#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5l s PRO 42 N 0.00 2.40 -0.30 -0.67 0.02 -1.26 -4.57 135.00 130.62 3h5l s PRO 42 Ca 0.00 1.79 -0.15 0.00 0.02 0.00 0.00 61.00 62.65 3h5l s PRO 42 Cb 0.00 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.63 3h5l s PRO 42 CO 0.00 -1.64 0.39 0.08 -0.33 0.00 0.00 177.00 175.49 3h5l s VAL 43 N -1.85 5.15 -0.27 3.83 1.01 0.50 -4.94 120.40 123.83 3h5l s VAL 43 Ca 0.75 0.37 -0.19 0.00 0.00 0.00 0.00 61.98 62.92 3h5l s VAL 43 Cb -0.30 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 3h5l s VAL 43 CO 0.42 0.03 0.58 -0.69 0.00 0.00 0.00 175.10 175.44 3h5l s VAL 44 N 2.09 5.02 -0.15 2.92 1.01 -1.26 -0.70 120.40 129.33 3h5l s VAL 44 Ca 0.14 0.97 -0.02 0.00 0.00 0.00 0.00 61.98 63.07 3h5l s VAL 44 Cb -0.16 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 3h5l s VAL 44 CO 0.11 0.03 -0.08 -0.63 0.00 0.00 0.00 175.10 174.53 3h5l s ILE 45 N 2.43 3.47 -0.09 2.22 -1.09 -0.07 -0.94 121.20 127.14 3h5l s ILE 45 Ca 0.24 -0.51 -0.03 0.00 -2.23 0.00 0.00 60.65 58.12 3h5l s ILE 45 Cb -0.15 -2.50 -0.04 0.00 -1.58 0.00 0.00 42.46 38.19 3h5l s ILE 45 CO 0.09 0.50 0.06 -0.83 -1.23 0.00 0.00 174.94 173.53 3h5l s GLY 46 N 0.44 1.98 -0.26 6.18 0.00 -0.24 -1.40 107.32 114.02 3h5l s GLY 46 Ca -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 43.90 3h5l s GLY 46 CO 0.04 -0.53 0.01 0.00 0.00 0.00 0.00 173.10 172.62 3h5l s PRO 48 N 1.48 3.90 0.02 0.00 0.04 -1.26 -1.95 135.00 137.23 3h5l s PRO 48 Ca 0.01 0.52 -0.03 0.00 0.04 0.00 0.00 61.00 61.54 3h5l s PRO 48 Cb -0.18 -3.75 -0.01 0.00 0.04 0.00 0.00 34.50 30.59 3h5l s PRO 48 CO -0.12 -0.74 0.04 0.00 0.04 0.00 0.00 177.00 176.22 3h5l s ALA 49 N 3.03 -0.05 -1.04 8.56 0.00 -0.56 -4.60 121.76 127.09 3h5l s ALA 49 Ca 0.33 -0.43 -0.21 0.00 0.00 0.00 0.00 51.96 51.65 3h5l s ALA 49 Cb -0.14 0.14 0.08 0.00 0.00 0.00 0.00 23.12 23.21 3h5l s ALA 49 CO 0.14 -0.19 1.40 -1.25 0.00 0.00 0.00 175.76 175.85 3h5l s PRO 50 N -1.55 3.67 0.21 0.00 0.04 -1.26 -1.28 135.00 134.83 3h5l s PRO 50 Ca -0.14 -1.49 0.25 0.00 0.04 0.00 0.00 61.00 59.66 3h5l s PRO 50 Cb -0.08 -5.24 0.48 0.00 0.04 0.00 0.00 34.50 29.69 3h5l s PRO 50 CO -0.00 -2.07 1.50 -0.07 0.04 0.00 0.00 177.00 176.39 3h5l h LEU 51 N 11.94 0.00 -8.93 -3.56 3.38 -1.86 -3.20 115.31 113.08 3h5l h LEU 51 Ca 0.23 -0.08 -0.38 0.00 0.09 0.00 0.00 57.88 57.73 3h5l h LEU 51 Cb 0.99 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.60 3h5l h LEU 51 CO 1.34 0.04 -0.63 0.42 0.09 0.00 0.00 178.44 179.69 3h5l s THR 52 N -3.17 0.86 0.00 0.22 -4.23 -1.26 -4.74 115.64 103.32 3h5l s THR 52 Ca 0.07 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 3h5l s THR 52 Cb 0.11 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.44 3h5l s THR 52 CO 0.68 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 3h5l n GLY 53 N -0.47 -1.88 0.27 3.99 0.00 -1.26 -2.41 105.19 103.42 3h5l n GLY 53 Ca -0.03 -1.65 0.14 0.00 0.00 0.00 0.00 46.02 44.49 3h5l n GLY 53 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3h5l h ILE 54 N 0.00 0.38 -0.34 -0.61 3.07 -1.87 -1.67 117.51 116.48 3h5l h ILE 54 Ca 0.00 -0.59 -0.17 0.00 1.55 0.00 0.00 64.86 65.65 3h5l h ILE 54 Cb 0.00 1.43 -0.10 0.00 -0.27 0.00 0.00 36.82 37.88 3h5l h ILE 54 CO 0.00 0.10 -0.09 1.33 -1.05 0.00 0.00 178.15 178.44 3h5l n VAL 55 N -3.41 2.53 -0.33 0.16 0.24 -1.26 -4.73 118.33 111.53 3h5l n VAL 55 Ca -0.01 -2.74 0.15 0.00 -2.04 0.00 0.00 64.34 59.69 3h5l n VAL 55 Cb 0.27 -0.32 0.37 0.00 -1.47 0.00 0.00 33.84 32.70 3h5l n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h5l h ALA 56 N 1.02 1.81 -0.60 2.33 0.00 -1.37 -2.05 119.26 120.40 3h5l h ALA 56 Ca 0.21 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3h5l h ALA 56 Cb 1.63 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 3h5l h ALA 56 CO 0.37 -0.17 0.40 0.00 0.00 0.00 0.00 179.25 179.85 3h5l h ALA 57 N 1.63 0.77 -0.46 0.00 0.00 -1.84 0.12 119.26 119.47 3h5l h ALA 57 Ca 0.56 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.33 3h5l h ALA 57 Cb 0.98 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3h5l h ALA 57 CO -0.33 0.19 -0.08 -0.44 0.00 0.00 0.00 179.25 178.59 3h5l h ASP 58 N 0.81 0.87 -0.95 0.00 3.32 -1.70 -2.94 116.42 115.84 3h5l h ASP 58 Ca 0.22 -0.35 0.05 0.00 0.02 0.00 0.00 57.03 56.97 3h5l h ASP 58 Cb -0.08 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.17 3h5l h ASP 58 CO -0.05 1.02 0.62 1.23 -1.72 0.00 0.00 179.24 180.34 3h5l h GLY 59 N 0.71 1.39 1.26 2.75 0.00 -0.90 -0.59 103.07 107.69 3h5l h GLY 59 Ca 0.12 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 3h5l h GLY 59 CO 0.04 0.38 0.13 -2.22 0.00 0.00 0.00 176.54 174.87 3h5l h ILE 60 N 1.16 1.24 -0.14 2.60 1.08 -0.94 -1.80 117.51 120.71 3h5l h ILE 60 Ca 0.39 -0.89 -0.15 0.00 -0.39 0.00 0.00 64.86 63.82 3h5l h ILE 60 Cb 0.07 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 3h5l h ILE 60 CO -0.13 0.33 -0.56 -0.33 -0.69 0.00 0.00 178.15 176.77 3h5l h GLU 61 N 0.88 0.43 -0.70 2.37 4.39 -1.16 -1.17 114.58 119.62 3h5l h GLU 61 Ca 0.19 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 3h5l h GLU 61 Cb 0.34 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 3h5l h GLU 61 CO 0.00 0.87 0.22 0.74 -1.16 0.00 0.00 179.01 179.69 3h5l h PHE 62 N 0.33 1.10 -0.40 4.33 0.04 -0.74 0.37 116.94 121.97 3h5l h PHE 62 Ca 0.00 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 3h5l h PHE 62 Cb 1.08 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.89 3h5l h PHE 62 CO 0.04 0.87 0.14 0.37 -0.60 0.00 0.00 178.31 179.13 3h5l h GLN 63 N 1.03 0.62 -0.51 1.51 4.15 -1.16 -2.40 115.11 118.35 3h5l h GLN 63 Ca 0.23 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 3h5l h GLN 63 Cb 0.28 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3h5l h GLN 63 CO -0.01 0.60 0.23 0.00 -1.93 0.00 0.00 178.83 177.71 3h5l h ARG 64 N 0.51 0.74 -0.48 1.69 3.08 -0.87 -1.15 114.38 117.89 3h5l h ARG 64 Ca 0.13 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3h5l h ARG 64 Cb 0.22 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3h5l h ARG 64 CO -0.01 0.64 0.26 0.78 -1.07 0.00 0.00 179.97 180.57 3h5l h GLY 65 N 0.68 0.72 1.83 0.04 0.00 -0.89 -1.23 103.07 104.22 3h5l h GLY 65 Ca 0.17 -0.33 -0.16 0.00 0.00 0.00 0.00 47.33 47.01 3h5l h GLY 65 CO -0.02 0.32 -0.70 1.19 0.00 0.00 0.00 176.54 177.32 3h5l h ILE 66 N 0.64 1.44 -0.57 2.60 2.10 -1.31 -2.13 117.51 120.29 3h5l h ILE 66 Ca 0.17 -2.25 -0.05 0.00 1.08 0.00 0.00 64.86 63.80 3h5l h ILE 66 Cb 0.05 2.20 -0.02 0.00 -1.09 0.00 0.00 36.82 37.96 3h5l h ILE 66 CO -0.03 0.66 0.15 1.56 -1.08 0.00 0.00 178.15 179.41 3h5l h GLN 67 N 0.12 0.90 -0.30 2.19 4.20 -0.95 -1.01 115.11 120.25 3h5l h GLN 67 Ca -0.02 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 3h5l h GLN 67 Cb 1.25 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 3h5l h GLN 67 CO 0.10 0.83 0.10 1.98 -0.67 0.00 0.00 178.83 181.17 3h5l h MET 68 N 0.81 0.47 -0.67 1.46 4.05 -1.07 -0.87 114.93 119.11 3h5l h MET 68 Ca 0.18 -0.10 -0.03 0.00 -0.28 0.00 0.00 59.70 59.47 3h5l h MET 68 Cb 0.33 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.03 3h5l h MET 68 CO -0.00 0.52 0.29 0.00 0.23 0.00 0.00 176.91 177.95 3h5l h ALA 69 N 0.93 0.86 -0.78 0.39 0.00 -1.28 -1.18 119.26 118.20 3h5l h ALA 69 Ca 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3h5l h ALA 69 Cb 0.24 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3h5l h ALA 69 CO -0.00 0.46 0.41 0.00 0.00 0.00 0.00 179.25 180.12 3h5l h ALA 70 N 1.13 1.01 -0.21 0.00 0.00 -0.96 -0.69 119.26 119.54 3h5l h ALA 70 Ca 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3h5l h ALA 70 Cb 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3h5l h ALA 70 CO -0.02 0.54 0.12 0.22 0.00 0.00 0.00 179.25 180.10 3h5l h ASP 71 N 1.10 0.27 -0.35 0.00 3.58 -0.82 0.94 116.42 121.14 3h5l h ASP 71 Ca 0.27 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 3h5l h ASP 71 Cb 0.06 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 3h5l h ASP 71 CO -0.04 0.29 0.14 -0.33 -2.88 0.00 0.00 179.24 176.42 3h5l h GLU 72 N 0.24 0.52 -0.47 0.28 5.08 -0.92 -1.84 114.58 117.47 3h5l h GLU 72 Ca 0.08 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3h5l h GLU 72 Cb 0.08 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3h5l h GLU 72 CO -0.01 0.51 0.02 0.82 -1.00 0.00 0.00 179.01 179.34 3h5l h ILE 73 N 0.42 1.26 0.00 3.13 2.04 -1.06 -3.08 117.51 120.22 3h5l h ILE 73 Ca 0.12 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.90 3h5l h ILE 73 Cb 0.18 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3h5l h ILE 73 CO -0.01 0.36 -0.24 0.78 0.00 0.00 0.00 178.15 179.04 3h5l h ASN 74 N 0.67 0.00 0.64 1.72 2.35 -0.73 -1.13 115.58 119.09 3h5l h ASN 74 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3h5l h ASN 74 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3h5l h ASN 74 CO 0.02 0.24 0.00 0.00 -1.65 0.00 0.00 177.43 176.04 3h5l h ALA 75 N 1.76 1.00 -0.43 -0.83 0.00 -1.24 -1.29 119.26 118.23 3h5l h ALA 75 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 3h5l h ALA 75 Cb 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.07 3h5l h ALA 75 CO 0.03 0.00 -0.05 1.33 0.00 0.00 0.00 179.25 180.56 3h5l n VAL 76 N -2.83 2.63 0.00 0.00 0.24 -0.98 -4.95 118.33 112.44 3h5l n VAL 76 Ca -0.00 -2.81 0.00 0.00 -2.04 0.00 0.00 64.34 59.49 3h5l n VAL 76 Cb 0.21 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 32.18 3h5l n VAL 76 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h5l n GLY 77 N -1.10 0.29 5.73 7.63 0.00 -0.49 -4.87 105.19 112.38 3h5l n GLY 77 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 3h5l n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5l n GLY 78 N -1.92 0.16 3.41 -0.02 0.00 -0.47 -2.86 105.19 103.49 3h5l n GLY 78 Ca 0.00 -1.14 -0.44 0.00 0.00 0.00 0.00 46.02 44.44 3h5l n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h5l s ILE 79 N 0.00 5.21 -1.45 -0.61 1.01 0.33 -4.42 121.20 121.28 3h5l s ILE 79 Ca 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 60.65 59.62 3h5l s ILE 79 Cb 0.00 -4.10 0.05 0.00 0.01 0.00 0.00 42.46 38.42 3h5l s ILE 79 CO 0.00 -0.54 0.96 0.18 0.00 0.00 0.00 174.94 175.54 3h5l n LEU 80 N 5.27 -2.86 0.00 2.97 4.77 -1.26 -1.26 117.00 124.63 3h5l n LEU 80 Ca -0.12 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 3h5l n LEU 80 Cb 0.44 -2.68 0.00 0.00 -2.33 0.00 0.00 43.42 38.86 3h5l n LEU 80 CO 0.46 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 3h5l n GLY 81 N -1.70 1.35 3.59 -0.72 0.00 -1.17 -5.01 105.19 101.53 3h5l n GLY 81 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 3h5l n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h5l s ARG 82 N -0.03 3.94 0.45 1.61 0.52 -0.39 -4.80 118.95 120.26 3h5l s ARG 82 Ca 0.00 -0.13 -0.23 0.00 -0.52 0.00 0.00 55.73 54.85 3h5l s ARG 82 Cb 0.00 -3.68 -0.07 0.00 0.52 0.00 0.00 34.95 31.72 3h5l s ARG 82 CO 0.00 -0.28 1.17 -1.25 0.02 0.00 0.00 175.30 174.96 3h5l s PRO 83 N 1.97 3.78 -0.10 3.54 0.04 -1.26 -0.51 135.00 142.46 3h5l s PRO 83 Ca 0.12 1.80 -0.28 0.00 0.04 0.00 0.00 61.00 62.68 3h5l s PRO 83 Cb -0.16 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 3h5l s PRO 83 CO 0.10 -0.54 0.91 0.42 0.04 0.00 0.00 177.00 177.94 3h5l s ILE 84 N -1.52 4.86 -0.08 0.56 1.01 -1.26 -0.37 121.20 124.41 3h5l s ILE 84 Ca 0.63 1.85 -0.00 0.00 0.00 0.00 0.00 60.65 63.12 3h5l s ILE 84 Cb -0.29 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 3h5l s ILE 84 CO 0.36 0.07 -0.03 -1.61 0.00 0.00 0.00 174.94 173.72 3h5l s GLU 85 N 1.72 2.87 -0.14 2.79 2.02 0.12 -4.92 118.70 123.15 3h5l s GLU 85 Ca 0.45 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 54.96 3h5l s GLU 85 Cb -0.18 -2.69 -0.01 0.00 0.10 0.00 0.00 34.13 31.35 3h5l s GLU 85 CO 0.18 0.68 -0.15 -0.51 0.02 0.00 0.00 175.26 175.49 3h5l s LEU 86 N -0.84 2.57 -0.03 1.80 1.43 -1.26 -0.89 118.68 121.47 3h5l s LEU 86 Ca 0.13 -0.41 0.07 0.00 -1.03 0.00 0.00 54.13 52.89 3h5l s LEU 86 Cb -0.11 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 3h5l s LEU 86 CO 0.02 0.13 -0.24 0.68 0.23 0.00 0.00 176.35 177.16 3h5l s VAL 87 N 0.58 2.16 0.05 -1.59 -7.23 -0.50 -4.99 120.40 108.89 3h5l s VAL 87 Ca -0.09 -1.06 0.07 0.00 -1.81 0.00 0.00 61.98 59.10 3h5l s VAL 87 Cb -0.16 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 3h5l s VAL 87 CO 0.03 0.58 -0.18 -0.36 -0.31 0.00 0.00 175.10 174.86 3h5l s PHE 88 N -0.49 2.54 -0.07 2.82 0.08 -1.26 -0.63 117.98 120.97 3h5l s PHE 88 Ca 0.06 -0.26 0.02 0.00 0.12 0.00 0.00 56.93 56.87 3h5l s PHE 88 Cb -0.11 -1.44 0.01 0.00 -0.57 0.00 0.00 43.02 40.91 3h5l s PHE 88 CO 0.00 0.27 -0.12 0.00 -0.10 0.00 0.00 175.22 175.28 3h5l s ALA 89 N -0.95 1.25 -0.41 5.36 0.00 -0.82 -4.95 121.76 121.24 3h5l s ALA 89 Ca 0.15 -0.42 -0.25 0.00 0.00 0.00 0.00 51.96 51.44 3h5l s ALA 89 Cb -0.10 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.43 3h5l s ALA 89 CO 0.06 0.05 0.89 0.34 0.00 0.00 0.00 175.76 177.10 3h5l s ASP 90 N 0.79 6.56 0.00 0.00 2.15 -1.26 -1.50 116.67 123.41 3h5l s ASP 90 Ca -0.12 0.30 0.30 0.00 0.43 0.00 0.00 52.55 53.45 3h5l s ASP 90 Cb -0.15 -2.44 1.46 0.00 -0.30 0.00 0.00 42.92 41.48 3h5l s ASP 90 CO 0.02 -0.92 1.98 0.35 -0.17 0.00 0.00 175.17 176.43 3h5l n THR 91 N 6.15 0.00 -1.79 1.71 -2.24 -0.40 -4.91 114.28 112.79 3h5l n THR 91 Ca 0.06 -0.11 -0.19 0.00 -2.27 0.00 0.00 64.05 61.53 3h5l n THR 91 Cb 0.48 -0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.61 3h5l n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h5l n GLN 92 N -0.53 -1.41 -2.17 -0.78 6.02 -1.26 -1.14 117.38 116.11 3h5l n GLN 92 Ca 0.20 1.12 -0.17 0.00 -0.01 0.00 0.00 57.00 58.15 3h5l n GLN 92 Cb 0.23 -5.52 -0.02 0.00 1.02 0.00 0.00 30.24 25.95 3h5l n GLN 92 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3h5l n SER 93 N -1.31 -4.76 -5.03 1.08 7.64 -1.01 -4.23 113.62 