASP 350 Ca 0.30 -2.17 0.16 0.00 -0.01 0.00 0.00 54.79 53.08 3iji n ASP 350 Cb 0.42 -0.11 0.36 0.00 -1.03 0.00 0.00 41.12 40.76 3iji n ASP 350 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3iji h GLY 351 N 0.43 1.80 2.00 6.12 0.00 -1.86 -1.11 103.07 110.46 3iji h GLY 351 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 3iji h GLY 351 CO 0.01 -0.25 -0.27 3.45 0.00 0.00 0.00 176.54 179.48 3iji h ASN 352 N 0.53 0.00 1.01 0.19 -1.07 -1.75 -2.76 115.58 111.73 3iji h ASN 352 Ca 0.62 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.99 3iji h ASN 352 Cb 1.18 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.43 3iji h ASN 352 CO -0.49 0.27 0.00 -0.07 0.07 0.00 0.00 177.43 177.21 3iji h LEU 353 N 0.00 0.00 -0.41 6.14 3.38 -1.49 -2.98 115.31 119.94 3iji h LEU 353 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iji h LEU 353 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3iji h LEU 353 CO 0.04 0.00 -0.32 0.18 0.09 0.00 0.00 178.44 178.42 3iji n LEU 354 N -2.39 0.97 -4.60 1.67 4.77 -1.04 -4.90 117.00 111.46 3iji n LEU 354 Ca 0.03 -0.24 -0.26 0.00 -0.03 0.00 0.00 56.01 55.52 3iji n LEU 354 Cb 0.30 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 3iji n LEU 354 CO 0.24 0.19 -0.38 0.27 -1.33 0.00 0.00 177.39 176.38 3iji s ILE 355 N -2.60 3.33 -1.89 -0.08 -4.36 -1.13 -1.03 121.20 113.44 3iji s ILE 355 Ca 0.21 -1.71 0.22 0.00 -0.26 0.00 0.00 60.65 59.11 3iji s ILE 355 Cb 0.19 -2.69 -0.04 0.00 1.25 0.00 0.00 42.46 41.17 3iji s ILE 355 CO 0.56 -0.19 1.05 -1.54 0.24 0.00 0.00 174.94 175.06 3iji n SER 356 N -0.26 1.89 -2.55 4.36 3.41 0.36 -4.58 113.62 116.25 3iji n SER 356 Ca -0.09 -1.45 -0.23 0.00 -0.26 0.00 0.00 58.87 56.85 3iji n SER 356 Cb 0.56 0.54 0.01 0.00 -0.26 0.00 0.00 64.21 65.06 3iji n SER 356 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3iji n ASN 357 N -0.20 3.86 -4.77 4.04 6.94 -1.26 -5.04 115.26 118.84 3iji n ASN 357 Ca 0.08 -3.47 -0.40 0.00 -0.02 0.00 0.00 54.58 50.78 3iji n ASN 357 Cb 0.45 -0.48 -0.00 0.00 -2.36 0.00 0.00 39.78 37.38 3iji n ASN 357 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3iji s ASP 358 N -3.42 6.28 0.00 0.53 -1.08 -1.26 -4.93 116.67 112.79 3iji s ASP 358 Ca 0.43 2.68 0.16 0.00 -0.52 0.00 0.00 52.55 55.30 3iji s ASP 358 Cb 0.41 -2.64 -0.09 0.00 -1.46 0.00 0.00 42.92 39.14 3iji s ASP 358 CO -0.13 -0.87 0.75 0.54 0.52 0.00 0.00 175.17 175.97 3iji n ARG 359 N 0.12 1.83 -4.24 4.34 1.74 -1.26 -5.01 116.66 114.18 3iji n ARG 359 Ca 0.04 -0.38 -0.15 0.00 -0.77 0.00 0.00 57.85 56.59 3iji n ARG 359 Cb 0.43 -1.25 -0.10 0.00 -1.02 0.00 0.00 32.46 30.52 3iji n ARG 359 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3iji s PHE 360 N -2.18 1.25 -0.26 -1.55 0.08 -1.26 -4.64 117.98 109.41 3iji s PHE 360 Ca 0.09 -0.72 -0.02 0.00 0.12 0.00 0.00 56.93 56.41 3iji s PHE 360 Cb 0.12 -0.64 0.03 0.00 -0.57 0.00 0.00 43.02 