#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ooa n GLY 39 N 0.00 1.33 3.74 -0.02 0.00 -1.26 -5.03 105.19 103.95 1ooa n GLY 39 Ca 0.00 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 1ooa n GLY 39 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ooa s PRO 40 N 2.42 4.51 0.10 1.61 0.02 -1.26 -4.70 135.00 137.70 1ooa s PRO 40 Ca 0.00 1.84 -0.06 0.00 0.02 0.00 0.00 61.00 62.80 1ooa s PRO 40 Cb 0.00 -3.25 -0.02 0.00 0.02 0.00 0.00 34.50 31.25 1ooa s PRO 40 CO 0.00 -0.06 0.14 1.52 -0.33 0.00 0.00 177.00 178.26 1ooa s TYR 41 N -0.05 0.39 0.02 6.54 1.13 -1.01 -4.79 117.35 119.58 1ooa s TYR 41 Ca 0.52 -0.83 -0.04 0.00 -1.41 0.00 0.00 57.07 55.32 1ooa s TYR 41 Cb -0.32 -0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 40.30 1ooa s TYR 41 CO 0.36 -0.54 0.23 -1.17 -2.51 0.00 0.00 175.55 171.92 1ooa s LEU 42 N -2.92 4.36 -0.05 -3.49 1.98 -1.26 -0.90 118.68 116.40 1ooa s LEU 42 Ca 0.11 0.42 -0.02 0.00 -2.89 0.00 0.00 54.13 51.74 1ooa s LEU 42 Cb 0.06 -2.73 0.03 0.00 0.66 0.00 0.00 46.19 44.21 1ooa s LEU 42 CO -0.07 0.23 0.11 -1.58 -1.89 0.00 0.00 176.35 173.15 1ooa s GLN 43 N -2.01 0.07 -0.31 1.98 0.74 -0.11 -4.91 119.66 115.10 1ooa s GLN 43 Ca 0.29 0.27 -0.26 0.00 0.05 0.00 0.00 55.36 55.70 1ooa s GLN 43 Cb -0.13 -0.13 0.01 0.00 1.10 0.00 0.00 33.01 33.86 1ooa s GLN 43 CO 0.20 -0.13 0.94 0.42 -0.55 0.00 0.00 175.29 176.17 1ooa s ILE 44 N 0.85 4.64 0.01 -2.34 1.01 -1.26 0.40 121.20 124.51 1ooa s ILE 44 Ca -0.07 1.47 -0.05 0.00 0.00 0.00 0.00 60.65 62.01 1ooa s ILE 44 Cb -0.09 -4.30 -0.29 0.00 0.01 0.00 0.00 42.46 37.80 1ooa s ILE 44 CO -0.04 -0.38 0.90 -0.07 0.00 0.00 0.00 174.94 175.35 1ooa h LEU 45 N 9.80 0.44 -7.34 2.97 4.07 -0.32 -3.45 115.31 121.48 1ooa h LEU 45 Ca -0.22 -0.58 -0.30 0.00 0.08 0.00 0.00 57.88 56.86 1ooa h LEU 45 Cb 1.08 -0.14 -0.35 0.00 1.08 0.00 0.00 40.66 42.32 1ooa h LEU 45 CO 0.97 1.47 -0.67 -0.70 -1.08 0.00 0.00 178.44 178.43 1ooa s GLU 46 N -2.62 0.01 0.60 1.13 2.12 -0.52 -4.96 118.70 114.47 1ooa s GLU 46 Ca -0.09 0.43 -0.14 0.00 0.36 0.00 0.00 54.97 55.54 1ooa s GLU 46 Cb 0.07 -0.31 -0.04 0.00 0.26 0.00 0.00 34.13 34.11 1ooa s GLU 46 CO 0.86 -0.26 1.03 -0.65 -0.54 0.00 0.00 175.26 175.70 1ooa s GLN 47 N 1.86 3.47 0.68 4.30 -1.52 -1.26 -1.84 119.66 125.35 1ooa s GLN 47 Ca -0.01 0.96 -0.13 0.00 -1.95 0.00 0.00 55.36 54.23 1ooa s GLN 47 Cb -0.12 -2.06 0.01 0.00 -0.22 0.00 0.00 33.01 30.62 1ooa s GLN 47 CO -0.05 -0.67 1.09 -1.25 -0.25 0.00 0.00 175.29 174.16 1ooa s PRO 48 N -4.58 2.77 0.31 2.91 0.04 -1.26 0.11 135.00 135.29 1ooa s PRO 48 Ca 0.59 1.25 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 1ooa s PRO 48 Cb -0.13 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 1ooa s PRO 48 CO 0.44 -1.25 1.16 0.21 0.04 0.00 0.00 177.00 177.60 1ooa s LYS 49 N -4.41 4.47 0.09 4.56 2.20 0.75 -4.12 119.74 123.29 1ooa s LYS 49 Ca 0.64 1.91 -0.14 0.00 -0.36 0.00 0.00 55.97 58.02 1ooa s LYS 49 Cb -0.18 -3.07 -0.18 0.00 -1.51 0.00 0.00 37.83 32.89 1ooa s LYS 49 CO 0.46 0.03 1.27 1.96 -0.36 0.00 0.00 175.35 178.70 1ooa h GLN 50 N 3.50 0.75 -5.64 4.03 4.20 -1.90 -3.46 115.11 116.59 1ooa h GLN 50 Ca -0.48 -0.66 -0.47 0.00 0.06 0.00 0.00 58.65 57.11 1ooa h GLN 50 Cb 1.22 0.15 -0.15 0.00 0.30 0.00 0.00 27.48 29.00 1ooa h GLN 50 CO 0.66 1.26 -0.75 1.03 -0.67 0.00 0.00 178.83 180.36 1ooa s ARG 51 N -3.63 1.30 0.00 1.46 0.52 -1.26 -1.11 118.95 116.23 1ooa s ARG 51 Ca -0.10 -1.52 0.00 0.00 -0.52 0.00 0.00 55.73 53.58 1ooa s ARG 51 Cb 0.08 -1.16 0.00 0.00 0.52 0.00 0.00 34.95 34.39 1ooa s ARG 51 CO 0.90 0.21 0.00 0.41 0.02 0.00 0.00 175.30 176.84 1ooa n GLY 52 N -0.16 0.37 3.87 -3.53 0.00 -1.26 -5.05 105.19 99.42 1ooa n GLY 52 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 1ooa n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ooa s PHE 53 N -2.00 3.60 -0.21 1.61 5.36 -1.26 -4.87 117.98 120.21 1ooa s PHE 53 Ca 0.00 0.56 -0.10 0.00 -0.96 0.00 0.00 56.93 56.43 1ooa s PHE 53 Cb 0.00 -1.97 -0.05 0.00 -0.34 0.00 0.00 43.02 40.66 1ooa s PHE 53 CO 0.00 0.72 0.14 0.50 -1.46 0.00 0.00 175.22 175.11 1ooa s ARG 54 N -0.98 4.14 0.32 10.12 3.52 -1.26 -1.07 118.95 133.75 1ooa s ARG 54 Ca 0.15 -0.24 -0.27 0.00 -0.13 0.00 0.00 55.73 55.24 1ooa s ARG 54 Cb -0.12 -3.45 -0.09 0.00 -1.56 0.00 0.00 34.95 29.72 1ooa s ARG 54 CO 0.04 0.22 1.02 -0.06 -0.81 0.00 0.00 175.30 175.71 1ooa s PHE 55 N 0.60 3.57 -0.05 5.12 0.40 -1.26 -4.77 117.98 121.58 1ooa s PHE 55 Ca 0.08 1.74 0.05 0.00 -0.60 0.00 0.00 56.93 58.19 1ooa s PHE 55 Cb -0.12 -3.09 -0.02 0.00 0.51 0.00 0.00 43.02 40.30 1ooa s PHE 55 CO 0.00 -0.22 -0.20 1.03 0.70 0.00 0.00 175.22 176.53 1ooa s ARG 56 N -1.91 2.52 0.50 0.44 1.81 -0.39 -4.84 118.95 117.09 1ooa s ARG 56 Ca 0.50 -0.80 -0.10 0.00 -1.72 0.00 0.00 55.73 53.61 1ooa s ARG 56 Cb -0.24 -2.27 -0.05 0.00 -0.45 0.00 0.00 34.95 31.94 1ooa s ARG 56 CO 0.31 0.50 0.87 0.71 -0.68 0.00 0.00 175.30 177.01 1ooa s TYR 57 N -0.43 3.54 0.21 -0.53 1.51 -1.26 -0.26 117.35 120.14 1ooa s TYR 57 Ca 0.05 1.09 -0.09 0.00 -1.01 0.00 0.00 57.07 57.11 1ooa s TYR 57 Cb -0.12 -2.52 0.31 0.00 -0.11 0.00 0.00 41.96 39.53 1ooa s TYR 57 CO 0.02 -0.36 1.73 0.28 -1.11 0.00 0.00 175.55 176.10 1ooa h VAL 58 N 0.38 0.71 0.00 0.71 2.07 -1.93 -1.86 116.25 116.33 1ooa h VAL 58 Ca -0.46 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1ooa h VAL 58 Cb 1.19 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1ooa h VAL 58 CO 0.62 0.07 0.00 0.00 0.02 0.00 0.00 177.57 178.28 1ooa n GLU 60 N -1.47 0.52 0.00 0.00 1.02 -0.70 -5.05 120.64 114.96 1ooa n GLU 60 Ca 0.02 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1ooa n GLU 60 Cb 0.07 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1ooa n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ooa n GLY 61 N 1.33 -0.12 4.00 0.62 0.00 -1.12 -5.04 105.19 104.85 1ooa n GLY 61 Ca 0.13 -1.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.08 1ooa n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ooa s PRO 62 N -1.55 1.65 -0.78 1.61 0.04 -1.26 -4.80 135.00 129.90 1ooa s PRO 62 Ca 0.00 -1.20 -0.02 0.00 0.04 0.00 0.00 61.00 59.81 1ooa s PRO 62 Cb 0.00 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1ooa s PRO 62 CO 0.00 -1.46 0.58 0.43 0.04 0.00 0.00 177.00 176.59 1ooa n SER 63 N -2.82 -4.66 -0.98 6.66 7.64 -1.26 -4.90 113.62 113.29 1ooa n SER 63 Ca 0.16 -0.92 0.08 0.00 1.01 0.00 0.00 58.87 59.20 1ooa n SER 63 Cb 0.61 -1.54 0.24 0.00 -1.01 0.00 0.00 64.21 62.51 1ooa n SER 63 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ooa n HIS 64 N -2.45 0.83 0.00 1.43 8.25 -1.26 -5.04 115.22 116.98 1ooa n HIS 64 Ca -0.31 -0.59 0.00 0.00 -0.26 0.00 0.00 57.72 56.56 1ooa n HIS 64 Cb 0.68 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.67 1ooa n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ooa n GLY 65 N 0.62 3.39 3.90 -1.41 0.00 -1.26 -5.07 105.19 105.36 1ooa n GLY 65 Ca 0.18 -1.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.27 1ooa n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ooa s GLY 66 N 0.00 1.78 -0.03 -0.02 0.00 -1.26 -4.50 107.32 103.29 1ooa s GLY 66 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 44.72 43.93 1ooa s GLY 66 CO 0.00 -0.36 1.59 -2.27 0.00 0.00 0.00 173.10 172.06 1ooa s LEU 67 N -3.88 4.32 0.50 0.66 2.96 0.26 -4.80 118.68 118.70 1ooa s LEU 67 Ca 0.46 2.24 -0.19 0.00 -0.22 0.00 0.00 54.13 56.41 1ooa s LEU 67 Cb -0.10 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.96 1ooa s LEU 67 CO 0.33 -0.87 1.02 -2.84 -1.32 0.00 0.00 176.35 172.66 1ooa s PRO 68 N 3.46 3.81 0.75 0.98 0.02 -1.26 -4.52 135.00 138.24 1ooa s PRO 68 Ca 0.71 1.24 -0.11 0.00 0.02 0.00 0.00 61.00 62.85 1ooa s PRO 68 Cb -0.34 -2.10 0.05 0.00 0.02 0.00 0.00 34.50 32.13 1ooa s PRO 68 CO 0.29 -0.40 1.12 0.20 -0.33 0.00 0.00 177.00 177.88 1ooa s GLY 69 N -2.30 1.61 0.54 0.52 0.00 -0.39 -0.18 107.32 107.13 1ooa s GLY 69 Ca 0.65 -0.57 0.29 0.00 0.00 0.00 0.00 44.72 45.09 1ooa s GLY 69 CO 0.23 -0.14 2.11 0.00 0.00 0.00 0.00 173.10 175.30 1ooa h ALA 70 N -0.83 1.26 -0.02 3.20 0.00 0.58 -2.60 119.26 120.85 1ooa h ALA 70 Ca -0.45 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1ooa h ALA 70 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ooa h ALA 70 CO 0.64 0.11 -0.15 0.43 0.00 0.00 0.00 179.25 180.29 1ooa n SER 71 N -3.57 2.31 -4.65 0.00 7.64 -1.26 -4.87 113.62 109.21 1ooa n SER 71 Ca -0.02 -1.65 -0.42 0.00 1.01 0.00 0.00 58.87 57.79 1ooa n SER 71 Cb 0.22 0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1ooa n SER 71 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ooa n SER 72 N 0.64 1.97 -4.28 6.43 2.88 -0.98 -4.77 113.62 115.51 1ooa n SER 72 Ca 0.10 1.13 -0.15 0.00 -1.33 0.00 0.00 58.87 58.62 1ooa n SER 72 Cb 0.45 -1.41 -0.10 0.00 -0.75 0.00 0.00 64.21 62.40 1ooa n SER 72 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ooa s GLU 73 N -1.91 1.24 0.48 -1.46 0.41 -0.53 -4.86 118.70 112.06 1ooa s GLU 73 Ca 0.59 -1.62 0.25 0.00 -0.41 0.00 0.00 54.97 53.78 1ooa s GLU 73 Cb -0.58 -0.32 1.21 0.00 -1.78 0.00 0.00 34.13 32.66 1ooa s GLU 73 CO 0.59 -0.17 1.97 -0.22 -0.49 0.00 0.00 175.26 176.94 1ooa h LYS 74 N 2.57 0.00 0.01 1.61 1.63 -2.01 -2.98 116.57 117.40 1ooa h LYS 74 Ca -0.37 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.08 1ooa h LYS 74 Cb 1.22 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.80 1ooa h LYS 74 CO 0.62 0.18 -1.94 0.09 -3.45 0.00 0.00 179.45 174.95 1ooa n ASN 75 N -3.61 1.94 -4.15 4.20 3.02 -1.26 -4.71 115.26 110.68 1ooa n ASN 75 Ca -0.01 0.32 -0.38 0.00 -0.03 0.00 0.00 54.58 54.47 1ooa n ASN 75 Cb 0.31 -0.85 -0.06 0.00 -0.61 0.00 0.00 39.78 38.57 1ooa n ASN 75 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ooa s LYS 76 N -2.45 3.28 -0.08 3.52 2.47 -1.21 -5.06 119.74 120.21 1ooa s LYS 76 Ca -0.33 -3.05 -0.30 0.00 -1.56 0.00 0.00 55.97 50.73 1ooa s LYS 76 Cb 0.10 -4.03 -0.03 0.00 -1.46 0.00 0.00 37.83 32.40 1ooa s LYS 76 CO 0.57 -1.25 1.30 0.15 0.16 0.00 0.00 175.35 176.28 1ooa s LYS 77 N -0.95 4.29 0.40 4.03 1.02 -1.13 -1.45 119.74 125.95 1ooa s LYS 77 Ca 0.25 1.77 0.07 0.00 0.02 0.00 0.00 55.97 58.08 1ooa s LYS 77 Cb -0.10 -3.65 -0.08 0.00 -0.52 0.00 0.00 37.83 33.47 1ooa s LYS 77 CO -0.10 -0.58 0.01 -1.54 -0.92 0.00 0.00 175.35 172.22 1ooa s SER 78 N 1.85 3.71 0.20 2.83 1.04 -1.26 -4.90 113.70 117.16 1ooa s SER 78 Ca 0.58 -1.37 -0.02 0.00 0.48 0.00 0.00 55.95 55.63 1ooa s SER 78 Cb -0.26 -0.36 -0.04 0.00 0.10 0.00 0.00 66.02 65.46 1ooa s SER 78 CO 0.21 -0.46 0.16 -0.31 0.98 0.00 0.00 173.24 173.82 1ooa s TYR 79 N -2.77 1.09 0.52 5.02 