#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3heg n PRO 6 N 0.00 -0.76 -4.62 -0.14 -0.02 -1.26 -5.04 135.00 123.15 3heg n PRO 6 Ca 0.00 -0.18 -0.33 0.00 -2.02 0.00 0.00 63.50 60.97 3heg n PRO 6 Cb 0.00 -1.98 -0.13 0.00 -0.02 0.00 0.00 33.50 31.37 3heg n PRO 6 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3heg s THR 7 N -2.43 3.37 0.32 3.45 -1.32 -1.26 -5.01 115.64 112.77 3heg s THR 7 Ca 0.60 -0.54 0.06 0.00 -1.21 0.00 0.00 61.69 60.60 3heg s THR 7 Cb -0.20 -2.44 -0.01 0.00 -1.51 0.00 0.00 72.50 68.33 3heg s THR 7 CO 0.65 0.51 0.46 -0.36 -2.21 0.00 0.00 174.62 173.67 3heg s PHE 8 N 0.37 3.19 -0.03 9.09 0.40 -1.26 -1.02 117.98 128.72 3heg s PHE 8 Ca -0.08 -0.16 -0.02 0.00 -0.60 0.00 0.00 56.93 56.07 3heg s PHE 8 Cb -0.15 -1.92 0.01 0.00 0.51 0.00 0.00 43.02 41.47 3heg s PHE 8 CO 0.04 0.07 0.08 1.52 0.70 0.00 0.00 175.22 177.63 3heg s TYR 9 N -2.15 -0.08 0.23 0.36 -0.85 -0.72 -4.86 117.35 109.27 3heg s TYR 9 Ca 0.43 0.22 -0.08 0.00 -0.52 0.00 0.00 57.07 57.12 3heg s TYR 9 Cb -0.09 -0.00 -0.06 0.00 0.38 0.00 0.00 41.96 42.18 3heg s TYR 9 CO 0.31 -0.06 0.52 1.03 -1.52 0.00 0.00 175.55 175.84 3heg s ARG 10 N 0.23 3.73 0.13 -3.49 0.52 -1.26 -2.85 118.95 115.97 3heg s ARG 10 Ca -0.02 0.15 -0.24 0.00 -0.52 0.00 0.00 55.73 55.11 3heg s ARG 10 Cb -0.03 -2.68 0.07 0.00 0.52 0.00 0.00 34.95 32.84 3heg s ARG 10 CO -0.01 0.32 0.64 1.14 0.02 0.00 0.00 175.30 177.41 3heg s GLN 11 N -2.96 1.21 -0.59 3.54 -2.07 -0.55 -4.97 119.66 113.26 3heg s GLN 11 Ca 0.46 -0.43 -0.19 0.00 -1.82 0.00 0.00 55.36 53.37 3heg s GLN 11 Cb -0.11 0.56 0.09 0.00 -1.09 0.00 0.00 33.01 32.46 3heg s GLN 11 CO 0.24 -0.53 0.73 -1.21 -1.32 0.00 0.00 175.29 173.20 3heg s GLU 12 N -3.61 3.06 -0.41 9.60 0.41 -1.26 -0.28 118.70 126.21 3heg s GLU 12 Ca 0.01 -1.21 0.04 0.00 -0.41 0.00 0.00 54.97 53.41 3heg s GLU 12 Cb -0.01 -4.24 0.17 0.00 -1.78 0.00 0.00 34.13 28.27 3heg s GLU 12 CO -0.12 -1.54 0.41 -0.51 -0.49 0.00 0.00 175.26 173.01 3heg s LEU 13 N 2.85 0.42 -0.05 1.80 1.43 0.52 -4.65 118.68 121.00 3heg s LEU 13 Ca 0.13 -2.33 0.01 0.00 -1.03 0.00 0.00 54.13 50.91 3heg s LEU 13 Cb -0.23 0.29 0.02 0.00 0.03 0.00 0.00 46.19 46.30 3heg s LEU 13 CO 0.07 -0.18 -0.05 0.54 0.23 0.00 0.00 176.35 176.96 3heg s ASN 14 N 0.68 1.09 0.00 2.29 2.20 -1.26 -4.41 114.94 115.54 3heg s ASN 14 Ca 0.27 -0.15 0.00 0.00 -0.94 0.00 0.00 52.86 52.04 3heg s ASN 14 Cb -0.05 -0.50 0.00 0.00 -2.00 0.00 0.00 41.25 38.71 3heg s ASN 14 CO -0.10 -0.05 0.00 0.29 -2.94 0.00 0.00 177.10 174.29 3heg n LYS 15 N 4.10 0.00 -3.54 3.55 4.01 -1.26 -4.96 118.16 120.05 3heg n LYS 15 Ca -0.23 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.19 3heg n LYS 15 Cb 0.51 -2.88 -0.06 0.00 -0.51 0.00 0.00 35.03 32.09 3heg n LYS 15 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 3heg s THR 16 N -1.24 5.09 -0.24 -0.18 2.01 -1.26 -5.09 115.64 114.73 3heg s THR 16 Ca 0.00 0.77 -0.16 0.00 0.31 0.00 0.00 61.69 62.61 3heg s THR 16 Cb 0.00 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 3heg s THR 16 CO 0.00 0.57 0.40 -0.51 -0.69 0.00 0.00 174.62 174.39 3heg s ILE 17 N -1.00 5.17 -0.25 1.82 -1.16 -1.26 -0.35 121.20 124.17 3heg s ILE 17 Ca 0.23 0.66 -0.09 0.00 -0.51 0.00 0.00 60.65 60.94 3heg s ILE 17 Cb -0.16 -3.72 -0.04 0.00 0.61 0.00 0.00 42.46 39.15 3heg s ILE 17 CO 0.12 0.19 0.11 0.26 -2.81 0.00 0.00 174.94 172.81 3heg s TRP 18 N 1.79 3.17 -0.35 3.50 0.52 0.61 -4.94 118.94 123.24 3heg s TRP 18 Ca 0.17 -0.11 0.01 0.00 0.02 0.00 0.00 56.10 56.19 3heg s TRP 18 Cb -0.15 -2.26 0.09 0.00 -1.15 0.00 0.00 33.47 30.00 3heg s TRP 18 CO 0.09 -0.17 0.08 -2.00 0.02 0.00 0.00 176.95 174.96 3heg s GLU 19 N 1.41 1.90 0.12 4.98 2.12 -1.26 -1.48 118.70 126.49 3heg s GLU 19 Ca 0.06 -1.70 0.09 0.00 0.36 0.00 0.00 54.97 53.78 3heg s GLU 19 Cb -0.15 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 3heg s GLU 19 CO 0.06 -0.89 -0.22 0.14 -0.54 0.00 0.00 175.26 173.80 3heg s VAL 20 N 1.06 1.89 0.81 3.70 -7.23 -1.13 -4.56 120.40 114.95 3heg s VAL 20 Ca 0.05 -1.68 -0.13 0.00 -1.81 0.00 0.00 61.98 58.41 3heg s VAL 20 Cb -0.21 -1.73 0.08 0.00 0.56 0.00 0.00 36.38 35.08 3heg s VAL 20 CO -0.05 -0.07 1.15 -2.65 -0.31 0.00 0.00 175.10 173.17 3heg n PRO 21 N 0.87 0.14 0.14 4.82 -0.02 -1.26 -1.76 135.00 137.93 3heg n PRO 21 Ca -0.18 0.12 0.03 0.00 -2.02 0.00 0.00 63.50 61.46 3heg n PRO 21 Cb 0.54 -2.40 0.41 0.00 -0.02 0.00 0.00 33.50 32.03 3heg n PRO 21 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3heg h GLU 22 N -0.95 0.20 -0.89 -0.52 4.11 -1.41 -2.28 114.58 112.83 3heg h GLU 22 Ca -0.46 -0.04 0.30 0.00 0.07 0.00 0.00 59.36 59.23 3heg h GLU 22 Cb 1.30 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.44 3heg h GLU 22 CO 0.45 0.34 0.58 -2.13 0.07 0.00 0.00 179.01 178.32 3heg n ARG 23 N -4.28 -0.02 -4.01 1.06 0.63 -1.26 -4.28 116.66 104.50 3heg n ARG 23 Ca -0.01 0.78 -0.35 0.00 -0.92 0.00 0.00 57.85 57.35 3heg n ARG 23 Cb 0.26 -1.55 -0.11 0.00 0.45 0.00 0.00 32.46 31.51 3heg n ARG 23 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3heg s TYR 24 N -4.60 3.12 0.23 -0.14 1.51 -0.86 -0.44 117.35 116.17 3heg s TYR 24 Ca -0.04 -0.22 0.05 0.00 -1.01 0.00 0.00 57.07 55.84 3heg s TYR 24 Cb 0.19 -2.11 -0.05 0.00 -0.11 0.00 0.00 41.96 39.88 3heg s TYR 24 CO 0.52 -0.10 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.67 3heg s GLN 25 N 0.86 1.34 -1.37 -0.62 2.00 -0.23 -4.87 119.66 116.76 3heg s GLN 25 Ca 0.02 -1.65 -0.06 0.00 -2.00 0.00 0.00 55.36 51.67 3heg s GLN 25 Cb -0.14 -0.79 0.03 0.00 0.80 0.00 0.00 33.01 32.91 3heg s GLN 25 CO 0.02 -0.01 0.90 0.09 -0.50 0.00 0.00 175.29 175.79 3heg n ASN 26 N -0.41 -3.19 -4.71 6.67 3.02 -1.26 -0.38 115.26 114.99 3heg n ASN 26 Ca -0.06 -0.74 -0.42 0.00 -0.03 0.00 0.00 54.58 53.33 3heg n ASN 26 Cb 0.63 -4.29 -0.03 0.00 -0.61 0.00 0.00 39.78 35.48 3heg n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3heg s LEU 27 N -6.92 4.38 -0.03 3.41 1.02 -1.26 -4.53 118.68 114.76 3heg s LEU 27 Ca 0.30 2.83 -0.00 0.00 0.02 0.00 0.00 54.13 57.28 3heg s LEU 27 Cb -0.14 -3.59 0.03 0.00 0.02 0.00 0.00 46.19 42.51 3heg s LEU 27 CO 0.79 -0.98 0.03 -0.94 0.02 0.00 0.00 176.35 175.27 3heg s SER 28 N 1.71 0.33 0.14 2.29 1.04 -0.58 -4.98 113.70 113.65 3heg s SER 28 Ca 0.77 0.03 -0.28 0.00 0.48 0.00 0.00 55.95 56.94 3heg s SER 28 Cb -0.48 -0.12 -0.16 0.00 0.10 0.00 0.00 66.02 65.35 3heg s SER 28 CO 0.34 -0.14 0.60 -2.65 0.98 0.00 0.00 173.24 172.36 3heg n PRO 29 N 4.36 0.00 0.00 4.02 -0.02 -1.26 -1.07 135.00 141.03 3heg n PRO 29 Ca -0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.24 3heg n PRO 29 Cb 0.50 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 3heg n PRO 29 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3heg n VAL 30 N 0.31 0.00 0.00 -1.45 3.14 -0.48 -4.73 118.33 115.12 3heg n VAL 30 Ca 0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.55 3heg n VAL 30 Cb 0.20 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.98 3heg n VAL 30 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3heg n TYR 35 N -1.69 0.00 -2.90 1.45 0.18 -1.26 -4.99 117.16 107.94 3heg n TYR 35 Ca 0.00 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.68 3heg n TYR 35 Cb 0.00 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 38.95 3heg n TYR 35 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3heg n GLY 36 N 0.00 0.13 1.06 -7.48 0.00 -1.26 -5.01 105.19 92.64 3heg n GLY 36 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3heg n GLY 36 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3heg n SER 37 N 2.78 -1.42 -4.18 1.61 7.64 -1.26 -4.42 113.62 114.37 3heg n SER 37 Ca 0.20 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.82 3heg n SER 37 Cb 0.55 -0.71 -0.16 0.00 -1.01 0.00 0.00 64.21 62.88 3heg n SER 37 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3heg s VAL 38 N -0.23 1.49 -0.03 0.44 1.01 -1.26 -1.06 120.40 120.77 3heg s VAL 38 Ca 0.00 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.26 3heg s VAL 38 Cb 0.00 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 3heg s VAL 38 CO 0.00 0.42 -0.24 0.00 0.00 0.00 0.00 175.10 175.29 3heg s ALA 40 N -0.57 3.26 0.02 0.00 0.00 -0.23 -0.88 121.76 123.36 3heg s ALA 40 Ca 0.09 0.98 -0.10 0.00 0.00 0.00 0.00 51.96 52.92 3heg s ALA 40 Cb -0.11 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.65 3heg s ALA 40 CO -0.00 -0.45 0.21 0.00 0.00 0.00 0.00 175.76 175.53 3heg s ALA 41 N -1.33 -0.46 -0.30 0.00 0.00 0.25 -1.53 121.76 118.39 3heg s ALA 41 Ca 0.53 -0.12 -0.20 0.00 0.00 0.00 0.00 51.96 52.17 3heg s ALA 41 Cb -0.32 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 3heg s ALA 41 CO 0.41 -0.32 0.62 0.12 0.00 0.00 0.00 175.76 176.58 3heg s PHE 42 N -2.11 3.22 -0.68 0.00 5.36 0.48 -0.40 117.98 123.85 3heg s PHE 42 Ca -0.09 0.60 -0.23 0.00 -0.96 0.00 0.00 56.93 56.26 3heg s PHE 42 Cb -0.03 -2.95 0.07 0.00 -0.34 0.00 0.00 43.02 39.77 3heg s PHE 42 CO -0.01 -0.44 1.01 0.34 -1.46 0.00 0.00 175.22 174.65 3heg s ASP 43 N 1.62 6.20 0.00 6.13 -1.08 0.88 -1.07 116.67 129.34 3heg s ASP 43 Ca 0.25 -0.99 0.18 0.00 -0.52 0.00 0.00 52.55 51.46 3heg s ASP 43 Cb -0.15 -2.43 0.84 0.00 -1.46 0.00 0.00 42.92 39.71 3heg s ASP 43 CO 0.11 -1.47 1.55 0.35 0.52 0.00 0.00 175.17 176.23 3heg n THR 44 N 5.96 0.61 0.05 1.71 -2.24 0.41 -0.68 114.28 120.10 3heg n THR 44 Ca -0.01 0.15 -0.09 0.00 -2.27 0.00 0.00 64.05 61.83 3heg n THR 44 Cb 0.46 -0.85 -0.13 0.00 -2.10 0.00 0.00 70.33 67.71 3heg n THR 44 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3heg h LYS 45 N 0.00 0.03 0.00 -0.78 3.64 -1.90 -3.37 116.57 114.19 3heg h LYS 45 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3heg h LYS 45 Cb 0.22 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3heg h LYS 45 CO 0.00 0.92 -0.84 0.25 -2.27 0.00 0.00 179.45 177.51 3heg n THR 46 N -3.31 0.00 -0.67 1.00 -2.24 -1.06 -4.99 114.28 103.01 3heg n THR 46 Ca -0.05 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3heg n THR 46 Cb 0.97 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 3heg n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3heg n GLY 47 N 1.81 0.77 3.97 3.38 0.00 0.14 -5.04 105.19 110.22 3heg n GLY 47 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 3heg n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3heg s LEU 48 N 0.00 4.21 -0.08 0.99 1.43 -1.10 -4.84 118.68 119.29 3heg s LEU 48 Ca 0.00 0.14 -0.17 0.00 -1.03 0.00 0.00 54.13 53.07 3heg s LEU 48 Cb 0.00 -2.95 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 3heg s LEU 48 CO 0.00 -0.16 0.45 -0.60 0.23 0.00 0.00 176.35 176.27 3heg s ARG 49 N -4.08 4.21 0.17 1.70 3.52 -1.26 -0.09 118.95 123.13 3heg s ARG 49 Ca 0.36 0.43 0.08 0.00 -0.13 0.00 0.00 55.73 56.47 3heg s ARG 49 Cb -0.09 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 3heg s ARG 49 CO 0.31 0.34 -0.16 0.14 -0.81 0.00 0.00 175.30 175.11 3heg s VAL 50 N 0.05 1.73 -0.19 7.11 -7.23 0.46 -3.55 120.40 118.79 3heg s VAL 50 Ca 0.25 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 58.26 3heg s VAL 50 Cb -0.16 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 3heg s VAL 50 CO 0.11 -0.42 0.43 0.00 -0.31 0.00 0.00 175.10 174.92 3heg s ALA 51 N -2.36 3.54 -0.22 1.32 0.00 0.72 -0.58 121.76 124.19 3heg s ALA 51 Ca 0.17 -0.45 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 3heg s ALA 51 Cb -0.04 -2.67 -0.01 0.00 0.00 0.00 0.00 23.12 20.40 3heg s ALA 51 CO 