106.00 3h5l n SER 93 Ca -0.21 0.18 -0.19 0.00 1.01 0.00 0.00 58.87 59.66 3h5l n SER 93 Cb 0.65 -4.07 0.06 0.00 -1.01 0.00 0.00 64.21 59.84 3h5l n SER 93 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3h5l s LYS 94 N -4.60 2.33 0.00 1.43 1.02 -0.29 -4.79 119.74 114.84 3h5l s LYS 94 Ca 0.00 -1.62 0.00 0.00 0.02 0.00 0.00 55.97 54.37 3h5l s LYS 94 Cb 0.00 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 3h5l s LYS 94 CO 0.00 -0.84 0.00 0.41 -0.92 0.00 0.00 175.35 174.00 3h5l n GLY 95 N -2.23 0.94 0.20 -3.33 0.00 -1.26 -3.98 105.19 95.53 3h5l n GLY 95 Ca 0.15 -1.84 -0.03 0.00 0.00 0.00 0.00 46.02 44.30 3h5l n GLY 95 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3h5l h VAL 96 N 0.00 0.52 -0.80 1.61 3.04 -1.96 -1.09 116.25 117.57 3h5l h VAL 96 Ca 0.00 -0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.72 3h5l h VAL 96 Cb 0.00 0.51 -0.05 0.00 -2.01 0.00 0.00 31.29 29.74 3h5l h VAL 96 CO 0.00 0.00 0.51 0.44 -1.01 0.00 0.00 177.57 177.51 3h5l h ASP 97 N 0.01 0.83 -0.02 3.17 3.32 -1.99 0.16 116.42 121.91 3h5l h ASP 97 Ca 0.24 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.05 3h5l h ASP 97 Cb 0.36 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.75 3h5l h ASP 97 CO -0.49 0.57 -0.89 0.58 -1.72 0.00 0.00 179.24 177.28 3h5l h VAL 98 N 0.98 1.29 -0.24 -1.35 2.07 -1.74 -1.93 116.25 115.33 3h5l h VAL 98 Ca 0.33 -2.13 0.01 0.00 0.82 0.00 0.00 66.70 65.73 3h5l h VAL 98 Cb 0.04 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3h5l h VAL 98 CO -0.13 0.66 0.15 0.58 0.02 0.00 0.00 177.57 178.86 3h5l h VAL 99 N 0.44 1.04 -0.41 2.57 2.07 -0.80 -0.30 116.25 120.87 3h5l h VAL 99 Ca -0.08 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3h5l h VAL 99 Cb 1.52 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 3h5l h VAL 99 CO 0.18 0.06 0.25 0.40 0.02 0.00 0.00 177.57 178.48 3h5l h ILE 100 N 0.31 1.13 -0.92 4.57 2.04 -0.96 0.01 117.51 123.69 3h5l h ILE 100 Ca 0.09 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.68 3h5l h ILE 100 Cb -0.02 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 3h5l h ILE 100 CO -0.03 0.13 0.61 1.56 0.00 0.00 0.00 178.15 180.41 3h5l h GLN 101 N 0.55 1.22 -0.22 2.37 4.20 -1.15 0.17 115.11 122.24 3h5l h GLN 101 Ca 0.15 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 3h5l h GLN 101 Cb -0.02 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.48 3h5l h GLN 101 CO -0.03 0.81 -0.07 0.77 -0.67 0.00 0.00 178.83 179.63 3h5l h SER 102 N 1.25 0.44 -0.58 1.46 0.02 -0.67 -1.26 113.55 114.22 3h5l h SER 102 Ca 0.34 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3h5l h SER 102 Cb -0.14 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 3h5l h SER 102 CO -0.07 0.73 0.28 0.00 -1.14 0.00 0.00 176.83 176.62 3h5l h ALA 103 N 0.73 0.74 -0.61 3.77 0.00 -0.70 -2.13 119.26 121.06 3h5l h ALA 103 Ca 0.05 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3h5l h ALA 103 Cb 0.55 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3h5l h ALA 103 CO 0.03 0.31 0.10 0.37 0.00 0.00 0.00 179.25 180.06 3h5l h GLN 104 N 0.78 0.99 -0.59 0.00 5.75 -0.87 -2.48 115.11 118.69 3h5l h GLN 104 Ca 0.20 -0.25 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 3h5l h GLN 104 Cb 0.12 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 3h5l h GLN 104 CO -0.02 0.91 0.33 -0.09 -2.65 0.00 0.00 178.83 177.31 3h5l h ARG 105 N 0.93 0.81 -0.59 1.69 1.12 -1.00 0.14 114.38 117.49 3h5l h ARG 105 Ca 0.19 -0.09 0.02 0.00 -1.11 0.00 0.00 59.98 58.99 3h5l h ARG 105 Cb 0.40 -0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 30.17 3h5l h ARG 105 CO 0.01 0.61 0.39 -0.07 -3.11 0.00 0.00 179.97 177.80 3h5l h LEU 106 N 0.80 0.64 0.01 3.80 3.38 -1.02 0.88 115.31 123.80 3h5l h LEU 106 Ca 0.21 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3h5l h LEU 106 Cb 0.02 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3h5l h LEU 106 CO -0.04 0.45 -0.00 0.40 0.09 0.00 0.00 178.44 179.34 3h5l h ILE 107 N 0.75 1.33 -0.08 1.22 2.04 -1.06 -1.49 117.51 120.22 3h5l h ILE 107 Ca 0.23 -1.96 -0.12 0.00 1.00 0.00 0.00 64.86 64.01 3h5l h ILE 107 Cb -0.00 2.50 0.01 0.00 -0.74 0.00 0.00 36.82 38.58 3h5l h ILE 107 CO -0.06 0.45 -0.41 0.44 0.00 0.00 0.00 178.15 178.57 3h5l h ASP 108 N -0.98 0.50 0.12 1.72 3.32 -0.67 -1.25 116.42 119.18 3h5l h ASP 108 Ca -0.00 -0.65 -0.30 0.00 0.02 0.00 0.00 57.03 56.09 3h5l h ASP 108 Cb 0.74 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3h5l h ASP 108 CO 0.00 1.07 -1.59 -0.09 -1.72 0.00 0.00 179.24 176.92 3h5l h ARG 109 N -0.03 0.25 -0.02 3.56 2.43 -1.01 -3.40 114.38 116.16 3h5l h ARG 109 Ca -0.03 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3h5l h ARG 109 Cb 1.06 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3h5l h ARG 109 CO 0.09 1.21 -0.19 -0.25 -1.51 0.00 0.00 179.97 179.31 3h5l n ASP 110 N -3.82 2.21 -2.79 -3.80 8.00 -1.06 -4.99 116.55 110.30 3h5l n ASP 110 Ca -0.27 -1.60 -0.21 0.00 0.71 0.00 0.00 54.79 53.41 3h5l n ASP 110 Cb 0.94 0.24 0.03 0.00 -0.02 0.00 0.00 41.12 42.31 3h5l n ASP 110 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3h5l n ASN 111 N 0.51 -5.94 -4.73 -2.24 4.13 -0.47 -4.93 115.26 101.59 3h5l n ASN 111 Ca 0.10 -0.23 -0.42 0.00 1.68 0.00 0.00 54.58 55.70 3h5l n ASN 111 Cb 0.44 -4.79 -0.03 0.00 -1.54 0.00 0.00 39.78 33.86 3h5l n ASN 111 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h5l s ALA 112 N -3.13 3.81 -0.36 5.41 0.00 -0.59 -4.57 121.76 122.33 3h5l s ALA 112 Ca 0.24 1.46 0.22 0.00 0.00 0.00 0.00 51.96 53.88 3h5l s ALA 112 Cb -0.11 -3.64 0.34 0.00 0.00 0.00 0.00 23.12 19.71 3h5l s ALA 112 CO 0.30 -0.85 1.60 0.77 0.00 0.00 0.00 175.76 177.58 3h5l h SER 113 N 6.34 0.00 -4.93 0.00 0.02 -1.30 -3.40 113.55 110.29 3h5l h SER 113 Ca -0.44 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.42 3h5l h SER 113 Cb 1.21 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.55 3h5l h SER 113 CO 0.90 0.10 -0.11 0.00 -1.14 0.00 0.00 176.83 176.57 3h5l s ALA 114 N -3.19 -1.14 -0.15 3.77 0.00 -1.24 -3.22 121.76 116.59 3h5l s ALA 114 Ca 0.06 0.72 -0.01 0.00 0.00 0.00 0.00 51.96 52.73 3h5l s ALA 114 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 3h5l s ALA 114 CO 0.68 -0.30 -0.10 -0.51 0.00 0.00 0.00 175.76 175.53 3h5l s LEU 115 N -1.19 2.83 -0.17 0.00 1.43 0.37 -1.07 118.68 120.88 3h5l s LEU 115 Ca -0.12 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 3h5l s LEU 115 Cb -0.03 -1.66 0.04 0.00 0.03 0.00 0.00 46.19 44.56 3h5l s LEU 115 CO 0.06 0.14 -0.10 -0.63 0.23 0.00 0.00 176.35 176.05 3h5l s ILE 116 N 0.52 1.49 0.29 -0.59 1.01 0.13 -0.37 121.20 123.69 3h5l s ILE 116 Ca -0.07 -0.79 0.10 0.00 0.00 0.00 0.00 60.65 59.88 3h5l s ILE 116 Cb -0.15 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 3h5l s ILE 116 CO 0.04 0.25 -0.03 0.00 0.00 0.00 0.00 174.94 175.20 3h5l s ALA 117 N 1.48 3.12 0.00 9.38 0.00 0.13 -4.13 121.76 131.74 3h5l s ALA 117 Ca 0.01 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.18 3h5l s ALA 117 Cb -0.15 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.40 3h5l s ALA 117 CO -0.09 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.28 3h5l n GLY 118 N -0.88 1.10 3.28 0.00 0.00 -1.26 -3.72 105.19 103.71 3h5l n GLY 118 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 3h5l n GLY 118 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h5l s TYR 119 N 0.07 1.37 0.16 1.61 -0.85 -1.26 0.12 117.35 118.57 3h5l s TYR 119 Ca 0.00 -1.06 0.01 0.00 -0.52 0.00 0.00 57.07 55.50 3h5l s TYR 119 Cb 0.00 -0.79 -0.04 0.00 0.38 0.00 0.00 41.96 41.50 3h5l s TYR 119 CO 0.00 -0.23 0.02 -0.80 -1.52 0.00 0.00 175.55 173.02 3h5l s ASN 120 N -3.24 1.00 -1.16 -0.18 0.01 -1.26 -4.54 114.94 105.57 3h5l s ASN 120 Ca 0.29 -1.18 -0.06 0.00 -0.71 0.00 0.00 52.86 51.20 3h5l s ASN 120 Cb 0.07 0.16 0.02 0.00 0.41 0.00 0.00 41.25 41.91 3h5l s ASN 120 CO 0.08 -0.61 2.70 0.18 -1.51 0.00 0.00 177.10 177.94 3h5l n LEU 121 N -0.21 7.77 -4.71 0.60 4.77 -1.26 -4.84 117.00 119.13 3h5l n LEU 121 Ca -0.06 -4.49 -0.26 0.00 -0.03 0.00 0.00 56.01 51.17 3h5l n LEU 121 Cb 0.63 -1.40 -0.08 0.00 -2.33 0.00 0.00 43.42 40.24 3h5l n LEU 121 CO 0.33 1.99 -0.20 -1.83 -1.33 0.00 0.00 177.39 176.35 3h5l s GLU 122 N -0.20 2.14 0.48 3.23 -1.05 -1.26 -3.98 118.70 118.06 3h5l s GLU 122 Ca 0.60 -1.98 0.27 0.00 -0.15 0.00 0.00 54.97 53.71 3h5l s GLU 122 Cb 0.22 -1.84 1.12 0.00 -0.44 0.00 0.00 34.13 33.19 3h5l s GLU 122 CO -0.10 -0.13 1.91 -0.91 0.95 0.00 0.00 175.26 176.97 3h5l h ASN 123 N 1.50 0.00 0.00 0.83 4.21 -1.98 -3.47 115.58 116.68 3h5l h ASN 123 Ca -0.43 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.08 3h5l h ASN 123 Cb 1.25 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 3h5l h ASN 123 CO 0.73 0.16 0.00 0.61 -1.29 0.00 0.00 177.43 177.65 3h5l n GLY 124 N -0.03 1.18 0.37 2.83 0.00 -1.26 -4.91 105.19 103.38 3h5l n GLY 124 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3h5l n GLY 124 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h5l n THR 125 N 0.00 1.82 0.07 2.61 -2.24 -1.26 -4.66 114.28 110.62 3h5l n THR 125 Ca 0.00 -1.87 -0.01 0.00 -2.27 0.00 0.00 64.05 59.90 3h5l n THR 125 Cb 0.00 -0.09 0.28 0.00 -2.10 0.00 0.00 70.33 68.43 3h5l n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h5l h ALA 126 N 0.74 1.27 0.00 6.98 0.00 -1.96 -3.14 119.26 123.15 3h5l h ALA 126 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 3h5l h ALA 126 Cb 1.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3h5l h ALA 126 CO 0.07 0.48 -0.45 -0.07 0.00 0.00 0.00 179.25 179.29 3h5l h LEU 127 N 0.30 0.00 -0.24 0.00 3.38 -1.95 -3.38 115.31 113.42 3h5l h LEU 127 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3h5l h LEU 127 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3h5l h LEU 127 CO 0.04 0.45 0.12 0.45 0.09 0.00 0.00 178.44 179.59 3h5l h HIS 128 N 0.00 0.33 -0.10 1.13 3.86 -1.90 -0.50 115.15 117.97 3h5l h HIS 128 Ca -0.00 -0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.03 3h5l h HIS 128 Cb 1.14 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.50 3h5l h HIS 128 CO 0.00 0.30 -0.65 -0.44 0.86 0.00 0.00 177.93 178.00 3h5l h ASP 129 N 0.26 0.44 0.03 2.45 3.32 -1.79 -1.19 116.42 119.95 3h5l h ASP 129 Ca 0.08 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 3h5l h ASP 129 Cb 0.08 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3h5l h ASP 129 CO -0.01 0.97 -0.01 0.58 -1.72 0.00 0.00 179.24 179.04 3h5l h VAL 130 N 0.28 0.99 -0.19 -1.35 2.07 -1.63 0.19 116.25 116.60 3h5l h VAL 130 Ca -0.01 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3h5l h VAL 130 Cb 1.19 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 3h5l h VAL 130 CO 0.11 0.01 0.11 0.00 0.02 0.00 0.00 177.57 177.82 3h5l h ALA 131 N 0.90 0.24 -0.45 1.67 0.00 -1.06 -2.56 119.26 118.00 3h5l h ALA 131 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3h5l h ALA 131 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3h5l h ALA 131 CO 0.01 -0.25 0.17 0.00 0.00 0.00 0.00 179.25 179.18 3h5l h ALA 132 N 1.01 0.58 0.00 0.00 0.00 -1.13 -0.02 119.26 119.71 3h5l h ALA 132 Ca 0.07 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3h5l h ALA 132 Cb 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3h5l h ALA 132 CO -0.01 0.20 -0.30 -0.44 0.00 0.00 0.00 179.25 178.70 3h5l h ASP 133 N 0.58 0.00 -0.03 0.00 3.32 -0.93 -2.36 116.42 117.00 3h5l h ASP 133 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3h5l h ASP 133 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3h5l h ASP 133 CO -0.01 0.30 0.00 0.00 -1.72 0.00 0.00 179.24 177.81 3h5l n ALA 134 N -2.37 2.50 -2.92 3.45 0.00 -0.97 -4.94 120.51 115.25 3h5l n ALA 134 Ca -0.01 -0.61 -0.22 0.00 0.00 0.00 0.00 53.44 52.60 3h5l n ALA 134 Cb 0.38 -0.93 0.03 0.00 0.00 0.00 0.00 19.45 18.93 3h5l n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h5l n GLY 135 N 1.29 -0.48 3.69 0.00 0.00 -0.10 0.22 105.19 109.80 3h5l n GLY 135 Ca 0.16 0.09 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 3h5l n GLY 135 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h5l s VAL 136 N -3.15 2.13 -0.02 1.61 -7.23 -0.72 -4.19 120.40 108.83 3h5l s VAL 136 Ca 0.26 -1.84 -0.17 0.00 -1.81 0.00 0.00 61.98 58.42 3h5l s VAL 136 Cb -0.11 -2.97 -0.05 0.00 0.56 0.00 0.00 36.38 33.80 3h5l s VAL 136 CO 0.32 0.00 0.48 -0.63 -0.31 0.00 0.00 175.10 174.96 3h5l s ILE 137 N -2.66 4.99 -0.03 -0.62 -1.09 -1.20 -4.53 121.20 116.06 3h5l s ILE 137 Ca 0.37 0.99 0.06 0.00 -2.23 0.00 0.00 60.65 59.84 3h5l s ILE 137 Cb 0.07 -3.80 -0.01 0.00 -1.58 0.00 0.00 42.46 37.13 3h5l s ILE 137 CO 0.20 0.49 -0.21 0.00 -1.23 0.00 0.00 174.94 174.19 3h5l s ALA 138 N -0.54 1.78 -0.05 9.38 0.00 0.08 -0.48 121.76 131.92 3h5l s ALA 138 Ca 0.26 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.39 3h5l s ALA 138 Cb -0.17 -0.51 -0.00 0.00 0.00 0.00 0.00 23.12 22.43 3h5l s ALA 138 CO 0.14 0.38 -0.18 -1.64 0.00 0.00 0.00 175.76 174.47 3h5l s MET 139 N -0.26 1.92 0.12 0.00 -1.94 0.51 -0.63 119.30 119.01 3h5l s MET 139 Ca 0.02 -0.63 -0.08 0.00 -1.71 0.00 0.00 55.69 53.28 3h5l s MET 139 Cb -0.10 -1.64 -0.01 0.00 2.01 0.00 0.00 34.83 35.09 3h5l s MET 139 CO 0.01 0.23 0.21 -3.38 -0.01 0.00 0.00 175.02 172.09 3h5l s HIS 140 N 0.09 0.28 -0.41 -0.03 -3.43 -0.27 -0.70 115.29 110.82 3h5l s HIS 140 Ca -0.06 -0.68 0.07 0.00 -0.80 0.00 0.00 55.06 53.59 3h5l s HIS 140 Cb -0.12 -0.08 0.43 0.00 -1.43 0.00 0.00 32.58 31.37 3h5l s HIS 140 CO 0.03 -0.60 1.10 0.00 -2.00 0.00 0.00 174.74 173.26 3h5l n ALA 141 N -0.11 4.85 0.28 -1.38 0.00 0.12 -1.19 120.51 123.07 3h5l n ALA 141 Ca -0.12 -4.13 0.14 0.00 0.00 0.00 0.00 53.44 49.33 3h5l n ALA 141 Cb 0.63 -0.58 0.82 0.00 0.00 0.00 0.00 19.45 20.32 3h5l n ALA 141 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3h5l h ASN 142 N 2.60 0.00 -4.32 0.00 2.35 -1.91 -3.39 115.58 110.92 3h5l