2.02 -1.26 -1.26 117.35 120.69 1ooa s TYR 79 Ca 0.35 -1.32 -0.22 0.00 -0.37 0.00 0.00 57.07 55.51 1ooa s TYR 79 Cb 0.10 -0.50 -0.07 0.00 -0.40 0.00 0.00 41.96 41.09 1ooa s TYR 79 CO 0.18 -0.67 1.08 -2.30 -1.57 0.00 0.00 175.55 172.27 1ooa n PRO 80 N -0.28 1.29 -3.67 -1.71 -0.02 -1.26 -4.54 135.00 124.81 1ooa n PRO 80 Ca 0.02 0.48 -0.10 0.00 -2.02 0.00 0.00 63.50 61.88 1ooa n PRO 80 Cb 0.66 -2.22 -0.09 0.00 -0.02 0.00 0.00 33.50 31.83 1ooa n PRO 80 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ooa s GLN 81 N -2.48 0.55 0.38 -0.52 0.74 -0.77 -1.05 119.66 116.52 1ooa s GLN 81 Ca 0.69 0.96 0.05 0.00 0.05 0.00 0.00 55.36 57.11 1ooa s GLN 81 Cb -0.47 0.09 -0.07 0.00 1.10 0.00 0.00 33.01 33.66 1ooa s GLN 81 CO 0.52 -0.14 0.04 0.14 -0.55 0.00 0.00 175.29 175.29 1ooa s VAL 82 N 1.33 1.54 -0.08 1.34 -7.23 -0.17 0.44 120.40 117.57 1ooa s VAL 82 Ca -0.08 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.02 1ooa s VAL 82 Cb -0.06 -2.84 0.02 0.00 0.56 0.00 0.00 36.38 34.06 1ooa s VAL 82 CO -0.14 0.00 0.21 -0.75 -0.31 0.00 0.00 175.10 174.11 1ooa s LYS 83 N -3.80 0.24 -0.25 4.82 2.20 0.16 -0.91 119.74 122.20 1ooa s LYS 83 Ca 0.34 0.30 -0.18 0.00 -0.36 0.00 0.00 55.97 56.07 1ooa s LYS 83 Cb 0.09 0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.48 1ooa s LYS 83 CO 0.16 -0.04 0.52 0.42 -0.36 0.00 0.00 175.35 176.05 1ooa s ILE 84 N 0.19 5.07 0.17 5.43 1.01 -0.56 -0.93 121.20 131.58 1ooa s ILE 84 Ca -0.01 0.91 0.05 0.00 0.00 0.00 0.00 60.65 61.60 1ooa s ILE 84 Cb -0.02 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1ooa s ILE 84 CO -0.00 0.10 0.18 0.00 0.00 0.00 0.00 174.94 175.22 1ooa n ASN 86 N -0.50 -5.44 -3.64 0.00 3.02 -1.26 -2.41 115.26 105.03 1ooa n ASN 86 Ca -0.08 -0.24 -0.08 0.00 -0.03 0.00 0.00 54.58 54.15 1ooa n ASN 86 Cb 0.55 -4.44 -0.07 0.00 -0.61 0.00 0.00 39.78 35.21 1ooa n ASN 86 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ooa s TYR 87 N -3.07 -0.53 -0.08 3.10 5.04 -1.26 -4.20 117.35 116.35 1ooa s TYR 87 Ca 0.26 1.23 -0.03 0.00 -2.44 0.00 0.00 57.07 56.10 1ooa s TYR 87 Cb -0.12 0.37 0.04 0.00 0.35 0.00 0.00 41.96 42.59 1ooa s TYR 87 CO 0.32 -0.26 0.07 0.08 -1.34 0.00 0.00 175.55 174.43 1ooa s VAL 88 N 0.47 -0.10 -4.95 3.14 1.01 -1.26 -4.94 120.40 113.77 1ooa s VAL 88 Ca 0.01 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1ooa s VAL 88 Cb -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1ooa s VAL 88 CO -0.08 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1ooa n GLY 89 N 5.29 -1.23 3.72 4.51 0.00 -1.13 -4.98 105.19 111.37 1ooa n GLY 89 Ca -0.04 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 1ooa n GLY 89 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ooa n PRO 90 N 0.00 1.01 -3.57 1.61 -0.02 -1.26 -4.18 135.00 128.59 1ooa n PRO 90 Ca 0.00 0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 61.78 1ooa n PRO 90 Cb 0.00 -2.51 -0.05 0.00 -0.02 0.00 0.00 33.50 30.92 1ooa n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ooa s ALA 91 N -1.47 -1.91 -0.09 3.55 0.00 -1.12 -4.46 121.76 116.26 1ooa s ALA 91 Ca 0.82 1.52 0.02 0.00 0.00 0.00 0.00 51.96 54.32 1ooa s ALA 91 Cb -0.37 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1ooa s ALA 91 CO 0.41 -0.35 -0.16 0.21 0.00 0.00 0.00 175.76 175.87 1ooa s LYS 92 N -1.32 2.96 -0.10 0.00 2.20 -0.11 -0.01 119.74 123.36 1ooa s LYS 92 Ca -0.02 -0.74 0.01 0.00 -0.36 0.00 0.00 55.97 54.87 1ooa s LYS 92 Cb -0.00 -2.46 0.02 0.00 -1.51 0.00 0.00 37.83 33.88 1ooa s LYS 92 CO 0.01 0.37 -0.13 0.08 -0.36 0.00 0.00 175.35 175.32 1ooa s VAL 93 N -0.07 1.34 0.13 4.02 1.01 -0.76 0.94 120.40 127.01 1ooa s VAL 93 Ca -0.03 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.48 1ooa s VAL 93 Cb -0.14 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1ooa s VAL 93 CO 0.04 0.41 -0.09 0.27 0.00 0.00 0.00 175.10 175.73 1ooa s ILE 94 N 1.04 3.33 -0.13 2.22 -4.36 0.88 -2.27 121.20 121.91 1ooa s ILE 94 Ca -0.06 -1.40 0.01 0.00 -0.26 0.00 0.00 60.65 58.94 1ooa s ILE 94 Cb -0.15 -2.59 0.02 0.00 1.25 0.00 0.00 42.46 40.99 1ooa s ILE 94 CO -0.02 0.03 -0.16 -0.69 0.24 0.00 0.00 174.94 174.34 1ooa s VAL 95 N -1.40 1.62 0.17 8.37 1.01 0.87 -1.27 120.40 129.77 1ooa s VAL 95 Ca 0.23 -0.69 0.11 0.00 0.00 0.00 0.00 61.98 61.62 1ooa s VAL 95 Cb -0.10 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1ooa s VAL 95 CO 0.14 0.47 -0.25 -1.10 0.00 0.00 0.00 175.10 174.36 1ooa s GLN 96 N 1.14 1.46 -0.13 2.72 -0.21 -0.76 -1.82 119.66 122.06 1ooa s GLN 96 Ca -0.02 -1.45 -0.19 0.00 0.02 0.00 0.00 55.36 53.71 1ooa s GLN 96 Cb -0.14 -1.83 -0.04 0.00 1.00 0.00 0.00 33.01 32.00 1ooa s GLN 96 CO -0.05 0.41 0.52 -0.51 -2.12 0.00 0.00 175.29 173.54 1ooa s LEU 97 N -2.44 4.25 0.34 2.90 1.43 -1.26 -1.23 118.68 122.67 1ooa s LEU 97 Ca 0.18 0.83 0.04 0.00 -1.03 0.00 0.00 54.13 54.15 1ooa s LEU 97 Cb -0.09 -2.75 -0.06 0.00 0.03 0.00 0.00 46.19 43.32 1ooa s LEU 97 CO 0.08 -0.06 0.05 0.68 0.23 0.00 0.00 176.35 177.34 1ooa s VAL 98 N 0.88 1.27 0.65 -1.59 -7.23 0.11 -1.39 120.40 113.10 1ooa s VAL 98 Ca 0.27 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.33 1ooa s VAL 98 Cb -0.15 -2.80 -0.02 0.00 0.56 0.00 0.00 36.38 33.96 1ooa s VAL 98 CO 0.11 0.00 1.05 0.42 -0.31 0.00 0.00 175.10 176.37 1ooa s THR 99 N -3.21 4.37 -0.30 5.32 -4.23 0.43 -0.91 115.64 117.10 1ooa s THR 99 Ca 0.36 0.77 0.11 0.00 -1.18 0.00 0.00 61.69 61.74 1ooa s THR 99 Cb 0.09 -3.71 0.71 0.00 1.34 0.00 0.00 72.50 70.93 1ooa s THR 99 CO 0.16 -1.01 1.74 -3.20 -0.54 0.00 0.00 174.62 171.77 1ooa n ASN 100 N -2.88 4.54 -1.83 3.99 5.15 -1.26 -4.57 115.26 118.41 1ooa n ASN 100 Ca 0.06 -3.25 0.00 0.00 -0.60 0.00 0.00 54.58 50.80 1ooa n ASN 100 Cb 0.54 -0.71 0.00 0.00 -0.53 0.00 0.00 39.78 39.08 1ooa n ASN 100 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ooa n GLY 101 N -0.28 0.36 0.21 8.20 0.00 -1.26 -5.00 105.19 107.43 1ooa n GLY 101 Ca 0.38 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 1ooa n GLY 101 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ooa h LYS 102 N 0.00 0.64 -4.63 1.61 -0.00 -2.03 -3.40 116.57 108.77 1ooa h LYS 102 Ca 0.00 -0.47 -0.70 0.00 -0.00 0.00 0.00 60.65 59.48 1ooa h LYS 102 Cb 0.00 0.08 -0.30 0.00 -0.00 0.00 0.00 32.23 32.01 1ooa h LYS 102 CO 0.00 1.09 -0.59 -0.80 -0.00 0.00 0.00 179.45 179.15 1ooa s ASN 103 N -7.00 5.30 0.26 7.07 -0.87 -1.26 -5.07 114.94 113.37 1ooa s ASN 103 Ca -0.08 -1.34 -0.31 0.00 -1.57 0.00 0.00 52.86 49.56 1ooa s ASN 103 Cb 0.10 -1.86 -0.13 0.00 -0.02 0.00 0.00 41.25 39.34 1ooa s ASN 103 CO 0.87 -0.38 1.44 -0.38 -2.57 0.00 0.00 177.10 176.07 1ooa n ILE 104 N 4.77 1.10 -4.12 0.60 2.08 -1.26 -4.95 119.36 117.59 1ooa n ILE 104 Ca -0.11 -0.27 -0.10 0.00 0.56 0.00 0.00 62.75 62.82 1ooa n ILE 104 Cb 0.44 -1.60 -0.09 0.00 -0.75 0.00 0.00 39.64 37.64 1ooa n ILE 104 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 1ooa s HIS 105 N -0.18 0.83 0.39 1.39 3.76 -1.26 -4.60 115.29 115.62 1ooa s HIS 105 Ca 0.66 -1.14 -0.26 0.00 -0.15 0.00 0.00 55.06 54.17 1ooa s HIS 105 Cb -0.60 -0.35 -0.09 0.00 1.11 0.00 0.00 32.58 32.65 1ooa s HIS 105 CO 0.51 -0.66 1.23 -0.51 -0.85 0.00 0.00 174.74 174.46 1ooa s LEU 106 N -3.07 4.23 0.30 0.89 1.43 -1.03 -0.43 118.68 120.99 1ooa s LEU 106 Ca 0.28 2.50 0.02 0.00 -1.03 0.00 0.00 54.13 55.90 1ooa s LEU 106 Cb 0.05 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 42.31 1ooa s LEU 106 CO 0.06 -0.73 0.47 -2.28 0.23 0.00 0.00 176.35 174.11 1ooa s HIS 107 N -1.32 3.48 -0.07 0.29 5.65 -0.48 -4.59 115.29 118.25 1ooa s HIS 107 Ca 0.56 0.25 0.17 0.00 0.25 0.00 0.00 55.06 56.29 1ooa s HIS 107 Cb -0.34 -1.80 0.30 0.00 -1.18 0.00 0.00 32.58 29.56 1ooa s HIS 107 CO 0.44 0.25 1.56 0.00 -0.65 0.00 0.00 174.74 176.33 1ooa h ALA 108 N 1.05 0.79 -2.32 1.58 0.00 -1.92 -3.46 119.26 114.98 1ooa h ALA 108 Ca -0.50 -0.38 -0.49 0.00 0.00 0.00 0.00 54.91 53.53 1ooa h ALA 108 Cb 1.22 -0.07 0.15 0.00 0.00 0.00 0.00 17.79 19.09 1ooa h ALA 108 CO 0.62 0.53 0.26 -1.01 0.00 0.00 0.00 179.25 179.65 1ooa s HIS 109 N -3.18 2.34 0.05 0.00 3.76 -1.26 -4.73 115.29 112.27 1ooa s HIS 109 Ca 0.03 1.38 0.09 0.00 -0.15 0.00 0.00 55.06 56.41 1ooa s HIS 109 Cb 0.08 -3.13 -0.03 0.00 1.11 0.00 0.00 32.58 30.61 1ooa s HIS 109 CO 0.72 -2.26 -0.26 -1.12 -0.85 0.00 0.00 174.74 170.96 1ooa s SER 110 N -3.35 3.14 -0.09 1.40 0.01 -0.60 -4.80 113.70 109.43 1ooa s SER 110 Ca 0.63 -0.60 -0.21 0.00 1.31 0.00 0.00 55.95 57.08 1ooa s SER 110 Cb -0.18 -0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.73 1ooa s SER 110 CO 0.57 0.25 0.60 -0.22 0.41 0.00 0.00 173.24 174.84 1ooa s LEU 111 N -1.32 4.30 0.11 2.44 2.96 -0.88 0.18 118.68 126.48 1ooa s LEU 111 Ca 0.12 1.02 0.03 0.00 -0.22 0.00 0.00 54.13 55.08 1ooa s LEU 111 Cb -0.10 -2.90 -0.04 0.00 0.50 0.00 0.00 46.19 43.65 1ooa s LEU 111 CO 0.02 -0.05 -0.09 0.54 -1.32 0.00 0.00 176.35 175.45 1ooa s VAL 112 N 0.67 0.91 0.00 1.68 0.11 -0.16 -3.79 120.40 119.81 1ooa s VAL 112 Ca 0.32 -1.86 0.00 0.00 -2.93 0.00 0.00 61.98 57.51 1ooa s VAL 112 Cb -0.17 -1.61 0.00 0.00 -1.53 0.00 0.00 36.38 33.08 1ooa s VAL 112 CO 0.15 -0.73 0.00 0.61 -3.33 0.00 0.00 175.10 171.80 1ooa n GLY 113 N 0.13 0.16 3.63 6.54 0.00 -1.26 -0.77 105.19 113.61 1ooa n GLY 113 Ca -0.13 -2.06 -0.56 0.00 0.00 0.00 0.00 46.02 43.27 1ooa n GLY 113 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ooa n LYS 114 N 0.00 1.05 -1.41 1.61 4.81 -1.01 -1.05 118.16 122.17 1ooa n LYS 114 Ca 0.00 0.36 -0.14 0.00 -0.87 0.00 0.00 58.31 57.66 1ooa n LYS 114 Cb 0.00 -2.13 -0.06 0.00 0.02 0.00 0.00 35.03 32.86 1ooa n LYS 114 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1ooa n HIS 115 N 6.42 0.00 -3.94 5.64 8.25 -1.26 -4.88 115.22 125.46 1ooa n HIS 115 Ca 0.32 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.45 1ooa n HIS 115 Cb 0.13 -2.58 -0.05 0.00 1.12 0.00 0.00 29.99 28.62 1ooa n HIS 115 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ooa s GLU 117 N -2.13 0.72 -1.46 0.00 2.12 -0.58 -4.74 118.70 112.62 1ooa s GLU 117 Ca 0.29 1.16 -0.10 0.00 0.36 0.00 0.00 54.97 56.69 1ooa s GLU 117 Cb -0.13 0.19 0.05 0.00 0.26 0.00 0.00 34.13 34.50 1ooa s GLU 117 CO 0.21 -0.14 0.83 -0.25 -0.54 0.00 0.00 175.26 175.38 1ooa n ASP 118 N 3.99 -5.31 0.00 -1.70 8.00 -1.26 -1.74 116.55 118.54 1ooa n ASP 118 Ca -0.19 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 54.79 1ooa n ASP 118 Cb 0.58 -4.26 0.00 0.00 -0.02 0.00 0.00 41.12 37.43 1ooa n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ooa n GLY 119 N -1.62 0.72 3.28 0.44 0.00 -1.25 -4.94 105.19 101.83 1ooa n GLY 119 