0.06 -0.28 -0.04 0.08 0.00 0.00 0.00 175.76 175.58 3heg s VAL 52 N 1.27 3.44 -0.20 0.00 1.01 -0.06 -0.34 120.40 125.52 3heg s VAL 52 Ca 0.21 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 3heg s VAL 52 Cb -0.15 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 3heg s VAL 52 CO 0.08 0.42 -0.04 -0.75 0.00 0.00 0.00 175.10 174.82 3heg s LYS 53 N 1.40 3.49 -0.25 2.72 2.20 0.90 -1.04 119.74 129.16 3heg s LYS 53 Ca 0.05 -0.59 -0.10 0.00 -0.36 0.00 0.00 55.97 54.97 3heg s LYS 53 Cb -0.14 -2.98 -0.05 0.00 -1.51 0.00 0.00 37.83 33.14 3heg s LYS 53 CO -0.02 -0.04 0.16 0.21 -0.36 0.00 0.00 175.35 175.30 3heg s LYS 54 N 1.09 4.00 -0.01 4.03 2.20 -0.22 -0.19 119.74 130.64 3heg s LYS 54 Ca 0.01 -0.30 -0.29 0.00 -0.36 0.00 0.00 55.97 55.03 3heg s LYS 54 Cb -0.15 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.59 3heg s LYS 54 CO 0.00 -0.03 0.93 -0.51 -0.36 0.00 0.00 175.35 175.38 3heg s LEU 55 N 1.31 4.36 -0.00 5.43 1.02 -1.10 -4.43 118.68 125.28 3heg s LEU 55 Ca 0.07 1.58 -0.28 0.00 0.02 0.00 0.00 54.13 55.52 3heg s LEU 55 Cb -0.14 -3.48 -0.04 0.00 0.02 0.00 0.00 46.19 42.55 3heg s LEU 55 CO 0.07 -0.23 0.90 -0.94 0.02 0.00 0.00 176.35 176.17 3heg s SER 56 N 0.94 7.28 -1.25 2.29 1.04 -1.26 -4.29 113.70 118.45 3heg s SER 56 Ca 0.49 1.55 -0.18 0.00 0.48 0.00 0.00 55.95 58.30 3heg s SER 56 Cb -0.20 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.39 3heg s SER 56 CO 0.26 -0.19 0.62 0.54 0.98 0.00 0.00 173.24 175.46 3heg n ARG 57 N 3.69 -1.50 0.28 4.02 1.74 -1.26 -4.81 116.66 118.81 3heg n ARG 57 Ca 0.03 0.33 0.13 0.00 -0.77 0.00 0.00 57.85 57.58 3heg n ARG 57 Cb 0.51 -3.82 0.81 0.00 -1.02 0.00 0.00 32.46 28.94 3heg n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3heg h PRO 58 N -2.05 0.00 0.00 5.56 0.13 -1.80 -3.08 132.00 130.76 3heg h PRO 58 Ca -0.67 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.46 3heg h PRO 58 Cb 1.38 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.51 3heg h PRO 58 CO 0.54 0.07 -0.43 1.19 -0.23 0.00 0.00 178.00 179.13 3heg n PHE 59 N -3.78 0.00 0.16 1.56 3.72 -1.26 -2.84 117.46 115.02 3heg n PHE 59 Ca -0.02 -1.43 0.00 0.00 -0.05 0.00 0.00 57.45 55.95 3heg n PHE 59 Cb 0.16 -0.24 0.26 0.00 -0.94 0.00 0.00 39.48 38.73 3heg n PHE 59 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3heg h GLN 60 N 0.86 0.02 -4.82 -1.08 4.15 -1.88 -3.45 115.11 108.91 3heg h GLN 60 Ca -0.00 -0.01 -0.46 0.00 0.77 0.00 0.00 58.65 58.95 3heg h GLN 60 Cb 1.00 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 28.57 3heg h GLN 60 CO 0.00 0.50 -0.44 -1.54 -1.93 0.00 0.00 178.83 175.43 3heg s SER 61 N -6.89 1.69 0.08 -0.69 1.04 -1.26 -5.02 113.70 102.65 3heg s SER 61 Ca -0.02 -1.76 -0.19 0.00 0.48 0.00 0.00 55.95 54.46 3heg s SER 61 Cb 0.14 0.59 -0.09 0.00 0.10 0.00 0.00 66.02 66.75 3heg s SER 61 CO 0.75 -1.12 1.53 0.40 0.98 0.00 0.00 173.24 175.78 3heg h ILE 62 N 2.10 1.24 -0.51 -1.02 2.04 -1.93 -0.88 117.51 118.55 3heg h ILE 62 Ca -0.25 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 3heg h ILE 62 Cb 1.23 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 3heg h ILE 62 CO 0.36 0.25 0.26 0.40 0.00 0.00 0.00 178.15 179.41 3heg h ILE 63 N 0.15 1.19 -0.77 -0.67 1.08 -1.97 0.33 117.51 116.84 3heg h ILE 63 Ca 0.06 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 3heg h ILE 63 Cb 0.35 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 34.66 3heg h ILE 63 CO 0.01 0.21 0.50 0.45 -0.69 0.00 0.00 178.15 178.62 3heg h HIS 64 N 0.67 0.99 -0.22 1.37 3.86 -1.84 -1.00 115.15 118.97 3heg h HIS 64 Ca 0.18 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.34 3heg h HIS 64 Cb 0.10 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 3heg h HIS 64 CO -0.01 0.63 -0.09 0.00 0.86 0.00 0.00 177.93 179.32 3heg h ALA 65 N 1.27 0.31 -0.89 2.45 0.00 -0.92 -1.30 119.26 120.18 3heg h ALA 65 Ca 0.28 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3heg h ALA 65 Cb -0.10 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 3heg h ALA 65 CO -0.06 0.14 0.57 -0.22 0.00 0.00 0.00 179.25 179.68 3heg h LYS 66 N 0.16 1.05 -0.03 0.00 3.64 -0.92 -2.19 116.57 118.29 3heg h LYS 66 Ca 0.05 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3heg h LYS 66 Cb 0.57 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3heg h LYS 66 CO 0.03 0.70 0.02 -0.09 -2.27 0.00 0.00 179.45 177.83 3heg h ARG 67 N 1.09 0.04 -0.30 1.90 2.43 -1.02 -0.54 114.38 117.96 3heg h ARG 67 Ca 0.36 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.59 3heg h ARG 67 Cb 0.05 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 3heg h ARG 67 CO -0.13 0.08 -0.08 1.15 -1.51 0.00 0.00 179.97 179.47 3heg h THR 68 N -0.02 0.68 -0.77 0.20 2.02 -1.16 -1.38 112.91 112.48 3heg h THR 68 Ca 0.01 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 3heg h THR 68 Cb 0.05 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 3heg h THR 68 CO -0.00 0.00 0.29 0.22 0.37 0.00 0.00 175.52 176.39 3heg h TYR 69 N -0.01 1.20 -0.50 3.16 5.03 -1.25 -1.42 116.97 123.17 3heg h TYR 69 Ca 0.15 -0.10 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 3heg h TYR 69 Cb 0.24 -0.36 -0.02 0.00 1.55 0.00 0.00 36.73 38.14 3heg h TYR 69 CO -0.30 0.92 0.22 -0.09 -1.32 0.00 0.00 178.16 177.60 3heg h ARG 70 N 1.14 0.73 -0.24 1.82 2.43 -0.80 0.12 114.38 119.57 3heg h ARG 70 Ca 0.26 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3heg h ARG 70 Cb 0.25 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3heg h ARG 70 CO -0.02 0.63 -0.11 1.49 -1.51 0.00 0.00 179.97 180.45 3heg h GLU 71 N 0.67 0.50 -0.18 0.20 4.57 -1.06 -1.73 114.58 117.54 3heg h GLU 71 Ca 0.17 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 3heg h GLU 71 Cb 0.15 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 3heg h GLU 71 CO -0.02 0.76 0.09 1.25 -1.18 0.00 0.00 179.01 179.91 3heg h LEU 72 N 0.22 0.23 -0.87 1.64 6.46 -1.12 -0.72 115.31 121.14 3heg h LEU 72 Ca 0.05 -0.11 0.11 0.00 -0.12 0.00 0.00 57.88 57.82 3heg h LEU 72 Cb 0.61 -0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 40.40 3heg h LEU 72 CO 0.03 0.27 0.50 0.03 -0.62 0.00 0.00 178.44 178.66 3heg h ARG 73 N 0.17 0.77 -0.02 1.25 2.47 -0.71 -2.15 114.38 116.15 3heg h ARG 73 Ca 0.06 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 3heg h ARG 73 Cb 0.10 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 3heg h ARG 73 CO -0.01 0.51 -0.07 1.25 0.56 0.00 0.00 179.97 182.22 3heg h LEU 74 N 0.80 0.10 -1.04 3.04 6.46 -0.93 -2.84 115.31 120.90 3heg h LEU 74 Ca 0.44 -0.61 0.05 0.00 -0.12 0.00 0.00 57.88 57.64 3heg h LEU 74 Cb 0.47 -0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.31 3heg h LEU 74 CO -0.28 0.69 0.64 -0.07 -0.62 0.00 0.00 178.44 178.80 3heg h LEU 75 N -0.49 1.05 -1.97 2.25 3.38 -1.05 -1.03 115.31 117.44 3heg h LEU 75 Ca -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3heg h LEU 75 Cb 0.68 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3heg h LEU 75 CO 0.01 0.69 -0.08 0.11 0.09 0.00 0.00 178.44 179.27 3heg h LYS 76 N 1.20 0.00 0.00 1.13 1.57 -1.40 -3.00 116.57 116.07 3heg h LYS 76 Ca 0.41 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.98 3heg h LYS 76 Cb 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 3heg h LYS 76 CO -0.14 0.08 -1.56 1.58 -0.57 0.00 0.00 179.45 178.83 3heg n HIS 77 N -3.43 0.91 -2.31 -1.35 -0.00 -0.45 -4.85 115.22 103.75 3heg n HIS 77 Ca -0.01 0.31 -0.43 0.00 0.46 0.00 0.00 57.72 58.05 3heg n HIS 77 Cb 0.23 -1.10 -0.02 0.00 -0.12 0.00 0.00 29.99 28.98 3heg n HIS 77 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 3heg s MET 78 N -2.82 3.54 -0.44 1.57 -1.94 -0.87 -4.91 119.30 113.43 3heg s MET 78 Ca -0.04 0.98 0.07 0.00 -1.71 0.00 0.00 55.69 54.99 3heg s MET 78 Cb 0.08 -4.05 0.23 0.00 2.01 0.00 0.00 34.83 33.11 3heg s MET 78 CO 0.82 -1.60 0.51 1.63 -0.01 0.00 0.00 175.02 176.37 3heg n LYS 79 N 8.13 0.90 -3.75 2.03 5.02 -1.26 -4.49 118.16 124.74 3heg n LYS 79 Ca 0.17 -3.46 -0.14 0.00 -2.02 0.00 0.00 58.31 52.87 3heg n LYS 79 Cb 0.48 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.92 3heg n LYS 79 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3heg s HIS 80 N -1.13 -0.24 0.28 2.13 2.46 -1.26 -5.06 115.29 112.47 3heg s HIS 80 Ca 0.35 0.42 -0.01 0.00 0.47 0.00 0.00 55.06 56.30 3heg s HIS 80 Cb 0.13 0.12 0.40 0.00 -0.13 0.00 0.00 32.58 33.11 3heg s HIS 80 CO -0.12 -0.37 1.80 0.93 -2.47 0.00 0.00 174.74 174.51 3heg h GLU 81 N 4.08 0.76 -0.73 2.88 5.08 -1.98 -2.75 114.58 121.91 3heg h GLU 81 Ca -0.29 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 57.79 3heg h GLU 81 Cb 1.18 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.26 3heg h GLU 81 CO 0.38 0.74 0.13 0.09 -1.00 0.00 0.00 179.01 179.35 3heg n ASN 82 N -4.25 4.71 -3.85 1.42 4.13 -1.26 -4.73 115.26 111.43 3heg n ASN 82 Ca 0.03 -2.93 -0.15 0.00 1.68 0.00 0.00 54.58 53.21 3heg n ASN 82 Cb 0.27 -0.69 -0.15 0.00 -1.54 0.00 0.00 39.78 37.66 3heg n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3heg s VAL 83 N -2.57 0.13 0.28 2.41 1.01 -1.04 -0.89 120.40 119.74 3heg s VAL 83 Ca 0.47 0.03 -0.27 0.00 0.00 0.00 0.00 61.98 62.21 3heg s VAL 83 Cb 0.37 -0.18 -0.15 0.00 0.00 0.00 0.00 36.38 36.41 3heg s VAL 83 CO 0.12 0.09 0.66 0.00 0.00 0.00 0.00 175.10 175.98 3heg n ILE 84 N 3.64 1.87 -4.33 2.22 3.06 0.24 -4.45 119.36 121.61 3heg n ILE 84 Ca -0.21 -0.50 -0.18 0.00 -2.50 0.00 0.00 62.75 59.37 3heg n ILE 84 Cb 0.54 -0.43 -0.10 0.00 0.54 0.00 0.00 39.64 40.20 3heg n ILE 84 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 3heg s GLY 85 N -0.84 1.40 -0.41 4.50 0.00 -1.26 -4.76 107.32 105.94 3heg s GLY 85 Ca 0.62 -1.66 -0.17 0.00 0.00 0.00 0.00 44.72 43.51 3heg s GLY 85 CO 0.58 -1.72 0.42 -2.27 0.00 0.00 0.00 173.10 170.10 3heg s LEU 86 N -3.30 4.86 0.08 0.66 0.20 -1.25 -4.38 118.68 115.55 3heg s LEU 86 Ca 0.22 -0.67 -0.14 0.00 0.69 0.00 0.00 54.13 54.23 3heg s LEU 86 Cb 0.01 -2.36 -0.20 0.00 -0.43 0.00 0.00 46.19 43.21 3heg s LEU 86 CO 0.06 -0.55 1.23 -0.07 -0.29 0.00 0.00 176.35 176.73 3heg h LEU 87 N 8.98 0.88 -7.23 -0.68 4.07 -0.12 -3.44 115.31 117.76 3heg h LEU 87 Ca -0.27 -0.69 -0.06 0.00 0.08 0.00 0.00 57.88 56.94 3heg h LEU 87 Cb 1.11 -0.26 -0.16 0.00 1.08 0.00 0.00 40.66 42.43 3heg h LEU 87 CO 0.78 1.44 0.01 -0.62 -1.08 0.00 0.00 178.44 178.97 3heg s ASP 88 N -7.13 -0.41 -0.05 -0.43 3.68 -0.92 -4.50 116.67 106.90 3heg s ASP 88 Ca -0.11 0.11 -0.00 0.00 2.13 0.00 0.00 52.55 54.69 3heg s ASP 88 Cb 0.07 0.48 0.03 0.00 -1.45 0.00 0.00 42.92 42.05 3heg s ASP 88 CO 0.90 -0.73 -0.01 0.54 0.13 0.00 0.00 175.17 176.01 3heg s VAL 89 N -2.56 0.37 0.09 1.11 0.11 -1.26 -0.17 120.40 118.08 3heg s VAL 89 Ca -0.05 0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.10 3heg s VAL 89 Cb -0.01 -0.48 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 3heg s VAL 89 CO -0.03 0.23 -0.10 0.72 -3.33 0.00 0.00 175.10 172.59 3heg s PHE 90 N 1.51 1.01 0.02 1.54 -0.12 -0.68 -4.98 117.98 116.28 3heg s PHE 90 Ca -0.02 -0.64 0.05 0.00 -0.05 0.00 0.00 56.93 56.27 3heg s PHE 90 Cb -0.13 -0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 41.68 3heg s PHE 90 CO -0.03 -0.02 -0.15 -0.08 -0.05 0.00 0.00 175.22 174.90 3heg s THR 91 N -2.29 1.17 -0.27 -4.49 -1.32 -1.26 -0.59 115.64 106.60 3heg s THR 91 Ca 0.03 -0.89 0.24 0.00 -1.21 0.00 0.00 61.69 59.86 3heg s THR 91 Cb -0.04 -1.02 0.24 0.00 -1.51 0.00 0.00 72.50 70.17 3heg s THR 91 CO -0.00 0.13 