h ASN 142 Ca 0.25 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.84 3h5l h ASN 142 Cb 1.00 0.00 0.11 0.00 0.05 0.00 0.00 38.32 39.48 3h5l h ASN 142 CO 0.80 0.06 -0.48 0.41 -1.65 0.00 0.00 177.43 176.57 3h5l n THR 143 N -3.71 -5.01 -4.07 2.81 -1.04 -1.26 -4.97 114.28 97.02 3h5l n THR 143 Ca -0.02 -0.62 -0.17 0.00 -2.04 0.00 0.00 64.05 61.19 3h5l n THR 143 Cb 0.17 -4.69 -0.15 0.00 -1.82 0.00 0.00 70.33 63.83 3h5l n THR 143 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3h5l s VAL 144 N -3.22 0.34 0.47 12.58 -7.23 -1.26 -2.61 120.40 119.47 3h5l s VAL 144 Ca 0.18 -0.09 0.19 0.00 -1.81 0.00 0.00 61.98 60.45 3h5l s VAL 144 Cb -0.02 -0.36 0.24 0.00 0.56 0.00 0.00 36.38 36.80 3h5l s VAL 144 CO 0.43 0.14 2.06 0.00 -0.31 0.00 0.00 175.10 177.42 3h5l h ALA 145 N 6.70 1.67 0.00 1.32 0.00 -1.95 -2.55 119.26 124.44 3h5l h ALA 145 Ca -0.35 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 3h5l h ALA 145 Cb 1.16 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3h5l h ALA 145 CO 0.49 0.15 -0.10 -0.39 0.00 0.00 0.00 179.25 179.40 3h5l h VAL 146 N 0.00 1.02 -0.05 0.00 -1.51 -1.95 -1.63 116.25 112.13 3h5l h VAL 146 Ca -0.00 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 3h5l h VAL 146 Cb 0.23 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 30.57 3h5l h VAL 146 CO 0.02 0.09 0.03 -0.74 -1.23 0.00 0.00 177.57 175.74 3h5l h HIS 147 N 0.00 0.07 -0.51 5.19 6.17 -1.72 -0.62 115.15 123.73 3h5l h HIS 147 Ca -0.00 0.00 0.05 0.00 0.71 0.00 0.00 60.37 61.13 3h5l h HIS 147 Cb 0.18 -0.02 -0.05 0.00 2.52 0.00 0.00 27.41 30.04 3h5l h HIS 147 CO 0.00 0.06 0.24 -0.44 0.71 0.00 0.00 177.93 178.50 3h5l h ASP 148 N 0.06 0.33 0.34 3.26 5.19 -1.42 -1.45 116.42 122.73 3h5l h ASP 148 Ca 0.02 0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.34 3h5l h ASP 148 Cb 0.01 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 3h5l h ASP 148 CO -0.00 0.23 -0.51 -0.33 -3.12 0.00 0.00 179.24 175.51 3h5l h GLU 149 N 0.47 0.20 -0.01 3.56 4.39 -1.28 -1.34 114.58 120.57 3h5l h GLU 149 Ca 0.23 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 3h5l h GLU 149 Cb 0.16 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3h5l h GLU 149 CO -0.18 0.66 0.00 1.98 -1.16 0.00 0.00 179.01 180.31 3h5l h MET 150 N 0.16 0.01 -0.54 2.33 4.05 -0.54 -0.82 114.93 119.58 3h5l h MET 150 Ca 0.00 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 3h5l h MET 150 Cb 0.95 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.72 3h5l h MET 150 CO 0.08 0.29 0.35 0.28 0.23 0.00 0.00 176.91 178.14 3h5l h VAL 151 N -0.27 1.13 0.00 -5.77 2.07 -1.23 -2.15 116.25 110.03 3h5l h VAL 151 Ca 0.00 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3h5l h VAL 151 Cb 0.29 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3h5l h VAL 151 CO 0.00 0.13 -0.09 0.11 0.02 0.00 0.00 177.57 177.74 3h5l h LYS 152 N 0.72 0.00 0.00 1.57 1.57 -1.13 -1.47 116.57 117.82 3h5l h LYS 152 Ca 0.20 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 3h5l h LYS 152 Cb -0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 3h5l h LYS 152 CO -0.05 0.09 -0.15 0.66 -0.57 0.00 0.00 179.45 179.43 3h5l h SER 153 N 0.00 0.00 0.00 0.86 4.64 -0.45 -3.38 113.55 115.21 3h5l h SER 153 Ca -0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3h5l h SER 153 Cb 0.21 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.16 3h5l h SER 153 CO 0.01 0.15 -0.37 -0.67 -0.87 0.00 0.00 176.83 175.08 3h5l n ASP 154 N -3.33 -2.47 0.25 4.97 -0.08 -1.00 -5.04 116.55 109.85 3h5l n ASP 154 Ca 0.00 -2.94 0.09 0.00 -1.51 0.00 0.00 54.79 50.43 3h5l n ASP 154 Cb 0.38 1.57 0.66 0.00 2.34 0.00 0.00 41.12 46.06 3h5l n ASP 154 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3h5l h PRO 155 N 3.72 0.00 -0.02 -0.67 0.13 -1.48 -1.15 132.00 132.54 3h5l h PRO 155 Ca -0.17 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.88 3h5l h PRO 155 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3h5l h PRO 155 CO 0.19 0.10 -0.36 -0.44 -0.23 0.00 0.00 178.00 177.25 3h5l h ASP 156 N 0.00 0.03 0.12 1.44 3.32 -1.96 -3.10 116.42 116.27 3h5l h ASP 156 Ca -0.00 -0.01 -0.33 0.00 0.02 0.00 0.00 57.03 56.71 3h5l h ASP 156 Cb 0.20 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3h5l h ASP 156 CO 0.01 0.40 -1.73 -0.09 -1.72 0.00 0.00 179.24 176.11 3h5l h ARG 157 N 0.03 0.24 -1.40 3.56 2.43 -1.67 -3.39 114.38 114.19 3h5l h ARG 157 Ca 0.00 -0.42 -0.39 0.00 -0.81 0.00 0.00 59.98 58.37 3h5l h ARG 157 Cb 0.66 0.16 -0.17 0.00 -0.42 0.00 0.00 29.97 30.20 3h5l h ARG 157 CO 0.05 1.20 0.50 0.66 -1.51 0.00 0.00 179.97 180.87 3h5l n TYR 158 N -3.73 1.86 0.31 2.20 4.01 -0.54 -4.56 117.16 116.72 3h5l n TYR 158 Ca -0.29 -2.12 0.16 0.00 -0.16 0.00 0.00 57.90 55.49 3h5l n TYR 158 Cb 0.97 -1.03 0.70 0.00 -0.31 0.00 0.00 39.34 39.67 3h5l n TYR 158 CO 0.00 0.00 0.00 0.11 -0.46 0.00 0.00 176.86 176.51 3h5l h TRP 159 N 1.51 0.00 0.00 -0.72 5.08 -1.75 -3.29 115.95 116.79 3h5l h TRP 159 Ca 0.35 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.32 3h5l h TRP 159 Cb 0.97 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.13 3h5l h TRP 159 CO 0.93 0.00 -0.98 0.41 -1.28 0.00 0.00 178.44 177.52 3h5l n GLY 160 N -0.30 -1.02 3.46 11.11 0.00 -1.26 -4.88 105.19 112.30 3h5l n GLY 160 Ca 0.00 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 3h5l n GLY 160 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h5l s THR 161 N -3.01 4.09 -0.03 2.61 2.01 -1.24 -0.74 115.64 119.32 3h5l s THR 161 Ca 0.08 -0.26 0.06 0.00 0.31 0.00 0.00 61.69 61.88 3h5l s THR 161 Cb 0.16 -2.86 -0.01 0.00 0.01 0.00 0.00 72.50 69.80 3h5l s THR 161 CO 0.86 0.41 -0.21 -0.36 -0.69 0.00 0.00 174.62 174.63 3h5l s PHE 162 N 1.09 1.91 -0.36 4.92 0.08 0.19 -4.85 117.98 120.97 3h5l s PHE 162 Ca 0.03 -0.43 -0.10 0.00 0.12 0.00 0.00 56.93 56.54 3h5l s PHE 162 Cb -0.14 -1.24 0.02 0.00 -0.57 0.00 0.00 43.02 41.08 3h5l s PHE 162 CO 0.02 -0.09 0.18 -1.14 -0.10 0.00 0.00 175.22 174.10 3h5l s GLN 163 N -0.33 2.92 0.00 0.44 0.74 0.28 -1.11 119.66 122.60 3h5l s GLN 163 Ca 0.04 -1.01 0.15 0.00 0.05 0.00 0.00 55.36 54.59 3h5l s GLN 163 Cb -0.10 -3.66 0.47 0.00 1.10 0.00 0.00 33.01 30.82 3h5l s GLN 163 CO 0.00 -0.63 1.37 2.48 -0.55 0.00 0.00 175.29 177.97 3h5l n TYR 164 N 4.97 0.46 -4.58 1.67 0.18 -0.34 -1.85 117.16 117.69 3h5l n TYR 164 Ca -0.12 -0.23 -0.26 0.00 1.88 0.00 0.00 57.90 59.16 3h5l n TYR 164 Cb 0.47 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.32 3h5l n TYR 164 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 3h5l s ASP 165 N -1.17 3.47 0.70 9.48 -4.77 -1.26 -4.68 116.67 118.43 3h5l s ASP 165 Ca 0.30 -1.39 -0.11 0.00 -3.30 0.00 0.00 52.55 48.04 3h5l s ASP 165 Cb 0.16 -0.25 0.02 0.00 -1.09 0.00 0.00 42.92 41.75 3h5l s ASP 165 CO 0.22 -0.52 1.07 -2.84 0.70 0.00 0.00 175.17 173.79 3h5l s PRO 166 N -3.77 2.80 0.94 2.11 0.02 -1.26 -3.19 135.00 132.66 3h5l s PRO 166 Ca 0.34 1.05 -0.12 0.00 0.02 0.00 0.00 61.00 62.29 3h5l s PRO 166 Cb 0.09 -1.97 0.15 0.00 0.02 0.00 0.00 34.50 32.80 3h5l s PRO 166 CO 0.16 -1.21 1.09 -1.25 -0.33 0.00 0.00 177.00 175.46 3h5l s PRO 167 N -4.87 0.89 0.56 5.54 0.04 -1.26 -4.57 135.00 131.33 3h5l s PRO 167 Ca 0.60 0.89 0.30 0.00 0.04 0.00 0.00 61.00 62.83 3h5l s PRO 167 Cb -0.15 -1.76 1.66 0.00 0.04 0.00 0.00 34.50 34.28 3h5l s PRO 167 CO 0.53 -2.51 2.16 1.05 0.04 0.00 0.00 177.00 178.26 3h5l h GLU 168 N -1.75 0.00 -1.03 4.56 9.09 -1.80 -1.69 114.58 121.97 3h5l h GLU 168 Ca -0.51 0.00 0.26 0.00 0.05 0.00 0.00 59.36 59.16 3h5l h GLU 168 Cb 1.29 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 28.28 3h5l h GLU 168 CO 0.53 0.07 0.64 1.15 0.05 0.00 0.00 179.01 181.44 3h5l h THR 169 N 0.00 0.53 0.00 -1.06 2.02 -1.88 -0.30 112.91 112.22 3h5l h THR 169 Ca -0.00 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 3h5l h THR 169 Cb 0.20 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.61 3h5l h THR 169 CO 0.01 0.09 -0.03 -0.07 0.37 0.00 0.00 175.52 175.88 3h5l h LEU 170 N 0.49 0.00 -1.54 2.58 -0.00 -1.66 -0.79 115.31 114.40 3h5l h LEU 170 Ca 0.62 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 58.53 3h5l h LEU 170 Cb 1.37 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.01 3h5l h LEU 170 CO -0.39 0.03 0.35 1.88 -0.00 0.00 0.00 178.44 180.31 3h5l h TYR 171 N 0.00 0.59 0.00 1.13 0.05 -1.23 0.33 116.97 117.83 3h5l h TYR 171 Ca -0.00 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 3h5l h TYR 171 Cb 0.22 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 37.76 3h5l h TYR 171 CO 0.00 0.35 -0.13 0.78 -1.05 0.00 0.00 178.16 178.11 3h5l h GLY 172 N 0.61 0.00 0.93 3.88 0.00 -1.29 -2.54 103.07 104.67 3h5l h GLY 172 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.56 3h5l h GLY 172 CO -0.05 0.00 0.55 -1.33 0.00 0.00 0.00 176.54 175.70 3h5l h GLY 173 N -1.00 1.20 1.80 4.60 0.00 -1.44 -2.49 103.07 105.74 3h5l h GLY 173 Ca -0.02 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.78 3h5l h GLY 173 CO -0.01 0.38 -0.42 -1.33 0.00 0.00 0.00 176.54 175.16 3h5l h GLY 174 N 1.08 0.24 0.99 4.60 0.00 -0.50 -2.44 103.07 107.05 3h5l h GLY 174 Ca 0.32 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.43 3h5l h GLY 174 CO -0.10 0.21 0.34 -2.75 0.00 0.00 0.00 176.54 174.24 3h5l h PHE 175 N 0.19 0.63 -0.81 5.60 3.57 -1.02 -0.50 116.94 124.60 3h5l h PHE 175 Ca 0.02 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 3h5l h PHE 175 Cb 0.82 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 3h5l h PHE 175 CO 0.01 0.39 0.35 -0.07 -2.23 0.00 0.00 178.31 176.76 3h5l h LEU 176 N 0.68 1.10 -0.58 0.59 3.38 -1.27 -0.52 115.31 118.70 3h5l h LEU 176 Ca 0.19 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3h5l h LEU 176 Cb -0.07 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 3h5l h LEU 176 CO -0.05 0.96 0.18 0.50 0.09 0.00 0.00 178.44 180.12 3h5l h LYS 177 N 1.17 0.90 -0.57 1.13 1.63 -1.32 -1.31 116.57 118.21 3h5l h LYS 177 Ca 0.27 -0.20 0.04 0.00 -0.85 0.00 0.00 60.65 59.92 3h5l h LYS 177 Cb 0.19 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 3h5l h LYS 177 CO -0.03 0.82 0.32 0.35 -3.45 0.00 0.00 179.45 177.46 3h5l h PHE 178 N 0.82 0.59 -0.69 1.91 3.57 -0.70 -1.68 116.94 120.76 3h5l h PHE 178 Ca 0.19 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 3h5l h PHE 178 Cb 0.29 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 3h5l h PHE 178 CO 0.02 0.31 0.14 1.25 -2.23 0.00 0.00 178.31 177.80 3h5l h LEU 179 N 0.62 1.07 -0.47 0.59 5.85 -0.78 -1.81 115.31 120.39 3h5l h LEU 179 Ca 0.24 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3h5l h LEU 179 Cb 0.10 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3h5l h LEU 179 CO -0.14 1.04 0.30 0.50 -0.34 0.00 0.00 178.44 179.81 3h5l h LYS 180 N 1.06 0.63 -0.41 1.25 3.64 -0.83 -2.24 116.57 119.67 3h5l h LYS 180 Ca 0.21 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 3h5l h LYS 180 Cb 0.41 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3h5l h LYS 180 CO 0.01 0.43 -0.26 -0.44 -2.27 0.00 0.00 179.45 176.91 3h5l h ASP 181 N 0.63 0.88 0.68 4.20 5.19 -0.88 0.17 116.42 127.30 3h5l h ASP 181 Ca 0.17 -0.34 -0.12 0.00 -0.62 0.00 0.00 57.03 56.12 3h5l h ASP 181 Cb -0.05 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.20 3h5l h ASP 181 CO -0.04 1.09 -0.57 0.16 -3.12 0.00 0.00 179.24 176.77 3h5l h ILE 182 N 0.73 1.31 -0.22 0.35 3.07 -1.28 -0.62 117.51 120.85 3h5l h ILE 182 Ca 0.09 -2.00 -0.07 0.00 1.55 0.00 0.00 64.86 64.43 3h5l h ILE 182 Cb 0.81 2.11 -0.01 0.00 -0.27 0.00 0.00 36.82 39.46 3h5l h ILE 182 CO 0.07 0.55 -0.14 -0.33 -1.05 0.00 0.00 178.15 177.25 3h5l h GLU 183 N 0.00 0.49 -0.07 0.16 5.08 -1.23 -0.16 114.58 118.85 3h5l h GLU 183 Ca -0.01 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 3h5l h GLU 183 Cb 1.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3h5l h GLU 183 CO 0.07 0.78 -0.31 -0.44 -1.00 0.00 0.00 179.01 178.12 3h5l h ASP 184 N 0.19 0.13 0.28 1.42 3.32 -0.75 -2.44 116.42 118.57 3h5l h ASP 184 Ca 0.05 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3h5l h ASP 184 Cb 0.66 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3h5l h ASP 184 CO 0.04 0.44 -0.01 0.59 -1.72 0.00 0.00 179.24 178.57 3h5l n ASN 185 N -4.14 0.10 0.00 6.45 5.03 -0.26 -4.92 115.26 117.52 3h5l n ASN 185 Ca -0.01 -0.60 0.00 0.00 0.87 0.00 0.00 54.58 54.84 3h5l n ASN 185 Cb 0.38 -0.13 0.00 0.00 -1.02 0.00 0.00 39.78 39.01 3h5l n ASN 185 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3h5l n GLY 186 N 1.16 0.80 0.17 7.41 0.00 -0.92 -4.94 105.19 108.87 3h5l n GLY 186 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.27 3h5l n GLY 186 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h5l h GLU 187 N 2.51 0.00 -3.90 1.61 5.08 -1.26 -3.44 114.58 115.17 3h5l h GLU 187 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.95 3h5l h GLU 187 Cb 0.00 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 28.90 3h5l h GLU 187 CO 0.00 0.30 -0.77 0.12 -1.00 0.00 0.00 179.01 177.66 3h5l s PHE 188 N -3.06 0.67 -0.29 4.33 5.36 -0.90 -4.60 117.98 119.48 3h5l s PHE 188 Ca 0.05 -0.17 -0.03 0.00 -0.96 0.00 0.00 56.93 55.82 3h5l s PHE 188 Cb 0.07 -0.66 0.04 0.00 -0.34 0.00 0.00 43.02 42.12 3h5l s PHE 188 CO 0.71 -0.22 0.00 0.45 -1.46 0.00 0.00 175.22 174.71 3h5l s SER 189 N 1.18 4.81 0.14 6.13 0.15 -1.26 -4.17 113.70 120.68 3h5l s SER 189 Ca -0.07 -1.09 -0.31 0.00 0.70 0.00 0.00 55.95 55.18 3h5l s SER 189 Cb -0.14 -1.73 -0.10 0.00 -1.71 0.00 0.00 66.02 62.34 3h5l s SER 189 CO -0.02 -0.22 1.63 0.00 1.20 0.00 0.00 173.24 175.83 3h5l s ARG 190 N 1.32 4.19 0.32 5.44 1.70 -1.26 -4.88 118.95 125.78 3h5l s ARG 190 Ca -0.03 2.40 0.06 0.00 -0.47 0.00 0.00 55.73 57.69 3h5l s ARG 190 Cb -0.19 -3.32 0.55 0.00 -0.57 0.00 0.00 34.95 31.42 3h5l s ARG 190 CO -0.01 -0.68 1.79 -1.35 -1.08 0.00 0.00 175.30 173.97 3h5l h PRO 191 N 7.41 0.36 0.00 