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1ooa n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ooa s VAL 120 N -3.07 2.05 -0.18 1.61 1.01 -0.71 -2.06 120.40 119.05 1ooa s VAL 120 Ca 0.00 -1.08 -0.15 0.00 0.00 0.00 0.00 61.98 60.75 1ooa s VAL 120 Cb 0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1ooa s VAL 120 CO 0.00 0.57 0.34 0.00 0.00 0.00 0.00 175.10 176.01 1ooa s THR 122 N 0.86 0.90 0.19 0.00 2.01 -0.93 -0.09 115.64 118.57 1ooa s THR 122 Ca 0.17 -0.57 0.08 0.00 0.31 0.00 0.00 61.69 61.68 1ooa s THR 122 Cb -0.14 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 1ooa s THR 122 CO 0.06 0.03 -0.16 0.68 -0.69 0.00 0.00 174.62 174.54 1ooa s VAL 123 N 1.72 1.75 0.15 3.82 -7.23 -0.96 -4.88 120.40 114.76 1ooa s VAL 123 Ca 0.00 -2.09 0.03 0.00 -1.81 0.00 0.00 61.98 58.11 1ooa s VAL 123 Cb -0.16 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 1ooa s VAL 123 CO -0.07 -0.50 0.23 0.42 -0.31 0.00 0.00 175.10 174.87 1ooa s THR 124 N -2.63 5.07 -0.38 5.32 -4.23 -1.26 -1.83 115.64 115.70 1ooa s THR 124 Ca 0.20 -0.79 -0.07 0.00 -1.18 0.00 0.00 61.69 59.84 1ooa s THR 124 Cb -0.03 -3.60 0.07 0.00 1.34 0.00 0.00 72.50 70.28 1ooa s THR 124 CO 0.07 -0.09 0.18 0.00 -0.54 0.00 0.00 174.62 174.24 1ooa s ALA 125 N -1.73 3.15 0.74 3.99 0.00 0.98 -4.92 121.76 123.97 1ooa s ALA 125 Ca 0.33 -2.03 -0.16 0.00 0.00 0.00 0.00 51.96 50.10 1ooa s ALA 125 Cb -0.11 -2.43 -0.14 0.00 0.00 0.00 0.00 23.12 20.44 1ooa s ALA 125 CO 0.27 -1.53 -0.49 0.41 0.00 0.00 0.00 175.76 174.42 1ooa n GLY 126 N 4.81 -3.82 0.27 0.00 0.00 -1.23 -2.77 105.19 102.45 1ooa n GLY 126 Ca -0.10 -0.51 0.18 0.00 0.00 0.00 0.00 46.02 45.59 1ooa n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ooa h PRO 127 N -0.55 0.00 0.00 1.61 0.13 -1.95 -3.31 132.00 127.93 1ooa h PRO 127 Ca -0.40 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.65 1ooa h PRO 127 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1ooa h PRO 127 CO 0.29 0.00 -1.29 1.63 -0.23 0.00 0.00 178.00 178.40 1ooa n LYS 128 N -2.76 0.12 -3.03 0.86 5.02 -1.26 -2.83 118.16 114.28 1ooa n LYS 128 Ca -0.02 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 1ooa n LYS 128 Cb 0.08 -0.85 -0.06 0.00 -0.02 0.00 0.00 35.03 34.18 1ooa n LYS 128 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ooa s ASP 129 N -5.07 6.59 0.00 4.39 -1.08 -1.25 -4.88 116.67 115.37 1ooa s ASP 129 Ca -0.07 0.56 0.20 0.00 -0.52 0.00 0.00 52.55 52.72 1ooa s ASP 129 Cb 0.02 -2.37 0.58 0.00 -1.46 0.00 0.00 42.92 39.69 1ooa s ASP 129 CO 0.10 -0.54 1.48 0.23 0.52 0.00 0.00 175.17 176.96 1ooa n MET 130 N 6.04 2.52 -3.58 4.34 2.81 -1.26 -3.46 117.12 124.52 1ooa n MET 130 Ca 0.01 -2.36 -0.37 0.00 -1.81 0.00 0.00 57.70 53.17 1ooa n MET 130 Cb 0.48 -1.51 -0.09 0.00 -0.71 0.00 0.00 33.22 31.39 1ooa n MET 130 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1ooa s VAL 131 N -1.14 5.31 -0.07 2.03 1.01 -1.26 -1.50 120.40 124.78 1ooa s VAL 131 Ca 0.44 0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.80 1ooa s VAL 131 Cb 0.23 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1ooa s VAL 131 CO 0.30 0.32 -0.20 -0.69 0.00 0.00 0.00 175.10 174.83 1ooa s VAL 132 N 1.10 2.48 0.30 2.92 1.01 -0.09 -4.95 120.40 123.16 1ooa s VAL 132 Ca 0.11 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.27 1ooa s VAL 132 Cb -0.14 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1ooa s VAL 132 CO 0.05 0.57 0.01 -0.83 0.00 0.00 0.00 175.10 174.90 1ooa s GLY 133 N -0.19 1.81 -0.47 4.51 0.00 -1.26 -1.00 107.32 110.71 1ooa s GLY 133 Ca -0.02 -1.76 0.06 0.00 0.00 0.00 0.00 44.72 43.00 1ooa s GLY 133 CO 0.03 -1.78 0.50 0.69 0.00 0.00 0.00 173.10 172.54 1ooa n PHE 134 N -0.94 0.53 -1.96 1.90 3.72 -0.22 -4.97 117.46 115.52 1ooa n PHE 134 Ca -0.05 -3.67 -0.30 0.00 -0.05 0.00 0.00 57.45 53.39 1ooa n PHE 134 Cb 0.60 -0.23 0.05 0.00 -0.94 0.00 0.00 39.48 38.96 1ooa n PHE 134 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ooa s ALA 135 N -1.05 2.94 -1.29 4.37 0.00 -1.26 -4.33 121.76 121.15 1ooa s ALA 135 Ca 0.34 -0.41 -0.08 0.00 0.00 0.00 0.00 51.96 51.80 1ooa s ALA 135 Cb 0.10 -2.96 -0.00 0.00 0.00 0.00 0.00 23.12 20.26 1ooa s ALA 135 CO -0.13 -1.12 0.60 -1.71 0.00 0.00 0.00 175.76 173.39 1ooa n ASN 136 N -2.96 -2.28 -4.49 0.00 4.05 -1.26 -4.59 115.26 103.72 1ooa n ASN 136 Ca 0.07 -0.99 -0.35 0.00 0.45 0.00 0.00 54.58 53.76 1ooa n ASN 136 Cb 0.57 -3.29 -0.12 0.00 1.23 0.00 0.00 39.78 38.18 1ooa n ASN 136 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1ooa s LEU 137 N -6.75 3.38 0.15 1.20 2.96 -1.26 -2.39 118.68 115.97 1ooa s LEU 137 Ca 0.18 -0.14 0.10 0.00 -0.22 0.00 0.00 54.13 54.06 1ooa s LEU 137 Cb -0.07 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1ooa s LEU 137 CO 0.87 0.09 -0.22 -0.83 -1.32 0.00 0.00 176.35 174.95 1ooa s GLY 138 N 0.84 1.67 -0.36 7.98 0.00 0.05 0.91 107.32 118.40 1ooa s GLY 138 Ca 0.01 -1.49 -0.08 0.00 0.00 0.00 0.00 44.72 43.16 1ooa s GLY 138 CO 0.02 -1.49 0.16 -0.42 0.00 0.00 0.00 173.10 171.37 1ooa s ILE 139 N -1.34 4.02 -0.48 0.90 1.01 -1.26 -0.99 121.20 123.05 1ooa s ILE 139 Ca 0.18 -1.14 -0.27 0.00 0.00 0.00 0.00 60.65 59.43 1ooa s ILE 139 Cb -0.09 -3.31 0.03 0.00 0.01 0.00 0.00 42.46 39.09 1ooa s ILE 139 CO 0.09 -0.26 1.02 -0.22 0.00 0.00 0.00 174.94 175.57 1ooa s LEU 140 N 1.43 3.85 -0.35 2.97 2.96 0.13 -1.27 118.68 128.40 1ooa s LEU 140 Ca 0.00 0.20 -0.29 0.00 -0.22 0.00 0.00 54.13 53.83 1ooa s LEU 140 Cb -0.20 -3.29 0.02 0.00 0.50 0.00 0.00 46.19 43.21 1ooa s LEU 140 CO 0.03 -1.16 1.13 -2.28 -1.32 0.00 0.00 176.35 172.75 1ooa s HIS 141 N 4.09 3.00 0.80 5.38 5.65 0.64 -1.55 115.29 133.30 1ooa s HIS 141 Ca 0.41 1.04 -0.11 0.00 0.25 0.00 0.00 55.06 56.64 1ooa s HIS 141 Cb -0.09 -3.90 0.07 0.00 -1.18 0.00 0.00 32.58 27.48 1ooa s HIS 141 CO 0.28 -1.04 1.09 0.14 -0.65 0.00 0.00 174.74 174.56 1ooa s VAL 142 N 3.96 3.21 0.38 0.89 -7.23 -1.26 -4.33 120.40 116.02 1ooa s VAL 142 Ca 0.48 0.39 -0.13 0.00 -1.81 0.00 0.00 61.98 60.91 1ooa s VAL 142 Cb -0.12 -3.00 -0.08 0.00 0.56 0.00 0.00 36.38 33.75 1ooa s VAL 142 CO 0.20 -0.51 0.78 0.42 -0.31 0.00 0.00 175.10 175.68 1ooa s THR 143 N -3.01 4.71 0.23 5.32 -4.23 -1.26 -4.94 115.64 112.45 1ooa s THR 143 Ca 0.61 0.84 -0.07 0.00 -1.18 0.00 0.00 61.69 61.89 1ooa s THR 143 Cb -0.16 -3.67 0.18 0.00 1.34 0.00 0.00 72.50 70.19 1ooa s THR 143 CO 0.56 -0.38 1.74 0.50 -0.54 0.00 0.00 174.62 176.50 1ooa h LYS 144 N 1.68 0.44 -0.16 3.99 3.64 -2.01 -1.31 116.57 122.84 1ooa h LYS 144 Ca -0.47 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 1ooa h LYS 144 Cb 1.18 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1ooa h LYS 144 CO 0.64 0.29 -0.04 0.87 -2.27 0.00 0.00 179.45 178.95 1ooa h LYS 145 N 0.45 0.24 -0.67 1.90 1.57 -2.04 -2.83 116.57 115.19 1ooa h LYS 145 Ca 0.36 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1ooa h LYS 145 Cb 0.48 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1ooa h LYS 145 CO -0.34 0.30 0.00 1.63 -0.57 0.00 0.00 179.45 180.47 1ooa n LYS 146 N -4.36 2.56 0.21 3.15 5.02 -0.56 -4.59 118.16 119.59 1ooa n LYS 146 Ca -0.00 -2.42 -0.15 0.00 -2.02 0.00 0.00 58.31 53.72 1ooa n LYS 146 Cb 0.20 -1.52 -0.07 0.00 -0.02 0.00 0.00 35.03 33.61 1ooa n LYS 146 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ooa h VAL 147 N 3.95 0.35 0.14 -0.18 2.07 -1.13 -1.86 116.25 119.60 1ooa h VAL 147 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ooa h VAL 147 Cb 0.90 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1ooa h VAL 147 CO 0.00 0.00 -0.12 0.15 0.02 0.00 0.00 177.57 177.62 1ooa h PHE 148 N -0.66 -0.31 -0.28 1.57 3.04 -1.82 -0.75 116.94 117.74 1ooa h PHE 148 Ca -0.02 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.85 1ooa h PHE 148 Cb 0.60 0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.21 1ooa h PHE 148 CO -0.18 -0.19 -0.17 1.05 -2.02 0.00 0.00 178.31 176.80 1ooa h GLU 149 N -0.28 0.49 -0.47 1.11 4.11 -1.87 -1.42 114.58 116.25 1ooa h GLU 149 Ca -0.00 -0.16 -0.13 0.00 0.07 0.00 0.00 59.36 59.14 1ooa h GLU 149 Cb 0.25 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1ooa h GLU 149 CO -0.02 0.65 -0.21 1.15 0.07 0.00 0.00 179.01 180.65 1ooa h THR 150 N 0.44 1.27 -0.45 -1.06 2.02 -1.21 -1.79 112.91 112.14 1ooa h THR 150 Ca 0.08 -1.37 -0.06 0.00 0.77 0.00 0.00 66.41 65.83 1ooa h THR 150 Cb 0.56 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1ooa h THR 150 CO 0.04 0.47 0.06 0.25 0.37 0.00 0.00 175.52 176.71 1ooa h LEU 151 N 0.82 0.74 -0.92 2.58 7.12 -0.92 -1.75 115.31 122.98 1ooa h LEU 151 Ca 0.11 -0.27 0.01 0.00 0.13 0.00 0.00 57.88 57.86 1ooa h LEU 151 Cb 0.79 -0.20 -0.05 0.00 -0.53 0.00 0.00 40.66 40.67 1ooa h LEU 151 CO 0.07 0.82 0.61 -0.08 -0.13 0.00 0.00 178.44 179.72 1ooa h GLU 152 N 0.62 1.19 -0.53 1.25 4.81 -1.12 -1.14 114.58 119.66 1ooa h GLU 152 Ca 0.14 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 1ooa h GLU 152 Cb 0.41 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1ooa h GLU 152 CO 0.01 0.79 -0.04 0.00 -0.73 0.00 0.00 179.01 179.03 1ooa h ALA 153 N 1.35 0.92 -0.29 2.92 0.00 -1.05 -2.52 119.26 120.58 1ooa h ALA 153 Ca 0.34 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1ooa h ALA 153 Cb -0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1ooa h ALA 153 CO -0.08 0.64 -0.08 0.00 0.00 0.00 0.00 179.25 179.73 1ooa h ARG 154 N 0.85 0.57 -0.90 0.00 2.47 -0.64 -1.45 114.38 115.28 1ooa h ARG 154 Ca 0.15 -0.22 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 1ooa h ARG 154 Cb 0.57 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.81 1ooa h ARG 154 CO 0.03 0.77 0.54 0.52 0.56 0.00 0.00 179.97 182.39 1ooa h MET 155 N 0.33 1.22 0.49 0.04 2.86 -1.22 0.38 114.93 119.02 1ooa h MET 155 Ca 0.07 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1ooa h MET 155 Cb 0.56 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1ooa h MET 155 CO 0.03 0.85 -0.23 1.15 1.06 0.00 0.00 176.91 179.77 1ooa h THR 156 N 1.24 0.52 -0.92 2.22 2.02 -1.26 0.17 112.91 116.89 1ooa h THR 156 Ca 0.32 -0.09 0.12 0.00 0.77 0.00 0.00 66.41 67.53 1ooa h THR 156 Cb -0.05 0.56 -0.08 0.00 -1.74 0.00 0.00 68.15 66.84 1ooa h THR 156 CO -0.06 0.02 0.55 -0.33 0.37 0.00 0.00 175.52 176.07 1ooa h GLU 157 N -0.71 0.85 -0.27 6.66 5.08 -0.94 0.14 114.58 125.40 1ooa h GLU 157 Ca -0.07 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1ooa h GLU 157 Cb 0.53 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1ooa h GLU 157 CO 0.11 0.56 -0.13 0.00 -1.00 0.00 0.00 179.01 178.56 1ooa h ALA 158 N 1.51 1.29 -0.03 3.43 0.00 -0.51 -1.30 119.26 123.65 1ooa