1.72 1.55 -2.21 0.00 0.00 174.62 175.80 3heg h PRO 92 N 5.21 0.00 -6.99 7.08 0.13 -1.80 -3.46 132.00 132.17 3heg h PRO 92 Ca -0.37 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.25 3heg h PRO 92 Cb 1.17 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.37 3heg h PRO 92 CO 0.45 0.00 0.50 0.00 -0.23 0.00 0.00 178.00 178.72 3heg s ALA 93 N -3.49 3.01 -0.15 -0.56 0.00 -1.26 -4.94 121.76 114.37 3heg s ALA 93 Ca 0.00 0.97 0.19 0.00 0.00 0.00 0.00 51.96 53.11 3heg s ALA 93 Cb 0.08 -3.39 -0.27 0.00 0.00 0.00 0.00 23.12 19.53 3heg s ALA 93 CO 0.29 -0.67 0.19 -2.13 0.00 0.00 0.00 175.76 173.44 3heg n ARG 94 N -0.39 0.73 -4.22 0.00 0.00 -1.26 -4.97 116.66 106.56 3heg n ARG 94 Ca 0.07 -0.06 -0.14 0.00 -0.00 0.00 0.00 57.85 57.72 3heg n ARG 94 Cb 0.47 -1.51 -0.10 0.00 0.00 0.00 0.00 32.46 31.32 3heg n ARG 94 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3heg s SER 95 N -5.14 1.59 0.39 6.15 1.04 -1.26 -5.00 113.70 111.46 3heg s SER 95 Ca -0.09 -0.95 0.18 0.00 0.48 0.00 0.00 55.95 55.57 3heg s SER 95 Cb 0.08 0.01 1.10 0.00 0.10 0.00 0.00 66.02 67.31 3heg s SER 95 CO 0.83 -0.33 1.75 0.25 0.98 0.00 0.00 173.24 176.72 3heg h LEU 96 N 3.06 0.47 -0.43 2.42 6.46 -1.97 -2.28 115.31 123.04 3heg h LEU 96 Ca -0.37 0.10 -0.06 0.00 -0.12 0.00 0.00 57.88 57.43 3heg h LEU 96 Cb 1.19 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 41.13 3heg h LEU 96 CO 0.60 0.06 0.02 -0.33 -0.62 0.00 0.00 178.44 178.17 3heg h GLU 97 N 0.39 0.74 -0.22 1.25 3.07 -2.01 -1.93 114.58 115.88 3heg h GLU 97 Ca 0.63 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 3heg h GLU 97 Cb 1.56 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.40 3heg h GLU 97 CO -0.35 0.80 0.00 -0.85 -1.40 0.00 0.00 179.01 177.21 3heg n GLU 98 N -4.43 1.66 -2.21 2.33 0.28 -0.90 -4.92 120.64 112.44 3heg n GLU 98 Ca -0.00 -1.01 -0.43 0.00 -0.16 0.00 0.00 57.16 55.56 3heg n GLU 98 Cb 0.28 -1.32 -0.02 0.00 1.43 0.00 0.00 31.44 31.81 3heg n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3heg s PHE 99 N -1.72 2.13 0.00 -1.84 5.36 -0.73 -4.70 117.98 116.48 3heg s PHE 99 Ca 0.27 0.64 0.00 0.00 -0.96 0.00 0.00 56.93 56.88 3heg s PHE 99 Cb 0.14 -4.24 0.00 0.00 -0.34 0.00 0.00 43.02 38.58 3heg s PHE 99 CO 0.20 -2.35 0.00 -1.71 -1.46 0.00 0.00 175.22 169.90 3heg n ASN 100 N 9.66 1.44 -4.45 6.13 2.85 -1.26 -5.05 115.26 124.58 3heg n ASN 100 Ca 0.19 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.36 3heg n ASN 100 Cb 0.48 0.15 -0.12 0.00 1.24 0.00 0.00 39.78 41.52 3heg n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 3heg s ASP 101 N -1.55 3.70 -0.08 1.20 1.01 -1.26 -4.54 116.67 115.15 3heg s ASP 101 Ca 0.00 -0.53 0.01 0.00 0.71 0.00 0.00 52.55 52.74 3heg s ASP 101 Cb 0.00 -0.51 0.02 0.00 1.01 0.00 0.00 42.92 43.44 3heg s ASP 101 CO 0.00 0.22 -0.08 -0.69 0.21 0.00 0.00 175.17 174.83 3heg s VAL 102 N -1.00 0.94 -0.08 -1.27 1.01 -1.26 -4.44 120.40 114.30 3heg s VAL 102 Ca 0.15 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3heg s VAL 102 Cb -0.10 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 3heg s VAL 102 CO 0.07 0.33 -0.17 -0.31 0.00 0.00 0.00 175.10 175.02 3heg s TYR 103 N 1.20 2.67 -0.18 5.22 1.51 0.25 -2.71 117.35 125.31 3heg s TYR 103 Ca -0.05 -0.47 -0.05 0.00 -1.01 0.00 0.00 57.07 55.49 3heg s TYR 103 Cb -0.14 -1.69 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 3heg s TYR 103 CO -0.02 -0.05 -0.00 -0.51 -1.11 0.00 0.00 175.55 173.85 3heg s LEU 104 N -0.23 3.36 -0.27 -1.29 1.43 0.73 -1.68 118.68 120.73 3heg s LEU 104 Ca 0.00 -0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 52.93 3heg s LEU 104 Cb -0.13 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.26 3heg s LEU 104 CO 0.03 0.13 0.03 -0.69 0.23 0.00 0.00 176.35 176.08 3heg s VAL 105 N 0.61 3.69 0.24 -1.59 1.01 0.76 -0.07 120.40 125.06 3heg s VAL 105 Ca -0.01 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.36 3heg s VAL 105 Cb -0.14 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 3heg s VAL 105 CO 0.02 0.17 -0.11 -0.89 0.00 0.00 0.00 175.10 174.29 3heg s THR 106 N 1.47 1.75 0.59 3.92 2.01 0.54 0.65 115.64 126.58 3heg s THR 106 Ca 0.03 -2.19 -0.18 0.00 0.31 0.00 0.00 61.69 59.66 3heg s THR 106 Cb -0.16 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 3heg s THR 106 CO 0.00 -0.45 1.14 -1.00 -0.69 0.00 0.00 174.62 173.63 3heg s HIS 107 N -2.96 2.57 -0.12 4.92 3.76 -1.26 -0.20 115.29 121.99 3heg s HIS 107 Ca 0.26 1.54 -0.29 0.00 -0.15 0.00 0.00 55.06 56.42 3heg s HIS 107 Cb 0.01 -3.31 -0.01 0.00 1.11 0.00 0.00 32.58 30.38 3heg s HIS 107 CO 0.10 -1.79 1.07 -1.17 -0.85 0.00 0.00 174.74 172.10 3heg s LEU 108 N -4.21 4.22 -0.21 0.89 2.96 -1.23 -4.04 118.68 117.06 3heg s LEU 108 Ca 0.72 1.58 -0.27 0.00 -0.22 0.00 0.00 54.13 55.94 3heg s LEU 108 Cb -0.25 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 42.89 3heg s LEU 108 CO 0.33 -0.54 0.94 -0.32 -1.32 0.00 0.00 176.35 175.44 3heg s MET 109 N 2.37 4.26 0.00 1.98 -2.45 -1.26 -4.93 119.30 119.27 3heg s MET 109 Ca 0.50 1.19 0.00 0.00 -1.25 0.00 0.00 55.69 56.13 3heg s MET 109 Cb -0.19 -3.62 0.00 0.00 1.25 0.00 0.00 34.83 32.27 3heg s MET 109 CO 0.16 -0.51 0.00 0.41 1.05 0.00 0.00 175.02 176.13 3heg n GLY 110 N 3.44 1.31 3.87 2.11 0.00 -1.26 -4.97 105.19 109.68 3heg n GLY 110 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3heg n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3heg s ALA 111 N -4.17 3.78 0.73 4.61 0.00 -1.26 -5.04 121.76 120.41 3heg s ALA 111 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 3heg s ALA 111 Cb 0.00 -2.19 0.13 0.00 0.00 0.00 0.00 23.12 21.06 3heg s ALA 111 CO 0.00 0.59 1.01 0.16 0.00 0.00 0.00 175.76 177.52 3heg s ASP 112 N -1.58 4.29 0.31 0.00 3.84 -1.26 -1.63 116.67 120.63 3heg s ASP 112 Ca 0.28 -0.35 0.06 0.00 -0.00 0.00 0.00 52.55 52.55 3heg s ASP 112 Cb -0.14 -0.01 0.73 0.00 -1.38 0.00 0.00 42.92 42.12 3heg s ASP 112 CO 0.16 -1.90 1.80 0.25 -0.00 0.00 0.00 175.17 175.47 3heg h LEU 113 N -0.58 0.79 -0.28 2.11 6.46 -0.79 -1.77 115.31 121.24 3heg h LEU 113 Ca -0.37 0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 57.41 3heg h LEU 113 Cb 1.27 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 3heg h LEU 113 CO 0.40 0.32 -0.08 0.78 -0.62 0.00 0.00 178.44 179.24 3heg h ASN 114 N 0.79 0.56 -0.40 1.25 -0.26 -1.88 -2.20 115.58 113.43 3heg h ASN 114 Ca 0.55 -0.37 0.09 0.00 -0.56 0.00 0.00 56.30 56.00 3heg h ASN 114 Cb 0.83 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.92 3heg h ASN 114 CO -0.34 0.80 0.28 0.78 -1.06 0.00 0.00 177.43 177.90 3heg h ASN 115 N 0.31 0.15 -0.08 5.81 -0.26 -1.86 0.77 115.58 120.42 3heg h ASN 115 Ca 0.07 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.66 3heg h ASN 115 Cb 0.56 -0.03 0.01 0.00 -1.06 0.00 0.00 38.32 37.80 3heg h ASN 115 CO 0.03 0.09 -0.54 0.40 -1.06 0.00 0.00 177.43 176.35 3heg h ILE 116 N 0.16 1.37 0.37 2.81 1.08 -1.04 -2.88 117.51 119.38 3heg h ILE 116 Ca 0.19 -1.88 -0.02 0.00 -0.39 0.00 0.00 64.86 62.75 3heg h ILE 116 Cb 0.53 2.27 0.00 0.00 -3.07 0.00 0.00 36.82 36.55 3heg h ILE 116 CO -0.03 0.56 -0.18 0.58 -0.69 0.00 0.00 178.15 178.40 3heg h VAL 117 N 0.09 0.64 0.00 1.67 2.07 -1.18 -3.01 116.25 116.53 3heg h VAL 117 Ca -0.04 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3heg h VAL 117 Cb 1.19 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3heg h VAL 117 CO 0.11 0.06 0.00 0.29 0.02 0.00 0.00 177.57 178.05 3heg n LYS 118 N -5.23 0.41 -0.09 1.57 4.76 0.25 0.05 118.16 119.88 3heg n LYS 118 Ca -0.10 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.24 3heg n LYS 118 Cb 0.26 -1.00 -0.04 0.00 -1.84 0.00 0.00 35.03 32.41 3heg n LYS 118 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3heg s GLN 120 N -2.63 0.63 0.25 0.00 -2.07 0.11 -5.12 119.66 110.83 3heg s GLN 120 Ca -0.25 -0.71 -0.23 0.00 -1.82 0.00 0.00 55.36 52.35 3heg s GLN 120 Cb 0.04 0.26 -0.09 0.00 -1.09 0.00 0.00 33.01 32.13 3heg s GLN 120 CO 0.37 -0.17 0.82 -1.59 -1.32 0.00 0.00 175.29 173.40 3heg s LYS 121 N -2.61 4.44 -0.15 9.60 -2.85 -1.26 -4.49 119.74 122.42 3heg s LYS 121 Ca -0.05 1.10 -0.10 0.00 -1.00 0.00 0.00 55.97 55.92 3heg s LYS 121 Cb -0.01 -2.93 -0.05 0.00 -2.06 0.00 0.00 37.83 32.79 3heg s LYS 121 CO -0.04 0.39 0.19 -0.51 0.10 0.00 0.00 175.35 175.47 3heg s LEU 122 N -1.84 4.30 0.76 2.77 1.43 -1.26 -5.32 118.68 119.52 3heg s LEU 122 Ca 0.44 0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 53.86 3heg s LEU 122 Cb -0.19 -2.18 0.04 0.00 0.03 0.00 0.00 46.19 43.90 3heg s LEU 122 CO 0.23 0.26 1.09 -0.89 0.23 0.00 0.00 176.35 177.27 3heg s THR 123 N -0.23 3.39 0.48 5.49 2.01 -1.26 -4.94 115.64 120.59 3heg s THR 123 Ca 0.13 0.45 0.23 0.00 0.31 0.00 0.00 61.69 62.81 3heg s THR 123 Cb -0.12 -3.24 0.27 0.00 0.01 0.00 0.00 72.50 69.43 3heg s THR 123 CO 0.02 -0.59 2.11 -0.78 -0.69 0.00 0.00 174.62 174.69 3heg h ASP 124 N -0.92 0.00 -0.01 3.53 3.58 -1.99 -2.33 116.42 118.28 3heg h ASP 124 Ca -0.46 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 56.81 3heg h ASP 124 Cb 1.25 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.30 3heg h ASP 124 CO 0.59 0.09 -0.62 -0.78 -2.88 0.00 0.00 179.24 175.65 3heg h ASP 125 N 0.00 0.71 -0.16 2.28 1.82 -1.99 -1.96 116.42 117.12 3heg h ASP 125 Ca -0.00 -0.41 -0.00 0.00 -0.39 0.00 0.00 57.03 56.23 3heg h ASP 125 Cb 0.20 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 3heg h ASP 125 CO 0.01 1.16 0.09 0.45 -1.61 0.00 0.00 179.24 179.34 3heg h HIS 126 N 0.46 0.21 -0.89 0.28 3.86 -1.82 -1.34 115.15 115.91 3heg h HIS 126 Ca -0.01 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.28 3heg h HIS 126 Cb 1.20 -0.07 -0.07 0.00 1.06 0.00 0.00 27.41 29.53 3heg h HIS 126 CO 0.06 0.19 0.55 0.28 0.86 0.00 0.00 177.93 179.86 3heg h VAL 127 N 0.17 0.99 -0.19 2.45 2.07 -1.43 0.52 116.25 120.83 3heg h VAL 127 Ca 0.06 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3heg h VAL 127 Cb 0.04 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 3heg h VAL 127 CO -0.01 0.17 0.09 1.56 0.02 0.00 0.00 177.57 179.41 3heg h GLN 128 N 0.95 0.27 -0.12 1.57 4.20 -1.14 -1.30 115.11 119.54 3heg h GLN 128 Ca 0.41 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 59.04 3heg h GLN 128 Cb 0.28 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 3heg h GLN 128 CO -0.21 0.30 -0.09 0.35 -0.67 0.00 0.00 178.83 178.50 3heg h PHE 129 N 0.18 0.32 0.14 2.96 3.57 -0.87 0.30 116.94 123.53 3heg h PHE 129 Ca 0.07 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3heg h PHE 129 Cb 0.11 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3heg h PHE 129 CO -0.03 0.66 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.51 3heg h LEU 130 N -0.11 -0.35 -0.70 0.59 4.07 -0.89 -2.08 115.31 115.84 3heg h LEU 130 Ca 0.02 0.03 -0.13 0.00 0.08 0.00 0.00 57.88 57.88 3heg h LEU 130 Cb 0.59 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.44 3heg h LEU 130 CO 0.02 -0.20 -0.42 0.40 -1.08 0.00 0.00 178.44 177.16 3heg h ILE 131 N -0.29 1.30 -0.56 1.22 1.08 -1.31 -2.30 117.51 116.65 3heg h ILE 131 Ca 0.00 -1.59 0.11 0.00 -0.39 0.00 0.00 64.86 63.00 3heg h ILE 131 Cb 0.28 1.59 -0.09 0.00 -3.07 0.00 0.00 36.82 35.53 3heg h ILE 131 CO -0.03 0.50 0.03 0.22 -0.69 0.00 0.00 178.15 178.18 3heg h TYR 132 N 0.42 0.03 -0.14 1.37 3.20 -0.84 -1.68 116.97 119.33 3heg h TYR 132 Ca 0.03 0.04 -0.20 0.00 3.14 0.00 0.00 58.73 61.74 3heg h TYR 132 Cb 0.91 0.07 