3.89 0.11 -1.87 -3.47 132.00 138.42 3h5l h PRO 191 Ca -0.43 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3h5l h PRO 191 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3h5l h PRO 191 CO 0.93 0.57 0.00 0.27 -0.21 0.00 0.00 178.00 179.56 3h5l n ASN 192 N -4.16 0.00 -1.53 -2.05 0.23 -1.26 -5.02 115.26 101.47 3h5l n ASN 192 Ca -0.00 -0.62 0.08 0.00 -0.53 0.00 0.00 54.58 53.50 3h5l n ASN 192 Cb 0.37 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.42 3h5l n ASN 192 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3h5l n ASN 193 N -1.08 5.06 -4.70 0.53 3.02 -1.26 -4.65 115.26 112.18 3h5l n ASN 193 Ca 0.00 -2.95 -0.35 0.00 -0.03 0.00 0.00 54.58 51.25 3h5l n ASN 193 Cb 0.00 -0.63 -0.09 0.00 -0.61 0.00 0.00 39.78 38.45 3h5l n ASN 193 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3h5l s LYS 194 N -2.76 3.54 -0.05 3.52 1.02 -1.26 0.41 119.74 124.16 3h5l s LYS 194 Ca 0.50 -0.32 0.05 0.00 0.02 0.00 0.00 55.97 56.23 3h5l s LYS 194 Cb 0.39 -3.07 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 3h5l s LYS 194 CO 0.14 0.52 -0.22 -1.50 -0.92 0.00 0.00 175.35 173.37 3h5l s ILE 195 N -0.34 1.77 -0.14 2.17 2.07 -0.06 -0.93 121.20 125.75 3h5l s ILE 195 Ca 0.09 -0.91 -0.02 0.00 -1.41 0.00 0.00 60.65 58.39 3h5l s ILE 195 Cb -0.12 -1.50 -0.03 0.00 0.13 0.00 0.00 42.46 40.94 3h5l s ILE 195 CO 0.02 0.50 -0.06 0.00 -1.91 0.00 0.00 174.94 173.48 3h5l s ALA 196 N -0.11 2.92 -0.11 1.50 0.00 0.11 -0.73 121.76 125.33 3h5l s ALA 196 Ca -0.03 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.11 3h5l s ALA 196 Cb -0.12 -1.43 0.01 0.00 0.00 0.00 0.00 23.12 21.58 3h5l s ALA 196 CO 0.03 0.28 -0.16 0.42 0.00 0.00 0.00 175.76 176.33 3h5l s ILE 197 N 0.16 1.56 -0.18 0.00 1.01 0.43 -0.57 121.20 123.60 3h5l s ILE 197 Ca -0.03 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 59.95 3h5l s ILE 197 Cb -0.14 -1.42 0.04 0.00 0.01 0.00 0.00 42.46 40.95 3h5l s ILE 197 CO 0.03 0.45 -0.10 -0.63 0.00 0.00 0.00 174.94 174.70 3h5l s ILE 198 N 0.98 1.53 0.14 2.92 1.01 0.32 -0.70 121.20 127.40 3h5l s ILE 198 Ca -0.06 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 59.80 3h5l s ILE 198 Cb -0.15 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 3h5l s ILE 198 CO -0.02 0.21 -0.18 0.28 0.00 0.00 0.00 174.94 175.23 3h5l s THR 199 N 1.46 1.72 0.94 2.92 -1.32 0.58 -0.39 115.64 121.54 3h5l s THR 199 Ca 0.00 -1.77 -0.14 0.00 -1.21 0.00 0.00 61.69 58.58 3h5l s THR 199 Cb -0.15 -1.70 0.20 0.00 -1.51 0.00 0.00 72.50 69.33 3h5l s THR 199 CO -0.09 -0.25 1.28 -0.83 -2.21 0.00 0.00 174.62 172.53 3h5l s GLY 200 N -2.39 1.79 0.29 6.08 0.00 -1.26 -0.89 107.32 110.94 3h5l s GLY 200 Ca 0.12 -1.33 0.24 0.00 0.00 0.00 0.00 44.72 43.74 3h5l s GLY 200 CO 0.05 -0.57 1.55 -0.56 0.00 0.00 0.00 173.10 173.57 3h5l h PRO 201 N -1.51 0.00 -7.36 2.90 0.13 -1.97 -3.39 132.00 120.81 3h5l h PRO 201 Ca -0.43 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.20 3h5l h PRO 201 Cb 1.23 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.47 3h5l h PRO 201 CO 0.36 0.00 0.35 0.20 -0.23 0.00 0.00 178.00 178.68 3h5l s GLY 202 N -3.95 1.65 0.21 1.56 0.00 -1.26 -4.81 107.32 100.72 3h5l s GLY 202 Ca 0.07 -0.00 -0.10 0.00 0.00 0.00 0.00 44.72 44.69 3h5l s GLY 202 CO 0.67 0.36 1.86 1.19 0.00 0.00 0.00 173.10 177.17 3h5l h ILE 203 N -0.92 1.20 0.29 0.90 -0.00 -1.98 -0.19 117.51 116.82 3h5l h ILE 203 Ca -0.45 -0.43 -0.01 0.00 -0.00 0.00 0.00 64.86 63.97 3h5l h ILE 203 Cb 1.23 0.16 -0.00 0.00 -0.00 0.00 0.00 36.82 38.21 3h5l h ILE 203 CO 0.57 0.21 -0.17 0.22 -0.00 0.00 0.00 178.15 178.98 3h5l h TYR 204 N 1.01 -0.44 -0.64 2.19 3.20 -1.97 0.14 116.97 120.45 3h5l h TYR 204 Ca 0.27 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 3h5l h TYR 204 Cb -0.06 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 3h5l h TYR 204 CO -0.01 -0.27 0.11 0.77 -1.64 0.00 0.00 178.16 177.12 3h5l h SER 205 N -0.44 1.00 -0.31 -2.11 0.02 -1.76 -2.18 113.55 107.77 3h5l h SER 205 Ca -0.03 -0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 60.60 3h5l h SER 205 Cb 0.36 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3h5l h SER 205 CO 0.04 0.99 -0.18 0.58 -1.14 0.00 0.00 176.83 177.12 3h5l h VAL 206 N 0.98 1.29 -0.83 2.27 2.07 -0.88 -0.98 116.25 120.18 3h5l h VAL 206 Ca 0.20 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 3h5l h VAL 206 Cb 0.41 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 3h5l h VAL 206 CO 0.01 0.42 0.43 0.78 0.02 0.00 0.00 177.57 179.23 3h5l h ASN 207 N 0.43 1.06 -0.13 0.57 2.35 -0.62 0.34 115.58 119.59 3h5l h ASN 207 Ca 0.07 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3h5l h ASN 207 Cb 0.71 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 3h5l h ASN 207 CO 0.05 0.88 0.02 0.40 -1.65 0.00 0.00 177.43 177.12 3h5l h ILE 208 N 1.17 1.23 -0.75 2.81 2.04 -1.30 -2.04 117.51 120.67 3h5l h ILE 208 Ca 0.29 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3h5l h ILE 208 Cb 0.07 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 3h5l h ILE 208 CO -0.04 0.21 0.47 0.00 0.00 0.00 0.00 178.15 178.79 3h5l h ALA 209 N 0.79 0.95 -0.02 1.87 0.00 -0.86 -2.37 119.26 119.62 3h5l h ALA 209 Ca 0.04 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3h5l h ALA 209 Cb 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3h5l h ALA 209 CO 0.00 0.40 -0.56 -0.91 0.00 0.00 0.00 179.25 178.18 3h5l h ASN 210 N 1.02 0.07 -0.96 0.00 2.35 -0.91 -0.70 115.58 116.45 3h5l h ASN 210 Ca 0.27 -0.04 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 3h5l h ASN 210 Cb -0.07 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.23 3h5l h ASN 210 CO -0.05 0.61 0.63 0.00 -1.65 0.00 0.00 177.43 176.97 3h5l h ALA 211 N 1.39 1.22 -0.07 -0.83 0.00 -0.91 0.46 119.26 120.51 3h5l h ALA 211 Ca -0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3h5l h ALA 211 Cb 1.00 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3h5l h ALA 211 CO 0.08 0.59 -0.13 0.82 0.00 0.00 0.00 179.25 180.61 3h5l h ILE 212 N 1.28 1.41 -0.45 0.00 2.04 -1.10 -2.36 117.51 118.33 3h5l h ILE 212 Ca 0.35 -1.42 0.04 0.00 1.00 0.00 0.00 64.86 64.84 3h5l h ILE 212 Cb -0.13 2.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 3h5l h ILE 212 CO -0.08 0.40 0.22 -0.09 0.00 0.00 0.00 178.15 178.59 3h5l h ARG 213 N -0.26 0.42 -0.27 2.37 2.43 -0.94 -1.45 114.38 116.68 3h5l h ARG 213 Ca 0.00 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 3h5l h ARG 213 Cb 0.71 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3h5l h ARG 213 CO 0.03 0.28 -0.27 -0.44 -1.51 0.00 0.00 179.97 178.06 3h5l h ASP 214 N 0.44 0.54 0.78 -3.80 3.32 -0.94 -3.16 116.42 113.60 3h5l h ASP 214 Ca 0.20 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h5l h ASP 214 Cb 0.12 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3h5l h ASP 214 CO -0.15 0.80 -0.62 0.61 -1.72 0.00 0.00 179.24 178.16 3h5l n GLY 215 N -0.30 -1.37 0.28 2.75 0.00 -0.89 -4.46 105.19 101.20 3h5l n GLY 215 Ca -0.00 -0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.75 3h5l n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5l h ALA 216 N 2.61 1.02 -0.64 4.61 0.00 -1.23 -3.00 119.26 122.61 3h5l h ALA 216 Ca 0.00 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3h5l h ALA 216 Cb 0.70 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 3h5l h ALA 216 CO 0.00 0.06 0.28 0.78 0.00 0.00 0.00 179.25 180.37 3h5l h GLY 217 N 0.72 0.93 2.00 0.00 0.00 -1.76 -1.29 103.07 103.67 3h5l h GLY 217 Ca 0.34 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3h5l h GLY 217 CO -0.22 0.02 0.00 1.05 0.00 0.00 0.00 176.54 177.39 3h5l h GLU 218 N 0.49 0.00 -0.25 4.80 4.11 -1.84 -1.66 114.58 120.23 3h5l h GLU 218 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.75 3h5l h GLU 218 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3h5l h GLU 218 CO -0.29 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.45 3h5l n TYR 219 N -2.48 0.31 -1.32 2.06 4.02 -0.56 -4.96 117.16 114.24 3h5l n TYR 219 Ca 0.01 -0.16 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 3h5l n TYR 219 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 3h5l n TYR 219 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3h5l n GLY 220 N 1.40 0.49 3.67 2.72 0.00 -0.62 -5.06 105.19 107.79 3h5l n GLY 220 Ca 0.18 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 3h5l n GLY 220 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h5l s TYR 221 N -2.00 3.16 -0.12 1.61 1.51 -0.77 -4.81 117.35 115.94 3h5l s TYR 221 Ca 0.00 0.16 -0.06 0.00 -1.01 0.00 0.00 57.07 56.16 3h5l s TYR 221 Cb 0.00 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 40.00 3h5l s TYR 221 CO 0.00 0.43 0.10 -0.51 -1.11 0.00 0.00 175.55 174.46 3h5l s ASP 222 N -0.75 6.07 -0.54 2.29 1.01 0.17 -3.14 116.67 121.78 3h5l s ASP 222 Ca 0.12 0.36 -0.28 0.00 0.71 0.00 0.00 52.55 53.45 3h5l s ASP 222 Cb -0.12 -1.92 0.02 0.00 1.01 0.00 0.00 42.92 41.91 3h5l s ASP 222 CO 0.02 0.38 1.27 -0.69 0.21 0.00 0.00 175.17 176.37 3h5l s VAL 223 N -0.85 3.96 -0.18 -1.27 1.01 -1.26 -0.88 120.40 120.92 3h5l s VAL 223 Ca 0.14 0.88 0.18 0.00 0.00 0.00 0.00 61.98 63.18 3h5l s VAL 223 Cb -0.12 -4.57 0.15 0.00 0.00 0.00 0.00 36.38 31.85 3h5l s VAL 223 CO 0.03 -1.18 1.54 0.77 0.00 0.00 0.00 175.10 176.26 3h5l h SER 224 N 10.07 0.00 -3.32 3.32 4.64 -1.28 -3.46 113.55 123.53 3h5l h SER 224 Ca -0.25 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.00 3h5l h SER 224 Cb 1.07 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.93 3h5l h SER 224 CO 1.16 0.34 -0.13 -0.22 -0.87 0.00 0.00 176.83 177.11 3h5l s LEU 225 N -6.44 -0.38 -0.20 5.97 2.96 -1.22 -5.00 118.68 114.36 3h5l s LEU 225 Ca 0.04 1.16 -0.00 0.00 -0.22 0.00 0.00 54.13 55.11 3h5l s LEU 225 Cb 0.07 1.83 0.05 0.00 0.50 0.00 0.00 46.19 48.64 3h5l s LEU 225 CO 0.71 -0.21 -0.05 0.12 -1.32 0.00 0.00 176.35 175.60 3h5l s PHE 226 N 1.21 1.98 -0.08 5.38 5.36 -1.25 -0.43 117.98 130.14 3h5l s PHE 226 Ca -0.07 -1.37 0.02 0.00 -0.96 0.00 0.00 56.93 54.54 3h5l s PHE 226 Cb -0.06 -1.42 0.01 0.00 -0.34 0.00 0.00 43.02 41.21 3h5l s PHE 226 CO -0.12 -0.69 -0.12 -2.00 -1.46 0.00 0.00 175.22 170.83 3h5l s GLU 227 N 1.54 1.72 -0.18 10.12 2.56 0.13 -5.01 118.70 129.57 3h5l s GLU 227 Ca -0.02 -0.40 -0.05 0.00 0.00 0.00 0.00 54.97 54.49 3h5l s GLU 227 Cb -0.17 -1.47 -0.03 0.00 2.00 0.00 0.00 34.13 34.46 3h5l s GLU 227 CO -0.07 -0.02 0.01 0.99 -0.56 0.00 0.00 175.26 175.60 3h5l s THR 228 N 0.85 4.18 0.18 -1.70 2.01 -1.26 -0.31 115.64 119.60 3h5l s THR 228 Ca -0.11 -0.24 0.09 0.00 0.31 0.00 0.00 61.69 61.73 3h5l s THR 228 Cb -0.15 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 3h5l s THR 228 CO 0.01 0.45 -0.09 0.68 -0.69 0.00 0.00 174.62 174.99 3h5l s VAL 229 N 0.67 3.21 0.39 3.82 -7.23 -0.06 -4.97 120.40 116.23 3h5l s VAL 229 Ca 0.00 -1.67 -0.23 0.00 -1.81 0.00 0.00 61.98 58.28 3h5l s VAL 229 Cb -0.14 -2.59 -0.10 0.00 0.56 0.00 0.00 36.38 34.10 3h5l s VAL 229 CO 0.02 -0.12 0.95 0.00 -0.31 0.00 0.00 175.10 175.64 3h5l s ALA 230 N -1.73 3.10 0.09 1.32 0.00 -1.26 -3.88 121.76 119.39 3h5l s ALA 230 Ca 0.25 0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.73 3h5l s ALA 230 Cb -0.09 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 3h5l s ALA 230 CO 0.15 0.12 -0.16 0.96 0.00 0.00 0.00 175.76 176.84 3h5l s ILE 231 N -1.95 1.28 0.74 0.00 -4.36 -1.26 -4.00 121.20 111.64 3h5l s ILE 231 Ca 0.58 -1.44 -0.12 0.00 -0.26 0.00 0.00 60.65 59.41 3h5l s ILE 231 Cb -0.13 -1.27 0.04 0.00 1.25 0.00 0.00 42.46 42.35 3h5l s ILE 231 CO 0.18 -0.23 1.10 -2.16 0.24 0.00 0.00 174.94 174.07 3h5l s PRO 232 N -1.96 2.39 -0.08 0.37 0.04 -1.26 -5.11 135.00 129.39 3h5l s PRO 232 Ca 0.02 1.28 -0.23 0.00 0.04 0.00 0.00 61.00 62.11 3h5l s PRO 232 Cb -0.09 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 3h5l s PRO 232 CO 0.03 -1.56 0.70 0.08 0.04 0.00 0.00 177.00 176.30 3h5l s VAL 233 N -2.67 5.04 -0.13 -0.36 1.01 -1.26 -4.94 120.40 117.09 3h5l s VAL 233 Ca 0.64 1.44 0.21 0.00 0.00 0.00 0.00 61.98 64.26 3h5l s VAL 233 Cb -0.19 -4.04 -0.19 0.00 0.00 0.00 0.00 36.38 31.96 3h5l s VAL 233 CO 0.51 0.23 0.67 -1.54 0.00 0.00 0.00 175.10 174.96 3h5l n SER 234 N 3.95 0.41 -3.65 3.32 3.41 -1.26 -4.92 113.62 114.89 3h5l n SER 234 Ca -0.01 0.17 -0.04 0.00 -0.26 0.00 0.00 58.87 58.73 3h5l n SER 234 Cb 0.51 1.09 -0.05 0.00 -0.26 0.00 0.00 64.21 65.49 3h5l n SER 234 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h5l s ASP 235 N -5.11 -1.04 0.00 4.04 2.15 -1.26 -5.01 116.67 110.43 3h5l s ASP 235 Ca -0.05 1.54 0.15 0.00 0.43 0.00 0.00 52.55 54.62 3h5l s ASP 235 Cb 0.11 1.89 0.48 0.00 -0.30 0.00 0.00 42.92 45.11 3h5l s ASP 235 CO 0.85 -0.23 1.38 0.79 -0.17 0.00 0.00 175.17 177.79 3h5l n TRP 236 N 4.97 0.42 -0.17 -5.34 7.02 -1.26 -4.67 117.44 118.41 3h5l n TRP 236 Ca -0.15 -0.21 -0.04 0.00 -1.02 0.00 0.00 57.50 56.07 3h5l n TRP 236 Cb 0.53 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.44 3h5l n TRP 236 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 3h5l h GLY 237 N 5.07 0.05 0.78 6.99 0.00 -1.98 0.10 103.07 114.09 3h5l h GLY 237 Ca 0.00 0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.70 3h5l h GLY 237 CO 0.00 -0.22 0.37 -2.55 0.00 0.00 0.00 176.54 174.14 3h5l h PRO 238 N -0.14 0.68 -0.20 4.80 0.11 -2.00 0.11 132.00 135.36 3h5l h PRO 238 Ca 0.23 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 3h5l h PRO 238 Cb 0.50 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 3h5l h PRO 238 CO -0.60 0.45 0.03 1.15 -0.21 0.00 0.00 178.00 178.82 3h5l h THR 239 N 0.70 1.23 -0.95 -1.15 2.02 -1.75 -2.78 112.91 110.23 3h5l h THR 239 Ca 0.27 -0.75 0.06 0.00 0.77 0.00 0.00 66.41 66.76 3h5l h THR 239 Cb 0.10 1.32 -0.06 0.00 -1.74 0.00 0.00 68.15 67.77 3h5l h THR 239 CO -0.14 0.23 0.62 -0.07 0.37 0.00 0.00 175.52 176.53 3h5l h LEU 240 N 0.14 0.99 -0.90 2.58 3.38 -0.31 -0.95 115.31 