h ALA 158 Ca 0.46 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 1ooa h ALA 158 Cb 0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ooa h ALA 158 CO -0.27 0.47 -0.76 0.00 0.00 0.00 0.00 179.25 178.69 1ooa h ILE 160 N 0.15 1.31 0.00 0.00 2.04 -0.56 -3.28 117.51 117.17 1ooa h ILE 160 Ca -0.03 -2.24 0.00 0.00 1.00 0.00 0.00 64.86 63.59 1ooa h ILE 160 Cb 1.33 2.30 0.00 0.00 -0.74 0.00 0.00 36.82 39.71 1ooa h ILE 160 CO 0.12 0.69 -0.41 0.03 0.00 0.00 0.00 178.15 178.57 1ooa h ARG 161 N 0.38 0.00 -0.17 2.37 2.47 -1.28 -3.37 114.38 114.78 1ooa h ARG 161 Ca -0.10 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.59 1ooa h ARG 161 Cb 1.60 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.92 1ooa h ARG 161 CO 0.18 0.00 -0.04 0.41 0.56 0.00 0.00 179.97 181.09 1ooa n GLY 162 N 1.24 0.37 3.49 0.04 0.00 -0.48 -4.14 105.19 105.69 1ooa n GLY 162 Ca 0.03 -0.89 -0.44 0.00 0.00 0.00 0.00 46.02 44.73 1ooa n GLY 162 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ooa s TYR 163 N -2.07 3.20 -1.46 1.61 2.02 -0.61 -3.33 117.35 116.70 1ooa s TYR 163 Ca 0.00 -1.73 -0.10 0.00 -0.37 0.00 0.00 57.07 54.88 1ooa s TYR 163 Cb 0.00 -4.40 0.05 0.00 -0.40 0.00 0.00 41.96 37.21 1ooa s TYR 163 CO 0.00 -1.53 0.80 0.09 -1.57 0.00 0.00 175.55 173.34 1ooa n ASN 164 N 6.60 -5.17 -0.21 2.29 4.13 -1.26 -4.84 115.26 116.81 1ooa n ASN 164 Ca 0.34 -0.52 -0.01 0.00 1.68 0.00 0.00 54.58 56.07 1ooa n ASN 164 Cb 0.46 -4.16 0.06 0.00 -1.54 0.00 0.00 39.78 34.60 1ooa n ASN 164 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1ooa h PRO 165 N -1.74 -0.02 -0.85 3.52 0.11 -1.80 -1.52 132.00 129.69 1ooa h PRO 165 Ca -0.53 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 1ooa h PRO 165 Cb 1.35 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.43 1ooa h PRO 165 CO 0.60 -0.01 0.43 0.78 -0.21 0.00 0.00 178.00 179.59 1ooa h GLY 166 N -0.02 1.30 1.94 -0.55 0.00 -1.72 0.16 103.07 104.18 1ooa h GLY 166 Ca 0.29 -0.62 -0.21 0.00 0.00 0.00 0.00 47.33 46.79 1ooa h GLY 166 CO -0.64 0.59 -1.00 1.41 0.00 0.00 0.00 176.54 176.90 1ooa h LEU 167 N 1.21 0.07 0.00 3.11 4.07 -1.69 -3.19 115.31 118.88 1ooa h LEU 167 Ca 0.30 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1ooa h LEU 167 Cb 0.08 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1ooa h LEU 167 CO -0.04 1.02 -1.45 0.18 -1.08 0.00 0.00 178.44 177.07 1ooa n LEU 168 N -3.43 0.10 -0.03 1.67 4.77 -0.63 -4.62 117.00 114.84 1ooa n LEU 168 Ca -0.01 -0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 55.83 1ooa n LEU 168 Cb 0.92 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.99 1ooa n LEU 168 CO 0.48 0.03 -0.36 0.52 -1.33 0.00 0.00 177.39 176.72 1ooa n VAL 169 N -1.86 1.35 -3.64 4.08 0.31 0.54 -2.46 118.33 116.66 1ooa n VAL 169 Ca -0.02 0.26 -0.09 0.00 -0.01 0.00 0.00 64.34 64.49 1ooa n VAL 169 Cb 0.33 -1.99 -0.07 0.00 -0.91 0.00 0.00 33.84 31.20 1ooa n VAL 169 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1ooa s HIS 170 N -2.46 -0.74 0.32 3.52 2.46 -1.01 -4.88 115.29 112.50 1ooa s HIS 170 Ca -0.15 1.64 0.07 0.00 0.47 0.00 0.00 55.06 57.08 1ooa s HIS 170 Cb 0.02 0.40 0.90 0.00 -0.13 0.00 0.00 32.58 33.78 1ooa s HIS 170 CO 0.23 -0.36 1.58 0.77 -2.47 0.00 0.00 174.74 174.49 1ooa h SER 171 N 5.49 -0.24 -1.23 9.88 0.02 -1.84 -1.60 113.55 124.02 1ooa h SER 171 Ca -0.29 0.27 -0.58 0.00 -0.84 0.00 0.00 61.79 60.35 1ooa h SER 171 Cb 1.19 0.42 -0.21 0.00 0.14 0.00 0.00 62.40 63.93 1ooa h SER 171 CO 0.12 -0.36 0.66 -0.90 -1.14 0.00 0.00 176.83 175.21 1ooa n ASP 172 N -5.41 6.97 0.00 3.07 5.68 -1.26 -3.67 116.55 121.92 1ooa n ASP 172 Ca 0.27 -3.45 0.00 0.00 -0.50 0.00 0.00 54.79 51.10 1ooa n ASP 172 Cb 0.89 -1.12 0.00 0.00 -1.14 0.00 0.00 41.12 39.75 1ooa n ASP 172 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1ooa n LEU 173 N 0.11 0.36 0.30 -2.12 7.94 -0.60 -4.76 117.00 118.23 1ooa n LEU 173 Ca 0.49 -0.36 0.16 0.00 -1.11 0.00 0.00 56.01 55.19 1ooa n LEU 173 Cb 0.48 0.00 0.95 0.00 0.53 0.00 0.00 43.42 45.38 1ooa n LEU 173 CO 0.46 0.09 1.13 0.00 -1.11 0.00 0.00 177.39 177.96 1ooa h ALA 174 N 0.00 1.48 0.00 1.96 0.00 -1.73 -0.80 119.26 120.17 1ooa h ALA 174 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ooa h ALA 174 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ooa h ALA 174 CO 0.00 -0.01 0.00 2.48 0.00 0.00 0.00 179.25 181.72 1ooa n TYR 175 N -3.77 0.00 -3.17 0.00 0.18 -1.26 -3.86 117.16 105.28 1ooa n TYR 175 Ca -0.03 0.00 -0.45 0.00 1.88 0.00 0.00 57.90 59.30 1ooa n TYR 175 Cb 0.09 -0.47 -0.01 0.00 -0.38 0.00 0.00 39.34 38.56 1ooa n TYR 175 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1ooa s LEU 176 N -2.95 5.98 -0.10 -3.48 1.43 -0.31 -5.01 118.68 114.26 1ooa s LEU 176 Ca 0.01 -2.80 -0.01 0.00 -1.03 0.00 0.00 54.13 50.31 1ooa s LEU 176 Cb 0.02 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 1ooa s LEU 176 CO 0.05 -0.65 -0.05 -1.10 0.23 0.00 0.00 176.35 174.82 1ooa s GLN 177 N 0.65 3.06 -0.63 1.70 -1.52 -1.25 -4.56 119.66 117.11 1ooa s GLN 177 Ca 0.28 -0.53 -0.15 0.00 -1.95 0.00 0.00 55.36 53.02 1ooa s GLN 177 Cb -0.08 -2.71 -0.15 0.00 -0.22 0.00 0.00 33.01 29.86 1ooa s GLN 177 CO -0.07 0.53 1.73 0.00 -0.25 0.00 0.00 175.29 177.23 1ooa n ALA 178 N 2.63 0.43 -2.50 6.09 0.00 -1.21 -3.57 120.51 122.37 1ooa n ALA 178 Ca -0.18 -1.51 -0.42 0.00 0.00 0.00 0.00 53.44 51.34 1ooa n ALA 178 Cb 0.53 -2.15 0.01 0.00 0.00 0.00 0.00 19.45 17.83 1ooa n ALA 178 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ooa n GLU 179 N 6.53 4.29 -2.04 0.00 -0.58 -1.26 -4.42 120.64 123.17 1ooa n GLU 179 Ca 0.29 -3.96 -0.21 0.00 -0.42 0.00 0.00 57.16 52.86 1ooa n GLU 179 Cb 0.44 -2.69 -0.05 0.00 -0.57 0.00 0.00 31.44 28.57 1ooa n GLU 179 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ooa n GLY 180 N 1.79 0.62 0.00 0.62 0.00 -1.26 -4.09 105.19 102.87 1ooa n GLY 180 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1ooa n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ooa n GLY 181 N -0.72 0.48 3.58 -0.02 0.00 -1.26 -5.02 105.19 102.22 1ooa n GLY 181 Ca -0.23 -0.52 -0.17 0.00 0.00 0.00 0.00 46.02 45.11 1ooa n GLY 181 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ooa s GLY 182 N 0.00 -0.88 -0.30 -0.02 0.00 -1.23 -3.41 107.32 101.48 1ooa s GLY 182 Ca 0.00 -1.45 -0.03 0.00 0.00 0.00 0.00 44.72 43.24 1ooa s GLY 182 CO 0.00 4.17 0.32 1.22 0.00 0.00 0.00 173.10 178.80 1ooa n ASP 183 N 18.69 -4.81 0.00 1.64 9.92 -1.26 -4.49 116.55 136.24 1ooa n ASP 183 Ca 0.43 0.07 0.02 0.00 -0.53 0.00 0.00 54.79 54.78 1ooa n ASP 183 Cb 0.46 -3.08 0.07 0.00 -0.64 0.00 0.00 41.12 37.93 1ooa n ASP 183 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1ooa n ARG 184 N -1.02 0.03 -3.67 -1.24 0.63 -1.22 -4.26 116.66 105.92 1ooa n ARG 184 Ca 0.02 0.33 -0.28 0.00 -0.92 0.00 0.00 57.85 57.00 1ooa n ARG 184 Cb 0.40 -1.50 -0.16 0.00 0.45 0.00 0.00 32.46 31.65 1ooa n ARG 184 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1ooa s GLN 185 N -2.74 0.47 0.25 -0.14 -0.21 -1.26 -4.99 119.66 111.04 1ooa s GLN 185 Ca 0.02 -0.57 -0.30 0.00 0.02 0.00 0.00 55.36 54.53 1ooa s GLN 185 Cb 0.02 -1.81 -0.10 0.00 1.00 0.00 0.00 33.01 32.12 1ooa s GLN 185 CO 0.05 -0.83 1.45 -0.51 -2.12 0.00 0.00 175.29 173.34 1ooa s LEU 186 N 1.89 4.38 1.08 2.90 1.02 -1.26 -5.02 118.68 123.68 1ooa s LEU 186 Ca 0.05 2.69 -0.18 0.00 0.02 0.00 0.00 54.13 56.71 1ooa s LEU 186 Cb -0.17 -3.62 0.24 0.00 0.02 0.00 0.00 46.19 42.66 1ooa s LEU 186 CO -0.20 -0.72 1.22 0.42 0.02 0.00 0.00 176.35 177.09 1ooa s THR 187 N 0.00 1.80 0.10 5.49 -4.23 -1.26 -4.90 115.64 112.65 1ooa s THR 187 Ca 0.60 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 61.00 1ooa s THR 187 Cb -0.42 -2.75 -0.19 0.00 1.34 0.00 0.00 72.50 70.48 1ooa s THR 187 CO 0.44 0.00 1.27 0.44 -0.54 0.00 0.00 174.62 176.23 1ooa h ASP 188 N -2.11 0.82 0.26 3.99 5.19 -2.00 -2.95 116.42 119.62 1ooa h ASP 188 Ca -0.45 -0.61 -0.06 0.00 -0.62 0.00 0.00 57.03 55.29 1ooa h ASP 188 Cb 1.26 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.52 1ooa h ASP 188 CO 0.36 1.40 -0.28 -0.09 -3.12 0.00 0.00 179.24 177.51 1ooa h ARG 189 N 0.40 0.04 -0.25 3.56 1.12 -2.00 -2.66 114.38 114.60 1ooa h ARG 189 Ca -0.09 -0.01 -0.11 0.00 -1.11 0.00 0.00 59.98 58.66 1ooa h ARG 189 Cb 1.55 -0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.50 1ooa h ARG 189 CO 0.18 0.32 -0.28 0.93 -3.11 0.00 0.00 179.97 178.01 1ooa h GLU 190 N 0.04 0.64 0.00 0.20 5.08 -1.92 -2.09 114.58 116.53 1ooa h GLU 190 Ca 0.00 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1ooa h GLU 190 Cb 0.52 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ooa h GLU 190 CO 0.04 0.96 -0.04 0.87 -1.00 0.00 0.00 179.01 179.83 1ooa h LYS 191 N 0.36 0.00 -0.20 2.33 1.57 -1.33 -1.22 116.57 118.07 1ooa h LYS 191 Ca 0.04 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1ooa h LYS 191 Cb 0.85 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1ooa h LYS 191 CO 0.07 0.04 -0.12 0.93 -0.57 0.00 0.00 179.45 179.80 1ooa h GLU 192 N 0.00 0.44 -0.41 3.15 4.39 -1.13 -1.36 114.58 119.65 1ooa h GLU 192 Ca -0.00 -0.20 0.04 0.00 0.34 0.00 0.00 59.36 59.54 1ooa h GLU 192 Cb 0.08 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1ooa h GLU 192 CO 0.01 0.74 0.19 0.82 -1.16 0.00 0.00 179.01 179.61 1ooa h ILE 193 N 0.13 0.95 -0.30 3.13 2.04 -0.61 -0.75 117.51 122.11 1ooa h ILE 193 Ca 0.04 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.79 1ooa h ILE 193 Cb 0.62 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1ooa h ILE 193 CO 0.03 0.07 0.16 0.40 0.00 0.00 0.00 178.15 178.81 1ooa h ILE 194 N 0.39 1.01 -0.70 -0.67 2.04 -1.19 0.10 117.51 118.48 1ooa h ILE 194 Ca 0.18 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.99 1ooa h ILE 194 Cb 0.11 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 1ooa h ILE 194 CO -0.14 0.06 0.41 0.03 0.00 0.00 0.00 178.15 178.50 1ooa h ARG 195 N 0.33 0.73 -0.47 2.37 -0.00 -0.68 0.59 114.38 117.24 1ooa h ARG 195 Ca 0.12 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.98 59.42 1ooa h ARG 195 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 29.97 29.82 1ooa h ARG 195 CO -0.07 0.48 -0.23 1.96 0.00 0.00 0.00 179.97 182.10 1ooa h GLN 196 N 0.75 0.99 -0.07 0.04 4.20 -0.76 -2.32 115.11 117.93 1ooa h GLN 196 Ca 0.31 -0.43 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1ooa h GLN 196 Cb 0.18 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1ooa h GLN 196 CO -0.18 1.11 0.01 0.00 -0.67 0.00 0.00 178.83 179.10 1ooa h ALA 197 N 0.85 0.09 -0.41 3.87 0.00 -0.24 -1.95 119.26 121.46 1ooa h ALA 197 Ca 0.10 