41.96 3iji s PHE 360 CO 0.52 0.08 -0.04 0.21 -0.10 0.00 0.00 175.22 175.89 3iji s LYS 361 N -3.45 2.79 0.00 0.44 2.20 -0.21 -4.57 119.74 116.93 3iji s LYS 361 Ca 0.14 -1.01 0.00 0.00 -0.36 0.00 0.00 55.97 54.73 3iji s LYS 361 Cb 0.01 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 3iji s LYS 361 CO 0.01 -0.44 0.00 0.41 -0.36 0.00 0.00 175.35 174.97 3iji n GLY 362 N 4.67 4.17 3.76 5.54 0.00 -1.26 -0.86 105.19 121.21 3iji n GLY 362 Ca -0.16 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 3iji n GLY 362 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iji s VAL 363 N 3.52 2.02 0.29 1.61 -7.23 -1.26 -4.82 120.40 114.53 3iji s VAL 363 Ca 0.00 0.02 0.08 0.00 -1.81 0.00 0.00 61.98 60.27 3iji s VAL 363 Cb 0.00 -3.01 -0.06 0.00 0.56 0.00 0.00 36.38 33.87 3iji s VAL 363 CO 0.00 0.00 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.08 3iji s GLU 364 N -2.72 1.63 -0.29 4.82 0.41 -0.92 -4.92 118.70 116.70 3iji s GLU 364 Ca 0.67 -1.81 -0.09 0.00 -0.41 0.00 0.00 54.97 53.33 3iji s GLU 364 Cb -0.42 -1.40 -0.02 0.00 -1.78 0.00 0.00 34.13 30.51 3iji s GLU 364 CO 0.52 0.12 0.13 0.08 -0.49 0.00 0.00 175.26 175.62 3iji s VAL 365 N -2.82 4.55 -0.08 2.63 1.01 -1.26 0.57 120.40 125.01 3iji s VAL 365 Ca 0.30 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3iji s VAL 365 Cb 0.02 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.17 3iji s VAL 365 CO 0.13 0.17 -0.10 -0.69 0.00 0.00 0.00 175.10 174.61 3iji s VAL 366 N 1.62 1.02 -1.44 2.92 1.01 -0.09 -4.69 120.40 120.75 3iji s VAL 366 Ca 0.05 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 3iji s VAL 366 Cb -0.16 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.26 3iji s VAL 366 CO 0.06 0.34 0.46 0.59 0.00 0.00 0.00 175.10 176.55 3iji n ASN 367 N 4.22 -5.14 0.00 3.32 3.02 -1.26 -0.24 115.26 119.17 3iji n ASN 367 Ca -0.20 -0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 3iji n ASN 367 Cb 0.51 -4.21 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 3iji n ASN 367 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iji n GLY 368 N -1.30 0.57 3.76 7.41 0.00 -1.12 -4.78 105.19 109.72 3iji n GLY 368 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 3iji n GLY 368 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iji s LYS 369 N -0.44 3.09 0.20 1.61 1.02 0.66 -2.17 119.74 123.71 3iji s LYS 369 Ca 0.00 -0.39 -0.31 0.00 0.02 0.00 0.00 55.97 55.29 3iji s LYS 369 Cb 0.00 -2.88 -0.10 0.00 -0.52 0.00 0.00 37.83 34.32 3iji s LYS 369 CO 0.00 0.69 1.53 0.42 -0.92 0.00 0.00 175.35 177.07 3iji s ILE 370 N -1.04 2.59 -0.21 2.17 -1.09 -0.54 -0.91 121.20 122.18 3iji s ILE 370 Ca 0.17 0.45 0.01 0.00 -2.23 0.00 0.00 60.65 59.05 3iji s ILE 370 Cb -0.12 -3.29 0.05 0.00 -1.58 0.00 0.00 42.46 37.52 3iji s ILE 370 CO 0.07 0.05 -0.09 -0.89 -1.23 0.00 0.00 174.94 172.86 3iji s THR 371 N 0.69 1.57 0.19 2.92 2.01 0.19 -4.69 