120.23 3h5l h LEU 240 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3h5l h LEU 240 Cb 0.32 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3h5l h LEU 240 CO 0.00 0.64 0.44 0.00 0.09 0.00 0.00 178.44 179.62 3h5l h ALA 241 N 1.47 1.15 -0.33 1.53 0.00 -0.64 -0.48 119.26 121.96 3h5l h ALA 241 Ca 0.40 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3h5l h ALA 241 Cb 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3h5l h ALA 241 CO -0.15 0.66 0.05 0.87 0.00 0.00 0.00 179.25 180.69 3h5l h LYS 242 N 1.22 0.55 -0.34 0.00 1.57 -1.05 -0.36 116.57 118.15 3h5l h LYS 242 Ca 0.30 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 3h5l h LYS 242 Cb 0.08 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3h5l h LYS 242 CO -0.04 0.63 0.16 -0.07 -0.57 0.00 0.00 179.45 179.55 3h5l h LEU 243 N 0.38 0.22 -0.88 2.94 3.38 -0.98 -2.69 115.31 117.67 3h5l h LEU 243 Ca 0.10 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 3h5l h LEU 243 Cb 0.35 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3h5l h LEU 243 CO 0.01 0.16 -0.55 0.03 0.09 0.00 0.00 178.44 178.18 3h5l h ARG 244 N 0.33 0.03 0.00 1.13 3.08 -0.89 -1.48 114.38 116.57 3h5l h ARG 244 Ca 0.15 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3h5l h ARG 244 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3h5l h ARG 244 CO -0.12 0.57 0.00 0.00 -1.07 0.00 0.00 179.97 179.35 3h5l h ALA 245 N 1.43 1.00 -0.69 0.04 0.00 -0.89 -3.37 119.26 116.78 3h5l h ALA 245 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 3h5l h ALA 245 Cb 0.98 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.54 3h5l h ALA 245 CO 0.07 0.00 -0.70 -3.47 0.00 0.00 0.00 179.25 175.15 3h5l n ASP 246 N -3.04 -1.64 -4.50 0.00 2.03 -0.78 -5.09 116.55 103.52 3h5l n ASP 246 Ca -0.01 -3.23 -0.51 0.00 0.52 0.00 0.00 54.79 51.57 3h5l n ASP 246 Cb 0.21 1.01 -0.07 0.00 -0.72 0.00 0.00 41.12 41.55 3h5l n ASP 246 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3h5l n PRO 247 N 1.14 1.24 -2.28 -0.67 -0.02 -0.63 -4.80 135.00 128.99 3h5l n PRO 247 Ca 0.13 0.37 -0.28 0.00 -2.02 0.00 0.00 63.50 61.70 3h5l n PRO 247 Cb 0.63 -2.48 0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3h5l n PRO 247 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3h5l s PRO 248 N 5.73 3.17 0.29 0.52 0.04 -1.26 -4.93 135.00 138.56 3h5l s PRO 248 Ca 1.06 0.25 0.08 0.00 0.04 0.00 0.00 61.00 62.43 3h5l s PRO 248 Cb -0.84 -2.22 0.44 0.00 0.04 0.00 0.00 34.50 31.92 3h5l s PRO 248 CO 0.50 -0.62 1.68 0.00 0.04 0.00 0.00 177.00 178.61 3h5l h ALA 249 N -0.18 1.08 -3.55 8.56 0.00 -1.26 -3.36 119.26 120.54 3h5l h ALA 249 Ca -0.45 -0.45 -0.29 0.00 0.00 0.00 0.00 54.91 53.71 3h5l h ALA 249 Cb 1.23 -0.09 -0.33 0.00 0.00 0.00 0.00 17.79 18.60 3h5l h ALA 249 CO 0.62 0.63 -0.73 0.08 0.00 0.00 0.00 179.25 179.84 3h5l s VAL 250 N -3.99 -0.04 -0.16 0.00 1.01 -1.13 -0.62 120.40 115.46 3h5l s VAL 250 Ca -0.04 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 3h5l s VAL 250 Cb 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 36.38 36.43 3h5l s VAL 250 CO 0.77 0.08 -0.14 -0.63 0.00 0.00 0.00 175.10 175.18 3h5l s ILE 251 N 0.93 2.75 -0.17 2.22 1.01 0.10 -0.72 121.20 127.32 3h5l s ILE 251 Ca -0.08 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 3h5l s ILE 251 Cb -0.11 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 3h5l s ILE 251 CO -0.03 0.50 -0.10 -0.69 0.00 0.00 0.00 174.94 174.63 3h5l s VAL 252 N 0.91 3.07 -0.30 2.92 1.01 0.26 -0.97 120.40 127.29 3h5l s VAL 252 Ca -0.03 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 3h5l s VAL 252 Cb -0.15 -2.34 0.05 0.00 0.00 0.00 0.00 36.38 33.94 3h5l s VAL 252 CO -0.01 0.49 0.01 -0.69 0.00 0.00 0.00 175.10 174.90 3h5l s VAL 253 N 0.93 3.12 -0.72 2.92 1.01 -0.51 -0.52 120.40 126.61 3h5l s VAL 253 Ca -0.02 -1.32 0.23 0.00 0.00 0.00 0.00 61.98 60.88 3h5l s VAL 253 Cb -0.15 -2.77 -0.08 0.00 0.00 0.00 0.00 36.38 33.38 3h5l s VAL 253 CO -0.00 -0.10 1.13 0.35 0.00 0.00 0.00 175.10 176.48 3h5l n THR 254 N 4.66 0.15 -1.86 3.92 -2.24 0.48 -0.98 114.28 118.40 3h5l n THR 254 Ca -0.13 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.05 3h5l n THR 254 Cb 0.44 0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 3h5l n THR 254 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3h5l s HIS 255 N -3.14 2.97 -0.56 4.78 5.04 -1.24 -4.56 115.29 118.60 3h5l s HIS 255 Ca 0.06 0.61 0.05 0.00 -1.54 0.00 0.00 55.06 54.24 3h5l s HIS 255 Cb 0.15 -4.00 0.01 0.00 0.04 0.00 0.00 32.58 28.79 3h5l s HIS 255 CO 0.78 -3.62 0.53 1.97 -2.34 0.00 0.00 174.74 172.06 3h5l n PHE 256 N 3.56 0.00 -2.04 3.88 1.16 -1.26 -4.56 117.46 118.20 3h5l n PHE 256 Ca 0.13 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.29 3h5l n PHE 256 Cb 0.38 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.22 3h5l n PHE 256 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 3h5l s TYR 257 N -0.78 2.97 0.29 2.97 2.02 -1.26 -2.69 117.35 120.87 3h5l s TYR 257 Ca 0.05 0.69 -0.00 0.00 -0.37 0.00 0.00 57.07 57.44 3h5l s TYR 257 Cb 0.04 -3.83 0.45 0.00 -0.40 0.00 0.00 41.96 38.22 3h5l s TYR 257 CO 0.11 -3.08 1.85 -1.00 -1.57 0.00 0.00 175.55 171.86 3h5l h PRO 258 N 7.21 0.79 -0.30 -1.71 0.13 -1.94 -1.26 132.00 134.92 3h5l h PRO 258 Ca -0.42 -0.15 -0.05 0.00 -0.87 0.00 0.00 66.00 64.51 3h5l h PRO 258 Cb 1.20 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3h5l h PRO 258 CO 0.90 0.70 -0.01 1.96 -0.23 0.00 0.00 178.00 181.32 3h5l h GLN 259 N 0.77 0.54 -0.82 0.86 7.50 -1.90 -0.95 115.11 121.11 3h5l h GLN 259 Ca 0.17 -0.18 -0.03 0.00 0.50 0.00 0.00 58.65 59.11 3h5l h GLN 259 Cb 0.26 -0.04 -0.04 0.00 0.05 0.00 0.00 27.48 27.71 3h5l h GLN 259 CO -0.01 0.69 0.39 -0.44 -1.50 0.00 0.00 178.83 177.97 3h5l h ASP 260 N 0.32 1.07 -0.58 1.46 5.19 -1.85 -0.92 116.42 121.12 3h5l h ASP 260 Ca 0.08 -0.13 -0.07 0.00 -0.62 0.00 0.00 57.03 56.30 3h5l h ASP 260 Cb 0.46 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.67 3h5l h ASP 260 CO 0.02 0.91 0.12 1.56 -3.12 0.00 0.00 179.24 178.72 3h5l h GLN 261 N 1.17 0.98 -0.42 3.56 4.20 -1.01 -0.35 115.11 123.24 3h5l h GLN 261 Ca 0.28 -0.23 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 3h5l h GLN 261 Cb 0.12 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3h5l h GLN 261 CO -0.03 0.89 -0.09 0.00 -0.67 0.00 0.00 178.83 178.93 3h5l h ALA 262 N 1.19 0.58 -0.73 3.87 0.00 -0.79 -1.59 119.26 121.79 3h5l h ALA 262 Ca 0.19 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3h5l h ALA 262 Cb 0.38 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3h5l h ALA 262 CO 0.01 0.45 0.48 1.25 0.00 0.00 0.00 179.25 181.43 3h5l h LEU 263 N 0.63 0.80 -0.33 0.00 5.85 -1.00 0.01 115.31 121.28 3h5l h LEU 263 Ca 0.11 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.88 3h5l h LEU 263 Cb 0.62 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 3h5l h LEU 263 CO 0.04 0.57 -0.03 0.15 -0.34 0.00 0.00 178.44 178.83 3h5l h PHE 264 N 0.95 -0.08 -0.42 1.25 3.57 -0.66 -1.30 116.94 120.24 3h5l h PHE 264 Ca 0.28 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.70 3h5l h PHE 264 Cb -0.05 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3h5l h PHE 264 CO -0.03 -0.10 -0.17 0.52 -2.23 0.00 0.00 178.31 176.31 3h5l h MET 265 N 0.05 0.81 -0.30 1.11 2.86 -0.73 0.31 114.93 119.05 3h5l h MET 265 Ca 0.16 -0.30 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 3h5l h MET 265 Cb 0.23 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3h5l h MET 265 CO -0.30 0.92 -0.13 -0.91 1.06 0.00 0.00 176.91 177.55 3h5l h ASN 266 N 0.71 0.49 0.40 1.22 2.35 -0.67 -0.91 115.58 119.19 3h5l h ASN 266 Ca 0.11 -0.13 -0.30 0.00 -0.55 0.00 0.00 56.30 55.43 3h5l h ASN 266 Cb 0.68 -0.13 0.02 0.00 0.05 0.00 0.00 38.32 38.94 3h5l h ASN 266 CO 0.05 0.66 -1.33 1.56 -1.65 0.00 0.00 177.43 176.72 3h5l h GLN 267 N 0.47 0.44 -0.56 0.81 4.20 -0.96 -3.32 115.11 116.18 3h5l h GLN 267 Ca 0.08 -0.70 0.05 0.00 0.06 0.00 0.00 58.65 58.14 3h5l h GLN 267 Cb 0.51 0.25 -0.05 0.00 0.30 0.00 0.00 27.48 28.50 3h5l h GLN 267 CO 0.03 1.33 0.29 0.35 -0.67 0.00 0.00 178.83 180.16 3h5l h PHE 268 N 0.14 0.53 0.00 2.96 3.57 -0.21 -2.96 116.94 120.97 3h5l h PHE 268 Ca -0.19 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.33 3h5l h PHE 268 Cb 2.03 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.61 3h5l h PHE 268 CO 0.10 0.25 0.00 -1.33 -2.23 0.00 0.00 178.31 175.10 3h5l n MET 269 N -4.86 0.57 0.16 1.11 2.81 -0.36 -1.58 117.12 114.96 3h5l n MET 269 Ca 0.06 0.03 0.13 0.00 -1.81 0.00 0.00 57.70 56.11 3h5l n MET 269 Cb 0.15 -1.50 0.46 0.00 -0.71 0.00 0.00 33.22 31.62 3h5l n MET 269 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3h5l h THR 270 N 0.00 0.00 -0.21 2.03 1.35 -1.65 -3.39 112.91 111.05 3h5l h THR 270 Ca 0.00 -0.45 -0.10 0.00 -0.55 0.00 0.00 66.41 65.31 3h5l h THR 270 Cb 0.11 1.34 -0.14 0.00 -1.73 0.00 0.00 68.15 67.73 3h5l h THR 270 CO 0.00 0.00 -0.25 -0.67 -0.25 0.00 0.00 175.52 174.35 3h5l n ASP 271 N -2.48 -2.10 -4.77 5.36 2.03 -0.62 -5.16 116.55 108.82 3h5l n ASP 271 Ca 0.03 -2.16 -0.39 0.00 0.52 0.00 0.00 54.79 52.79 3h5l n ASP 271 Cb 0.34 1.18 -0.05 0.00 -0.72 0.00 0.00 41.12 41.87 3h5l n ASP 271 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3h5l s PRO 272 N 0.59 4.58 0.57 -0.67 0.04 -0.90 -4.96 135.00 134.26 3h5l s PRO 272 Ca 0.28 1.58 -0.15 0.00 0.04 0.00 0.00 61.00 62.75 3h5l s PRO 272 Cb 0.16 -3.01 -0.05 0.00 0.04 0.00 0.00 34.50 31.65 3h5l s PRO 272 CO -0.13 0.23 1.03 0.95 0.04 0.00 0.00 177.00 179.11 3h5l s THR 273 N -1.35 4.23 -1.33 1.26 -4.23 -1.26 -4.96 115.64 107.98 3h5l s THR 273 Ca 0.47 0.99 -0.17 0.00 -1.18 0.00 0.00 61.69 61.80 3h5l s THR 273 Cb -0.26 -3.58 0.04 0.00 1.34 0.00 0.00 72.50 70.05 3h5l s THR 273 CO 0.33 -0.69 1.93 -3.20 -0.54 0.00 0.00 174.62 172.45 3h5l n ASN 274 N -2.04 4.38 -3.83 3.99 4.05 -1.26 -4.80 115.26 115.76 3h5l n ASN 274 Ca 0.07 -2.87 -0.13 0.00 0.45 0.00 0.00 54.58 52.11 3h5l n ASN 274 Cb 0.53 -1.70 -0.14 0.00 1.23 0.00 0.00 39.78 39.71 3h5l n ASN 274 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 3h5l s SER 275 N 4.00 -0.06 0.21 1.20 0.01 -1.26 -4.52 113.70 113.29 3h5l s SER 275 Ca 0.52 0.13 -0.30 0.00 1.31 0.00 0.00 55.95 57.62 3h5l s SER 275 Cb 0.08 0.11 -0.09 0.00 0.21 0.00 0.00 66.02 66.33 3h5l s SER 275 CO 0.02 -0.04 1.32 -0.22 0.41 0.00 0.00 173.24 174.73 3h5l s LEU 276 N 0.23 4.42 -0.14 2.44 0.20 0.21 -4.84 118.68 121.21 3h5l s LEU 276 Ca -0.02 2.44 0.01 0.00 0.69 0.00 0.00 54.13 57.25 3h5l s LEU 276 Cb -0.03 -3.61 -0.01 0.00 -0.43 0.00 0.00 46.19 42.11 3h5l s LEU 276 CO -0.01 -0.53 -0.16 -0.69 -0.29 0.00 0.00 176.35 174.67 3h5l s VAL 277 N -0.02 2.74 -0.11 1.68 1.01 -1.26 0.00 120.40 124.45 3h5l s VAL 277 Ca 0.56 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3h5l s VAL 277 Cb -0.37 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 33.87 3h5l s VAL 277 CO 0.40 0.52 -0.23 -0.47 0.00 0.00 0.00 175.10 175.32 3h5l s TYR 278 N 0.56 2.59 -0.15 5.22 5.04 -0.15 -1.75 117.35 128.72 3h5l s TYR 278 Ca -0.10 -1.05 0.02 0.00 -2.44 0.00 0.00 57.07 53.50 3h5l s TYR 278 Cb -0.16 -1.73 0.01 0.00 0.35 0.00 0.00 41.96 40.43 3h5l s TYR 278 CO 0.04 -0.43 -0.21 -0.51 -1.34 0.00 0.00 175.55 173.10 3h5l s LEU 279 N 0.40 2.17 -0.18 6.97 1.43 -0.60 -1.43 118.68 127.44 3h5l s LEU 279 Ca -0.17 -0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 52.05 3h5l s LEU 279 Cb -0.18 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 3h5l s LEU 279 CO 0.07 0.07 1.21 -1.58 0.23 0.00 0.00 176.35 176.36 3h5l s GLN 280 N 0.85 4.24 0.00 1.70 2.00 -0.16 -4.46 119.66 123.83 3h5l s GLN 280 Ca -0.06 1.59 0.00 0.00 -2.00 0.00 0.00 55.36 54.89 3h5l s GLN 280 Cb -0.15 -3.73 0.00 0.00 0.80 0.00 0.00 33.01 29.93 3h5l s GLN 280 CO -0.02 -0.68 0.00 0.98 -0.50 0.00 0.00 175.29 175.06 3h5l n TYR 281 N 6.51 0.00 -0.14 1.67 9.36 -1.26 -4.30 117.16 129.00 3h5l n TYR 281 Ca 0.13 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.44 3h5l n TYR 281 Cb 0.45 0.00 0.41 0.00 -0.63 0.00 0.00 39.34 39.57 3h5l n TYR 281 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 3h5l h GLY 282 N 0.00 0.81 2.00 2.98 0.00 -1.76 -0.64 103.07 106.47 3h5l h GLY 282 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3h5l h GLY 282 CO 0.00 0.17 0.00 0.00 0.00 0.00 0.00 176.54 176.71 3h5l n ALA 283 N -2.47 1.46 0.86 3.60 0.00 -1.26 -1.76 120.51 120.94 3h5l n ALA 283 Ca 0.10 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.71 3h5l n ALA 283 Cb 0.28 -1.28 0.50 0.00 0.00 0.00 0.00 19.45 18.95 3h5l n ALA 283 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3h5l n SER 284 N -1.94 0.00 -4.67 0.00 3.41 -0.25 -4.79 113.62 105.38 3h5l n SER 284 Ca 0.02 0.33 -0.33 0.00 -0.26 0.00 0.00 58.87 58.62 3h5l n SER 284 Cb 0.15 -0.43 -0.09 0.00 -0.26 0.00 0.00 64.21 63.58 3h5l n SER 284 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3h5l s LEU 285 N -2.86 3.46 0.33 1.04 1.43 -0.72 -4.98 118.68 116.38 3h5l s LEU 285 Ca 0.14 -0.02 0.09 0.00 -1.03 0.00 0.00 54.13 53.32 3h5l s LEU 285 Cb 0.15 -1.96 0.84 0.00 0.03 0.00 0.00 46.19 45.24 3h5l s LEU 285 CO 0.38 0.29 1.78 0.00 0.23 0.00 0.00 176.35 179.04 3h5l h ALA 286 N 4.45 1.82 -1.01 4.21 0.00 -1.89 -1.63 119.26 125.21 3h5l h ALA 286 Ca -0.49 0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.56 3h5l h ALA 286 Cb 1.18 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 3h5l h ALA 286 CO 0.56 -0.20 0.65 0.00 0.00 0.00 0.00 179.25 180.27 3h5l h ALA 287 N 1.65 1.40 -0.20 0.00 0.00 -1.95 0.21 119.26 120.37 3h5l h ALA 287 Ca 0.57 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 3h5l h ALA 287 Cb 1.