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ooa h ALA 197 Cb 0.82 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1ooa h ALA 197 CO 0.07 -0.27 0.17 0.00 0.00 0.00 0.00 179.25 179.22 1ooa h ALA 198 N 0.78 0.50 -0.29 0.00 0.00 0.18 0.34 119.26 120.78 1ooa h ALA 198 Ca 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ooa h ALA 198 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ooa h ALA 198 CO 0.00 -0.21 0.13 -0.24 0.00 0.00 0.00 179.25 178.93 1ooa h VAL 199 N 0.35 1.17 -0.56 0.00 3.04 -1.37 -1.80 116.25 117.08 1ooa h VAL 199 Ca 0.19 -0.50 -0.05 0.00 -1.01 0.00 0.00 66.70 65.33 1ooa h VAL 199 Cb 0.14 0.96 -0.02 0.00 -2.01 0.00 0.00 31.29 30.35 1ooa h VAL 199 CO -0.17 0.17 0.17 -0.61 -1.01 0.00 0.00 177.57 176.13 1ooa h GLN 200 N 0.33 0.88 0.00 4.17 5.75 -1.10 -2.97 115.11 122.16 1ooa h GLN 200 Ca 0.10 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 1ooa h GLN 200 Cb 0.16 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.58 1ooa h GLN 200 CO -0.01 0.80 0.00 1.04 -2.65 0.00 0.00 178.83 178.01 1ooa n GLN 201 N -4.43 0.11 0.04 1.69 6.02 0.09 -3.33 117.38 117.56 1ooa n GLN 201 Ca 0.03 0.19 0.12 0.00 -0.01 0.00 0.00 57.00 57.33 1ooa n GLN 201 Cb 0.21 -1.65 0.14 0.00 1.02 0.00 0.00 30.24 29.96 1ooa n GLN 201 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ooa n THR 202 N -1.84 0.26 0.97 5.09 -2.24 -0.69 -3.83 114.28 112.00 1ooa n THR 202 Ca 0.05 -0.23 0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1ooa n THR 202 Cb 0.30 0.01 0.54 0.00 -2.10 0.00 0.00 70.33 69.09 1ooa n THR 202 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1ooa n LYS 203 N -1.99 0.20 -2.85 -0.78 2.85 -1.21 -4.11 118.16 110.27 1ooa n LYS 203 Ca 0.03 0.09 -0.11 0.00 -1.05 0.00 0.00 58.31 57.26 1ooa n LYS 203 Cb 0.43 -1.50 0.05 0.00 -0.65 0.00 0.00 35.03 33.36 1ooa n LYS 203 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ooa n GLU 204 N -1.37 0.96 -4.66 -1.58 -0.58 -1.25 -5.11 120.64 107.05 1ooa n GLU 204 Ca 0.09 -2.27 -0.33 0.00 -0.42 0.00 0.00 57.16 54.23 1ooa n GLU 204 Cb 0.21 -1.24 -0.14 0.00 -0.57 0.00 0.00 31.44 29.70 1ooa n GLU 204 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1ooa s MET 205 N -0.31 3.41 -0.43 3.49 1.75 -1.26 -5.06 119.30 120.91 1ooa s MET 205 Ca 0.28 -0.66 -0.22 0.00 -1.25 0.00 0.00 55.69 53.83 1ooa s MET 205 Cb 0.29 -2.69 0.02 0.00 2.84 0.00 0.00 34.83 35.29 1ooa s MET 205 CO -0.09 0.18 0.72 0.34 -0.65 0.00 0.00 175.02 175.53 1ooa s ASP 206 N 0.44 6.40 0.00 1.11 -1.08 -1.26 -4.92 116.67 117.36 1ooa s ASP 206 Ca -0.09 -0.11 0.21 0.00 -0.52 0.00 0.00 52.55 52.04 1ooa s ASP 206 Cb -0.16 -2.36 1.03 0.00 -1.46 0.00 0.00 42.92 39.97 1ooa s ASP 206 CO 0.04 -0.82 1.68 0.18 0.52 0.00 0.00 175.17 176.78 1ooa n LEU 207 N 6.47 0.00 -0.87 -1.34 4.32 -1.26 -3.27 117.00 121.05 1ooa n LEU 207 Ca 0.01 0.35 0.11 0.00 -0.02 0.00 0.00 56.01 56.45 1ooa n LEU 207 Cb 0.48 -0.35 0.09 0.00 -1.62 0.00 0.00 43.42 42.02 1ooa n LEU 207 CO 0.56 -0.10 0.59 -1.20 -1.22 0.00 0.00 177.39 176.01 1ooa n SER 208 N -1.35 2.80 -3.96 -1.43 7.64 -1.26 -4.94 113.62 111.13 1ooa n SER 208 Ca 0.09 -1.90 -0.15 0.00 1.01 0.00 0.00 58.87 57.92 1ooa n SER 208 Cb 0.19 0.01 -0.14 0.00 -1.01 0.00 0.00 64.21 63.27 1ooa n SER 208 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ooa s VAL 209 N -1.84 0.37 0.14 0.44 1.01 -1.20 -1.21 120.40 118.10 1ooa s VAL 209 Ca 0.25 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.80 1ooa s VAL 209 Cb 0.18 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 36.24 1ooa s VAL 209 CO 0.28 0.03 0.34 0.54 0.00 0.00 0.00 175.10 176.29 1ooa s VAL 210 N -0.28 0.08 0.06 2.92 0.11 -0.83 -4.65 120.40 117.80 1ooa s VAL 210 Ca -0.00 -0.96 0.02 0.00 -2.93 0.00 0.00 61.98 58.11 1ooa s VAL 210 Cb -0.03 -1.45 -0.03 0.00 -1.53 0.00 0.00 36.38 33.34 1ooa s VAL 210 CO -0.00 -0.36 -0.07 -0.13 -3.33 0.00 0.00 175.10 171.21 1ooa s ARG 211 N -3.87 0.66 -0.10 1.54 0.52 -0.09 -0.30 118.95 117.32 1ooa s ARG 211 Ca 0.08 -0.99 -0.09 0.00 -0.52 0.00 0.00 55.73 54.21 1ooa s ARG 211 Cb 0.02 -0.27 -0.04 0.00 0.52 0.00 0.00 34.95 35.18 1ooa s ARG 211 CO -0.07 0.03 0.20 -0.51 0.02 0.00 0.00 175.30 174.96 1ooa s LEU 212 N -2.16 4.40 -0.14 2.53 1.43 -1.26 0.04 118.68 123.51 1ooa s LEU 212 Ca -0.01 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1ooa s LEU 212 Cb -0.04 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 44.02 1ooa s LEU 212 CO -0.02 0.39 -0.12 -0.32 0.23 0.00 0.00 176.35 176.51 1ooa s MET 213 N -1.01 2.04 -0.15 1.70 1.75 -0.37 -0.07 119.30 123.20 1ooa s MET 213 Ca 0.17 -0.47 -0.08 0.00 -1.25 0.00 0.00 55.69 54.05 1ooa s MET 213 Cb -0.13 -1.96 -0.04 0.00 2.84 0.00 0.00 34.83 35.54 1ooa s MET 213 CO 0.06 -0.26 0.13 -0.06 -0.65 0.00 0.00 175.02 174.24 1ooa s PHE 214 N 1.55 3.51 -0.06 4.11 0.40 -0.31 -1.83 117.98 125.36 1ooa s PHE 214 Ca 0.05 0.44 0.01 0.00 -0.60 0.00 0.00 56.93 56.83 1ooa s PHE 214 Cb -0.13 -2.02 0.02 0.00 0.51 0.00 0.00 43.02 41.40 1ooa s PHE 214 CO -0.10 0.56 -0.07 0.99 0.70 0.00 0.00 175.22 177.30 1ooa s THR 215 N -0.49 0.75 -0.02 0.64 2.01 -0.40 -1.45 115.64 116.68 1ooa s THR 215 Ca 0.12 -0.23 -0.01 0.00 0.31 0.00 0.00 61.69 61.88 1ooa s THR 215 Cb -0.12 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 1ooa s THR 215 CO 0.02 0.28 0.06 0.00 -0.69 0.00 0.00 174.62 174.28 1ooa s ALA 216 N 0.94 3.50 -0.05 7.40 0.00 -1.26 -0.09 121.76 132.21 1ooa s ALA 216 Ca -0.10 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1ooa s ALA 216 Cb -0.15 -1.54 0.01 0.00 0.00 0.00 0.00 23.12 21.44 1ooa s ALA 216 CO 0.00 0.66 -0.13 -0.06 0.00 0.00 0.00 175.76 176.23 1ooa s PHE 217 N -1.12 1.46 0.00 0.00 0.08 0.27 -1.69 117.98 116.97 1ooa s PHE 217 Ca 0.20 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.80 1ooa s PHE 217 Cb -0.12 -1.03 -0.04 0.00 -0.57 0.00 0.00 43.02 41.27 1ooa s PHE 217 CO 0.11 -0.20 -0.00 -0.51 -0.10 0.00 0.00 175.22 174.51 1ooa s LEU 218 N 0.35 3.49 0.31 -0.37 1.43 0.18 -0.93 118.68 123.14 1ooa s LEU 218 Ca -0.09 -0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 1ooa s LEU 218 Cb -0.13 -2.01 -0.12 0.00 0.03 0.00 0.00 46.19 43.96 1ooa s LEU 218 CO 0.03 0.28 1.36 -0.81 0.23 0.00 0.00 176.35 177.43 1ooa n PRO 219 N 1.39 2.19 -0.43 1.29 -0.04 -1.26 -1.42 135.00 136.71 1ooa n PRO 219 Ca -0.15 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 1ooa n PRO 219 Cb 0.53 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1ooa n PRO 219 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ooa n ASP 220 N 1.22 0.00 -0.32 3.54 3.85 -0.81 -4.81 116.55 119.22 1ooa n ASP 220 Ca 0.07 -0.58 0.03 0.00 -0.71 0.00 0.00 54.79 53.60 1ooa n ASP 220 Cb 0.35 0.00 0.18 0.00 -1.35 0.00 0.00 41.12 40.30 1ooa n ASP 220 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1ooa h SER 221 N 0.00 0.82 1.68 -1.12 4.64 -1.95 -1.75 113.55 115.87 1ooa h SER 221 Ca 0.00 0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.29 1ooa h SER 221 Cb 0.00 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1ooa h SER 221 CO 0.00 0.48 -0.32 0.71 -0.87 0.00 0.00 176.83 176.84 1ooa h THR 222 N 0.93 0.54 0.00 2.95 1.35 -2.02 -3.47 112.91 113.19 1ooa h THR 222 Ca 0.42 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 1ooa h THR 222 Cb 0.32 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1ooa h THR 222 CO -0.22 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1ooa n GLY 223 N 1.18 0.77 3.72 5.82 0.00 -0.66 -5.08 105.19 110.93 1ooa n GLY 223 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1ooa n GLY 223 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ooa s SER 224 N -1.80 7.25 -1.07 1.61 0.01 -1.26 -4.50 113.70 113.94 1ooa s SER 224 Ca 0.00 1.87 -0.24 0.00 1.31 0.00 0.00 55.95 58.90 1ooa s SER 224 Cb 0.00 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 1ooa s SER 224 CO 0.00 -0.32 1.97 -0.36 0.41 0.00 0.00 173.24 174.94 1ooa s PHE 225 N 0.75 1.82 -0.01 2.43 0.40 -1.26 -1.92 117.98 120.19 1ooa s PHE 225 Ca 0.54 0.71 0.01 0.00 -0.60 0.00 0.00 56.93 57.58 1ooa s PHE 225 Cb -0.26 -3.94 -0.01 0.00 0.51 0.00 0.00 43.02 39.32 1ooa s PHE 225 CO 0.30 -1.35 0.02 0.25 0.70 0.00 0.00 175.22 175.13 1ooa n THR 226 N 7.95 0.00 -2.27 0.64 -2.24 -1.18 -4.77 114.28 112.42 1ooa n THR 226 Ca 0.43 -0.16 -0.43 0.00 -2.27 0.00 0.00 64.05 61.63 1ooa n THR 226 Cb 0.47 0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 69.31 1ooa n THR 226 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ooa s ARG 227 N -1.74 3.55 0.13 -0.78 0.52 -0.51 -4.85 118.95 115.27 1ooa s ARG 227 Ca -0.00 1.09 -0.18 0.00 -0.52 0.00 0.00 55.73 56.12 1ooa s ARG 227 Cb 0.00 -4.05 -0.07 0.00 0.52 0.00 0.00 34.95 31.35 1ooa s ARG 227 CO 0.02 -1.59 0.59 0.50 0.02 0.00 0.00 175.30 174.84 1ooa s ARG 228 N 5.04 4.13 0.21 3.54 3.52 -1.26 0.47 118.95 134.59 1ooa s ARG 228 Ca 0.65 0.67 0.08 0.00 -0.13 0.00 0.00 55.73 57.00 1ooa s ARG 228 Cb -0.16 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.13 1ooa s ARG 228 CO 0.32 0.54 0.05 -0.51 -0.81 0.00 0.00 175.30 174.89 1ooa s LEU 229 N -1.58 3.43 -0.24 -0.88 1.43 -0.68 -4.97 118.68 115.19 1ooa s LEU 229 Ca 0.35 -0.40 -0.36 0.00 -1.03 0.00 0.00 54.13 52.69 1ooa s LEU 229 Cb -0.17 -2.02 -0.12 0.00 0.03 0.00 0.00 46.19 43.90 1ooa s LEU 229 CO 0.19 0.04 1.97 -0.62 0.23 0.00 0.00 176.35 178.17 1ooa n GLU 230 N -0.54 1.51 -1.48 1.70 -0.58 -1.26 -4.50 120.64 115.49 1ooa n GLU 230 Ca -0.08 0.51 -0.32 0.00 -0.42 0.00 0.00 57.16 56.84 1ooa n GLU 230 Cb 0.57 -2.46 0.08 0.00 -0.57 0.00 0.00 31.44 29.05 1ooa n GLU 230 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1ooa s PRO 231 N 4.83 2.41 -0.06 3.49 0.04 -1.26 -4.51 135.00 139.94 1ooa s PRO 231 Ca 1.01 1.37 0.02 0.00 0.04 0.00 0.00 61.00 63.44 1ooa s PRO 231 Cb -0.84 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 31.81 1ooa s PRO 231 CO 0.54 -1.55 -0.12 0.54 0.04 0.00 0.00 177.00 176.45 1ooa s VAL 232 N -2.50 1.12 0.19 -0.36 0.11 -0.53 -4.97 120.40 113.45 1ooa s VAL 232 Ca 0.66 -0.47 -0.06 0.00 -2.93 0.00 0.00 61.98 59.17 1ooa s VAL 232 Cb -0.21 -1.02 -0.06 0.00 -1.53 0.00 0.00 36.38 33.57 1ooa s VAL 232 CO 0.48 0.35 0.45 0.68 -3.33 0.00 0.00 175.10 173.73 1ooa s VAL 233 N 0.62 5.07 0.60 2.04 -7.23 -1.26 -1.16 120.40 119.08 1ooa s VAL 233 Ca -0.14 0.18 0.06 0.00 -1.81 0.00 0.00 61.98 60.28 1ooa s VAL 233 Cb -0.15 -3.63 0.09 0.00 0.56 0.00 0.00 36.38 33.24 1ooa s VAL 233 CO 0.03 -0.04 0.83 -0.94 -0.31 0.00 0.00 175.10 174.67 1ooa s SER 234 N -2.49 4.95 1.13 4.85 1.04 0.90 -4.98 113.70 119.10 1ooa s SER 234 Ca 0.44 -0.64 -0.12 0.00 0.48 0.00 0.00 55.95 