115.64 118.53 3iji s THR 371 Ca 0.66 -1.04 -0.28 0.00 0.31 0.00 0.00 61.69 61.35 3iji s THR 371 Cb -0.43 -1.71 -0.08 0.00 0.01 0.00 0.00 72.50 70.29 3iji s THR 371 CO 0.36 0.09 0.86 -0.76 -0.69 0.00 0.00 174.62 174.49 3iji s LEU 372 N 1.41 4.61 0.00 4.42 1.43 -1.26 -2.17 118.68 127.12 3iji s LEU 372 Ca -0.02 1.79 0.02 0.00 -1.03 0.00 0.00 54.13 54.88 3iji s LEU 372 Cb -0.17 -3.46 0.10 0.00 0.03 0.00 0.00 46.19 42.69 3iji s LEU 372 CO -0.08 0.16 0.71 -0.46 0.23 0.00 0.00 176.35 176.92 3iji n ASN 373 N 1.67 1.16 -1.39 2.29 0.23 -1.26 -5.02 115.26 112.95 3iji n ASN 373 Ca -0.03 -1.93 0.09 0.00 -0.53 0.00 0.00 54.58 52.18 3iji n ASN 373 Cb 0.48 -0.44 0.32 0.00 -2.08 0.00 0.00 39.78 38.05 3iji n ASN 373 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3iji n ASP 374 N -2.82 4.07 -4.77 0.53 8.00 -1.26 -4.97 116.55 115.34 3iji n ASP 374 Ca 0.12 -2.25 -0.39 0.00 0.71 0.00 0.00 54.79 52.99 3iji n ASP 374 Cb 0.45 -0.51 -0.01 0.00 -0.02 0.00 0.00 41.12 41.02 3iji n ASP 374 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3iji s LEU 375 N -1.43 4.26 0.99 0.64 1.43 -1.26 -4.72 118.68 118.58 3iji s LEU 375 Ca 0.46 2.52 -0.12 0.00 -1.03 0.00 0.00 54.13 55.96 3iji s LEU 375 Cb 0.27 -3.89 0.18 0.00 0.03 0.00 0.00 46.19 42.78 3iji s LEU 375 CO 0.26 -0.70 1.08 -2.84 0.23 0.00 0.00 176.35 174.38 3iji s PRO 376 N -2.15 0.51 7.07 1.29 0.02 -1.26 -3.82 135.00 136.67 3iji s PRO 376 Ca 0.55 0.87 0.00 0.00 0.02 0.00 0.00 61.00 62.44 3iji s PRO 376 Cb -0.35 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.45 3iji s PRO 376 CO 0.45 -2.77 0.00 0.41 -0.33 0.00 0.00 177.00 174.76 3iji n GLY 377 N -0.44 2.05 0.36 0.52 0.00 -0.66 -2.29 105.19 104.74 3iji n GLY 377 Ca 0.06 -0.38 0.14 0.00 0.00 0.00 0.00 46.02 45.84 3iji n GLY 377 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3iji n ILE 378 N 0.00 0.01 -2.66 -0.61 -5.35 -1.26 -1.98 119.36 107.52 3iji n ILE 378 Ca 0.00 -0.19 -0.04 0.00 -0.27 0.00 0.00 62.75 62.25 3iji n ILE 378 Cb 0.00 0.25 0.01 0.00 -1.74 0.00 0.00 39.64 38.16 3iji n ILE 378 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iji n GLY 379 N 1.13 0.68 3.33 3.28 0.00 -0.97 -4.10 105.19 108.54 3iji n GLY 379 Ca 0.20 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 3iji n GLY 379 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iji s VAL 380 N -3.05 1.80 -0.08 1.61 -7.23 -1.26 -4.27 120.40 107.91 3iji s VAL 380 Ca 0.09 -1.97 0.05 0.00 -1.81 0.00 0.00 61.98 58.34 3iji s VAL 380 Cb -0.04 -1.87 -0.00 0.00 0.56 0.00 0.00 36.38 35.02 3iji s VAL 380 CO 0.12 -0.37 -0.24 -0.32 -0.31 0.00 0.00 175.10 173.99 3iji s MET 381 N -2.94 2.76 0.00 4.82 1.75 -0.04 -4.95 119.30 120.69 3iji s MET 381 Ca 0.17 -0.86 0.29 0.00 -1.25 0.00 0.00 55.69 54.03 3iji s MET 381 Cb -0.05 -2.18 1.70 0.00 2.84 0.00 0.00 34.83 37.14 3iji s MET 381 CO 0.07 0.25 2.04 1.17 -0.65 0.00 0.00 175.02 177.91