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3h5l h ALA 287 CO -0.35 0.45 0.11 0.35 0.00 0.00 0.00 179.25 179.81 3h5l h PHE 288 N 1.18 0.27 -0.18 0.00 3.57 -1.51 -1.98 116.94 118.29 3h5l h PHE 288 Ca 0.43 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.83 3h5l h PHE 288 Cb 0.17 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3h5l h PHE 288 CO -0.00 0.23 -0.34 0.00 -2.23 0.00 0.00 178.31 175.97 3h5l h ARG 289 N 0.23 0.37 -0.41 1.11 3.08 -1.24 -0.28 114.38 117.24 3h5l h ARG 289 Ca 0.07 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 3h5l h ARG 289 Cb 0.05 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3h5l h ARG 289 CO -0.01 0.67 0.10 -0.44 -1.07 0.00 0.00 179.97 179.22 3h5l h ASP 290 N 0.32 0.62 0.19 7.04 3.32 -0.44 -0.19 116.42 127.29 3h5l h ASP 290 Ca 0.04 -0.24 -0.26 0.00 0.02 0.00 0.00 57.03 56.60 3h5l h ASP 290 Cb 0.76 -0.16 0.03 0.00 0.22 0.00 0.00 39.33 40.17 3h5l h ASP 290 CO 0.06 0.69 -1.12 0.40 -1.72 0.00 0.00 179.24 177.55 3h5l h ILE 291 N 0.52 1.41 0.00 0.35 2.04 -1.23 -3.30 117.51 117.29 3h5l h ILE 291 Ca 0.13 -2.60 -0.08 0.00 1.00 0.00 0.00 64.86 63.31 3h5l h ILE 291 Cb 0.32 3.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.51 3h5l h ILE 291 CO 0.00 0.76 -0.36 0.00 0.00 0.00 0.00 178.15 178.55 3h5l h ALA 292 N 0.12 0.94 -0.91 1.87 0.00 -1.12 -3.48 119.26 116.68 3h5l h ALA 292 Ca -0.19 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3h5l h ALA 292 Cb 1.88 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.61 3h5l h ALA 292 CO 0.21 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.33 3h5l n GLY 293 N 0.39 3.16 0.32 0.00 0.00 -0.08 -1.76 105.19 107.22 3h5l n GLY 293 Ca 0.00 -0.23 0.20 0.00 0.00 0.00 0.00 46.02 45.99 3h5l n GLY 293 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h5l h ASP 294 N 4.93 0.00 0.33 1.61 3.32 -1.94 -1.58 116.42 123.09 3h5l h ASP 294 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h5l h ASP 294 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3h5l h ASP 294 CO 0.00 0.01 0.00 0.59 -1.72 0.00 0.00 179.24 178.12 3h5l n ASN 295 N -3.19 0.00 0.22 6.45 3.02 -0.72 -2.15 115.26 118.88 3h5l n ASN 295 Ca -0.02 0.45 0.12 0.00 -0.03 0.00 0.00 54.58 55.09 3h5l n ASN 295 Cb 0.13 -0.47 0.16 0.00 -0.61 0.00 0.00 39.78 39.00 3h5l n ASN 295 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3h5l h SER 296 N 0.00 0.00 -2.75 6.41 4.64 -1.41 -3.46 113.55 116.98 3h5l h SER 296 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3h5l h SER 296 Cb 0.16 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3h5l h SER 296 CO 0.00 0.01 0.95 -0.69 -0.87 0.00 0.00 176.83 176.23 3h5l s VAL 297 N -3.21 3.25 0.00 0.95 1.01 -0.91 -2.50 120.40 118.99 3h5l s VAL 297 Ca 0.07 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.72 3h5l s VAL 297 Cb 0.05 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3h5l s VAL 297 CO 0.67 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.38 3h5l n GLY 298 N 3.90 2.70 3.77 4.51 0.00 0.03 -4.47 105.19 115.63 3h5l n GLY 298 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3h5l n GLY 298 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h5l s VAL 299 N -2.49 2.32 0.20 1.61 1.01 -1.04 -4.70 120.40 117.30 3h5l s VAL 299 Ca 0.00 0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.36 3h5l s VAL 299 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3h5l s VAL 299 CO 0.00 0.07 0.08 0.42 0.00 0.00 0.00 175.10 175.67 3h5l s THR 300 N -1.16 4.07 0.33 3.92 -4.23 -0.71 -1.16 115.64 116.71 3h5l s THR 300 Ca 0.53 -1.37 -0.17 0.00 -1.18 0.00 0.00 61.69 59.51 3h5l s THR 300 Cb -0.43 -3.10 0.04 0.00 1.34 0.00 0.00 72.50 70.34 3h5l s THR 300 CO 0.57 -0.19 0.73 -0.72 -0.54 0.00 0.00 174.62 174.48 3h5l s TYR 301 N -1.88 0.04 0.18 3.99 -0.85 -0.85 -1.56 117.35 116.41 3h5l s TYR 301 Ca 0.30 -0.59 -0.23 0.00 -0.52 0.00 0.00 57.07 56.03 3h5l s TYR 301 Cb -0.09 0.71 0.06 0.00 0.38 0.00 0.00 41.96 43.03 3h5l s TYR 301 CO 0.21 -1.38 0.64 0.00 -1.52 0.00 0.00 175.55 173.50 3h5l s ALA 302 N -3.11 -1.54 0.01 9.51 0.00 -1.26 -0.56 121.76 124.81 3h5l s ALA 302 Ca 0.15 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.46 3h5l s ALA 302 Cb -0.05 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 3h5l s ALA 302 CO 0.10 -0.82 -0.04 -0.08 0.00 0.00 0.00 175.76 174.92 3h5l s THR 303 N -3.75 0.24 -1.01 0.00 -1.32 -0.19 -4.59 115.64 105.03 3h5l s THR 303 Ca 0.03 -0.49 0.27 0.00 -1.21 0.00 0.00 61.69 60.29 3h5l s THR 303 Cb -0.02 -0.28 0.13 0.00 -1.51 0.00 0.00 72.50 70.82 3h5l s THR 303 CO -0.09 -0.17 1.69 1.33 -2.21 0.00 0.00 174.62 175.18 3h5l n VAL 304 N 2.37 0.00 -3.42 5.08 0.24 -1.26 -1.03 118.33 120.31 3h5l n VAL 304 Ca -0.17 -0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.00 3h5l n VAL 304 Cb 0.57 -0.14 -0.10 0.00 -1.47 0.00 0.00 33.84 32.70 3h5l n VAL 304 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3h5l s LEU 305 N -2.99 -0.45 0.20 1.34 0.20 -1.26 -4.61 118.68 111.10 3h5l s LEU 305 Ca 0.13 0.11 -0.15 0.00 0.69 0.00 0.00 54.13 54.91 3h5l s LEU 305 Cb 0.18 0.87 0.01 0.00 -0.43 0.00 0.00 46.19 46.82 3h5l s LEU 305 CO 0.61 -0.30 0.47 -0.83 -0.29 0.00 0.00 176.35 176.00 3h5l s GLY 306 N 2.47 0.13 0.07 7.98 0.00 -1.26 -5.01 107.32 111.70 3h5l s GLY 306 Ca 0.10 -0.48 -0.31 0.00 0.00 0.00 0.00 44.72 44.04 3h5l s GLY 306 CO -0.14 -0.44 1.52 -1.59 0.00 0.00 0.00 173.10 172.44 3h5l s THR 307 N -3.92 3.23 0.79 0.90 2.01 -1.26 -4.29 115.64 113.09 3h5l s THR 307 Ca 0.13 0.74 -0.11 0.00 0.31 0.00 0.00 61.69 62.76 3h5l s THR 307 Cb -0.00 -3.48 0.06 0.00 0.01 0.00 0.00 72.50 69.10 3h5l s THR 307 CO -0.00 0.02 1.10 -0.76 -0.69 0.00 0.00 174.62 174.28 3h5l s LEU 308 N 2.07 2.63 -0.32 4.42 1.43 -0.77 -4.98 118.68 123.16 3h5l s LEU 308 Ca 0.69 1.30 0.08 0.00 -1.03 0.00 0.00 54.13 55.16 3h5l s LEU 308 Cb -0.37 -3.93 0.50 0.00 0.03 0.00 0.00 46.19 42.41 3h5l s LEU 308 CO 0.30 -1.92 1.48 0.00 0.23 0.00 0.00 176.35 176.44 3h5l n GLN 309 N -3.40 2.11 -1.18 1.70 6.02 -1.26 -3.65 117.38 117.71 3h5l n GLN 309 Ca 0.07 -3.33 -0.11 0.00 -0.01 0.00 0.00 57.00 53.62 3h5l n GLN 309 Cb 0.56 -1.91 0.07 0.00 1.02 0.00 0.00 30.24 29.98 3h5l n GLN 309 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3h5l n ASP 310 N -1.07 0.34 -0.09 1.08 5.75 -1.26 -4.74 116.55 116.57 3h5l n ASP 310 Ca 0.37 -1.37 -0.06 0.00 -0.01 0.00 0.00 54.79 53.72 3h5l n ASP 310 Cb 1.01 -0.36 0.01 0.00 -1.03 0.00 0.00 41.12 40.75 3h5l n ASP 310 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3h5l h GLU 311 N 0.00 0.10 -0.52 0.11 4.81 -1.99 0.77 114.58 117.86 3h5l h GLU 311 Ca -0.16 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 3h5l h GLU 311 Cb 0.53 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3h5l h GLU 311 CO 0.15 0.07 0.17 1.98 -0.73 0.00 0.00 179.01 180.64 3h5l h MET 312 N 0.10 0.80 -0.17 1.92 4.05 -1.94 -0.28 114.93 119.41 3h5l h MET 312 Ca 0.16 -0.17 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 3h5l h MET 312 Cb 0.21 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 3h5l h MET 312 CO -0.26 0.74 0.01 0.78 0.23 0.00 0.00 176.91 178.41 3h5l h GLY 313 N 0.71 0.33 0.68 1.39 0.00 -1.65 -2.15 103.07 102.37 3h5l h GLY 313 Ca 0.17 -0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.33 3h5l h GLY 313 CO -0.01 0.22 0.55 -0.55 0.00 0.00 0.00 176.54 176.75 3h5l h ASP 314 N 0.06 0.86 -0.87 0.19 3.32 -0.75 -1.26 116.42 117.97 3h5l h ASP 314 Ca 0.05 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3h5l h ASP 314 Cb 0.37 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 3h5l h ASP 314 CO 0.01 0.53 0.46 0.00 -1.72 0.00 0.00 179.24 178.52 3h5l h ALA 315 N 1.43 1.11 -0.16 3.45 0.00 -0.86 0.02 119.26 124.26 3h5l h ALA 315 Ca 0.40 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3h5l h ALA 315 Cb 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3h5l h ALA 315 CO -0.19 0.64 0.02 0.35 0.00 0.00 0.00 179.25 180.07 3h5l h PHE 316 N 1.22 0.29 -0.89 0.00 3.57 -0.76 -1.98 116.94 118.39 3h5l h PHE 316 Ca 0.30 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 3h5l h PHE 316 Cb 0.06 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 3h5l h PHE 316 CO 0.01 0.45 0.47 0.00 -2.23 0.00 0.00 178.31 177.01 3h5l h ALA 317 N 0.80 1.14 -0.31 2.41 0.00 -0.96 0.69 119.26 123.03 3h5l h ALA 317 Ca 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3h5l h ALA 317 Cb 0.33 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3h5l h ALA 317 CO 0.00 0.66 0.05 -0.22 0.00 0.00 0.00 179.25 179.75 3h5l h LYS 318 N 1.25 0.51 -0.66 0.00 3.64 -0.91 -1.04 116.57 119.36 3h5l h LYS 318 Ca 0.31 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 3h5l h LYS 318 Cb 0.05 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3h5l h LYS 318 CO -0.05 0.60 0.13 0.00 -2.27 0.00 0.00 179.45 177.86 3h5l h ALA 319 N 0.88 0.87 -0.57 5.00 0.00 -1.06 -1.18 119.26 123.21 3h5l h ALA 319 Ca 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3h5l h ALA 319 Cb 0.34 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3h5l h ALA 319 CO 0.01 0.61 0.25 -0.92 0.00 0.00 0.00 179.25 179.20 3h5l h TYR 320 N 0.99 0.84 -0.02 0.00 3.20 -0.66 -2.33 116.97 118.99 3h5l h TYR 320 Ca 0.20 -0.05 -0.14 0.00 3.14 0.00 0.00 58.73 61.88 3h5l h TYR 320 Cb 0.41 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3h5l h TYR 320 CO 0.03 0.66 -0.62 0.87 -1.64 0.00 0.00 178.16 177.46 3h5l h LYS 321 N 0.77 0.08 -0.70 1.82 1.79 -1.01 -0.13 116.57 119.20 3h5l h LYS 321 Ca 0.19 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.55 3h5l h LYS 321 Cb 0.15 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 3h5l h LYS 321 CO -0.02 0.68 0.23 0.93 -1.08 0.00 0.00 179.45 180.19 3h5l h GLU 322 N 0.06 1.07 -0.05 3.15 5.08 -1.07 0.23 114.58 123.05 3h5l h GLU 322 Ca -0.01 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 3h5l h GLU 322 Cb 1.11 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3h5l h GLU 322 CO 0.09 0.90 -0.25 0.00 -1.00 0.00 0.00 179.01 178.74 3h5l h ARG 323 N 1.03 0.26 -0.00 2.33 3.08 -1.03 -3.40 114.38 116.64 3h5l h ARG 323 Ca 0.23 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3h5l h ARG 323 Cb 0.27 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3h5l h ARG 323 CO -0.01 0.86 -0.06 0.66 -1.07 0.00 0.00 179.97 180.36 3h5l n TYR 324 N -4.50 0.00 0.00 3.04 4.02 -0.09 -5.11 117.16 114.51 3h5l n TYR 324 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 3h5l n TYR 324 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 3h5l n TYR 324 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3h5l n GLY 325 N 0.50 2.29 0.27 2.72 0.00 0.82 -4.55 105.19 107.25 3h5l n GLY 325 Ca 0.03 -1.85 0.15 0.00 0.00 0.00 0.00 46.02 44.35 3h5l n GLY 325 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h5l h ASP 326 N 0.00 0.00 0.30 1.61 3.32 -1.95 -2.09 116.42 117.61 3h5l h ASP 326 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h5l h ASP 326 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3h5l h ASP 326 CO 0.00 0.08 -0.24 0.18 -1.72 0.00 0.00 179.24 177.54 3h5l n LEU 327 N -3.27 0.84 -4.76 1.55 4.77 -1.26 -4.93 117.00 109.94 3h5l n LEU 327 Ca -0.01 -0.17 -0.32 0.00 -0.03 0.00 0.00 56.01 55.49 3h5l n LEU 327 Cb 0.29 -0.15 0.08 0.00 -2.33 0.00 0.00 43.42 41.31 3h5l n LEU 327 CO 0.28 0.16 0.72 -0.94 -1.33 0.00 0.00 177.39 176.28 3h5l s SER 328 N -2.54 4.54 -0.42 -1.43 1.04 -0.79 -4.99 113.70 109.11 3h5l s SER 328 Ca 0.24 1.96 -0.12 0.00 0.48 0.00 0.00 55.95 58.51 3h5l s SER 328 Cb 0.19 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.83 3h5l s SER 328 CO 0.52 -2.02 0.28 -0.55 0.98 0.00 0.00 173.24 172.46 3h5l s SER 329 N -2.95 5.85 0.45 7.02 0.15 -1.26 -4.90 113.70 118.05 3h5l s SER 329 Ca 0.65 -1.25 0.21 0.00 0.70 0.00 0.00 55.95 56.26 3h5l s SER 329 Cb -0.20 -2.07 1.04 0.00 -1.71 0.00 0.00 66.02 63.09 3h5l s SER 329 CO 0.50 -0.51 1.91 0.71 1.20 0.00 0.00 173.24 177.05 3h5l h THR 330 N 5.89 0.81 -0.52 6.45 1.35 -1.96 -1.87 112.91 123.06 3h5l h THR 330 Ca -0.25 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 3h5l h THR 330 Cb 1.10 1.59 -0.03 0.00 -1.73 0.00 0.00 68.15 69.09 3h5l h THR 330 CO 0.76 0.24 0.34 0.00 -0.25 0.00 0.00 175.52 176.61 3h5l h ALA 331 N 1.76 1.62 0.10 6.62 0.00 -1.97 -0.70 119.26 126.68 3h5l h ALA 331 Ca -0.00 -0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.50 3h5l h ALA 331 Cb 0.57 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3h5l h ALA 331 CO 0.03 0.35 -2.09 0.43 0.00 0.00 0.00 179.25 177.97 3h5l n SER 332 N -4.45 2.05 0.21 0.00 7.64 -1.17 -4.44 113.62 113.45 3h5l n SER 332 Ca 0.05 0.14 0.05 0.00 1.01 0.00 0.00 58.87 60.12 3h5l n SER 332 Cb 0.05 -0.74 0.45 0.00 -1.01 0.00 0.00 64.21 62.97 3h5l n SER 332 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3h5l h GLY 333 N 1.37 0.00 2.00 0.23 0.00 -1.16 -2.47 103.07 103.04 3h5l h GLY 333 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3h5l h GLY 333 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.59 3h5l h GLN 335 N 0.00 -0.48 0.00 0.00 4.20 -1.68 -2.14 115.11 115.01 3h5l h GLN 335 Ca 0.00 0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 3h5l h GLN 335 Cb 0.20 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3h5l h GLN 335 CO 0.00 -0.32 -0.44 1.79 -0.67 0.00 0.00 178.83 179.19 3h5l h THR 336 N -1.07 1.08 0.00 -0.54 1.35 -1.73 -1.71 112.91 110.29 3h5l h THR 336 Ca -0.05 -1.65 0.02 0.00 -0.55 0.00 0.00 66.41 64.17 3h5l h THR 336 Cb 0.38 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.73 3h5l h THR 336 CO 0.08 0.43 -0.12 0.22 -0.25 0.00 0.00 175.52 175.89 3h5l h TYR 337 N 0.00 -0.29 -0.39 4.73 3.20 -1.62 -1.11 116.97 121.49 3h5l h TYR 337 Ca -0.00 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 3h5l h TYR 337 Cb 0.92 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 3h5l h TYR 337 CO 0.00 -0.18 -0.03 0.77 -1.64 0.00 0.00 178.16 177.08 3h5l h SER 338 N -0.20 0.71 -0.43 -2.11 0.02 -1.09 -2.30 113.55 108.15 3h5l h SER 338 Ca 0.04 -0.33 0.03 0.00 -0.84 0.00 0.00 61.79 60.69 3h5l h SER 338 Cb 0.25 