56.10 1ooa s SER 234 Cb -0.12 0.07 0.26 0.00 0.10 0.00 0.00 66.02 66.34 1ooa s SER 234 CO 0.24 -1.43 1.04 -1.81 0.98 0.00 0.00 173.24 172.27 1ooa s ASP 235 N -4.65 1.25 0.30 7.02 -0.00 -1.26 -4.58 116.67 114.75 1ooa s ASP 235 Ca 0.62 1.60 -0.19 0.00 -0.00 0.00 0.00 52.55 54.58 1ooa s ASP 235 Cb -0.06 -2.33 -0.09 0.00 -0.00 0.00 0.00 42.92 40.44 1ooa s ASP 235 CO 0.40 -4.04 0.79 0.00 -0.00 0.00 0.00 175.17 172.32 1ooa s ALA 236 N -2.50 3.30 -0.23 5.23 0.00 -1.26 -4.40 121.76 121.91 1ooa s ALA 236 Ca 0.68 0.22 -0.01 0.00 0.00 0.00 0.00 51.96 52.85 1ooa s ALA 236 Cb -0.24 -2.91 0.02 0.00 0.00 0.00 0.00 23.12 19.99 1ooa s ALA 236 CO 0.63 0.28 -0.10 0.42 0.00 0.00 0.00 175.76 176.99 1ooa s ILE 237 N -1.76 2.65 -0.20 0.00 1.01 0.59 -4.46 121.20 119.03 1ooa s ILE 237 Ca 0.50 -0.97 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 1ooa s ILE 237 Cb -0.14 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 1ooa s ILE 237 CO 0.19 0.31 0.22 -0.31 0.00 0.00 0.00 174.94 175.36 1ooa s TYR 238 N 1.32 3.39 0.08 3.97 2.02 -0.26 -1.97 117.35 125.89 1ooa s TYR 238 Ca 0.02 0.41 -0.31 0.00 -0.37 0.00 0.00 57.07 56.82 1ooa s TYR 238 Cb -0.15 -2.30 -0.08 0.00 -0.40 0.00 0.00 41.96 39.02 1ooa s TYR 238 CO -0.07 0.15 1.64 0.34 -1.57 0.00 0.00 175.55 176.04 1ooa s ASP 239 N 0.73 6.61 0.42 2.29 2.15 -0.35 -4.36 116.67 124.14 1ooa s ASP 239 Ca 0.12 2.50 0.29 0.00 0.43 0.00 0.00 52.55 55.89 1ooa s ASP 239 Cb -0.13 -2.57 1.24 0.00 -0.30 0.00 0.00 42.92 41.16 1ooa s ASP 239 CO 0.03 -0.87 1.87 0.77 -0.17 0.00 0.00 175.17 176.80 1ooa h SER 240 N 8.11 0.00 -0.49 -0.34 4.64 -1.43 -2.73 113.55 121.31 1ooa h SER 240 Ca -0.43 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.65 1ooa h SER 240 Cb 1.20 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.14 1ooa h SER 240 CO 0.93 0.00 0.08 0.29 -0.87 0.00 0.00 176.83 177.25 1ooa n LYS 241 N -2.68 1.97 -1.53 4.77 4.76 -1.26 -4.75 118.16 119.44 1ooa n LYS 241 Ca 0.01 -3.15 -0.33 0.00 -2.87 0.00 0.00 58.31 51.98 1ooa n LYS 241 Cb 0.25 -1.90 0.07 0.00 -1.84 0.00 0.00 35.03 31.61 1ooa n LYS 241 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ooa s ALA 242 N -3.25 2.31 0.23 7.82 0.00 -1.03 -4.91 121.76 122.93 1ooa s ALA 242 Ca 0.47 0.52 -0.31 0.00 0.00 0.00 0.00 51.96 52.65 1ooa s ALA 242 Cb 0.42 -3.33 -0.14 0.00 0.00 0.00 0.00 23.12 20.07 1ooa s ALA 242 CO 0.02 -1.56 1.29 -2.30 0.00 0.00 0.00 175.76 173.21 1ooa n PRO 243 N -2.83 1.72 -1.19 0.00 -0.02 -1.26 -1.44 135.00 129.98 1ooa n PRO 243 Ca 0.11 0.61 -0.06 0.00 -2.02 0.00 0.00 63.50 62.13 1ooa n PRO 243 Cb 0.52 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 1ooa n PRO 243 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ooa n ASN 244 N 1.95 -5.32 0.00 2.55 3.02 -1.26 -4.93 115.26 111.27 1ooa n ASN 244 Ca 0.12 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1ooa n ASN 244 Cb 0.30 -3.38 0.00 0.00 -0.61 0.00 0.00 39.78 36.09 1ooa n ASN 244 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ooa n ALA 245 N 1.12 -0.17 -3.87 5.41 0.00 -0.52 -4.14 120.51 118.34 1ooa n ALA 245 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 1ooa n ALA 245 Cb 0.47 0.21 -0.13 0.00 0.00 0.00 0.00 19.45 20.00 1ooa n ALA 245 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ooa s SER 246 N -2.51 4.12 0.00 0.00 0.15 -1.26 -4.97 113.70 109.23 1ooa s SER 246 Ca 0.00 -2.98 -0.25 0.00 0.70 0.00 0.00 55.95 53.42 1ooa s SER 246 Cb 0.00 -1.44 -0.18 0.00 -1.71 0.00 0.00 66.02 62.68 1ooa s SER 246 CO 0.00 -0.23 1.32 0.78 1.20 0.00 0.00 173.24 176.31 1ooa h ASN 247 N 6.45 -0.10 -4.01 5.45 -0.26 -1.89 -3.44 115.58 117.78 1ooa h ASN 247 Ca -0.03 -0.32 -0.54 0.00 -0.56 0.00 0.00 56.30 54.85 1ooa h ASN 247 Cb 0.89 0.03 0.11 0.00 -1.06 0.00 0.00 38.32 38.29 1ooa h ASN 247 CO 0.63 0.28 0.63 -0.76 -1.06 0.00 0.00 177.43 177.15 1ooa s LEU 248 N -9.44 4.02 -0.28 1.61 2.01 -1.26 -4.91 118.68 110.42 1ooa s LEU 248 Ca -0.15 2.76 -0.15 0.00 0.01 0.00 0.00 54.13 56.59 1ooa s LEU 248 Cb 0.02 -4.09 0.10 0.00 0.01 0.00 0.00 46.19 42.23 1ooa s LEU 248 CO 0.63 -1.25 0.75 -0.75 1.01 0.00 0.00 176.35 176.73 1ooa s LYS 249 N -2.62 0.62 -0.39 1.70 2.20 -1.26 -4.46 119.74 115.53 1ooa s LYS 249 Ca 0.65 1.13 -0.20 0.00 -0.36 0.00 0.00 55.97 57.19 1ooa s LYS 249 Cb -0.40 0.22 0.01 0.00 -1.51 0.00 0.00 37.83 36.15 1ooa s LYS 249 CO 0.50 -0.14 0.61 0.42 -0.36 0.00 0.00 175.35 176.38 1ooa s ILE 250 N 1.75 4.89 -0.05 5.43 1.01 -1.26 -1.50 121.20 131.46 1ooa s ILE 250 Ca -0.09 0.32 -0.23 0.00 0.00 0.00 0.00 60.65 60.65 1ooa s ILE 250 Cb -0.06 -4.11 -0.29 0.00 0.01 0.00 0.00 42.46 38.01 1ooa s ILE 250 CO -0.19 -0.42 0.91 0.58 0.00 0.00 0.00 174.94 175.83 1ooa h VAL 251 N 5.75 1.54 -2.11 2.92 2.07 -0.86 -3.49 116.25 122.07 1ooa h VAL 251 Ca -0.26 -2.43 0.08 0.00 0.82 0.00 0.00 66.70 64.90 1ooa h VAL 251 Cb 1.11 3.14 -0.17 0.00 -1.52 0.00 0.00 31.29 33.84 1ooa h VAL 251 CO 0.85 0.68 0.46 0.00 0.02 0.00 0.00 177.57 179.58 1ooa s ARG 252 N -2.53 0.81 -0.03 1.57 1.70 -1.02 -5.01 118.95 114.45 1ooa s ARG 252 Ca -0.14 -0.13 0.02 0.00 -0.47 0.00 0.00 55.73 55.00 1ooa s ARG 252 Cb 0.01 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.77 1ooa s ARG 252 CO 0.81 -0.32 -0.08 -1.64 -1.08 0.00 0.00 175.30 172.99 1ooa s MET 253 N -2.42 0.88 0.39 3.89 -1.94 -1.26 -0.50 119.30 118.34 1ooa s MET 253 Ca 0.01 -0.26 0.28 0.00 -1.71 0.00 0.00 55.69 54.01 1ooa s MET 253 Cb -0.01 -0.83 1.29 0.00 2.01 0.00 0.00 34.83 37.29 1ooa s MET 253 CO -0.04 0.09 1.84 0.38 -0.01 0.00 0.00 175.02 177.28 1ooa h ASP 254 N 6.45 0.00 -3.55 3.03 3.04 -1.71 -3.41 116.42 120.27 1ooa h ASP 254 Ca -0.33 0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.20 1ooa h ASP 254 Cb 1.17 0.00 -0.31 0.00 -1.04 0.00 0.00 39.33 39.15 1ooa h ASP 254 CO 0.49 0.00 -0.65 -0.13 -2.04 0.00 0.00 179.24 176.91 1ooa s ARG 255 N -3.55 0.05 -0.09 4.15 1.81 -1.26 -5.01 118.95 115.04 1ooa s ARG 255 Ca 0.01 0.24 0.13 0.00 -1.72 0.00 0.00 55.73 54.39 1ooa s ARG 255 Cb 0.09 -0.14 0.26 0.00 -0.45 0.00 0.00 34.95 34.70 1ooa s ARG 255 CO 0.39 -0.13 1.17 0.25 -0.68 0.00 0.00 175.30 176.30 1ooa n THR 256 N 3.89 1.65 -3.71 0.02 -2.24 -1.26 -4.98 114.28 107.65 1ooa n THR 256 Ca -0.23 -1.76 -0.11 0.00 -2.27 0.00 0.00 64.05 59.67 1ooa n THR 256 Cb 0.53 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.71 1ooa n THR 256 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ooa s ALA 257 N -2.22 -0.79 0.10 6.98 0.00 -1.26 -0.75 121.76 123.81 1ooa s ALA 257 Ca 0.25 0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.98 1ooa s ALA 257 Cb 0.20 0.41 0.09 0.00 0.00 0.00 0.00 23.12 23.82 1ooa s ALA 257 CO 0.04 -0.48 1.09 0.20 0.00 0.00 0.00 175.76 176.62 1ooa s GLY 258 N -2.25 -0.25 0.28 0.00 0.00 0.56 -4.92 107.32 100.75 1ooa s GLY 258 Ca -0.03 0.25 -0.29 0.00 0.00 0.00 0.00 44.72 44.65 1ooa s GLY 258 CO -0.05 0.53 1.07 0.00 0.00 0.00 0.00 173.10 174.64 1ooa h VAL 260 N 3.07 0.40 -0.20 0.00 -1.51 -1.59 -0.02 116.25 116.40 1ooa h VAL 260 Ca -0.46 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.01 1ooa h VAL 260 Cb 1.21 0.69 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 1ooa h VAL 260 CO 0.67 0.00 0.13 0.74 -1.23 0.00 0.00 177.57 177.88 1ooa h THR 261 N 0.00 1.04 0.00 7.19 2.02 -1.90 0.12 112.91 121.37 1ooa h THR 261 Ca 0.17 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1ooa h THR 261 Cb 0.94 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1ooa h THR 261 CO -0.00 0.04 0.00 0.61 0.37 0.00 0.00 175.52 176.54 1ooa n GLY 262 N -1.51 -1.80 2.63 2.16 0.00 -0.02 -4.42 105.19 102.23 1ooa n GLY 262 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1ooa n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ooa n GLY 263 N 0.00 0.32 3.74 -0.02 0.00 0.61 -4.89 105.19 104.94 1ooa n GLY 263 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1ooa n GLY 263 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ooa s GLU 264 N -0.83 4.32 0.22 1.61 2.02 -1.26 -4.69 118.70 120.09 1ooa s GLU 264 Ca 0.00 0.57 -0.30 0.00 0.02 0.00 0.00 54.97 55.27 1ooa s GLU 264 Cb 0.00 -3.40 -0.09 0.00 0.10 0.00 0.00 34.13 30.74 1ooa s GLU 264 CO 0.00 0.23 1.14 -2.00 0.02 0.00 0.00 175.26 174.65 1ooa s GLU 265 N 0.34 4.57 0.02 1.61 2.12 -1.26 -0.33 118.70 125.77 1ooa s GLU 265 Ca 0.29 1.82 0.02 0.00 0.36 0.00 0.00 54.97 57.46 1ooa s GLU 265 Cb -0.16 -3.23 -0.01 0.00 0.26 0.00 0.00 34.13 30.99 1ooa s GLU 265 CO 0.13 0.06 -0.07 0.42 -0.54 0.00 0.00 175.26 175.26 1ooa s ILE 266 N -0.54 0.56 -0.29 -3.70 1.01 0.19 -4.95 121.20 113.48 1ooa s ILE 266 Ca 0.49 -0.66 -0.09 0.00 0.00 0.00 0.00 60.65 60.39 1ooa s ILE 266 Cb -0.32 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.60 1ooa s ILE 266 CO 0.38 -0.09 0.12 -0.31 0.00 0.00 0.00 174.94 175.04 1ooa s TYR 267 N -0.71 3.15 -0.16 3.97 1.51 -1.26 -1.83 117.35 122.02 1ooa s TYR 267 Ca -0.03 -0.60 -0.01 0.00 -1.01 0.00 0.00 57.07 55.42 1ooa s TYR 267 Cb -0.06 -2.31 -0.01 0.00 -0.11 0.00 0.00 41.96 39.47 1ooa s TYR 267 CO 0.00 -0.45 -0.12 -1.17 -1.11 0.00 0.00 175.55 172.70 1ooa s LEU 268 N 1.60 2.68 -0.25 -1.29 0.20 -0.29 -1.65 118.68 119.67 1ooa s LEU 268 Ca 0.05 -0.38 -0.09 0.00 0.69 0.00 0.00 54.13 54.39 1ooa s LEU 268 Cb -0.17 -1.62 -0.04 0.00 -0.43 0.00 0.00 46.19 43.93 1ooa s LEU 268 CO 0.05 0.10 0.13 -0.76 -0.29 0.00 0.00 176.35 175.58 1ooa s LEU 269 N 0.74 3.82 0.41 -0.68 1.43 0.35 -0.32 118.68 124.43 1ooa s LEU 269 Ca -0.05 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1ooa s LEU 269 Cb -0.15 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1ooa s LEU 269 CO 0.01 0.01 0.10 0.00 0.23 0.00 0.00 176.35 176.71 1ooa s ASP 271 N -3.63 4.31 -0.03 0.00 1.01 -0.56 -4.51 116.67 113.26 1ooa s ASP 271 Ca 0.23 0.15 -0.40 0.00 0.71 0.00 0.00 52.55 53.24 1ooa s ASP 271 Cb 0.03 -0.60 -0.19 0.00 1.01 0.00 0.00 42.92 43.17 1ooa s ASP 271 CO 0.13 -1.91 1.20 1.17 0.21 0.00 0.00 175.17 175.97 1ooa n LYS 272 N -3.06 0.31 -4.04 8.23 4.81 -1.25 -4.69 118.16 118.46 1ooa n LYS 272 Ca 0.12 0.11 -0.07 0.00 -0.87 0.00 0.00 58.31 57.59 1ooa n LYS 272 Cb 0.60 -1.65 -0.09 0.00 0.02 0.00 0.00 35.03 33.91 1ooa n LYS 272 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1ooa s VAL 273 N 0.50 0.20 -0.41 3.15 -7.23 -0.55 -4.89 120.40 111.16 1ooa s VAL 273 Ca 0.91 -1.68 -0.14 0.00 -1.81 0.00 0.00 61.98 59.25 1ooa s VAL 273 Cb -1.21 -1.51 0.03 0.00 0.56 0.00 0.00 36.38 34.24 1ooa s VAL 273 CO 0.57 -0.90 0.29 -1.10 -0.31 0.00 0.00 175.10 173.65 1ooa s GLN 274 N -3.91 2.93 0.33 4.82 1.11 -1.26 -4.57 119.66 119.11 1ooa s GLN 274 Ca 0.07 -1.06 0.17 0.00 0.01 0.00 0.00 