0.01 0.00 1.54 0.00 0.00 36.73 39.26 3heg h TYR 132 CO 0.03 -0.11 -0.70 1.96 -1.64 0.00 0.00 178.16 177.70 3heg h GLN 133 N 0.15 0.72 -0.19 1.82 4.20 -1.19 -0.75 115.11 119.88 3heg h GLN 133 Ca 0.29 -0.59 0.05 0.00 0.06 0.00 0.00 58.65 58.46 3heg h GLN 133 Cb 0.44 0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.29 3heg h GLN 133 CO -0.44 1.20 -0.18 0.82 -0.67 0.00 0.00 178.83 179.56 3heg h ILE 134 N 0.42 0.52 -0.97 2.54 2.04 -1.33 -1.72 117.51 119.01 3heg h ILE 134 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3heg h ILE 134 Cb 1.34 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 3heg h ILE 134 CO 0.15 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.84 3heg h LEU 135 N -0.20 1.14 -0.55 1.44 3.38 -1.19 -0.09 115.31 119.24 3heg h LEU 135 Ca 0.12 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3heg h LEU 135 Cb 0.37 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3heg h LEU 135 CO -0.30 0.85 0.09 -0.09 0.09 0.00 0.00 178.44 179.07 3heg h ARG 136 N 1.33 0.91 -0.69 1.13 2.43 -1.01 0.21 114.38 118.69 3heg h ARG 136 Ca 0.35 -0.25 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 3heg h ARG 136 Cb -0.11 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 3heg h ARG 136 CO -0.07 0.88 0.18 0.78 -1.51 0.00 0.00 179.97 180.23 3heg h GLY 137 N 0.80 1.18 1.44 2.80 0.00 -1.10 -2.93 103.07 105.27 3heg h GLY 137 Ca 0.17 -0.73 -0.10 0.00 0.00 0.00 0.00 47.33 46.66 3heg h GLY 137 CO 0.01 0.68 -0.20 -2.00 0.00 0.00 0.00 176.54 175.04 3heg h LEU 138 N 1.03 0.65 -0.55 3.11 5.85 -0.83 -1.71 115.31 122.86 3heg h LEU 138 Ca 0.22 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.80 3heg h LEU 138 Cb 0.36 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 3heg h LEU 138 CO 0.00 0.85 0.21 0.50 -0.34 0.00 0.00 178.44 179.66 3heg h LYS 139 N 0.58 0.40 -0.49 1.25 3.64 -0.48 0.92 116.57 122.38 3heg h LYS 139 Ca 0.09 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3heg h LYS 139 Cb 0.66 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 3heg h LYS 139 CO 0.05 0.26 0.27 -0.92 -2.27 0.00 0.00 179.45 176.84 3heg h TYR 140 N 0.41 0.67 -0.02 1.91 3.20 -1.27 -2.58 116.97 119.29 3heg h TYR 140 Ca 0.27 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 3heg h TYR 140 Cb 0.28 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 3heg h TYR 140 CO -0.15 0.50 -0.02 0.82 -1.64 0.00 0.00 178.16 177.66 3heg h ILE 141 N 0.65 1.39 -0.81 1.81 2.04 -0.63 -2.83 117.51 119.13 3heg h ILE 141 Ca 0.17 -1.18 0.18 0.00 1.00 0.00 0.00 64.86 65.03 3heg h ILE 141 Cb 0.05 2.13 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 3heg h ILE 141 CO -0.03 0.31 0.55 0.45 0.00 0.00 0.00 178.15 179.43 3heg h HIS 142 N -0.41 0.45 0.00 1.37 3.86 -0.89 -1.66 115.15 117.87 3heg h HIS 142 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3heg h HIS 142 Cb 0.52 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.85 3heg h HIS 142 CO 0.09 0.15 0.00 -1.13 0.86 0.00 0.00 177.93 177.90 3heg n SER 143 N -4.47 0.01 -1.03 2.45 3.41 -0.97 -1.49 113.62 111.53 3heg n SER 143 Ca 0.16 0.50 0.09 0.00 -0.26 0.00 0.00 58.87 59.37 3heg n SER 143 Cb 0.63 -0.50 0.26 0.00 -0.26 0.00 0.00 64.21 64.33 3heg n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3heg n ALA 144 N -1.50 2.42 -1.93 7.33 0.00 -0.65 -4.73 120.51 121.46 3heg n ALA 144 Ca 0.06 -0.96 -0.16 0.00 0.00 0.00 0.00 53.44 52.38 3heg n ALA 144 Cb 0.31 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 3heg n ALA 144 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3heg n ASP 145 N 1.14 -4.85 -4.86 0.00 4.64 -0.55 -4.48 116.55 107.59 3heg n ASP 145 Ca 0.19 0.17 -0.37 0.00 -1.38 0.00 0.00 54.79 53.40 3heg n ASP 145 Cb 0.48 -3.88 -0.06 0.00 -1.04 0.00 0.00 41.12 36.62 3heg n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3heg s ILE 146 N -2.71 5.38 -0.14 5.18 1.01 -1.08 -5.03 121.20 123.82 3heg s ILE 146 Ca 0.00 0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.82 3heg s ILE 146 Cb 0.00 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.13 3heg s ILE 146 CO 0.00 0.61 -0.20 -0.63 0.00 0.00 0.00 174.94 174.72 3heg s ILE 147 N -1.02 2.25 -0.00 2.92 1.01 -1.26 -3.56 121.20 121.54 3heg s ILE 147 Ca 0.15 -0.92 -0.25 0.00 0.00 0.00 0.00 60.65 59.63 3heg s ILE 147 Cb -0.12 -1.91 -0.19 0.00 0.01 0.00 0.00 42.46 40.25 3heg s ILE 147 CO 0.04 0.54 1.33 -0.74 0.00 0.00 0.00 174.94 176.11 3heg h HIS 148 N 7.23 -0.04 0.00 3.97 -0.00 -1.96 -3.46 115.15 120.88 3heg h HIS 148 Ca -0.31 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.06 3heg h HIS 148 Cb 1.20 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 3heg h HIS 148 CO 0.48 0.35 0.00 0.54 -0.00 0.00 0.00 177.93 179.31 3heg n ARG 149 N -4.92 0.00 -2.65 5.26 1.74 -1.26 -4.76 116.66 110.08 3heg n ARG 149 Ca -0.08 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.93 3heg n ARG 149 Cb 0.22 -3.26 0.04 0.00 -1.02 0.00 0.00 32.46 28.44 3heg n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3heg n ASP 150 N 0.00 2.30 -4.70 0.55 4.64 -1.26 -5.02 116.55 113.07 3heg n ASP 150 Ca 0.00 -2.53 -0.42 0.00 -1.38 0.00 0.00 54.79 50.46 3heg n ASP 150 Cb 0.00 -0.46 -0.03 0.00 -1.04 0.00 0.00 41.12 39.59 3heg n ASP 150 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3heg s LEU 151 N -3.65 4.35 0.13 -2.67 1.43 -1.26 -4.83 118.68 112.18 3heg s LEU 151 Ca 0.32 2.37 -0.25 0.00 -1.03 0.00 0.00 54.13 55.54 3heg s LEU 151 Cb 0.36 -3.57 0.07 0.00 0.03 0.00 0.00 46.19 43.08 3heg s LEU 151 CO -0.02 -0.80 0.87 -1.59 0.23 0.00 0.00 176.35 175.05 3heg s LYS 152 N 2.15 1.18 0.49 1.70 -2.85 -1.26 -4.82 119.74 116.33 3heg s LYS 152 Ca 0.69 -0.59 0.16 0.00 -1.00 0.00 0.00 55.97 55.23 3heg s LYS 152 Cb -0.37 0.45 1.17 0.00 -2.06 0.00 0.00 37.83 37.01 3heg s LYS 152 CO 0.30 -0.53 2.07 -1.35 0.10 0.00 0.00 175.35 175.94 3heg h PRO 153 N 2.00 0.18 0.00 1.78 0.11 -1.94 0.12 132.00 134.24 3heg h PRO 153 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3heg h PRO 153 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3heg h PRO 153 CO 0.28 0.12 0.00 0.66 -0.21 0.00 0.00 178.00 178.84 3heg h SER 154 N 0.18 0.00 -0.69 -2.05 4.64 -1.96 -2.87 113.55 110.80 3heg h SER 154 Ca 0.13 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.31 3heg h SER 154 Cb 0.28 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.29 3heg h SER 154 CO -0.02 0.00 0.18 0.59 -0.87 0.00 0.00 176.83 176.71 3heg n ASN 155 N -2.33 5.21 -3.79 4.97 5.03 0.03 -4.88 115.26 119.49 3heg n ASN 155 Ca 0.02 -3.13 -0.23 0.00 0.87 0.00 0.00 54.58 52.11 3heg n ASN 155 Cb 0.23 -0.73 -0.17 0.00 -1.02 0.00 0.00 39.78 38.09 3heg n ASN 155 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3heg s LEU 156 N -2.92 0.70 -0.12 3.41 1.43 -1.12 -1.79 118.68 118.27 3heg s LEU 156 Ca 0.55 -0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 3heg s LEU 156 Cb 0.44 -0.49 -0.05 0.00 0.03 0.00 0.00 46.19 46.12 3heg s LEU 156 CO 0.15 -0.18 0.25 0.00 0.23 0.00 0.00 176.35 176.79 3heg s ALA 157 N 1.88 3.72 -0.07 4.21 0.00 0.03 -0.86 121.76 130.66 3heg s ALA 157 Ca 0.04 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.51 3heg s ALA 157 Cb -0.12 -2.23 0.02 0.00 0.00 0.00 0.00 23.12 20.79 3heg s ALA 157 CO -0.05 0.35 -0.05 0.08 0.00 0.00 0.00 175.76 176.09 3heg s VAL 158 N -0.34 0.70 0.20 0.00 1.01 -0.65 -0.30 120.40 121.02 3heg s VAL 158 Ca 0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 3heg s VAL 158 Cb -0.13 -0.74 0.05 0.00 0.00 0.00 0.00 36.38 35.55 3heg s VAL 158 CO 0.05 0.29 0.28 -0.46 0.00 0.00 0.00 175.10 175.26 3heg n ASN 159 N 4.54 0.12 0.21 3.32 0.23 -0.36 -4.14 115.26 119.18 3heg n ASN 159 Ca -0.17 -1.16 0.08 0.00 -0.53 0.00 0.00 54.58 52.81 3heg n ASN 159 Cb 0.51 -0.20 0.43 0.00 -2.08 0.00 0.00 39.78 38.43 3heg n ASN 159 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3heg h GLU 160 N 0.00 0.00 -0.15 -3.83 4.11 -1.99 -0.73 114.58 111.99 3heg h GLU 160 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.34 3heg h GLU 160 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3heg h GLU 160 CO 0.07 0.28 0.00 -0.25 0.07 0.00 0.00 179.01 179.19 3heg n ASP 161 N -3.51 0.89 -1.52 3.06 9.92 -1.26 -4.90 116.55 119.22 3heg n ASP 161 Ca -0.00 -1.89 -0.19 0.00 -0.53 0.00 0.00 54.79 52.17 3heg n ASP 161 Cb 0.44 -0.10 -0.08 0.00 -0.64 0.00 0.00 41.12 40.74 3heg n ASP 161 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3heg s GLU 163 N -3.72 4.76 -0.00 0.00 2.02 -1.26 -4.77 118.70 115.74 3heg s GLU 163 Ca 0.00 1.40 0.06 0.00 0.02 0.00 0.00 54.97 56.45 3heg s GLU 163 Cb 0.00 -3.22 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 3heg s GLU 163 CO 0.00 0.50 -0.18 -1.17 0.02 0.00 0.00 175.26 174.43 3heg s LEU 164 N -1.29 2.06 0.06 1.80 0.20 -1.26 -1.23 118.68 119.03 3heg s LEU 164 Ca 0.41 -0.37 0.06 0.00 0.69 0.00 0.00 54.13 54.92 3heg s LEU 164 Cb -0.24 -0.92 -0.03 0.00 -0.43 0.00 0.00 46.19 44.57 3heg s LEU 164 CO 0.30 0.20 -0.17 -1.59 -0.29 0.00 0.00 176.35 174.80 3heg s LYS 165 N -0.59 1.02 -0.01 1.98 -2.85 0.59 -4.33 119.74 115.54 3heg s LYS 165 Ca 0.07 -0.91 -0.27 0.00 -1.00 0.00 0.00 55.97 53.86 3heg s LYS 165 Cb -0.07 -1.10 -0.04 0.00 -2.06 0.00 0.00 37.83 34.56 3heg s LYS 165 CO -0.00 0.27 0.85 0.42 0.10 0.00 0.00 175.35 176.98 3heg s ILE 166 N -0.99 4.90 0.22 3.79 1.01 -0.07 -0.79 121.20 129.27 3heg s ILE 166 Ca 0.03 1.78 0.05 0.00 0.00 0.00 0.00 60.65 62.51 3heg s ILE 166 Cb -0.09 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 3heg s ILE 166 CO 0.02 0.22 0.17 0.00 0.00 0.00 0.00 174.94 175.36 3heg n LEU 167 N 3.68 0.00 -3.55 2.97 -0.00 -0.74 -0.59 117.00 118.77 3heg n LEU 167 Ca 0.02 -2.05 -0.19 0.00 -0.00 0.00 0.00 56.01 53.79 3heg n LEU 167 Cb 0.51 1.03 -0.14 0.00 -0.00 0.00 0.00 43.42 44.82 3heg n LEU 167 CO 0.50 -0.34 -0.23 -0.62 -0.00 0.00 0.00 177.39 176.69 3heg s ASP 168 N -2.52 1.43 0.00 1.45 2.15 -1.26 -4.72 116.67 113.19 3heg s ASP 168 Ca 0.24 -0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.05 3heg s ASP 168 Cb 0.01 0.25 0.00 0.00 -0.30 0.00 0.00 42.92 42.88 3heg s ASP 168 CO 0.17 -0.31 0.00 0.49 -0.17 0.00 0.00 175.17 175.35 3heg n PHE 169 N 5.31 0.00 0.00 -5.34 3.72 -1.26 -5.15 117.46 114.74 3heg n PHE 169 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3heg n PHE 169 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 3heg n PHE 169 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3heg n GLY 170 N 1.26 0.81 7.00 1.37 0.00 -1.26 -5.04 105.19 109.33 3heg n GLY 170 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3heg n GLY 170 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3heg n TYR 182 N 0.00 0.00 -3.08 1.61 0.53 -1.26 -5.05 117.16 109.90 3heg n TYR 182 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3heg n TYR 182 Cb 0.00 0.00 -0.00 0.00 -1.03 0.00 0.00 39.34 38.31 3heg n TYR 182 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3heg s VAL 183 N 0.00 -0.91 0.08 -0.72 1.01 -1.26 -5.15 120.40 113.45 3heg s VAL 183 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 3heg s VAL 183 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 36.38 36.33 3heg s VAL 183 CO 0.00 0.00 1.01 0.00 0.00 0.00 0.00 175.10 176.11 3heg s ALA 184 N 1.67 3.25 0.51 5.51 0.00 -1.26 -4.93 121.76 126.51 3heg s ALA 184 Ca 0.18 0.63 0.16 0.00 0.00 0.00 0.00 51.96 52.94 3heg s ALA 184 Cb -0.02 -3.33 1.23 0.00 0.00 0.00 0.00 23.12 21.00 3heg s ALA 184 CO -0.07 -0.16 2.11 1.15 0.00 0.00 0.00 175.76 178.79 3heg h THR 185 N 4.30 0.97 -0.43 0.00 2.02 -1.97 -2.92 112.91 114.88 3heg h THR 185 Ca -0.42 -0.03 -0.08 0.00 0.77 0.00 0.00 66.41 66.65 3heg h THR 185 Cb 1.21 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 3heg h THR 185 CO 0.74 0.01 -0.07 0.08 0.37 0.00 0.00 175.52 176.66 3heg h ARG 186 N 0.07 0.74 -0.28 6.66 0.11 -1.96 -2.60 114.38 117.12 3heg h ARG 186 Ca 0.06 -0.22 0.08 0.00 0.10 0.00 0.00 59.98 60.00 3heg h ARG 186 Cb 0.14 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.14 3heg h ARG 186 CO -0.01 0.80 0.42 -1.49 0.10 0.00 0.00 179.97 179.79 3heg h TRP 187 N 0.68 0.00 -0.07 4.08 6.55 -1.74 -0.99 115.95 124.45 3heg h TRP 187 Ca 0.12 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.96 3heg h TRP 187 Cb 0.52 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.82 3heg h TRP 187 CO 0.03 0.00 0.00 0.66 -1.05 0.00 0.00 178.44 178.08 3heg n TYR 188 N -3.44 0.09 -2.69 0.49 4.02 -0.99 -4.54 117.16 110.10 3heg n TYR 188 Ca 0.04 -0.16 -0.42 0.00 -0.01 0.00 0.00 57.90 57.35 3heg n TYR 188 Cb 0.55 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.83 3heg n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3heg s ARG 189 N -0.71 4.53 0.44 -0.72 1.81 -0.38 -3.68 118.95 120.25 3heg s ARG 189 Ca 0.10 1.44 -0.23 0.00 -1.72 0.00 0.00 55.73 55.32 3heg s ARG 189 Cb 0.06 -3.47 -0.10 0.00 -0.45 0.00 0.00 34.95 30.99 3heg s ARG 189 CO 0.09 -0.10 0.88 0.00 -0.68 0.00 0.00 175.30 175.49 3heg n ALA 190 N 4.07 -0.27 -0.13 2.13 0.00 -1.26 -4.89 120.51 120.17 3heg n ALA 190 Ca 0.07 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3heg n ALA 190 Cb 0.50 -2.00 0.28 0.00 0.00 0.00 0.00 19.45 18.23 3heg n ALA 190 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3heg h PRO 191 N 1.21 0.81 0.00 0.00 0.13 -1.95 -2.29 132.00 129.92 3heg h PRO 191 Ca -0.44 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3heg h PRO 191 Cb 1.36 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3heg h PRO 191 CO 0.55 0.60 0.00 1.05 -0.23 0.00 0.00 178.00 179.97 3heg h GLU 192 N 0.81 0.00 0.03 0.86 9.09 -1.91 -1.96 114.58 121.50 3heg h GLU 192 Ca 0.21 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.33 3heg h GLU 192 Cb 0.04 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.10 3heg h GLU 192 CO -0.03 0.00 -1.61 0.82 0.05 0.00 0.00 179.01 178.24 3heg h ILE 193 N 0.00 1.00 0.00 -1.06 2.04 -1.77 -3.34 117.51 114.37 3heg h ILE 193 Ca 0.00 -2.79 0.00 0.00 1.00 0.00 0.00 64.86 63.07 3heg h ILE 193 Cb 0.05 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 3heg h ILE 193 CO 0.00 0.65 -0.46 0.24 0.00 0.00 0.00 178.15 178.58 3heg h MET 194 N 0.02 0.00 0.00 2.37 2.86 -1.40 -3.40 114.93 115.37 3heg h MET 194 Ca -0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 3heg h MET 194 Cb 1.98 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.64 3heg h MET 194 CO 0.10 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.35 3heg n LEU 195 N -2.63 0.00 -4.38 1.22 4.77 -1.14 -5.01 117.00 109.83 3heg n LEU 195 Ca 0.03 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.69 3heg n LEU 195 Cb 0.50 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.45 3heg n LEU 195 CO 0.36 -0.08 -0.53 0.21 -1.33 0.00 0.00 177.39 176.02 3heg s ASN 196 N -1.25 3.42 0.00 -1.43 3.04 -1.26 -5.00 114.94 112.46 3heg s ASN 196 Ca 0.00 -0.40 0.00 0.00 0.04 0.00 0.00 52.86 52.50 3heg s ASN 196 Cb 0.00 -0.51 0.00 0.00 -1.54 0.00 0.00 41.25 39.20 3heg s ASN 196 CO 0.00 0.32 0.00 1.87 -3.04 0.00 0.00 177.10 176.25 3heg n TRP 197 N 2.26 0.00 -0.02 0.43 -0.00 -1.25 -4.97 117.44 113.88 3heg n TRP 197 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.34 3heg n TRP 197 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.83 3heg n TRP 197 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.69 176.36 3heg n MET 198 N -0.44 0.92 -1.09 5.87 0.00 -1.26 -5.04 117.12 116.07 3heg n MET 198 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3heg n MET 198 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 3heg n MET 198 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 3heg n HIS 199 N -0.62 0.00 -2.17 2.03 8.25 -1.26 -5.09 115.22 116.37 3heg n HIS 199 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 3heg n HIS 199 Cb 0.00 -0.75 -0.03 0.00 1.12 0.00 0.00 29.99 30.33 3heg n HIS 199 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3heg s TYR 200 N -2.22 3.18 0.47 4.41 2.02 -1.26 -5.08 117.35 118.89 3heg s TYR 200 Ca 0.00 1.22 0.08 0.00 -0.37 0.00 0.00 57.07 58.01 3heg s TYR 200 Cb 0.00 -3.65 0.03 0.00 -0.40 0.00 0.00 41.96 37.94 3heg s TYR 200 CO 0.00 -2.01 0.60 0.54 -1.57 0.00 0.00 175.55 173.12 3heg s ASN 201 N 0.18 5.34 0.53 2.29 4.22 -1.26 -5.03 114.94 121.21 3heg s ASN 201 Ca 0.56 -0.65 0.20 0.00 -2.14 0.00 0.00 52.86 50.83 3heg s ASN 201 Cb -0.38 -0.29 1.39 0.00 1.28 0.00 0.00 41.25 43.25 3heg s ASN 201 CO 0.42 -0.95 2.15 1.56 -2.04 0.00 0.00 177.10 178.24 3heg h GLN 202 N 0.55 0.00 0.00 3.55 4.20 -1.96 -2.99 115.11 118.47 3heg h GLN 202 Ca -0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.34 3heg h GLN 202 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 3heg h GLN 202 CO 0.46 0.04 0.00 0.25 -0.67 0.00 0.00 178.83 178.91 3heg n THR 203 N -4.26 0.00 0.27 -0.54 -2.24 -1.26 -1.50 114.28 104.75 3heg n THR 203 Ca -0.03 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.86 3heg n THR 203 Cb 0.12 -0.15 0.73 0.00 -2.10 0.00 0.00 70.33 68.93 3heg n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3heg h VAL 204 N 0.00 0.83 0.21 2.28 -1.51 -1.89 -2.85 116.25 113.31 3heg h VAL 204 Ca 0.00 -0.08 -0.32 0.00 -1.23 0.00 0.00 66.70 65.07 3heg h VAL 204 Cb 0.00 1.05 0.02 0.00 -2.13 0.00 0.00 31.29 30.23 3heg h VAL 204 CO 0.00 0.02 -1.41 0.44 -1.23 0.00 0.00 177.57 175.39 3heg h ASP 205 N 0.00 0.68 -0.93 4.19 3.45 -1.54 -3.19 116.42 119.08 3heg h ASP 205 Ca -0.00 -0.74 0.08 0.00 0.43 0.00 0.00 57.03 56.80 3heg h ASP 205 Cb 0.05 -0.22 -0.07 0.00 -0.56 0.00 0.00 39.33 38.53 3heg h ASP 205 CO 0.00 1.58 0.58 0.40 -1.57 0.00 0.00 179.24 180.24 3heg h ILE 206 N 0.12 1.02 -0.54 0.35 1.08 -1.70 -1.91 117.51 115.93 3heg h ILE 206 Ca -0.22 -0.35 0.10 0.00 -0.39 0.00 0.00 64.86 64.00 3heg h ILE 206 Cb 2.10 -0.09 -0.08 0.00 -3.07 0.00 0.00 36.82 35.68 3heg h ILE 206 CO 0.24 0.19 0.08 -0.25 -0.69 0.00 0.00 178.15 177.72 3heg h TRP 207 N 1.02 0.12 0.30 1.37 2.91 -1.53 0.12 115.95 120.26 3heg h TRP 207 Ca 0.42 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.46 3heg h TRP 207 Cb 0.25 0.03 0.00 0.00 -0.51 0.00 0.00 29.16 28.93 3heg h TRP 207 CO -0.02 -0.05 -0.14 0.77 -1.03 0.00 0.00 178.44 177.97 3heg h SER 208 N 0.21 -0.34 -0.67 2.65 0.02 -1.48 -0.24 113.55 113.70 3heg h SER 208 Ca 0.28 -0.03 0.14 0.00 -0.84 0.00 0.00 61.79 61.34 3heg h SER 208 Cb 0.40 0.09 -0.11 0.00 0.14 0.00 0.00 62.40 62.91 3heg h SER 208 CO -0.38 -0.19 0.01 0.58 -1.14 0.00 0.00 176.83 175.70 3heg h VAL 209 N -0.45 0.44 -0.47 2.27 2.07 -1.17 0.12 116.25 119.06 3heg h VAL 209 Ca -0.04 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.53 3heg h VAL 209 Cb 0.34 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 3heg h VAL 209 CO 0.07 0.02 -0.00 1.23 0.02 0.00 0.00 177.57 178.90 3heg h GLY 210 N 0.12 0.48 1.03 2.17 0.00 -0.49 0.41 103.07 106.78 3heg h GLY 210 Ca 0.36 0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.70 3heg h GLY 210 CO -0.58 -0.13 0.24 0.00 0.00 0.00 0.00 176.54 176.07 3heg h ILE 212 N 0.99 1.26 -0.13 0.00 2.04 -0.47 -2.86 117.51 118.33 3heg h ILE 212 Ca 0.22 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.31 3heg h ILE 212 Cb 0.26 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 3heg h ILE 212 CO -0.01 0.22 -0.08 -0.03 0.00 0.00 0.00 178.15 178.25 3heg h MET 213 N -0.19 -0.07 -0.45 2.37 4.05 -0.04 -0.19 114.93 120.41 3heg h MET 213 Ca 0.02 0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.53 3heg h MET 213 Cb 0.35 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 31.08 3heg h MET 213 CO 0.00 -0.05 -0.10 0.00 0.23 0.00 0.00 176.91 177.00 3heg h ALA 214 N 1.04 0.32 -0.93 0.39 0.00 -1.36 -2.10 119.26 116.62 3heg h ALA 214 Ca 0.08 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.22 3heg h ALA 214 Cb 0.19 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3heg h ALA 214 CO -0.18 -0.44 0.60 1.49 0.00 0.00 0.00 179.25 180.72 3heg h GLU 215 N 0.01 1.03 -0.31 0.00 4.81 -1.19 0.17 114.58 119.11 3heg h GLU 215 Ca 0.22 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3heg h GLU 215 Cb 0.33 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3heg h GLU 215 CO -0.46 0.68 0.03 -0.07 -0.73 0.00 0.00 179.01 178.46 3heg h LEU 216 N 1.06 0.42 0.07 1.64 3.38 -0.63 -0.12 115.31 121.14 3heg h LEU 216 Ca 0.40 -0.07 -0.28 0.00 0.09 0.00 0.00 57.88 58.02 3heg h LEU 216 Cb 0.19 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 40.85 3heg h LEU 216 CO -0.15 0.47 -1.21 -0.07 0.09 0.00 0.00 178.44 177.57 3heg h LEU 217 N 0.45 0.67 0.00 1.67 3.38 -0.64 -3.37 115.31 117.48 3heg h LEU 217 Ca 0.10 -0.64 -0.19 0.00 0.09 0.00 0.00 57.88 57.24 3heg h LEU 217 Cb 0.26 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3heg h LEU 217 CO 0.00 1.47 -2.07 0.41 0.09 0.00 0.00 178.44 178.35 3heg n THR 218 N -3.70 0.82 -0.98 0.22 -1.04 -0.04 -4.96 114.28 104.60 3heg n THR 218 Ca -0.11 -0.69 0.00 0.00 -2.04 0.00 0.00 64.05 61.21 3heg n THR 218 Cb 0.98 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 69.16 3heg n THR 218 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3heg n GLY 219 N 1.50 0.57 3.07 3.41 0.00 -0.06 -5.02 105.19 108.66 3heg n GLY 219 Ca -0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 3heg n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3heg s ARG 220 N -0.23 0.60 0.05 1.61 0.52 -1.22 -5.03 118.95 115.25 3heg s ARG 220 Ca 0.00 -0.72 -0.33 0.00 -0.52 0.00 0.00 55.73 54.16 3heg s ARG 220 Cb 0.00 -0.45 -0.12 0.00 0.52 0.00 0.00 34.95 34.90 3heg s ARG 220 CO 0.00 0.09 1.76 2.41 0.02 0.00 0.00 175.30 179.59 3heg n THR 221 N 1.65 0.33 -0.19 0.02 -1.04 -1.26 -3.97 114.28 109.81 3heg n THR 221 Ca -0.21 -0.06 -0.09 0.00 -2.04 0.00 0.00 64.05 61.66 3heg n THR 221 Cb 0.55 -1.81 0.04 0.00 -1.82 0.00 0.00 70.33 67.29 3heg n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3heg h LEU 222 N 7.90 1.02 -6.17 -4.42 5.85 -1.91 -3.38 115.31 114.19 3heg h LEU 222 Ca -0.47 -0.30 -0.57 0.00 0.84 0.00 0.00 57.88 57.38 3heg h LEU 222 Cb 1.25 -0.27 -0.39 0.00 0.37 0.00 0.00 40.66 41.62 3heg h LEU 222 CO 0.93 1.08 -1.02 0.49 -0.34 0.00 0.00 178.44 179.58 3heg n PHE 223 N -4.17 -0.24 -0.73 1.25 0.99 -1.26 -5.01 117.46 108.30 3heg n PHE 223 Ca 0.03 -3.53 -0.06 0.00 -0.00 0.00 0.00 57.45 53.89 3heg n PHE 223 Cb 0.36 -0.16 -0.05 0.00 -1.00 0.00 0.00 39.48 38.63 3heg n PHE 223 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3heg n PRO 224 N 1.89 1.43 -1.10 -1.08 -0.04 -1.26 -4.51 135.00 130.33 3heg n PRO 224 Ca 0.25 -0.52 -0.36 0.00 -0.04 0.00 0.00 63.50 62.82 3heg n PRO 224 Cb 0.50 -1.41 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 3heg n PRO 224 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3heg n GLY 225 N 1.70 -2.08 0.13 0.55 0.00 -1.26 -4.91 105.19 99.33 3heg n GLY 225 Ca 0.18 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.32 3heg n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3heg h THR 226 