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3h5l h SER 338 CO -0.11 0.87 0.23 0.00 -1.14 0.00 0.00 176.83 176.68 3h5l h ALA 339 N 0.87 0.55 -0.36 3.77 0.00 -1.22 -1.06 119.26 121.80 3h5l h ALA 339 Ca 0.11 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3h5l h ALA 339 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3h5l h ALA 339 CO 0.03 -0.11 -0.26 1.25 0.00 0.00 0.00 179.25 180.16 3h5l h LEU 340 N 0.46 0.75 -0.30 0.00 5.85 -1.10 -0.55 115.31 120.42 3h5l h LEU 340 Ca 0.18 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.65 3h5l h LEU 340 Cb 0.07 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3h5l h LEU 340 CO -0.11 0.98 0.13 1.88 -0.34 0.00 0.00 178.44 180.97 3h5l h TYR 341 N 0.64 0.23 -0.48 1.25 -1.99 -1.12 0.11 116.97 115.61 3h5l h TYR 341 Ca 0.08 0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.85 3h5l h TYR 341 Cb 0.76 -0.06 -0.03 0.00 2.00 0.00 0.00 36.73 39.40 3h5l h TYR 341 CO 0.04 0.12 0.28 0.00 -0.00 0.00 0.00 178.16 178.60 3h5l h ALA 342 N 1.17 0.61 -0.34 3.88 0.00 -0.93 -2.22 119.26 121.44 3h5l h ALA 342 Ca 0.13 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3h5l h ALA 342 Cb 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3h5l h ALA 342 CO -0.11 -0.03 0.17 -0.92 0.00 0.00 0.00 179.25 178.36 3h5l h TYR 343 N 0.56 0.31 -0.90 0.00 3.20 -0.81 -1.46 116.97 117.87 3h5l h TYR 343 Ca 0.19 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.17 3h5l h TYR 343 Cb 0.02 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.14 3h5l h TYR 343 CO -0.07 0.17 0.58 0.66 -1.64 0.00 0.00 178.16 177.87 3h5l h SER 344 N 0.35 0.84 0.11 -2.11 4.64 -0.54 0.98 113.55 117.83 3h5l h SER 344 Ca 0.14 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 3h5l h SER 344 Cb 0.05 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3h5l h SER 344 CO -0.09 0.50 -0.06 0.40 -0.87 0.00 0.00 176.83 176.71 3h5l h ILE 345 N 0.93 1.08 -0.36 0.95 2.04 -0.97 -2.02 117.51 119.17 3h5l h ILE 345 Ca 0.41 -0.98 0.03 0.00 1.00 0.00 0.00 64.86 65.32 3h5l h ILE 345 Cb 0.36 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 3h5l h ILE 345 CO -0.18 0.23 0.16 0.00 0.00 0.00 0.00 178.15 178.36 3h5l h ALA 346 N 0.16 0.43 -0.49 1.87 0.00 -1.04 -1.08 119.26 119.11 3h5l h ALA 346 Ca -0.02 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3h5l h ALA 346 Cb 0.49 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3h5l h ALA 346 CO 0.03 -0.22 0.16 0.00 0.00 0.00 0.00 179.25 179.22 3h5l h ALA 347 N 1.20 0.64 -0.18 0.00 0.00 -0.87 -2.09 119.26 117.96 3h5l h ALA 347 Ca 0.15 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3h5l h ALA 347 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3h5l h ALA 347 CO -0.12 0.29 0.09 0.00 0.00 0.00 0.00 179.25 179.50 3h5l h ALA 348 N 1.01 0.21 -0.69 0.00 0.00 -1.10 0.13 119.26 118.82 3h5l h ALA 348 Ca 0.16 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.13 3h5l h ALA 348 Cb 0.26 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3h5l h ALA 348 CO -0.01 -0.34 0.46 -0.07 0.00 0.00 0.00 179.25 179.29 3h5l h LEU 349 N 0.19 0.64 0.00 0.00 3.38 -1.00 -1.04 115.31 117.48 3h5l h LEU 349 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3h5l h LEU 349 Cb 0.02 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3h5l h LEU 349 CO -0.05 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.90 3h5l n ALA 350 N -2.45 2.20 -0.30 1.53 0.00 -0.80 -4.90 120.51 115.79 3h5l n ALA 350 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3h5l n ALA 350 Cb 0.21 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3h5l n ALA 350 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h5l n GLY 351 N 1.07 0.72 0.00 0.00 0.00 -0.39 -4.88 105.19 101.72 3h5l n GLY 351 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3h5l n GLY 351 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5l n GLY 352 N -2.11 2.99 3.76 -0.02 0.00 0.43 -4.99 105.19 105.25 3h5l n GLY 352 Ca 0.00 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 3h5l n GLY 352 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h5l s PRO 353 N -2.37 2.78 0.22 1.61 0.02 -1.26 -4.85 135.00 131.15 3h5l s PRO 353 Ca 0.00 1.62 -0.11 0.00 0.02 0.00 0.00 61.00 62.53 3h5l s PRO 353 Cb 0.00 -1.93 -0.07 0.00 0.02 0.00 0.00 34.50 32.52 3h5l s PRO 353 CO 0.00 -1.31 0.57 0.20 -0.33 0.00 0.00 177.00 176.14 3h5l s GLY 354 N -2.07 2.32 0.95 0.52 0.00 -1.26 -4.95 107.32 102.83 3h5l s GLY 354 Ca 0.72 -0.21 -0.10 0.00 0.00 0.00 0.00 44.72 45.13 3h5l s GLY 354 CO 0.38 -0.03 1.09 0.00 0.00 0.00 0.00 173.10 174.53 3h5l n ALA 355 N 0.03 -1.14 -1.56 3.20 0.00 -1.26 -4.62 120.51 115.15 3h5l n ALA 355 Ca -0.00 -0.62 -0.44 0.00 0.00 0.00 0.00 53.44 52.37 3h5l n ALA 355 Cb 0.52 -2.15 -0.01 0.00 0.00 0.00 0.00 19.45 17.81 3h5l n ALA 355 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3h5l n PRO 356 N -4.17 1.12 -0.89 0.00 -0.02 -1.26 -1.24 135.00 128.55 3h5l n PRO 356 Ca 0.11 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3h5l n PRO 356 Cb 0.52 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 3h5l n PRO 356 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3h5l n TYR 357 N -0.09 0.00 -2.89 6.00 4.01 0.13 -4.93 117.16 119.39 3h5l n TYR 357 Ca 0.10 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.41 3h5l n TYR 357 Cb 0.34 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.95 3h5l n TYR 357 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h5l n ASP 358 N -0.05 5.60 -0.16 7.72 -0.08 -0.37 -4.80 116.55 124.41 3h5l n ASP 358 Ca 0.00 -3.15 -0.01 0.00 -1.51 0.00 0.00 54.79 50.12 3h5l n ASP 358 Cb 0.02 -1.42 0.23 0.00 2.34 0.00 0.00 41.12 42.30 3h5l n ASP 358 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3h5l h ASP 359 N 6.17 0.80 -0.21 1.67 3.45 -1.85 -1.77 116.42 124.67 3h5l h ASP 359 Ca 0.27 -0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.65 3h5l h ASP 359 Cb 0.73 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.29 3h5l h ASP 359 CO 1.32 0.66 0.10 0.58 -1.57 0.00 0.00 179.24 180.34 3h5l h VAL 360 N 0.89 1.14 -0.30 -1.35 2.07 -1.91 0.21 116.25 117.00 3h5l h VAL 360 Ca 0.22 -0.39 -0.18 0.00 0.82 0.00 0.00 66.70 67.17 3h5l h VAL 360 Cb 0.06 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3h5l h VAL 360 CO -0.03 0.13 -0.51 -0.61 0.02 0.00 0.00 177.57 176.57 3h5l h GLN 361 N 0.21 0.89 0.00 1.57 5.75 -1.92 -2.57 115.11 119.04 3h5l h GLN 361 Ca 0.07 -0.55 -0.06 0.00 -0.15 0.00 0.00 58.65 57.96 3h5l h GLN 361 Cb 0.12 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 3h5l h GLN 361 CO -0.01 1.18 -0.31 -0.91 -2.65 0.00 0.00 178.83 176.14 3h5l h ASN 362 N 0.68 0.00 -0.53 -0.69 2.35 -1.23 -1.80 115.58 114.36 3h5l h ASN 362 Ca 0.02 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 3h5l h ASN 362 Cb 1.12 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.47 3h5l h ASN 362 CO 0.12 0.31 0.10 0.11 -1.65 0.00 0.00 177.43 176.41 3h5l h LYS 363 N 0.00 0.92 -0.50 0.81 1.57 -0.47 0.29 116.57 119.19 3h5l h LYS 363 Ca -0.00 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3h5l h LYS 363 Cb 0.66 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3h5l h LYS 363 CO 0.04 0.85 0.31 0.00 -0.57 0.00 0.00 179.45 180.08 3h5l h ALA 364 N 1.23 0.64 -0.45 3.86 0.00 -0.97 0.32 119.26 123.89 3h5l h ALA 364 Ca 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3h5l h ALA 364 Cb 0.38 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3h5l h ALA 364 CO 0.01 0.12 0.28 0.28 0.00 0.00 0.00 179.25 179.94 3h5l h VAL 365 N 0.67 1.13 -0.56 0.00 2.07 -1.05 -2.54 116.25 115.98 3h5l h VAL 365 Ca 0.18 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 3h5l h VAL 365 Cb -0.02 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3h5l h VAL 365 CO -0.03 0.13 0.22 0.00 0.02 0.00 0.00 177.57 177.91 3h5l h ALA 366 N 1.14 1.34 -0.83 1.67 0.00 -0.63 -1.01 119.26 120.94 3h5l h ALA 366 Ca 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3h5l h ALA 366 Cb -0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3h5l h ALA 366 CO -0.03 0.50 0.49 -0.44 0.00 0.00 0.00 179.25 179.76 3h5l h ASP 367 N 0.80 1.00 -0.50 0.00 3.32 -0.73 0.19 116.42 120.50 3h5l h ASP 367 Ca 0.19 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 3h5l h ASP 367 Cb 0.16 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3h5l h ASP 367 CO -0.02 0.78 -0.16 0.03 -1.72 0.00 0.00 179.24 178.15 3h5l h ARG 368 N 1.14 1.01 -0.59 3.56 2.47 -0.97 -2.64 114.38 118.35 3h5l h ARG 368 Ca 0.30 -0.40 -0.10 0.00 -1.26 0.00 0.00 59.98 58.52 3h5l h ARG 368 Cb -0.03 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.22 3h5l h ARG 368 CO -0.05 1.08 -0.02 1.25 0.56 0.00 0.00 179.97 182.78 3h5l h LEU 369 N 0.88 1.05 -1.66 3.04 5.85 -0.69 -1.84 115.31 121.94 3h5l h LEU 369 Ca 0.13 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 3h5l h LEU 369 Cb 0.73 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3h5l h LEU 369 CO 0.06 1.11 -0.20 -0.09 -0.34 0.00 0.00 178.44 178.98 3h5l h ARG 370 N 0.96 0.00 -0.15 1.25 2.43 -0.47 -2.18 114.38 116.22 3h5l h ARG 370 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3h5l h ARG 370 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3h5l h ARG 370 CO 0.03 0.20 0.00 -1.13 -1.51 0.00 0.00 179.97 177.56 3h5l n SER 371 N -3.96 2.97 -4.77 -3.80 3.41 -1.01 -4.45 113.62 102.02 3h5l n SER 371 Ca -0.02 -1.91 -0.40 0.00 -0.26 0.00 0.00 58.87 56.28 3h5l n SER 371 Cb 0.28 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 3h5l n SER 371 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3h5l s LEU 372 N -1.62 4.38 -0.32 1.04 2.96 -0.71 -5.01 118.68 119.40 3h5l s LEU 372 Ca 0.29 2.54 0.02 0.00 -0.22 0.00 0.00 54.13 56.76 3h5l s LEU 372 Cb 0.19 -3.75 0.10 0.00 0.50 0.00 0.00 46.19 43.23 3h5l s LEU 372 CO 0.27 -0.53 0.06 -0.63 -1.32 0.00 0.00 176.35 174.20 3h5l s ILE 373 N -1.21 1.75 -0.26 6.68 1.01 -1.26 -4.26 121.20 123.64 3h5l s ILE 373 Ca 0.51 -1.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.19 3h5l s ILE 373 Cb -0.36 -2.29 0.04 0.00 0.01 0.00 0.00 42.46 39.86 3h5l s ILE 373 CO 0.48 -0.60 -0.05 0.12 0.00 0.00 0.00 174.94 174.88 3h5l s PHE 374 N 1.18 3.14 -0.51 3.97 5.36 -0.19 -4.94 117.98 125.99 3h5l s PHE 374 Ca 0.10 -1.75 -0.18 0.00 -0.96 0.00 0.00 56.93 54.14 3h5l s PHE 374 Cb -0.18 -2.05 0.07 0.00 -0.34 0.00 0.00 43.02 40.51 3h5l s PHE 374 CO -0.14 -0.77 0.59 0.50 -1.46 0.00 0.00 175.22 173.94 3h5l s ARG 375 N 1.28 3.09 0.00 10.12 6.06 -1.26 -0.21 118.95 138.02 3h5l s ARG 375 Ca -0.02 -1.01 0.00 0.00 -2.50 0.00 0.00 55.73 52.19 3h5l s ARG 375 Cb -0.18 -4.12 0.00 0.00 0.06 0.00 0.00 34.95 30.71 3h5l s ARG 375 CO -0.04 -1.22 0.00 0.41 -2.50 0.00 0.00 175.30 171.95 3h5l n GLY 376 N 5.19 5.82 0.30 8.12 0.00 -1.01 -5.00 105.19 118.61 3h5l n GLY 376 Ca -0.08 -2.11 0.18 0.00 0.00 0.00 0.00 46.02 44.01 3h5l n GLY 376 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h5l h PRO 377 N 0.00 0.00 -0.04 1.61 0.11 -1.96 -1.47 132.00 130.26 3h5l h PRO 377 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3h5l h PRO 377 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3h5l h PRO 377 CO 0.00 0.03 0.00 1.33 -0.21 0.00 0.00 178.00 179.15 3h5l n VAL 378 N -3.46 0.03 0.00 3.15 0.24 -1.26 -1.85 118.33 115.19 3h5l n VAL 378 Ca -0.02 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 3h5l n VAL 378 Cb 0.13 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 3h5l n VAL 378 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h5l n GLY 379 N 1.16 -1.28 3.71 7.63 0.00 -0.55 -4.30 105.19 111.56 3h5l n GLY 379 Ca 0.19 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 3h5l n GLY 379 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h5l s THR 380 N 0.00 4.91 -0.29 2.61 2.01 -1.24 -2.41 115.64 121.23 3h5l s THR 380 Ca 0.00 1.85 -0.09 0.00 0.31 0.00 0.00 61.69 63.76 3h5l s THR 380 Cb 0.00 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.27 3h5l s THR 380 CO 0.00 0.16 0.12 -0.32 -0.69 0.00 0.00 174.62 173.89 3h5l s MET 381 N 1.16 3.44 -0.05 4.92 0.00 0.71 -2.14 119.30 127.34 3h5l s MET 381 Ca 0.46 -0.64 -0.08 0.00 0.00 0.00 0.00 55.69 55.44 3h5l s MET 381 Cb -0.19 -3.47 0.02 0.00 0.00 0.00 0.00 34.83 31.18 3h5l s MET 381 CO 0.23 -0.33 0.20 0.50 0.00 0.00 0.00 175.02 175.61 3h5l s ARG 382 N 1.61 0.35 -0.06 4.11 3.52 -1.26 -1.03 118.95 126.19 3h5l s ARG 382 Ca 0.05 0.06 -0.02 0.00 -0.13 0.00 0.00 55.73 55.70 3h5l s ARG 382 Cb -0.16 0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.35 3h5l s ARG 382 CO 0.05 -0.07 0.02 -0.06 -0.81 0.00 0.00 175.30 174.44 3h5l s PHE 383 N -0.43 3.20 0.14 5.12 0.08 -1.26 -0.63 117.98 124.21 3h5l s PHE 383 Ca -0.05 0.20 -0.31 0.00 0.12 0.00 0.00 56.93 56.89 3h5l s PHE 383 Cb -0.03 -1.77 -0.09 0.00 -0.57 0.00 0.00 43.02 40.55 3h5l s PHE 383 CO 0.01 0.50 1.47 -1.01 -0.10 0.00 0.00 175.22 176.09 3h5l s HIS 384 N -0.97 3.15 0.22 0.36 3.76 -0.16 -4.87 115.29 116.78 3h5l s HIS 384 Ca 0.16 0.81 -0.07 0.00 -0.15 0.00 0.00 55.06 55.80 3h5l s HIS 384 Cb -0.11 -3.80 0.19 0.00 1.11 0.00 0.00 32.58 29.96 3h5l s HIS 384 CO 0.05 -2.87 1.77 0.00 -0.85 0.00 0.00 174.74 172.85 3h5l h ALA 385 N 6.73 1.05 0.02 -1.40 0.00 -1.90 0.12 119.26 123.89 3h5l h ALA 385 Ca -0.42 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.07 3h5l h ALA 385 Cb 1.21 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3h5l h ALA 385 CO 0.88 0.65 -0.98 0.38 0.00 0.00 0.00 179.25 180.19 3h5l h ASP 386 N 1.10 0.13 0.00 0.00 2.03 -1.97 -3.33 116.42 114.38 3h5l h ASP 386 Ca 0.25 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 3h5l h ASP 386 Cb 0.26 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 3h5l h ASP 386 CO -0.01 1.03 -1.17 0.35 -1.03 0.00 0.00 179.24 178.40 3h5l n THR 387 N -3.50 0.00 -4.01 1.15 -2.24 -1.22 -4.02 114.28 100.45 3h5l n THR 387 Ca -0.02 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 