55.36 54.56 1ooa s GLN 274 Cb 0.07 -3.94 1.15 0.00 -1.01 0.00 0.00 33.01 29.29 1ooa s GLN 274 CO -0.10 -0.76 1.41 0.36 0.01 0.00 0.00 175.29 176.22 1ooa n LYS 275 N 5.13 -0.06 0.00 2.91 2.85 -1.26 0.11 118.16 127.84 1ooa n LYS 275 Ca -0.11 1.25 0.13 0.00 -1.05 0.00 0.00 58.31 58.52 1ooa n LYS 275 Cb 0.47 -2.21 0.39 0.00 -0.65 0.00 0.00 35.03 33.03 1ooa n LYS 275 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1ooa n ASP 276 N -5.05 1.02 -2.91 -5.58 8.00 -1.26 -4.28 116.55 106.48 1ooa n ASP 276 Ca 0.33 -0.90 -0.19 0.00 0.71 0.00 0.00 54.79 54.73 1ooa n ASP 276 Cb 1.11 0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 42.31 1ooa n ASP 276 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ooa n ASP 277 N -0.63 2.31 -3.65 -2.24 2.03 0.30 -4.97 116.55 109.71 1ooa n ASP 277 Ca 0.13 -3.18 -0.15 0.00 0.52 0.00 0.00 54.79 52.10 1ooa n ASP 277 Cb 0.35 -0.56 -0.07 0.00 -0.72 0.00 0.00 41.12 40.11 1ooa n ASP 277 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ooa s ILE 278 N -3.47 0.03 0.13 5.18 1.10 -1.16 -3.83 121.20 119.18 1ooa s ILE 278 Ca 0.40 -0.28 -0.18 0.00 -0.51 0.00 0.00 60.65 60.07 1ooa s ILE 278 Cb 0.37 -0.81 0.05 0.00 0.15 0.00 0.00 42.46 42.21 1ooa s ILE 278 CO -0.08 -0.15 0.47 0.00 -2.11 0.00 0.00 174.94 173.06 1ooa s GLN 279 N -1.43 1.12 -0.29 3.50 -2.07 -0.17 -4.84 119.66 115.49 1ooa s GLN 279 Ca -0.11 -0.60 -0.07 0.00 -1.82 0.00 0.00 55.36 52.76 1ooa s GLN 279 Cb -0.03 0.50 0.00 0.00 -1.09 0.00 0.00 33.01 32.40 1ooa s GLN 279 CO 0.06 -0.45 0.07 0.42 -1.32 0.00 0.00 175.29 174.07 1ooa s ILE 280 N -3.66 3.96 -0.18 3.63 -1.09 -1.26 -1.07 121.20 121.53 1ooa s ILE 280 Ca 0.02 -0.64 -0.06 0.00 -2.23 0.00 0.00 60.65 57.74 1ooa s ILE 280 Cb 0.01 -3.01 -0.03 0.00 -1.58 0.00 0.00 42.46 37.84 1ooa s ILE 280 CO -0.11 0.12 0.02 -0.60 -1.23 0.00 0.00 174.94 173.13 1ooa s ARG 281 N 1.51 3.80 -0.13 2.79 3.52 0.14 -0.81 118.95 129.77 1ooa s ARG 281 Ca 0.03 -0.44 -0.03 0.00 -0.13 0.00 0.00 55.73 55.16 1ooa s ARG 281 Cb -0.17 -3.08 -0.03 0.00 -1.56 0.00 0.00 34.95 30.11 1ooa s ARG 281 CO 0.02 0.21 -0.03 -0.06 -0.81 0.00 0.00 175.30 174.63 1ooa s PHE 282 N 0.49 3.04 0.04 5.12 0.08 0.21 -0.58 117.98 126.37 1ooa s PHE 282 Ca 0.00 -0.17 -0.05 0.00 0.12 0.00 0.00 56.93 56.83 1ooa s PHE 282 Cb -0.13 -1.90 -0.01 0.00 -0.57 0.00 0.00 43.02 40.41 1ooa s PHE 282 CO 0.02 0.10 0.09 1.52 -0.10 0.00 0.00 175.22 176.85 1ooa s TYR 283 N 0.00 0.20 -0.04 0.36 1.13 -0.11 -0.10 117.35 118.79 1ooa s TYR 283 Ca 0.01 -0.49 -0.02 0.00 -1.41 0.00 0.00 57.07 55.16 1ooa s TYR 283 Cb -0.13 -0.14 0.03 0.00 -1.10 0.00 0.00 41.96 40.62 1ooa s TYR 283 CO 0.03 -0.36 0.07 -2.00 -2.51 0.00 0.00 175.55 170.77 1ooa s GLU 284 N -2.53 -0.05 -0.24 -3.49 2.12 -0.79 -1.09 118.70 112.64 1ooa s GLU 284 Ca -0.06 0.35 -0.27 0.00 0.36 0.00 0.00 54.97 55.35 1ooa s GLU 284 Cb -0.02 -0.40 0.00 0.00 0.26 0.00 0.00 34.13 33.98 1ooa s GLU 284 CO -0.04 -0.28 0.96 -1.21 -0.54 0.00 0.00 175.26 174.15 1ooa s GLU 285 N 1.84 4.23 1.01 4.30 2.02 -1.26 -1.42 118.70 129.42 1ooa s GLU 285 Ca 0.00 1.19 -0.17 0.00 0.02 0.00 0.00 54.97 56.02 1ooa s GLU 285 Cb -0.12 -3.64 0.25 0.00 0.10 0.00 0.00 34.13 30.71 1ooa s GLU 285 CO -0.03 -0.59 1.01 0.39 0.02 0.00 0.00 175.26 176.06 1ooa n GLU 286 N 6.21 -2.39 0.35 1.61 -0.58 0.07 -5.00 120.64 120.91 1ooa n GLU 286 Ca 0.09 -1.60 -0.14 0.00 -0.42 0.00 0.00 57.16 55.09 1ooa n GLU 286 Cb 0.47 -1.36 -0.07 0.00 -0.57 0.00 0.00 31.44 29.90 1ooa n GLU 286 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1ooa h GLU 287 N 0.00 -0.91 0.00 3.49 4.57 -1.96 -3.43 114.58 116.35 1ooa h GLU 287 Ca -0.36 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1ooa h GLU 287 Cb 1.08 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1ooa h GLU 287 CO 0.24 -0.60 0.00 0.27 -1.18 0.00 0.00 179.01 177.74 1ooa n ASN 288 N -5.38 0.00 -1.69 1.04 6.94 -1.26 -4.83 115.26 110.08 1ooa n ASN 288 Ca -0.12 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.31 1ooa n ASN 288 Cb 0.37 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 37.89 1ooa n ASN 288 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ooa n GLY 289 N 3.16 3.40 3.94 4.83 0.00 -1.26 -4.93 105.19 114.32 1ooa n GLY 289 Ca 0.00 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 1ooa n GLY 289 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ooa s GLY 290 N -0.28 1.46 -0.13 -0.02 0.00 -1.26 -5.00 107.32 102.09 1ooa s GLY 290 Ca 0.32 -0.89 -0.04 0.00 0.00 0.00 0.00 44.72 44.11 1ooa s GLY 290 CO 0.06 -0.84 0.20 0.14 0.00 0.00 0.00 173.10 172.66 1ooa s VAL 291 N -2.18 -0.31 0.28 1.40 1.01 -1.26 -0.75 120.40 118.59 1ooa s VAL 291 Ca 0.39 0.19 -0.24 0.00 0.00 0.00 0.00 61.98 62.32 1ooa s VAL 291 Cb -0.10 -0.44 -0.09 0.00 0.00 0.00 0.00 36.38 35.75 1ooa s VAL 291 CO 0.33 0.03 0.87 0.86 0.00 0.00 0.00 175.10 177.19 1ooa s TRP 292 N 2.33 3.71 0.02 5.22 -0.00 -0.50 -4.92 118.94 124.78 1ooa s TRP 292 Ca 0.04 1.66 0.03 0.00 -0.00 0.00 0.00 56.10 57.83 1ooa s TRP 292 Cb -0.13 -2.82 -0.01 0.00 -0.00 0.00 0.00 33.47 30.50 1ooa s TRP 292 CO -0.08 0.28 -0.10 -1.21 -0.00 0.00 0.00 176.95 175.84 1ooa s GLU 293 N -1.93 0.70 -0.03 5.86 2.02 -1.26 -1.88 118.70 122.18 1ooa s GLU 293 Ca 0.47 -0.52 -0.12 0.00 0.02 0.00 0.00 54.97 54.81 1ooa s GLU 293 Cb -0.19 -0.65 0.02 0.00 0.10 0.00 0.00 34.13 33.42 1ooa s GLU 293 CO 0.23 0.16 0.28 0.20 0.02 0.00 0.00 175.26 176.15 1ooa s GLY 294 N -0.76 -0.13 -0.05 -1.39 0.00 0.86 -4.99 107.32 100.86 1ooa s GLY 294 Ca -0.00 0.36 0.07 0.00 0.00 0.00 0.00 44.72 45.15 1ooa s GLY 294 CO 0.00 0.19 -0.25 -1.36 0.00 0.00 0.00 173.10 171.68 1ooa s PHE 295 N -0.99 2.36 0.46 1.90 0.08 -1.26 0.67 117.98 121.20 1ooa s PHE 295 Ca -0.11 -0.63 -0.24 0.00 0.12 0.00 0.00 56.93 56.07 1ooa s PHE 295 Cb -0.05 -1.54 -0.07 0.00 -0.57 0.00 0.00 43.02 40.78 1ooa s PHE 295 CO 0.03 -0.17 1.32 0.20 -0.10 0.00 0.00 175.22 176.50 1ooa s GLY 296 N -0.27 2.89 -0.26 4.36 0.00 0.01 -4.19 107.32 109.86 1ooa s GLY 296 Ca 0.00 1.26 -0.11 0.00 0.00 0.00 0.00 44.72 45.87 1ooa s GLY 296 CO 0.02 1.81 0.20 -0.35 0.00 0.00 0.00 173.10 174.78 1ooa s ASP 297 N -0.86 6.10 0.09 1.64 2.15 0.37 -4.65 116.67 121.51 1ooa s ASP 297 Ca 0.63 0.09 -0.27 0.00 0.43 0.00 0.00 52.55 53.43 1ooa s ASP 297 Cb -0.38 -2.12 0.08 0.00 -0.30 0.00 0.00 42.92 40.20 1ooa s ASP 297 CO 0.48 -0.01 1.08 0.72 -0.17 0.00 0.00 175.17 177.26 1ooa s PHE 298 N 1.45 -0.10 0.28 -5.34 -0.71 -1.26 -1.01 117.98 111.28 1ooa s PHE 298 Ca 0.08 -0.13 0.09 0.00 -1.04 0.00 0.00 56.93 55.93 1ooa s PHE 298 Cb -0.15 0.60 -0.06 0.00 -1.21 0.00 0.00 43.02 42.21 1ooa s PHE 298 CO 0.08 -0.63 -0.12 -1.54 -1.34 0.00 0.00 175.22 171.67 1ooa s SER 299 N -2.94 3.22 0.47 1.98 1.04 -1.26 -5.02 113.70 111.19 1ooa s SER 299 Ca 0.13 -1.12 0.28 0.00 0.48 0.00 0.00 55.95 55.73 1ooa s SER 299 Cb 0.01 -0.25 1.35 0.00 0.10 0.00 0.00 66.02 67.23 1ooa s SER 299 CO -0.00 -0.17 1.78 -0.65 0.98 0.00 0.00 173.24 175.18 1ooa h PRO 300 N 2.26 0.17 0.00 4.02 0.11 -1.97 0.40 132.00 136.98 1ooa h PRO 300 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1ooa h PRO 300 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ooa h PRO 300 CO 0.65 0.11 0.00 1.79 -0.21 0.00 0.00 178.00 180.34 1ooa h THR 301 N 0.17 0.00 -0.00 -1.15 1.35 -1.95 -1.94 112.91 109.39 1ooa h THR 301 Ca 0.60 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 66.15 1ooa h THR 301 Cb 1.97 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1ooa h THR 301 CO -0.16 0.00 -0.15 0.47 -0.25 0.00 0.00 175.52 175.43 1ooa n ASP 302 N -2.72 0.19 -4.55 5.36 9.92 0.14 -4.63 116.55 120.26 1ooa n ASP 302 Ca 0.01 0.14 -0.43 0.00 -0.53 0.00 0.00 54.79 53.98 1ooa n ASP 302 Cb 0.23 -0.24 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1ooa n ASP 302 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ooa s VAL 303 N -2.92 4.30 -0.53 2.53 1.01 -0.73 -2.44 120.40 121.63 1ooa s VAL 303 Ca 0.16 0.60 -0.23 0.00 0.00 0.00 0.00 61.98 62.51 1ooa s VAL 303 Cb 0.19 -4.57 0.04 0.00 0.00 0.00 0.00 36.38 32.04 1ooa s VAL 303 CO 0.57 -1.11 0.86 -2.28 0.00 0.00 0.00 175.10 173.14 1ooa s HIS 304 N 4.20 2.87 -1.46 5.22 2.46 0.08 -4.34 115.29 124.32 1ooa s HIS 304 Ca 0.36 -0.09 0.00 0.00 0.47 0.00 0.00 55.06 55.80 1ooa s HIS 304 Cb -0.10 -3.91 0.00 0.00 -0.13 0.00 0.00 32.58 28.43 1ooa s HIS 304 CO 0.23 -1.24 0.00 0.54 -2.47 0.00 0.00 174.74 171.80 1ooa n ARG 305 N 7.11 -1.91 -0.65 2.88 5.12 -1.26 -2.17 116.66 125.77 1ooa n ARG 305 Ca 0.00 0.82 0.00 0.00 -1.93 0.00 0.00 57.85 56.75 1ooa n ARG 305 Cb 0.47 -5.44 0.00 0.00 -1.16 0.00 0.00 32.46 26.33 1ooa n ARG 305 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1ooa n GLN 306 N -2.86 -0.05 -0.06 5.56 6.02 -1.26 -4.77 117.38 119.96 1ooa n GLN 306 Ca -0.20 0.01 0.05 0.00 -0.01 0.00 0.00 57.00 56.86 1ooa n GLN 306 Cb 0.64 -3.96 0.08 0.00 1.02 0.00 0.00 30.24 28.03 1ooa n GLN 306 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ooa n PHE 307 N -2.01 0.06 -3.57 1.08 3.72 -0.92 -1.48 117.46 114.33 1ooa n PHE 307 Ca 0.00 -0.74 -0.09 0.00 -0.05 0.00 0.00 57.45 56.57 1ooa n PHE 307 Cb 0.01 -0.10 -0.04 0.00 -0.94 0.00 0.00 39.48 38.41 1ooa n PHE 307 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ooa s ALA 308 N -1.92 -1.94 -0.03 4.37 0.00 -1.16 -2.37 121.76 118.72 1ooa s ALA 308 Ca 0.17 1.49 -0.01 0.00 0.00 0.00 0.00 51.96 53.62 1ooa s ALA 308 Cb 0.14 -0.47 0.03 0.00 0.00 0.00 0.00 23.12 22.82 1ooa s ALA 308 CO 0.02 -0.41 0.05 0.42 0.00 0.00 0.00 175.76 175.84 1ooa s ILE 309 N -1.67 -0.05 -0.29 0.00 1.01 0.56 -0.74 121.20 120.03 1ooa s ILE 309 Ca 0.02 0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.77 1ooa s ILE 309 Cb -0.01 -0.10 -0.00 0.00 0.01 0.00 0.00 42.46 42.36 1ooa s ILE 309 CO -0.02 0.07 0.09 -0.69 0.00 0.00 0.00 174.94 174.40 1ooa s VAL 310 N 0.91 4.20 0.27 2.92 1.01 -1.02 -1.14 120.40 127.56 1ooa s VAL 310 Ca -0.07 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1ooa s VAL 310 Cb -0.11 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1ooa s VAL 310 CO -0.03 0.15 0.17 0.72 0.00 0.00 0.00 175.10 176.11 1ooa s PHE 311 N 1.56 1.49 -0.09 5.22 -0.71 -0.76 -4.78 117.98 119.91 1ooa s PHE 311 Ca 0.04 -1.43 0.02 0.00 -1.04 0.00 0.00 56.93 54.52 1ooa s PHE 311 Cb -0.17 -0.73 -0.02 0.00 -1.21 0.00 0.00 43.02 40.89 1ooa s PHE 311 CO 0.04 -0.63 -0.13 0.15 -1.34 0.00 0.00 175.22 173.31 1ooa s LYS 312 N -3.86 2.92 0.52 1.99 1.02 -0.18 0.52 119.74 122.67 1ooa s LYS 312 Ca 0.38 -0.67 -0.22 0.00 0.02 0.00 0.00 55.97 55.47 1ooa s LYS 312 Cb 0.05 -2.52 -0.06 0.00 -0.52 0.00 0.00 37.83 34.79 1ooa s LYS 312 