N 0.40 0.29 -2.30 2.61 1.03 -1.92 -3.46 112.91 109.56 3heg h THR 226 Ca -0.29 -1.50 0.02 0.00 -0.01 0.00 0.00 66.41 64.64 3heg h THR 226 Cb 1.20 1.89 -0.00 0.00 -1.07 0.00 0.00 68.15 70.17 3heg h THR 226 CO 0.41 0.17 0.20 -0.90 -0.01 0.00 0.00 175.52 175.38 3heg n ASP 227 N -2.90 -0.99 0.25 0.00 5.68 -1.26 -5.03 116.55 112.29 3heg n ASP 227 Ca -0.02 -1.63 0.07 0.00 -0.50 0.00 0.00 54.79 52.71 3heg n ASP 227 Cb 0.66 1.64 0.59 0.00 -1.14 0.00 0.00 41.12 42.88 3heg n ASP 227 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3heg h HIS 228 N 1.48 0.00 0.10 2.11 3.86 -1.96 0.78 115.15 121.52 3heg h HIS 228 Ca -0.15 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.06 3heg h HIS 228 Cb 0.59 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.06 3heg h HIS 228 CO 0.00 0.07 -0.05 0.82 0.86 0.00 0.00 177.93 179.63 3heg h ILE 229 N 0.00 0.89 -0.15 2.45 2.04 -1.97 -2.89 117.51 117.89 3heg h ILE 229 Ca 0.00 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.50 3heg h ILE 229 Cb 0.12 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3heg h ILE 229 CO 0.01 0.26 0.09 -0.78 0.00 0.00 0.00 178.15 177.73 3heg h ASP 230 N -0.92 0.18 -0.04 1.72 1.82 -1.95 -1.23 116.42 116.00 3heg h ASP 230 Ca -0.01 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 3heg h ASP 230 Cb 0.53 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.50 3heg h ASP 230 CO 0.02 0.14 0.03 -0.61 -1.61 0.00 0.00 179.24 177.21 3heg h GLN 231 N 0.21 0.05 0.00 0.28 5.75 -0.91 -2.30 115.11 118.19 3heg h GLN 231 Ca 0.05 -0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.43 3heg h GLN 231 Cb -0.00 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 3heg h GLN 231 CO -0.01 0.03 -0.58 1.25 -2.65 0.00 0.00 178.83 176.87 3heg h LEU 232 N 0.05 0.00 -0.06 -2.39 7.12 -1.11 -1.92 115.31 117.01 3heg h LEU 232 Ca 0.01 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.02 3heg h LEU 232 Cb -0.01 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.12 3heg h LEU 232 CO -0.00 0.58 0.03 0.11 -0.13 0.00 0.00 178.44 179.03 3heg h LYS 233 N 0.00 0.08 -0.77 1.25 1.57 -1.17 -2.18 116.57 115.34 3heg h LYS 233 Ca -0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3heg h LYS 233 Cb 1.20 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 3heg h LYS 233 CO 0.08 0.12 0.47 -0.07 -0.57 0.00 0.00 179.45 179.47 3heg h LEU 234 N 0.02 0.92 -0.70 2.94 3.38 -1.12 -2.61 115.31 118.14 3heg h LEU 234 Ca 0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3heg h LEU 234 Cb 0.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3heg h LEU 234 CO -0.00 0.71 0.43 0.40 0.09 0.00 0.00 178.44 180.07 3heg h ILE 235 N 1.05 1.19 -0.63 1.22 2.04 -1.24 -3.19 117.51 117.97 3heg h ILE 235 Ca 0.28 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 3heg h ILE 235 Cb -0.05 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 3heg h ILE 235 CO -0.05 0.20 0.14 -0.07 0.00 0.00 0.00 178.15 178.36 3heg h LEU 236 N 0.95 0.96 -0.76 1.44 3.38 -1.01 -2.95 115.31 117.33 3heg h LEU 236 Ca 0.25 -0.24 0.15 0.00 0.09 0.00 0.00 57.88 58.13 3heg h LEU 236 Cb -0.05 -0.25 -0.14 0.00 0.09 0.00 0.00 40.66 40.30 3heg h LEU 236 CO -0.05 0.96 -0.23 0.03 0.09 0.00 0.00 178.44 179.24 3heg h ARG 237 N 0.93 -0.03 0.02 1.13 3.08 -1.50 0.48 114.38 118.49 3heg h ARG 237 Ca 0.20 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 3heg h ARG 237 Cb 0.38 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.44 3heg h ARG 237 CO 0.00 -0.02 -0.21 1.25 -1.07 0.00 0.00 179.97 179.92 3heg h LEU 238 N -0.03 0.15 0.00 3.04 5.85 -1.61 -3.37 115.31 119.34 3heg h LEU 238 Ca 0.35 -0.89 0.00 0.00 0.84 0.00 0.00 57.88 58.18 3heg h LEU 238 Cb 0.57 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3heg h LEU 238 CO -0.79 1.02 -1.06 1.33 -0.34 0.00 0.00 178.44 178.60 3heg n VAL 239 N -4.51 0.17 0.00 1.05 0.24 -1.13 -0.77 118.33 113.38 3heg n VAL 239 Ca -0.10 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 3heg n VAL 239 Cb 0.53 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 3heg n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3heg n GLY 240 N 1.36 0.83 3.87 7.63 0.00 0.17 -4.25 105.19 114.80 3heg n GLY 240 Ca 0.02 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.66 3heg n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3heg s THR 241 N -1.43 4.81 0.60 2.61 -4.23 -1.05 -4.54 115.64 112.41 3heg s THR 241 Ca 0.00 0.60 -0.19 0.00 -1.18 0.00 0.00 61.69 60.92 3heg s THR 241 Cb 0.00 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.11 3heg s THR 241 CO 0.00 -0.40 1.27 -2.16 -0.54 0.00 0.00 174.62 172.79 3heg s PRO 242 N -3.57 2.85 0.83 3.99 0.04 -1.26 -4.83 135.00 133.05 3heg s PRO 242 Ca 0.51 2.00 -0.09 0.00 0.04 0.00 0.00 61.00 63.46 3heg s PRO 242 Cb -0.10 -1.97 0.15 0.00 0.04 0.00 0.00 34.50 32.62 3heg s PRO 242 CO 0.28 -1.35 1.15 0.20 0.04 0.00 0.00 177.00 177.32 3heg s GLY 243 N -1.39 1.75 0.45 0.56 0.00 -1.26 -4.87 107.32 102.57 3heg s GLY 243 Ca 0.78 -1.33 0.13 0.00 0.00 0.00 0.00 44.72 44.30 3heg s GLY 243 CO 0.38 -0.70 2.03 0.00 0.00 0.00 0.00 173.10 174.82 3heg h ALA 244 N -1.06 1.75 0.00 3.20 0.00 -1.97 -0.91 119.26 120.26 3heg h ALA 244 Ca -0.42 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 3heg h ALA 244 Cb 1.26 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3heg h ALA 244 CO 0.43 0.19 -0.23 1.49 0.00 0.00 0.00 179.25 181.13 3heg h GLU 245 N 0.14 0.00 0.04 0.00 4.22 -2.00 -0.51 114.58 116.46 3heg h GLU 245 Ca 0.03 0.00 -0.30 0.00 0.08 0.00 0.00 59.36 59.17 3heg h GLU 245 Cb 0.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3heg h GLU 245 CO 0.01 0.23 -1.69 1.25 -2.18 0.00 0.00 179.01 176.62 3heg h LEU 246 N 0.00 0.12 -1.63 1.64 6.46 -1.81 -3.34 115.31 116.76 3heg h LEU 246 Ca -0.00 -0.24 -0.04 0.00 -0.12 0.00 0.00 57.88 57.47 3heg h LEU 246 Cb 0.63 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 3heg h LEU 246 CO 0.03 1.21 -0.20 -0.07 -0.62 0.00 0.00 178.44 178.79 3heg h LEU 247 N 0.02 0.00 -1.27 2.25 3.38 -0.78 -2.08 115.31 116.83 3heg h LEU 247 Ca -0.29 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.80 3heg h LEU 247 Cb 2.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.68 3heg h LEU 247 CO 0.09 0.20 0.56 0.11 0.09 0.00 0.00 178.44 179.50 3heg h LYS 248 N 0.00 0.74 -0.01 1.13 1.57 -1.23 -3.02 116.57 115.76 3heg h LYS 248 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3heg h LYS 248 Cb 0.45 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3heg h LYS 248 CO 0.03 0.49 -0.24 1.63 -0.57 0.00 0.00 179.45 180.79 3heg n LYS 249 N -4.54 0.84 -3.00 3.15 5.02 -0.78 -4.83 118.16 114.01 3heg n LYS 249 Ca 0.16 -0.48 -0.42 0.00 -2.02 0.00 0.00 58.31 55.55 3heg n LYS 249 Cb 0.39 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 3heg n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3heg s ILE 250 N -2.49 4.82 -0.08 -0.18 1.01 -1.14 -4.95 121.20 118.18 3heg s ILE 250 Ca 0.25 0.96 -0.16 0.00 0.00 0.00 0.00 60.65 61.70 3heg s ILE 250 Cb 0.19 -4.12 -0.12 0.00 0.01 0.00 0.00 42.46 38.42 3heg s ILE 250 CO 0.51 -0.29 0.58 -1.28 0.00 0.00 0.00 174.94 174.47 3heg h SER 251 N 8.28 -0.14 -3.50 3.58 0.87 -1.89 -3.47 113.55 117.28 3heg h SER 251 Ca -0.25 -0.33 -0.53 0.00 -1.23 0.00 0.00 61.79 59.45 3heg h SER 251 Cb 1.10 0.04 0.08 0.00 -0.44 0.00 0.00 62.40 63.18 3heg h SER 251 CO 0.87 0.47 0.83 -0.55 -0.53 0.00 0.00 176.83 177.91 3heg s SER 252 N -5.56 6.43 0.35 6.23 0.15 -1.26 -4.92 113.70 115.13 3heg s SER 252 Ca -0.10 2.92 0.04 0.00 0.70 0.00 0.00 55.95 59.51 3heg s SER 252 Cb -0.00 -2.64 0.68 0.00 -1.71 0.00 0.00 66.02 62.35 3heg s SER 252 CO 0.35 -0.85 1.98 -0.08 1.20 0.00 0.00 173.24 175.84 3heg h GLU 253 N 4.39 0.80 -0.90 5.44 4.57 -1.99 -2.33 114.58 124.55 3heg h GLU 253 Ca -0.48 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3heg h GLU 253 Cb 1.22 -0.18 -0.20 0.00 -0.16 0.00 0.00 28.75 29.44 3heg h GLU 253 CO 0.75 0.53 -0.38 0.45 -1.18 0.00 0.00 179.01 179.18 3heg s SER 254 N -6.30 -1.43 0.00 1.04 0.15 -1.26 -2.04 113.70 103.86 3heg s SER 254 Ca -0.10 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.23 3heg s SER 254 Cb 0.19 1.85 0.00 0.00 -1.71 0.00 0.00 66.02 66.35 3heg s SER 254 CO 0.77 -0.20 0.00 0.00 1.20 0.00 0.00 173.24 175.01 3heg n ALA 255 N 4.79 0.00 0.18 5.45 0.00 -1.26 -4.81 120.51 124.86 3heg n ALA 255 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.55 3heg n ALA 255 Cb 0.56 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.41 3heg n ALA 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3heg h ARG 256 N 0.00 0.05 -0.90 0.00 3.08 -1.26 -2.62 114.38 112.72 3heg h ARG 256 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3heg h ARG 256 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3heg h ARG 256 CO 0.00 0.33 0.00 0.09 -1.07 0.00 0.00 179.97 179.32 3heg n ASN 257 N -4.18 1.06 -0.07 7.04 5.03 -0.87 -2.00 115.26 121.26 3heg n ASN 257 Ca -0.02 -2.03 -0.16 0.00 0.87 0.00 0.00 54.58 53.25 3heg n ASN 257 Cb 0.35 -0.46 -0.05 0.00 -1.02 0.00 0.00 39.78 38.59 3heg n ASN 257 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3heg n TYR 258 N -0.02 0.00 -0.10 3.10 4.02 -0.99 -4.33 117.16 118.84 3heg n TYR 258 Ca 0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.76 3heg n TYR 258 Cb 0.26 -0.55 -0.04 0.00 -0.02 0.00 0.00 39.34 39.00 3heg n TYR 258 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3heg h ILE 259 N -0.61 1.28 0.00 -0.72 2.04 -1.57 -1.71 117.51 116.22 3heg h ILE 259 Ca -0.34 -1.60 -0.04 0.00 1.00 0.00 0.00 64.86 63.88 3heg h ILE 259 Cb 1.22 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 3heg h ILE 259 CO -0.21 0.52 -0.87 1.56 0.00 0.00 0.00 178.15 179.16 3heg h GLN 260 N 0.64 0.00 -0.00 2.37 4.20 -1.71 -3.20 115.11 117.41 3heg h GLN 260 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3heg h GLN 260 Cb 1.