61.18 3h5l n THR 387 Cb 0.89 0.56 0.01 0.00 -2.10 0.00 0.00 70.33 69.69 3h5l n THR 387 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h5l n GLN 388 N -1.68 -4.61 -4.41 -0.78 6.02 0.42 -4.56 117.38 107.78 3h5l n GLN 388 Ca -0.00 0.51 -0.27 0.00 -0.01 0.00 0.00 57.00 57.23 3h5l n GLN 388 Cb 0.29 -5.30 -0.12 0.00 1.02 0.00 0.00 30.24 26.14 3h5l n GLN 388 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3h5l s SER 389 N -3.41 3.48 0.31 1.08 0.01 -1.25 -0.55 113.70 113.36 3h5l s SER 389 Ca 0.63 -0.84 -0.29 0.00 1.31 0.00 0.00 55.95 56.76 3h5l s SER 389 Cb -0.32 -0.28 -0.10 0.00 0.21 0.00 0.00 66.02 65.52 3h5l s SER 389 CO 0.87 0.12 1.38 0.00 0.41 0.00 0.00 173.24 176.02 3h5l s ALA 390 N -1.62 3.56 0.35 1.44 0.00 -0.77 -0.99 121.76 123.72 3h5l s ALA 390 Ca 0.20 1.33 -0.28 0.00 0.00 0.00 0.00 51.96 53.21 3h5l s ALA 390 Cb -0.08 -3.53 -0.11 0.00 0.00 0.00 0.00 23.12 19.41 3h5l s ALA 390 CO 0.10 -0.74 1.42 -1.58 0.00 0.00 0.00 175.76 174.96 3h5l s TRP 391 N -0.71 2.78 -0.15 0.00 0.52 0.20 -4.05 118.94 117.53 3h5l s TRP 391 Ca 0.53 1.23 -0.02 0.00 0.02 0.00 0.00 56.10 57.86 3h5l s TRP 391 Cb -0.41 -3.89 -0.02 0.00 -1.15 0.00 0.00 33.47 27.99 3h5l s TRP 391 CO 0.51 -2.59 -0.07 0.45 0.02 0.00 0.00 176.95 175.27 3h5l s SER 392 N -0.22 4.49 -0.12 2.95 0.15 -1.26 -0.70 113.70 118.99 3h5l s SER 392 Ca 0.52 -0.22 -0.03 0.00 0.70 0.00 0.00 55.95 56.92 3h5l s SER 392 Cb -0.44 -1.72 -0.03 0.00 -1.71 0.00 0.00 66.02 62.12 3h5l s SER 392 CO 0.58 0.15 -0.02 -0.47 1.20 0.00 0.00 173.24 174.68 3h5l s TYR 393 N 0.46 3.09 -2.06 3.44 5.04 0.05 -0.77 117.35 126.60 3h5l s TYR 393 Ca -0.06 -0.04 0.21 0.00 -2.44 0.00 0.00 57.07 54.74 3h5l s TYR 393 Cb -0.15 -1.88 0.57 0.00 0.35 0.00 0.00 41.96 40.85 3h5l s TYR 393 CO 0.03 0.22 1.48 -0.35 -1.34 0.00 0.00 175.55 175.59 3h5l n PRO 394 N 2.86 2.50 -0.08 4.97 -0.04 -1.26 -0.85 135.00 143.10 3h5l n PRO 394 Ca -0.18 -2.32 -0.11 0.00 -0.04 0.00 0.00 63.50 60.85 3h5l n PRO 394 Cb 0.53 -1.51 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 3h5l n PRO 394 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3h5l h THR 395 N 3.87 1.27 0.00 0.52 2.02 -1.94 -3.32 112.91 115.33 3h5l h THR 395 Ca 0.00 -0.95 -0.18 0.00 0.77 0.00 0.00 66.41 66.04 3h5l h THR 395 Cb 0.88 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 3h5l h THR 395 CO 0.00 0.30 -2.17 -0.62 0.37 0.00 0.00 175.52 173.40 3h5l n GLU 396 N -4.61 0.70 -3.94 6.66 1.02 0.05 -4.96 120.64 115.56 3h5l n GLU 396 Ca -0.04 -0.10 -0.12 0.00 -0.02 0.00 0.00 57.16 56.88 3h5l n GLU 396 Cb 0.26 -1.51 -0.13 0.00 -0.02 0.00 0.00 31.44 30.04 3h5l n GLU 396 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3h5l s THR 397 N -2.98 0.11 -2.16 2.62 -1.32 -1.13 -4.99 115.64 105.78 3h5l s THR 397 Ca -0.09 -0.26 0.19 0.00 -1.21 0.00 0.00 61.69 60.31 3h5l s THR 397 Cb 0.10 -0.14 0.45 0.00 -1.51 0.00 0.00 72.50 71.40 3h5l s THR 397 CO 0.85 -0.10 1.56 -0.46 -2.21 0.00 0.00 174.62 174.27 3h5l n ASN 398 N 2.69 1.07 -4.10 8.08 6.94 -1.26 -4.14 115.26 124.54 3h5l n ASN 398 Ca -0.15 -1.64 -0.33 0.00 -0.02 0.00 0.00 54.58 52.44 3h5l n ASN 398 Cb 0.58 -0.07 -0.16 0.00 -2.36 0.00 0.00 39.78 37.77 3h5l n ASN 398 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3h5l s ASP 399 N -1.52 3.59 0.00 0.53 -1.08 -1.26 -5.00 116.67 111.94 3h5l s ASP 399 Ca 0.29 -0.92 0.19 0.00 -0.52 0.00 0.00 52.55 51.60 3h5l s ASP 399 Cb 0.15 -1.50 0.90 0.00 -1.46 0.00 0.00 42.92 41.01 3h5l s ASP 399 CO 0.23 -0.07 1.62 -0.81 0.52 0.00 0.00 175.17 176.66 3h5l n PRO 400 N 4.56 0.12 0.00 4.34 -0.04 -1.26 -1.00 135.00 141.72 3h5l n PRO 400 Ca -0.18 0.14 0.14 0.00 -0.04 0.00 0.00 63.50 63.55 3h5l n PRO 400 Cb 0.47 -1.50 0.79 0.00 -0.04 0.00 0.00 33.50 33.22 3h5l n PRO 400 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3h5l n SER 401 N -1.41 0.00 0.00 3.54 3.41 -1.26 -3.87 113.62 114.04 3h5l n SER 401 Ca 0.07 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 3h5l n SER 401 Cb 0.20 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 3h5l n SER 401 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h5l n LEU 402 N -1.10 1.03 -3.79 1.04 4.77 -0.17 -4.97 117.00 113.80 3h5l n LEU 402 Ca 0.18 -1.03 -0.05 0.00 -0.03 0.00 0.00 56.01 55.09 3h5l n LEU 402 Cb 0.14 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 3h5l n LEU 402 CO 0.18 0.26 0.61 -0.83 -1.33 0.00 0.00 177.39 176.28 3h5l s GLY 403 N -0.32 -0.19 -0.20 -0.72 0.00 -1.17 -4.74 107.32 99.99 3h5l s GLY 403 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 44.72 44.52 3h5l s GLY 403 CO 0.00 -0.02 0.48 -0.29 0.00 0.00 0.00 173.10 173.26 3h5l s MET 404 N -3.54 4.18 0.18 2.90 1.75 0.12 -3.62 119.30 121.27 3h5l s MET 404 Ca 0.11 0.34 -0.32 0.00 -1.25 0.00 0.00 55.69 54.57 3h5l s MET 404 Cb -0.03 -3.55 -0.11 0.00 2.84 0.00 0.00 34.83 33.98 3h5l s MET 404 CO 0.04 -0.11 1.63 -2.14 -0.65 0.00 0.00 175.02 173.78 3h5l s PRO 405 N 1.52 4.18 -0.62 4.11 0.02 -1.26 -0.77 135.00 142.19 3h5l s PRO 405 Ca 0.22 2.45 -0.22 0.00 0.02 0.00 0.00 61.00 63.48 3h5l s PRO 405 Cb -0.15 -3.13 0.07 0.00 0.02 0.00 0.00 34.50 31.31 3h5l s PRO 405 CO 0.09 -0.66 0.87 -1.58 -0.33 0.00 0.00 177.00 175.39 3h5l s HIS 406 N 1.18 2.80 -0.17 6.54 2.46 -0.03 -4.46 115.29 123.61 3h5l s HIS 406 Ca 0.72 -0.58 -0.20 0.00 0.47 0.00 0.00 55.06 55.47 3h5l s HIS 406 Cb -0.46 -4.13 -0.03 0.00 -0.13 0.00 0.00 32.58 27.83 3h5l s HIS 406 CO 0.31 -1.47 0.59 0.42 -2.47 0.00 0.00 174.74 172.12 3h5l s ILE 407 N 3.60 5.07 -0.05 0.89 1.01 -0.20 -4.03 121.20 127.49 3h5l s ILE 407 Ca 0.20 1.13 -0.01 0.00 0.00 0.00 0.00 60.65 61.97 3h5l s ILE 407 Cb -0.18 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 3h5l s ILE 407 CO 0.11 0.18 0.02 -0.36 0.00 0.00 0.00 174.94 174.88 3h5l s PHE 408 N 1.49 3.16 0.20 3.97 0.08 -0.14 -1.02 117.98 125.73 3h5l s PHE 408 Ca 0.28 0.17 0.07 0.00 0.12 0.00 0.00 56.93 57.57 3h5l s PHE 408 Cb -0.16 -1.75 -0.05 0.00 -0.57 0.00 0.00 43.02 40.49 3h5l s PHE 408 CO 0.11 0.49 -0.12 -1.12 -0.10 0.00 0.00 175.22 174.47 3h5l s SER 409 N -1.20 2.44 -0.03 1.36 0.01 0.28 -0.96 113.70 115.59 3h5l s SER 409 Ca 0.16 -1.04 0.01 0.00 1.31 0.00 0.00 55.95 56.39 3h5l s SER 409 Cb -0.11 -0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.02 3h5l s SER 409 CO 0.06 -0.22 -0.03 -1.58 0.41 0.00 0.00 173.24 171.87 3h5l s GLN 410 N -3.68 0.54 0.09 12.44 0.74 -0.07 -2.01 119.66 127.72 3h5l s GLN 410 Ca 0.22 -0.08 -0.30 0.00 0.05 0.00 0.00 55.36 55.26 3h5l s GLN 410 Cb 0.00 -0.60 -0.06 0.00 1.10 0.00 0.00 33.01 33.46 3h5l s GLN 410 CO 0.06 -0.04 1.05 0.42 -0.55 0.00 0.00 175.29 176.24 3h5l s ILE 411 N 0.62 4.33 -0.01 -2.34 1.01 -0.31 -0.91 121.20 123.60 3h5l s ILE 411 Ca -0.07 1.82 0.01 0.00 0.00 0.00 0.00 60.65 62.41 3h5l s ILE 411 Cb -0.10 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 3h5l s ILE 411 CO -0.00 0.23 0.03 2.22 0.00 0.00 0.00 174.94 177.41 3h5l n PHE 412 N 3.19 0.00 -3.70 3.97 1.16 -1.26 -0.79 117.46 120.03 3h5l n PHE 412 Ca 0.05 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.52 3h5l n PHE 412 Cb 0.48 -0.02 -0.11 0.00 -1.61 0.00 0.00 39.48 38.22 3h5l n PHE 412 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3h5l s ASP 413 N -2.02 -0.52 0.61 5.98 3.68 -1.26 -4.94 116.67 118.19 3h5l s ASP 413 Ca -0.00 0.91 0.31 0.00 2.13 0.00 0.00 52.55 55.89 3h5l s ASP 413 Cb 0.01 0.80 1.77 0.00 -1.45 0.00 0.00 42.92 44.05 3h5l s ASP 413 CO 0.05 -0.19 2.14 0.07 0.13 0.00 0.00 175.17 177.36 3h5l h LYS 414 N 6.93 0.00 -0.02 4.34 2.10 -1.92 -0.51 116.57 127.50 3h5l h LYS 414 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 3h5l h LYS 414 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3h5l h LYS 414 CO 0.29 0.00 -0.05 0.00 -2.00 0.00 0.00 179.45 177.68 3h5l n ALA 415 N -2.26 2.66 -2.50 0.07 0.00 -1.26 -4.63 120.51 112.59 3h5l n ALA 415 Ca 0.00 -0.50 -0.20 0.00 0.00 0.00 0.00 53.44 52.73 3h5l n ALA 415 Cb 0.27 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.54 3h5l n ALA 415 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3h5l s GLU 416 N -2.08 1.12 0.69 0.00 0.41 -0.20 -5.13 118.70 113.51 3h5l s GLU 416 Ca 0.33 -1.27 -0.17 0.00 -0.41 0.00 0.00 54.97 53.46 3h5l s GLU 416 Cb 0.20 -1.14 0.00 0.00 -1.78 0.00 0.00 34.13 31.42 3h5l s GLU 416 CO 0.36 0.23 1.11 -3.47 -0.49 0.00 0.00 175.26 173.01 3h5l n ASP 417 N 0.59 1.14 -4.72 -0.19 2.03 -1.26 -4.65 116.55 109.49 3h5l n ASP 417 Ca -0.16 0.73 -0.34 0.00 0.52 0.00 0.00 54.79 55.55 3h5l n ASP 417 Cb 0.56 -1.47 0.10 0.00 -0.72 0.00 0.00 41.12 39.59 3h5l n ASP 417 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3h5l s GLY 418 N -1.55 2.20 0.12 0.27 0.00 -1.26 -4.73 107.32 102.37 3h5l s GLY 418 Ca 0.77 0.78 -0.20 0.00 0.00 0.00 0.00 44.72 46.07 3h5l s GLY 418 CO 0.46 1.18 0.63 0.54 0.00 0.00 0.00 173.10 175.92 3h5l s VAL 419 N -2.16 4.64 -0.10 1.40 0.11 -0.08 -4.73 120.40 119.48 3h5l s VAL 419 Ca 0.72 1.30 -0.30 0.00 -2.93 0.00 0.00 61.98 60.78 3h5l s VAL 419 Cb -0.27 -3.94 -0.03 0.00 -1.53 0.00 0.00 36.38 30.61 3h5l s VAL 419 CO 0.47 0.48 1.38 -0.76 -3.33 0.00 0.00 175.10 173.35 3h5l s LEU 420 N -1.30 4.25 0.00 2.54 1.43 -1.26 -0.89 118.68 123.45 3h5l s LEU 420 Ca 0.33 1.91 0.06 0.00 -1.03 0.00 0.00 54.13 55.40 3h5l s LEU 420 Cb -0.20 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.50 3h5l s LEU 420 CO 0.21 -0.79 0.56 2.30 0.23 0.00 0.00 176.35 178.86 3h5l n ILE 421 N 5.24 0.00 -3.54 -0.59 -5.35 -0.14 -0.57 119.36 114.41 3h5l n ILE 421 Ca 0.14 -0.47 -0.11 0.00 -0.27 0.00 0.00 62.75 62.05 3h5l n ILE 421 Cb 0.44 1.09 -0.04 0.00 -1.74 0.00 0.00 39.64 39.39 3h5l n ILE 421 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h5l s ALA 422 N -0.74 -1.87 0.16 -1.28 0.00 -1.13 -4.58 121.76 112.31 3h5l s ALA 422 Ca 0.05 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3h5l s ALA 422 Cb 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 3h5l s ALA 422 CO 0.11 -0.47 0.32 -1.25 0.00 0.00 0.00 175.76 174.47 3h5l s PRO 423 N -1.93 3.48 0.35 0.00 0.04 -1.26 -0.97 135.00 134.71 3h5l s PRO 423 Ca -0.00 -0.44 -0.28 0.00 0.04 0.00 0.00 61.00 60.33 3h5l s PRO 423 Cb -0.01 -2.92 -0.12 0.00 0.04 0.00 0.00 34.50 31.49 3h5l s PRO 423 CO -0.02 0.48 1.26 0.00 0.04 0.00 0.00 177.00 178.77 3h5l n ALA 424 N -0.42 1.16 -0.51 8.56 0.00 -1.26 -0.60 120.51 127.44 3h5l n ALA 424 Ca -0.05 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.62 3h5l n ALA 424 Cb 0.53 -2.23 0.16 0.00 0.00 0.00 0.00 19.45 17.91 3h5l n ALA 424 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3h5l n PRO 425 N 0.50 2.30 -0.11 0.00 -0.04 -1.26 -4.94 135.00 131.45 3h5l n PRO 425 Ca 0.05 -2.13 0.07 0.00 -0.04 0.00 0.00 63.50 61.45 3h5l n PRO 425 Cb 0.36 -1.88 0.13 0.00 -0.04 0.00 0.00 33.50 32.08 3h5l n PRO 425 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3h5l n TYR 426 N -0.40 0.30 -2.10 0.54 4.01 0.23 -5.01 117.16 114.73 3h5l n TYR 426 Ca 0.37 -0.25 -0.40 0.00 -0.16 0.00 0.00 57.90 57.46 3h5l n TYR 426 Cb 1.23 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 40.24 3h5l n TYR 426 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3h5l s LYS 427 N -1.10 4.18 -0.01 -0.72 1.02 -1.24 -4.80 119.74 117.07 3h5l s LYS 427 Ca 0.23 2.18 0.14 0.00 0.02 0.00 0.00 55.97 58.54 3h5l s LYS 427 Cb 0.14 -2.92 -0.19 0.00 -0.52 0.00 0.00 37.83 34.33 3h5l s LYS 427 CO 0.19 -0.32 0.37 1.63 -0.92 0.00 0.00 175.35 176.31 3h5l n LYS 428 N 0.49 1.00 -3.92 1.68 4.76 0.26 -5.01 118.16 117.42 3h5l n LYS 428 Ca 0.02 -0.09 -0.09 0.00 -2.87 0.00 0.00 58.31 55.28 3h5l n LYS 428 Cb 0.43 -1.27 -0.03 0.00 -1.84 0.00 0.00 35.03 32.32 3h5l n LYS 428 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h5l s ALA 429 N -2.77 -0.61 0.34 7.82 0.00 -0.83 -4.96 121.76 120.76 3h5l s ALA 429 Ca -0.02 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 3h5l s ALA 429 Cb 0.09 0.93 -0.04 0.00 0.00 0.00 0.00 23.12 24.10 3h5l s ALA 429 CO 0.56 -0.94 0.56 0.20 0.00 0.00 0.00 175.76 176.14 3h5l s GLY 430 N -3.01 1.43 0.28 0.00 0.00 -1.26 -4.14 107.32 100.61 3h5l s GLY 430 Ca 0.18 -0.84 -0.30 0.00 0.00 0.00 0.00 44.72 43.75 3h5l s GLY 430 CO 0.10 -0.77 1.42 0.33 0.00 0.00 0.00 173.10 174.18 3h5l n PHE 431 N -1.67 2.36 -5.19 1.90 7.35 -1.26 -4.95 117.46 116.00 3h5l n PHE 431 Ca -0.04 0.42 -0.30 0.00 -0.76 0.00 0.00 57.45 56.77 3h5l n PHE 431 Cb 0.56 -2.48 -0.16 0.00 0.35 0.00 0.00 39.48 37.74 3h5l n PHE 431 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 3h5l s LYS 432 N -0.83 2.40 0.03 -4.13 1.02 -1.26 -4.87 119.74 112.10 3h5l s LYS 432 Ca 0.64 -0.85 -0.37 0.00 0.02 0.00 0.00 55.97 55.40 3h5l s LYS 432 Cb -0.59 -2.05 -0.16 0.00 -0.52 0.00 0.00 37.83 34.51 3h5l s LYS 432 CO 0.53 0.36 1.43 -0.12 -0.92 0.00 0.00 175.35 176.63 3h5l n MET 433 N 2.97 1.23 -1.49 1.68 0.00 -1.26 -4.90 117.12 115.35 3h5l n MET 433 Ca -0.17 0.45 -0.35 0.00 -0.00 0.00 0.00 57.70 57.62 3h5l n MET 433 Cb 0.52 -2.11 0.09 0.00 0.00 0.00 0.00 33.22 31.73 3h5l n MET 433 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 3h5l s PRO 434 N 1.08 2.18 0.58 2.12 0.02 -1.26 -4.88 135.00 134.84 3h5l s PRO 434 Ca 0.87 1.93 0.35 0.00 0.02 0.00 0.00 61.00 64.16 3h5l s PRO 434 Cb -0.95 -1.82 1.80 0.00 0.02 0.00 0.00 34.50 33.55 3h5l s PRO 434 CO 0.49 -1.84 2.18 -1.00 -0.33 0.00 0.00 177.00 176.50 3h5l h PRO 435 N -0.05 0.00 -0.00 5.54 0.13 -1.91 -1.42 132.00 134.29 3h5l h PRO 435 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3h5l h PRO 435 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3h5l h PRO 435 CO 0.50 0.04 -0.11 -2.67 -0.23 0.00 0.00 178.00 175.54 3h5l n TRP 436 N -3.37 0.00 1.56 1.56 2.14 -1.26 -5.20 117.44 112.87 3h5l n TRP 436 Ca -0.02 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.69 3h5l n TRP 436 Cb 0.18 -0.34 0.58 0.00 -0.81 0.00 0.00 31.31 30.92 3h5l n TRP 436 CO 0.00 0.00 0.00 -1.33 2.07 0.00 0.00 177.69 178.43