CO 0.18 0.45 1.33 0.95 -0.92 0.00 0.00 175.35 177.33 1ooa s THR 313 N -0.26 2.28 0.66 2.17 -4.23 0.55 -0.48 115.64 116.34 1ooa s THR 313 Ca 0.02 0.22 -0.11 0.00 -1.18 0.00 0.00 61.69 60.64 1ooa s THR 313 Cb -0.13 -3.11 -0.01 0.00 1.34 0.00 0.00 72.50 70.59 1ooa s THR 313 CO 0.03 0.00 1.06 -2.16 -0.54 0.00 0.00 174.62 173.00 1ooa s PRO 314 N -2.80 3.16 0.30 3.99 0.04 -1.26 -0.29 135.00 138.14 1ooa s PRO 314 Ca 0.68 0.54 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 1ooa s PRO 314 Cb -0.38 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 31.99 1ooa s PRO 314 CO 0.46 -0.82 1.15 0.21 0.04 0.00 0.00 177.00 178.04 1ooa s LYS 315 N -5.26 4.55 0.81 4.56 2.20 -1.26 -4.19 119.74 121.14 1ooa s LYS 315 Ca 0.56 1.90 -0.12 0.00 -0.36 0.00 0.00 55.97 57.96 1ooa s LYS 315 Cb -0.11 -3.13 0.08 0.00 -1.51 0.00 0.00 37.83 33.15 1ooa s LYS 315 CO 0.52 0.10 1.10 -0.47 -0.36 0.00 0.00 175.35 176.24 1ooa s TYR 316 N -1.17 2.81 0.14 4.03 5.04 0.40 -4.95 117.35 123.64 1ooa s TYR 316 Ca 0.46 1.10 -0.26 0.00 -2.44 0.00 0.00 57.07 55.93 1ooa s TYR 316 Cb -0.34 -3.16 -0.02 0.00 0.35 0.00 0.00 41.96 38.79 1ooa s TYR 316 CO 0.44 -1.83 1.61 -0.22 -1.34 0.00 0.00 175.55 174.20 1ooa h LYS 317 N -1.13 -0.39 -4.65 4.97 3.64 -1.95 -3.38 116.57 113.69 1ooa h LYS 317 Ca -0.47 0.03 -0.65 0.00 -1.27 0.00 0.00 60.65 58.28 1ooa h LYS 317 Cb 1.28 0.09 -0.38 0.00 -0.41 0.00 0.00 32.23 32.80 1ooa h LYS 317 CO 0.60 -0.26 -0.77 0.34 -2.27 0.00 0.00 179.45 177.09 1ooa s ASP 318 N -4.92 4.44 0.00 4.20 -1.08 -1.26 -4.97 116.67 113.08 1ooa s ASP 318 Ca -0.15 -1.64 0.05 0.00 -0.52 0.00 0.00 52.55 50.28 1ooa s ASP 318 Cb 0.10 -1.48 0.29 0.00 -1.46 0.00 0.00 42.92 40.38 1ooa s ASP 318 CO 0.66 -0.28 1.05 1.33 0.52 0.00 0.00 175.17 178.45 1ooa n VAL 319 N 4.43 0.00 -1.08 1.11 0.24 -1.26 -3.19 118.33 118.58 1ooa n VAL 319 Ca -0.07 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.32 1ooa n VAL 319 Cb 0.42 -0.17 0.19 0.00 -1.47 0.00 0.00 33.84 32.82 1ooa n VAL 319 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1ooa n ASN 320 N -0.59 2.93 -4.77 -1.34 3.02 -1.26 -4.75 115.26 108.50 1ooa n ASN 320 Ca 0.04 -3.12 -0.34 0.00 -0.03 0.00 0.00 54.58 51.12 1ooa n ASN 320 Cb 0.02 -0.49 0.03 0.00 -0.61 0.00 0.00 39.78 38.73 1ooa n ASN 320 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1ooa s ILE 321 N -2.89 3.10 -0.03 2.41 -4.36 -1.19 -4.95 121.20 113.29 1ooa s ILE 321 Ca 0.37 0.58 0.17 0.00 -0.26 0.00 0.00 60.65 61.51 1ooa s ILE 321 Cb 0.31 -3.14 -0.27 0.00 1.25 0.00 0.00 42.46 40.62 1ooa s ILE 321 CO 0.05 -0.25 0.37 0.35 0.24 0.00 0.00 174.94 175.70 1ooa n THR 322 N -2.00 0.03 -4.39 8.37 -2.24 -1.26 -4.61 114.28 108.19 1ooa n THR 322 Ca 0.11 -0.40 -0.28 0.00 -2.27 0.00 0.00 64.05 61.21 1ooa n THR 322 Cb 0.51 0.09 -0.12 0.00 -2.10 0.00 0.00 70.33 68.71 1ooa n THR 322 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ooa s LYS 323 N -3.18 1.49 0.65 -0.78 1.02 -1.26 -4.85 119.74 112.83 1ooa s LYS 323 Ca -0.06 -1.37 -0.18 0.00 0.02 0.00 0.00 55.97 54.38 1ooa s LYS 323 Cb 0.11 -1.92 -0.02 0.00 -0.52 0.00 0.00 37.83 35.49 1ooa s LYS 323 CO 0.72 0.44 1.14 -0.35 -0.92 0.00 0.00 175.35 176.38 1ooa n PRO 324 N 0.72 0.92 -4.34 -1.68 -0.04 -1.26 -4.72 135.00 124.59 1ooa n PRO 324 Ca -0.16 0.37 -0.31 0.00 -0.04 0.00 0.00 63.50 63.35 1ooa n PRO 324 Cb 0.54 -2.37 -0.16 0.00 -0.04 0.00 0.00 33.50 31.46 1ooa n PRO 324 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ooa s ALA 325 N -1.51 2.08 -0.14 0.55 0.00 0.62 -4.98 121.76 118.38 1ooa s ALA 325 Ca 0.79 -1.02 -0.21 0.00 0.00 0.00 0.00 51.96 51.53 1ooa s ALA 325 Cb -0.38 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 1ooa s ALA 325 CO 0.44 -0.20 0.62 0.45 0.00 0.00 0.00 175.76 177.06 1ooa s SER 326 N 1.12 6.78 0.00 0.00 0.15 -1.26 -1.22 113.70 119.27 1ooa s SER 326 Ca -0.01 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.58 1ooa s SER 326 Cb -0.14 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1ooa s SER 326 CO -0.07 -0.16 0.00 1.33 1.20 0.00 0.00 173.24 175.54 1ooa n VAL 327 N 4.17 0.00 -4.12 4.45 0.24 0.80 -4.98 118.33 118.89 1ooa n VAL 327 Ca -0.03 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.14 1ooa n VAL 327 Cb 0.51 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.77 1ooa n VAL 327 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1ooa s PHE 328 N -0.07 0.87 0.00 6.34 0.08 -0.25 -1.97 117.98 122.98 1ooa s PHE 328 Ca 0.00 -0.60 0.05 0.00 0.12 0.00 0.00 56.93 56.50 1ooa s PHE 328 Cb 0.00 -0.50 -0.01 0.00 -0.57 0.00 0.00 43.02 41.94 1ooa s PHE 328 CO 0.00 -0.06 -0.15 0.08 -0.10 0.00 0.00 175.22 175.00 1ooa s VAL 329 N -1.97 1.15 0.04 -0.44 1.01 0.69 -0.93 120.40 119.94 1ooa s VAL 329 Ca -0.02 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 1ooa s VAL 329 Cb -0.06 -0.97 0.04 0.00 0.00 0.00 0.00 36.38 35.38 1ooa s VAL 329 CO -0.00 0.25 0.41 0.00 0.00 0.00 0.00 175.10 175.75 1ooa s GLN 330 N -0.54 0.90 0.32 2.72 -2.07 0.25 -0.87 119.66 120.39 1ooa s GLN 330 Ca 0.05 -0.35 -0.17 0.00 -1.82 0.00 0.00 55.36 53.06 1ooa s GLN 330 Cb -0.06 0.40 -0.09 0.00 -1.09 0.00 0.00 33.01 32.17 1ooa s GLN 330 CO -0.00 -0.31 0.78 -0.51 -1.32 0.00 0.00 175.29 173.94 1ooa s LEU 331 N -1.96 4.10 -0.12 2.60 1.43 -1.26 -0.68 118.68 122.79 1ooa s LEU 331 Ca -0.06 1.41 -0.08 0.00 -1.03 0.00 0.00 54.13 54.37 1ooa s LEU 331 Cb -0.01 -4.07 0.04 0.00 0.03 0.00 0.00 46.19 42.18 1ooa s LEU 331 CO -0.02 -0.18 0.29 -0.60 0.23 0.00 0.00 176.35 176.07 1ooa s ARG 332 N -2.79 0.29 -0.17 1.70 3.52 -0.23 -1.73 118.95 119.53 1ooa s ARG 332 Ca 0.53 0.53 -0.22 0.00 -0.13 0.00 0.00 55.73 56.44 1ooa s ARG 332 Cb -0.12 0.00 -0.02 0.00 -1.56 0.00 0.00 34.95 33.26 1ooa s ARG 332 CO 0.18 -0.12 0.69 0.50 -0.81 0.00 0.00 175.30 175.74 1ooa s ARG 333 N 0.87 4.26 0.30 5.12 3.52 0.47 -1.00 118.95 132.49 1ooa s ARG 333 Ca -0.06 0.75 0.01 0.00 -0.13 0.00 0.00 55.73 56.30 1ooa s ARG 333 Cb -0.07 -3.56 0.47 0.00 -1.56 0.00 0.00 34.95 30.23 1ooa s ARG 333 CO -0.06 -0.22 1.83 0.87 -0.81 0.00 0.00 175.30 176.91 1ooa h LYS 334 N 7.34 0.69 0.00 5.12 1.57 -1.89 -0.17 116.57 129.24 1ooa h LYS 334 Ca -0.32 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1ooa h LYS 334 Cb 1.15 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1ooa h LYS 334 CO 0.79 0.68 0.00 0.45 -0.57 0.00 0.00 179.45 180.80 1ooa n SER 335 N -4.26 0.00 -1.33 0.86 2.88 -1.26 -3.90 113.62 106.61 1ooa n SER 335 Ca 0.03 0.54 0.08 0.00 -1.33 0.00 0.00 58.87 58.18 1ooa n SER 335 Cb 0.25 -0.04 0.31 0.00 -0.75 0.00 0.00 64.21 63.99 1ooa n SER 335 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1ooa n ASP 336 N -0.92 4.51 -1.70 -3.46 5.68 -1.25 -4.96 116.55 114.44 1ooa n ASP 336 Ca 0.00 -2.69 -0.21 0.00 -0.50 0.00 0.00 54.79 51.39 1ooa n ASP 336 Cb 0.00 -0.55 -0.08 0.00 -1.14 0.00 0.00 41.12 39.35 1ooa n ASP 336 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1ooa n LEU 337 N 0.42 -1.58 -4.76 -2.12 4.77 -0.07 -4.96 117.00 108.70 1ooa n LEU 337 Ca 0.23 0.46 -0.38 0.00 -0.03 0.00 0.00 56.01 56.28 1ooa n LEU 337 Cb 0.91 -2.88 0.01 0.00 -2.33 0.00 0.00 43.42 39.13 1ooa n LEU 337 CO 0.21 -0.99 0.94 -1.61 -1.33 0.00 0.00 177.39 174.61 1ooa s GLU 338 N -3.93 3.62 0.11 3.23 0.41 -1.24 -4.72 118.70 116.19 1ooa s GLU 338 Ca 0.00 2.10 0.04 0.00 -0.41 0.00 0.00 54.97 56.69 1ooa s GLU 338 Cb 0.00 -2.49 -0.04 0.00 -1.78 0.00 0.00 34.13 29.82 1ooa s GLU 338 CO 0.00 -0.76 -0.10 0.95 -0.49 0.00 0.00 175.26 174.86 1ooa s THR 339 N -1.35 0.98 0.45 3.63 -4.23 -1.26 -0.40 115.64 113.46 1ooa s THR 339 Ca 0.64 -1.82 0.03 0.00 -1.18 0.00 0.00 61.69 59.35 1ooa s THR 339 Cb -0.37 -1.57 0.01 0.00 1.34 0.00 0.00 72.50 71.91 1ooa s THR 339 CO 0.45 -0.67 0.65 -0.94 -0.54 0.00 0.00 174.62 173.57 1ooa s SER 340 N -2.77 5.70 0.50 3.99 1.04 -0.70 -4.71 113.70 116.75 1ooa s SER 340 Ca 0.10 0.04 -0.23 0.00 0.48 0.00 0.00 55.95 56.34 1ooa s SER 340 Cb 0.00 -1.21 -0.07 0.00 0.10 0.00 0.00 66.02 64.84 1ooa s SER 340 CO -0.01 -0.76 1.23 -0.62 0.98 0.00 0.00 173.24 174.06 1ooa n GLU 341 N -2.03 1.62 -1.81 4.02 -0.58 -1.26 -4.64 120.64 115.96 1ooa n GLU 341 Ca 0.03 0.59 -0.31 0.00 -0.42 0.00 0.00 57.16 57.05 1ooa n GLU 341 Cb 0.58 -2.39 0.02 0.00 -0.57 0.00 0.00 31.44 29.08 1ooa n GLU 341 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1ooa s PRO 342 N -2.54 3.42 0.03 3.49 0.04 -1.26 -4.76 135.00 133.42 1ooa s PRO 342 Ca 0.68 0.82 0.05 0.00 0.04 0.00 0.00 61.00 62.59 1ooa s PRO 342 Cb -0.46 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.00 1ooa s PRO 342 CO 0.53 -0.71 -0.14 0.15 0.04 0.00 0.00 177.00 176.87 1ooa s LYS 343 N -5.07 0.94 0.45 4.56 1.02 -0.05 -4.92 119.74 116.68 1ooa s LYS 343 Ca 0.56 -0.70 -0.23 0.00 0.02 0.00 0.00 55.97 55.62 1ooa s LYS 343 Cb -0.12 -0.93 -0.07 0.00 -0.52 0.00 0.00 37.83 36.19 1ooa s LYS 343 CO 0.53 0.23 1.17 -1.25 -0.92 0.00 0.00 175.35 175.11 1ooa s PRO 344 N -0.99 3.78 -0.02 -1.68 0.04 -1.26 -0.23 135.00 134.64 1ooa s PRO 344 Ca 0.02 1.79 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 1ooa s PRO 344 Cb -0.07 -2.43 0.01 0.00 0.04 0.00 0.00 34.50 32.05 1ooa s PRO 344 CO 0.01 -0.54 0.06 0.12 0.04 0.00 0.00 177.00 176.69 1ooa s PHE 345 N -1.53 -0.05 -0.25 0.56 5.36 -0.83 -4.80 117.98 116.44 1ooa s PHE 345 Ca 0.63 0.17 -0.05 0.00 -0.96 0.00 0.00 56.93 56.72 1ooa s PHE 345 Cb -0.29 -0.04 -0.01 0.00 -0.34 0.00 0.00 43.02 42.34 1ooa s PHE 345 CO 0.35 -0.05 0.02 -1.17 -1.46 0.00 0.00 175.22 172.91 1ooa s LEU 346 N 0.35 3.28 -0.17 6.12 2.96 0.07 -0.14 118.68 131.15 1ooa s LEU 346 Ca -0.03 -0.42 -0.14 0.00 -0.22 0.00 0.00 54.13 53.32 1ooa s LEU 346 Cb -0.04 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 1ooa s LEU 346 CO -0.01 -0.06 0.32 -0.31 -1.32 0.00 0.00 176.35 174.96 1ooa s TYR 347 N 1.52 3.45 0.18 5.38 2.02 -0.36 -0.32 117.35 129.22 1ooa s TYR 347 Ca 0.05 0.61 0.10 0.00 -0.37 0.00 0.00 57.07 57.46 1ooa s TYR 347 Cb -0.15 -2.38 -0.04 0.00 -0.40 0.00 0.00 41.96 38.98 1ooa s TYR 347 CO 0.00 0.19 -0.21 1.52 -1.57 0.00 0.00 175.55 175.48 1ooa s TYR 348 N 0.63 2.04 0.93 2.71 -0.85 0.16 -0.28 117.35 122.68 1ooa s TYR 348 Ca 0.17 -0.42 -0.11 0.00 -0.52 0.00 0.00 57.07 56.20 1ooa s TYR 348 Cb -0.13 -1.00 0.15 0.00 0.38 0.00 0.00 41.96 41.36 1ooa s TYR 348 CO 0.05 0.42 1.12 -1.25 -1.52 0.00 0.00 175.55 174.36 1ooa s PRO 349 N -2.78 0.91 0.00 -3.49 0.04 -1.26 -1.54 135.00 126.88 1ooa s PRO 349 Ca 0.18 1.33 0.28 0.00 0.04 0.00 0.00 61.00 62.83 1ooa s PRO 349 Cb -0.07 -1.73 0.95 0.00 0.04 0.00 0.00 34.50 33.69 1ooa s PRO 349 CO 0.08 -2.63 1.69 -0.85 0.04 0.00 0.00 177.00 175.33