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.79 3heg h GLN 260 CO 0.10 0.09 -0.01 0.43 -0.67 0.00 0.00 178.83 178.77 3heg n SER 261 N -2.83 0.04 -4.42 1.46 7.64 -1.16 -4.66 113.62 109.69 3heg n SER 261 Ca -0.01 -0.31 -0.36 0.00 1.01 0.00 0.00 58.87 59.20 3heg n SER 261 Cb 0.61 -0.22 -0.13 0.00 -1.01 0.00 0.00 64.21 63.46 3heg n SER 261 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3heg s LEU 262 N -2.47 3.32 -0.03 -3.43 1.02 -0.65 -4.99 118.68 111.44 3heg s LEU 262 Ca 0.32 -0.24 -0.13 0.00 0.02 0.00 0.00 54.13 54.09 3heg s LEU 262 Cb 0.21 -1.88 -0.06 0.00 0.02 0.00 0.00 46.19 44.47 3heg s LEU 262 CO 0.45 -0.02 0.38 0.41 0.02 0.00 0.00 176.35 177.59 3heg n THR 263 N 4.81 0.00 -1.67 5.49 -1.04 -1.26 -4.79 114.28 115.82 3heg n THR 263 Ca -0.17 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.38 3heg n THR 263 Cb 0.51 -0.03 -0.04 0.00 -1.82 0.00 0.00 70.33 68.95 3heg n THR 263 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3heg n GLN 264 N 0.64 2.12 -4.99 -2.82 7.27 -1.26 -4.91 117.38 113.43 3heg n GLN 264 Ca 0.07 0.76 -0.32 0.00 0.07 0.00 0.00 57.00 57.58 3heg n GLN 264 Cb 0.02 -2.52 -0.15 0.00 2.41 0.00 0.00 30.24 30.00 3heg n GLN 264 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 3heg s MET 265 N 0.73 2.75 0.37 3.69 -1.94 -1.26 -4.96 119.30 118.68 3heg s MET 265 Ca 0.77 -0.77 -0.27 0.00 -1.71 0.00 0.00 55.69 53.72 3heg s MET 265 Cb -0.68 -2.37 -0.09 0.00 2.01 0.00 0.00 34.83 33.70 3heg s MET 265 CO 0.40 0.43 1.19 -2.14 -0.01 0.00 0.00 175.02 174.89 3heg s PRO 266 N -0.25 4.19 -0.30 2.03 0.02 -1.26 -2.52 135.00 136.92 3heg s PRO 266 Ca 0.00 1.93 -0.29 0.00 0.02 0.00 0.00 61.00 62.66 3heg s PRO 266 Cb -0.13 -2.83 -0.01 0.00 0.02 0.00 0.00 34.50 31.55 3heg s PRO 266 CO 0.03 -0.22 1.56 0.21 -0.33 0.00 0.00 177.00 178.24 3heg s LYS 267 N -2.07 3.66 0.91 5.54 2.20 -1.26 -4.03 119.74 124.69 3heg s LYS 267 Ca 0.54 1.37 -0.10 0.00 -0.36 0.00 0.00 55.97 57.42 3heg s LYS 267 Cb -0.33 -4.04 0.14 0.00 -1.51 0.00 0.00 37.83 32.09 3heg s LYS 267 CO 0.42 -1.45 1.13 -1.64 -0.36 0.00 0.00 175.35 173.45 3heg s MET 268 N 4.87 1.07 -0.32 4.03 -1.94 0.05 -4.93 119.30 122.13 3heg s MET 268 Ca 0.68 1.46 -0.29 0.00 -1.71 0.00 0.00 55.69 55.83 3heg s MET 268 Cb -0.20 -1.74 0.01 0.00 2.01 0.00 0.00 34.83 34.91 3heg s MET 268 CO 0.30 -2.57 1.13 1.21 -0.01 0.00 0.00 175.02 175.08 3heg s ASN 269 N -2.76 6.87 0.14 3.03 3.84 -1.26 -4.93 114.94 119.87 3heg s ASN 269 Ca 0.66 1.08 -0.14 0.00 0.21 0.00 0.00 52.86 54.67 3heg s ASN 269 Cb -0.22 -2.54 0.02 0.00 -0.55 0.00 0.00 41.25 37.95 3heg s ASN 269 CO 0.58 -0.93 1.65 -0.26 -2.79 0.00 0.00 177.10 175.35 3heg h PHE 270 N 8.37 0.78 -1.02 0.43 0.05 -1.93 -2.32 116.94 121.29 3heg h PHE 270 Ca -0.22 -0.09 0.26 0.00 3.82 0.00 0.00 57.97 61.74 3heg h PHE 270 Cb 1.07 -0.22 -0.12 0.00 2.00 0.00 0.00 35.95 38.67 3heg h PHE 270 CO 0.85 0.71 0.61 0.00 -0.18 0.00 0.00 178.31 180.29 3heg h ALA 271 N 0.98 1.90 -0.26 2.45 0.00 -1.91 0.42 119.26 122.84 3heg h ALA 271 Ca 0.15 0.12 -0.18 0.00 0.00 0.00 0.00 54.91 55.00 3heg h ALA 271 Cb 0.31 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3heg h ALA 271 CO 0.00 -0.38 -0.56 -0.91 0.00 0.00 0.00 179.25 177.40 3heg h ASN 272 N 0.51 0.88 0.19 0.00 4.21 -1.76 -3.23 115.58 116.38 3heg h ASN 272 Ca 0.65 -0.47 -0.25 0.00 1.21 0.00 0.00 56.30 57.44 3heg h ASN 272 Cb 1.35 -0.25 0.01 0.00 -1.12 0.00 0.00 38.32 38.31 3heg h ASN 272 CO -0.46 1.25 -1.02 0.58 -1.29 0.00 0.00 177.43 176.49 3heg h VAL 273 N 0.60 1.34 -1.97 2.81 2.07 -0.27 -3.26 116.25 117.58 3heg h VAL 273 Ca 0.01 -2.38 -0.75 0.00 0.82 0.00 0.00 66.70 64.40 3heg h VAL 273 Cb 1.15 2.44 -0.29 0.00 -1.52 0.00 0.00 31.29 33.06 3heg h VAL 273 CO 0.12 0.72 0.82 0.49 0.02 0.00 0.00 177.57 179.74 3heg n PHE 274 N -3.79 3.03 -1.88 1.57 3.01 0.12 -5.02 117.46 114.51 3heg n PHE 274 Ca -0.09 -2.47 0.00 0.00 1.01 0.00 0.00 57.45 55.90 3heg n PHE 274 Cb 0.87 -1.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.30 3heg n PHE 274 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28 3heg n ILE 275 N -0.48 0.00 -2.80 4.37 3.06 -1.22 -2.05 119.36 120.23 3heg n ILE 275 Ca 0.51 0.00 -0.39 0.00 -2.50 0.00 0.00 62.75 60.37 3heg n ILE 275 Cb 0.29 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.47 3heg n ILE 275 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3heg n GLY 276 N 0.00 5.80 3.87 4.50 0.00 -1.26 -4.76 105.19 113.34 3heg n GLY 276 Ca 0.00 -2.64 -0.30 0.00 0.00 0.00 0.00 46.02 43.08 3heg n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3heg s ALA 277 N -3.80 2.75 0.06 4.61 0.00 -0.87 -5.00 121.76 119.52 3heg s ALA 277 Ca 0.39 -0.36 -0.34 0.00 0.00 0.00 0.00 51.96 51.65 3heg s ALA 277 Cb 0.17 -3.03 -0.13 0.00 0.00 0.00 0.00 23.12 20.13 3heg s ALA 277 CO -0.07 -1.30 1.68 -1.71 0.00 0.00 0.00 175.76 174.35 3heg n ASN 278 N -3.12 3.15 -0.04 0.00 2.85 -1.26 -4.86 115.26 111.98 3heg n ASN 278 Ca 0.07 1.04 0.24 0.00 -0.11 0.00 0.00 54.58 55.82 3heg n ASN 278 Cb 0.57 -1.39 0.72 0.00 1.24 0.00 0.00 39.78 40.92 3heg n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3heg h PRO 279 N 7.08 0.00 0.00 1.20 0.11 -1.94 -0.87 132.00 137.57 3heg h PRO 279 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3heg h PRO 279 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3heg h PRO 279 CO 0.91 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.63 3heg h LEU 280 N 0.00 0.00 0.00 2.35 3.38 -1.99 -1.37 115.31 117.68 3heg h LEU 280 Ca 0.31 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.13 3heg h LEU 280 Cb 1.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 3heg h LEU 280 CO -0.00 0.00 -0.98 0.00 0.09 0.00 0.00 178.44 177.55 3heg h ALA 281 N 2.10 0.64 -0.08 1.53 0.00 -1.55 -2.75 119.26 119.13 3heg h ALA 281 Ca 0.00 -0.68 -0.23 0.00 0.00 0.00 0.00 54.91 54.00 3heg h ALA 281 Cb 0.80 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.69 3heg h ALA 281 CO 0.00 0.82 -0.85 0.28 0.00 0.00 0.00 179.25 179.51 3heg h VAL 282 N 0.00 1.29 0.64 0.00 2.07 -1.18 -2.35 116.25 116.72 3heg h VAL 282 Ca -0.08 -2.06 -0.03 0.00 0.82 0.00 0.00 66.70 65.35 3heg h VAL 282 Cb 1.52 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 33.46 3heg h VAL 282 CO 0.06 0.64 -0.40 -0.78 0.02 0.00 0.00 177.57 177.11 3heg h ASP 283 N 0.42 -1.02 -0.84 0.57 3.58 -1.29 -2.24 116.42 115.60 3heg h ASP 283 Ca -0.08 0.06 0.18 0.00 0.42 0.00 0.00 57.03 57.61 3heg h ASP 283 Cb 1.49 0.30 -0.11 0.00 1.72 0.00 0.00 39.33 42.73 3heg h ASP 283 CO 0.17 -0.61 0.35 0.25 -2.88 0.00 0.00 179.24 176.52 3heg h LEU 284 N -0.98 0.31 0.38 2.28 5.85 -1.58 -1.69 115.31 119.88 3heg h LEU 284 Ca -0.09 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3heg h LEU 284 Cb 0.79 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 3heg h LEU 284 CO 0.08 0.05 -0.43 -0.07 -0.34 0.00 0.00 178.44 177.74 3heg h LEU 285 N 0.43 -1.17 -0.85 2.25 3.38 -1.24 -2.03 115.31 116.08 3heg h LEU 285 Ca 0.50 0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.71 3heg h LEU 285 Cb 0.86 0.40 -0.14 0.00 0.09 0.00 0.00 40.66 41.87 3heg h LEU 285 CO -0.48 -0.56 -0.31 -0.62 0.09 0.00 0.00 178.44 176.56 3heg n GLU 286 N -5.51 -0.18 0.00 1.13 1.02 -0.69 0.16 120.64 116.58 3heg n GLU 286 Ca -0.10 1.31 0.08 0.00 -0.02 0.00 0.00 57.16 58.42 3heg n GLU 286 Cb 0.41 -1.94 0.38 0.00 -0.02 0.00 0.00 31.44 30.27 3heg n GLU 286 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3heg n LYS 287 N -5.27 0.20 -0.07 3.49 5.02 -0.81 -3.51 118.16 117.20 3heg n LYS 287 Ca 0.09 0.15 -0.11 0.00 -2.02 0.00 0.00 58.31 56.43 3heg n LYS 287 Cb 0.35 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 3heg n LYS 287 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3heg n MET 288 N -1.31 0.34 -1.89 1.97 2.81 0.12 -1.57 117.12 117.60 3heg n MET 288 Ca 0.07 0.09 -0.36 0.00 -1.81 0.00 0.00 57.70 55.70 3heg n MET 288 Cb 0.13 -1.22 -0.00 0.00 -0.71 0.00 0.00 33.22 31.41 3heg n MET 288 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3heg n LEU 289 N -3.06 7.21 -4.71 4.03 4.77 -0.05 -4.25 117.00 120.94 3heg n LEU 289 Ca -0.25 -4.66 -0.39 0.00 -0.03 0.00 0.00 56.01 50.68 3heg n LEU 289 Cb 0.75 -1.18 -0.05 0.00 -2.33 0.00 0.00 43.42 40.61 3heg n LEU 289 CO 0.11 1.83 0.36 -0.69 -1.33 0.00 0.00 177.39 177.68 3heg s VAL 290 N -3.44 5.06 0.45 4.08 1.01 -1.25 -4.90 120.40 121.41 3heg s VAL 290 Ca 0.53 1.31 0.11 0.00 0.00 0.00 0.00 61.98 63.93 3heg s VAL 290 Cb 0.35 -3.98 0.25 0.00 0.00 0.00 0.00 36.38 32.99 3heg s VAL 290 CO -0.26 0.23 2.07 0.25 0.00 0.00 0.00 175.10 177.38 3heg h LEU 291 N 7.08 0.25 -8.56 3.92 5.85 -1.91 -3.39 115.31 118.54 3heg h LEU 291 Ca -0.39 -0.01 -0.61 0.00 0.84 0.00 0.00 57.88 57.71 3heg h LEU 291 Cb 1.18 -0.06 -0.11 0.00 0.37 0.00 0.00 40.66 42.03 3heg h LEU 291 CO 0.76 0.22 0.58 -0.62 -0.34 0.00 0.00 178.44 179.04 3heg s ASP 292 N -6.87 6.40 0.47 1.25 2.15 -1.26 -4.91 116.67 113.90 3heg s ASP 292 Ca -0.06 -0.16 0.30 0.00 0.43 0.00 0.00 52.55 53.06 3heg s ASP 292 Cb 0.17 -2.44 1.65 0.00 -0.30 0.00 0.00 42.92 41.99 3heg s ASP 292 CO 0.71 -1.16 1.92 0.77 -0.17 0.00 0.00 175.17 177.24 3heg h SER 293 N 9.23 0.00 1.49 -0.34 4.64 -1.97 0.19 113.55 126.79 3heg h SER 293 Ca -0.25 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.97 3heg h SER 293 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 3heg h SER 293 CO 1.06 0.00 -0.52 0.44 -0.87 0.00 0.00 176.83 176.95 3heg h ASP 294 N 0.00 0.00 -0.23 4.97 3.45 -1.93 -3.26 116.42 119.42 3heg h ASP 294 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3heg h ASP 294 Cb 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 3heg h ASP 294 CO 0.00 0.47 0.00 0.29 -1.57 0.00 0.00 179.24 178.43 3heg n LYS 295 N -3.20 2.30 -2.39 3.56 4.76 0.68 -4.94 118.16 118.93 3heg n LYS 295 Ca 0.02 -2.07 -0.42 0.00 -2.87 0.00 0.00 58.31 52.97 3heg n LYS 295 Cb 0.73 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 32.42 3heg n LYS 295 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3heg s ARG 296 N -1.61 4.45 0.36 1.97 3.00 -1.19 -4.96 118.95 120.97 3heg s ARG 296 Ca 0.32 1.83 -0.27 0.00 0.00 0.00 0.00 55.73 57.61 3heg s ARG 296 Cb 0.20 -3.30 -0.12 0.00 0.00 0.00 0.00 34.95 31.73 3heg s ARG 296 CO 0.29 -0.21 1.23 1.51 0.00 0.00 0.00 175.30 178.13 3heg n ILE 297 N 3.45 2.15 -2.28 1.52 3.06 -0.61 -5.02 119.36 121.64 3heg n ILE 297 Ca 0.08 -0.50 -0.25 0.00 -2.50 0.00 0.00 62.75 59.57 3heg n ILE 297 Cb 0.45 -1.48 0.09 0.00 0.54 0.00 0.00 39.64 39.25 3heg n ILE 297 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3heg s THR 298 N -1.13 2.25 0.07 9.51 -4.23 -1.26 -4.89 115.64 115.95 3heg s THR 298 Ca 0.57 -0.33 -0.24 0.00 -1.18 0.00 0.00 61.69 60.52 3heg s THR 298 Cb -0.57 -2.92 -0.16 0.00 1.34 0.00 0.00 72.50 70.19 3heg s THR 298 CO 0.61 0.00 1.63 0.00 -0.54 0.00 0.00 174.62 176.32 3heg h ALA 299 N -0.66 -0.00 -0.52 3.99 0.00 -1.94 0.25 119.26 120.37 3heg h ALA 299 Ca -0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3heg h ALA 299 Cb 1.29 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3heg h ALA 299 CO 0.53 -0.45 0.29 0.00 0.00 0.00 0.00 179.25 179.62 3heg h ALA 300 N 0.89 1.54 -0.27 0.00 0.00 -1.93 -2.29 119.26 117.20 3heg h ALA 300 Ca -0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3heg h ALA 300 Cb 0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3heg h ALA 300 CO 0.00 0.39 -0.25 1.96 0.00 0.00 0.00 179.25 181.35 3heg h GLN 301 N 0.71 0.64 0.00 0.00 4.20 -1.93 -3.27 115.11 115.46 3heg h GLN 301 Ca 0.19 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 3heg h GLN 301 Cb 0.01 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3heg h GLN 301 CO -0.03 0.94 -0.14 0.00 -0.67 0.00 0.00 178.83 178.92 3heg h ALA 302 N 0.69 1.72 -0.20 3.87 0.00 -0.51 -2.45 119.26 122.38 3heg h ALA 302 Ca 0.04 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3heg h ALA 302 Cb 0.81 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3heg h ALA 302 CO 0.06 0.18 -0.22 -0.07 0.00 0.00 0.00 179.25 179.21 3heg h LEU 303 N 0.00 0.36 -1.69 0.00 3.38 -1.48 -2.18 115.31 113.70 3heg h LEU 303 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3heg h LEU 303 Cb 0.26 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3heg h LEU 303 CO 0.02 0.59 0.00 0.00 0.09 0.00 0.00 178.44 179.14 3heg n ALA 304 N -2.48 2.84 -1.99 1.53 0.00 -0.93 -4.74 120.51 114.74 3heg n ALA 304 Ca -0.00 -0.68 -0.33 0.00 0.00 0.00 0.00 53.44 52.42 3heg n ALA 304 Cb 0.36 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 3heg n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3heg s HIS 305 N -1.67 3.40 0.56 0.00 5.04 -0.82 -4.97 115.29 116.82 3heg s HIS 305 Ca 0.21 1.42 0.34 0.00 -1.54 0.00 0.00 55.06 55.50 3heg s HIS 305 Cb 0.14 -2.69 1.93 0.00 0.04 0.00 0.00 32.58 32.00 3heg s HIS 305 CO 0.09 0.05 2.25 0.00 -2.34 0.00 0.00 174.74 174.78 3heg h ALA 306 N 2.29 1.29 0.00 1.58 0.00 -1.91 0.50 119.26 123.02 3heg h ALA 306 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3heg h ALA 306 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3heg h ALA 306 CO 0.64 0.03 0.00 -0.92 0.00 0.00 0.00 179.25 179.00 3heg h TYR 307 N 0.00 0.00 -0.30 0.00 3.20 -1.93 -2.76 116.97 115.17 3heg h TYR 307 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3heg h TYR 307 Cb 0.09 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.36 3heg h TYR 307 CO 0.00 0.00 0.00 1.19 -1.64 0.00 0.00 178.16 177.71 3heg n PHE 308 N -3.01 1.00 0.02 -3.82 3.01 0.17 -4.67 117.46 110.16 3heg n PHE 308 Ca -0.02 -0.83 0.13 0.00 1.01 0.00 0.00 57.45 57.74 3heg n PHE 308 Cb 0.12 -0.30 0.58 0.00 -0.01 0.00 0.00 39.48 39.86 3heg n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3heg h ALA 309 N 2.03 2.12 0.00 4.37 0.00 -1.58 0.23 119.26 126.43 3heg h ALA 309 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3heg h ALA 309 Cb 1.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3heg h ALA 309 CO 0.23 -0.22 0.00 1.96 0.00 0.00 0.00 179.25 181.22 3heg h GLN 310 N 0.22 0.00 0.00 0.00 1.08 -1.86 -3.36 115.11 111.19 3heg h GLN 310 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 3heg h GLN 310 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3heg h GLN 310 CO -0.04 0.00 -0.93 0.66 -0.95 0.00 0.00 178.83 177.58 3heg n TYR 311 N -2.49 0.00 -2.05 2.96 4.02 -0.11 -5.04 117.16 114.44 3heg n TYR 311 Ca 0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.51 3heg n TYR 311 Cb 0.41 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.70 3heg n TYR 311 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3heg s HIS 312 N -1.88 3.14 -0.23 -0.72 2.46 0.61 -5.00 115.29 113.67 3heg s HIS 312 Ca 0.00 0.84 -0.04 0.00 0.47 0.00 0.00 55.06 56.33 3heg s HIS 312 Cb 0.00 -3.80 0.08 0.00 -0.13 0.00 0.00 32.58 28.73 3heg s HIS 312 CO 0.00 -2.83 0.12 0.34 -2.47 0.00 0.00 174.74 169.90 3heg s ASP 313 N 0.98 2.80 0.63 9.88 2.15 -1.26 -4.98 116.67 126.87 3heg s ASP 313 Ca 0.66 -0.90 0.24 0.00 0.43 0.00 0.00 52.55 52.98 3heg s ASP 313 Cb -0.40 -0.22 1.33 0.00 -0.30 0.00 0.00 42.92 43.32 3heg s ASP 313 CO 0.33 -0.39 1.74 -0.65 -0.17 0.00 0.00 175.17 176.03 3heg h PRO 314 N 8.40 0.00 -0.25 4.34 0.11 -1.97 -0.29 132.00 142.35 3heg h PRO 314 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3heg h PRO 314 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3heg h PRO 314 CO 0.36 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.90 3heg n ASP 315 N -2.75 2.97 -2.65 -2.05 9.92 -1.26 -4.33 116.55 116.39 3heg n ASP 315 Ca -0.02 -1.87 -0.09 0.00 -0.53 0.00 0.00 54.79 52.29 3heg n ASP 315 Cb 0.46 -0.15 0.03 0.00 -0.64 0.00 0.00 41.12 40.82 3heg n ASP 315 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3heg n ASP 316 N 1.13 2.14 -3.25 -2.24 2.03 -0.12 -4.87 116.55 111.36 3heg n ASP 316 Ca 0.14 -2.64 -0.25 0.00 0.52 0.00 0.00 54.79 52.57 3heg n ASP 316 Cb 0.50 -0.49 -0.07 0.00 -0.72 0.00 0.00 41.12 40.35 3heg n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3heg n GLU 317 N -0.37 1.45 -1.71 -0.67 1.02 -1.22 -4.85 120.64 114.28 3heg n GLU 317 Ca 0.14 -3.78 -0.33 0.00 -0.02 0.00 0.00 57.16 53.17 3heg n GLU 317 Cb 0.81 -1.64 0.05 0.00 -0.02 0.00 0.00 31.44 30.64 3heg n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3heg s PRO 318 N -1.83 2.71 0.33 3.49 0.04 -1.26 -4.97 135.00 133.50 3heg s PRO 318 Ca 0.38 1.43 0.07 0.00 0.04 0.00 0.00 61.00 62.92 3heg s PRO 318 Cb 0.19 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.77 3heg s PRO 318 CO -0.08 -1.33 0.33 0.14 0.04 0.00 0.00 177.00 176.11 3heg s VAL 319 N -2.30 3.80 0.29 -0.36 -7.23 -1.26 -4.18 120.40 109.16 3heg s VAL 319 Ca 0.68 -1.26 -0.16 0.00 -1.81 0.00 0.00 61.98 59.42 3heg s VAL 319 Cb -0.21 -3.28 -0.09 0.00 0.56 0.00 0.00 36.38 33.35 3heg s VAL 319 CO 0.42 -0.19 0.73 0.00 -0.31 0.00 0.00 175.10 175.75 3heg s ALA 320 N -2.25 3.35 0.66 1.32 0.00 -1.25 -5.03 121.76 118.55 3heg s ALA 320 Ca 0.41 0.07 -0.17 0.00 0.00 0.00 0.00 51.96 52.27 3heg s ALA 320 Cb -0.07 -2.78 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 3heg s ALA 320 CO 0.28 0.33 0.65 -0.25 0.00 0.00 0.00 175.76 176.77 3heg n ASP 321 N -0.05 -0.61 -4.61 0.00 8.00 -1.26 -4.78 116.55 113.24 3heg n ASP 321 Ca 0.02 0.68 -0.43 0.00 0.71 0.00 0.00 54.79 55.77 3heg n ASP 321 Cb 0.53 -1.26 -0.00 0.00 -0.02 0.00 0.00 41.12 40.37 3heg n ASP 321 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3heg n PRO 322 N -0.72 1.45 -3.96 -0.24 -0.04 -1.26 -4.79 135.00 125.44 3heg n PRO 322 Ca 0.12 0.51 -0.29 0.00 -0.04 0.00 0.00 63.50 63.80 3heg n PRO 322 Cb 0.49 -1.98 -0.17 0.00 -0.04 0.00 0.00 33.50 31.80 3heg n PRO 322 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3heg s TYR 323 N -1.15 1.90 -0.56 0.54 5.04 -1.26 -5.08 117.35 116.77 3heg s TYR 323 Ca 0.60 -1.07 -0.25 0.00 -2.44 0.00 0.00 57.07 53.90 3heg s TYR 323 Cb -0.63 -1.44 0.04 0.00 0.35 0.00 0.00 41.96 40.28 3heg s TYR 323 CO 0.59 -0.62 1.02 0.34 -1.34 0.00 0.00 175.55 175.55 3heg s ASP 324 N 1.57 6.37 -0.29 4.32 3.68 -1.26 -4.86 116.67 126.20 3heg s ASP 324 Ca 0.04 -0.22 0.08 0.00 2.13 0.00 0.00 52.55 54.58 3heg s ASP 324 Cb -0.13 -2.47 0.45 0.00 -1.45 0.00 0.00 42.92 39.32 3heg s ASP 324 CO -0.09 -1.31 1.29 0.00 0.13 0.00 0.00 175.17 175.19 3heg n GLN 325 N 7.78 2.69 0.26 4.34 10.64 -1.26 -4.68 117.38 137.14 3heg n GLN 325 Ca 0.04 -3.71 0.12 0.00 -1.83 0.00 0.00 57.00 51.62 3heg n GLN 325 Cb 0.48 -2.01 0.72 0.00 -0.86 0.00 0.00 30.24 28.56 3heg n GLN 325 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3heg h SER 326 N 1.64 0.00 -0.41 2.61 4.64 -2.04 -2.20 113.55 117.80 3heg h SER 326 Ca 0.25 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.69 3heg h SER 326 Cb 1.35 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.42 3heg h SER 326 CO 0.53 0.12 0.36 2.19 -0.87 0.00 0.00 176.83 179.16 3heg h PHE 327 N 0.00 0.00 0.00 4.77 -5.15 -1.97 -0.25 116.94 114.34 3heg h PHE 327 Ca -0.00 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3heg h PHE 327 Cb 0.33 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.50 3heg h PHE 327 CO 0.00 0.00 -0.00 0.93 -2.00 0.00 0.00 178.31 177.24 3heg h GLU 328 N 0.00 0.00 -0.01 6.09 4.39 -1.78 -0.82 114.58 122.46 3heg h GLU 328 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3heg h GLU 328 Cb 0.91 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 3heg h GLU 328 CO -0.00 0.00 -0.18 -1.13 -1.16 0.00 0.00 179.01 176.54 3heg n SER 329 N -4.11 1.12 -4.73 1.42 3.41 -0.10 -4.88 113.62 105.74 3heg n SER 329 Ca -0.03 -1.04 -0.39 0.00 -0.26 0.00 0.00 58.87 57.16 3heg n SER 329 Cb 0.09 0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.07 3heg n SER 329 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3heg s ARG 330 N -2.36 4.35 -0.28 4.33 3.00 -0.31 -5.06 118.95 122.62 3heg s ARG 330 Ca 0.28 0.65 -0.09 0.00 0.00 0.00 0.00 55.73 56.58 3heg s ARG 330 Cb 0.20 -3.41 -0.02 0.00 0.00 0.00 0.00 34.95 31.72 3heg s ARG 330 CO 0.47 0.20 0.12 -0.51 0.00 0.00 0.00 175.30 175.58 3heg s ASP 331 N 0.41 5.44 0.33 0.23 1.01 -1.26 -5.04 116.67 117.78 3heg s ASP 331 Ca 0.31 -0.33 0.03 0.00 0.71 0.00 0.00 52.55 53.26 3heg s ASP 331 Cb -0.17 -1.98 -0.05 0.00 1.01 0.00 0.00 42.92 41.73 3heg s ASP 331 CO 0.15 -0.11 0.09 -0.76 0.21 0.00 0.00 175.17 174.75 3heg s LEU 332 N 1.63 1.94 0.54 1.23 1.43 -1.26 -5.16 118.68 119.04 3heg s LEU 332 Ca 0.06 -1.47 -0.07 0.00 -1.03 0.00 0.00 54.13 51.62 3heg s LEU 332 Cb -0.16 -0.16 -0.02 0.00 0.03 0.00 0.00 46.19 45.88 3heg s LEU 332 CO 0.06 -0.74 0.87 -0.76 0.23 0.00 0.00 176.35 176.00 3heg s LEU 333 N -3.46 3.44 0.20 1.79 1.02 -1.26 -4.93 118.68 115.48 3heg s LEU 333 Ca 0.34 0.97 -0.10 0.00 0.02 0.00 0.00 54.13 55.35 3heg s LEU 333 Cb 0.07 -3.90 0.26 0.00 0.02 0.00 0.00 46.19 42.64 3heg s LEU 333 CO 0.15 -0.78 1.72 0.40 0.02 0.00 0.00 176.35 177.87 3heg h ILE 334 N 0.00 0.72 -0.10 -0.59 2.04 -1.92 -1.71 117.51 115.95 3heg h ILE 334 Ca -0.46 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.23 3heg h ILE 334 Cb 1.22 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3heg h ILE 334 CO 0.62 0.06 -0.21 0.44 0.00 0.00 0.00 178.15 179.06 3heg h ASP 335 N 0.32 0.16 0.05 1.72 3.32 -1.94 0.70 116.42 120.74 3heg h ASP 335 Ca 0.30 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 3heg h ASP 335 Cb 0.40 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3heg h ASP 335 CO -0.34 0.38 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.20 3heg h GLU 336 N 0.15 -0.07 -0.88 3.56 5.08 -1.77 -0.36 114.58 120.29 3heg h GLU 336 Ca 0.03 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.55 3heg h GLU 336 Cb 0.46 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.63 3heg h GLU 336 CO 0.03 0.51 0.47 -1.49 -1.00 0.00 0.00 179.01 177.53 3heg h TRP 337 N -0.73 0.82 -0.38 4.33 -0.00 -1.29 -1.29 115.95 117.41 3heg h TRP 337 Ca -0.01 0.03 -0.13 0.00 -0.00 0.00 0.00 58.89 58.78 3heg h TRP 337 Cb 0.61 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 29.54 3heg h TRP 337 CO 0.13 0.18 -0.29 -0.22 -0.00 0.00 0.00 178.44 178.24 3heg h LYS 338 N 0.64 0.86 -0.48 0.49 3.64 -0.83 -1.56 116.57 119.33 3heg h LYS 338 Ca 0.49 -0.42 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3heg h LYS 338 Cb 0.73 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 3heg h LYS 338 CO -0.38 1.07 0.20 1.03 -2.27 0.00 0.00 179.45 179.10 3heg h SER 339 N 0.67 0.65 -0.66 4.20 0.87 -0.64 -1.02 113.55 117.62 3heg h SER 339 Ca 0.07 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 3heg h SER 339 Cb 0.87 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.63 3heg h SER 339 CO 0.08 0.63 0.30 -0.07 -0.53 0.00 0.00 176.83 177.23 3heg h LEU 340 N 0.63 0.90 -0.51 2.23 4.07 -1.23 0.09 115.31 121.49 3heg h LEU 340 Ca 0.16 -0.11 -0.07 0.00 0.08 0.00 0.00 57.88 57.94 3heg h LEU 340 Cb 0.17 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 3heg h LEU 340 CO -0.02 0.78 0.06 0.74 -1.08 0.00 0.00 178.44 178.93 3heg h THR 341 N 0.98 1.26 -0.19 0.22 2.02 -1.08 -2.34 112.91 113.77 3heg h THR 341 Ca 0.23 -0.98 0.01 0.00 0.77 0.00 0.00 66.41 66.44 3heg h THR 341 Cb 0.14 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3heg h THR 341 CO -0.03 0.35 0.12 0.22 0.37 0.00 0.00 175.52 176.55 3heg h TYR 342 N 0.74 0.22 -0.35 3.16 3.20 -0.57 0.35 116.97 123.71 3heg h TYR 342 Ca 0.15 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.11 3heg h TYR 342 Cb 0.43 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.55 3heg h TYR 342 CO 0.03 0.13 -0.26 -0.44 -1.64 0.00 0.00 178.16 175.99 3heg h ASP 343 N 0.24 -0.85 -0.50 -2.11 3.45 -0.98 -1.28 116.42 114.38 3heg h ASP 343 Ca 0.07 0.16 0.05 0.00 0.43 0.00 0.00 57.03 57.75 3heg h ASP 343 Cb -0.01 0.42 -0.03 0.00 -0.56 0.00 0.00 39.33 39.15 3heg h ASP 343 CO -0.03 -0.28 0.33 -0.33 -1.57 0.00 0.00 179.24 177.36 3heg h GLU 344 N -0.21 0.47 -0.57 3.56 4.39 -0.81 0.16 114.58 121.57 3heg h GLU 344 Ca 0.17 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.75 3heg h GLU 344 Cb 0.48 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 3heg h GLU 344 CO -0.48 0.31 -0.01 0.28 -1.16 0.00 0.00 179.01 177.95 3heg h VAL 345 N 0.49 1.27 -0.11 3.13 2.07 -0.21 -3.12 116.25 119.76 3heg h VAL 345 Ca 0.21 -1.15 -0.24 0.00 0.82 0.00 0.00 66.70 66.34 3heg h VAL 345 Cb 0.23 0.87 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3heg h VAL 345 CO -0.06 0.41 -0.85 0.40 0.02 0.00 0.00 177.57 177.50 3heg h ILE 346 N 0.91 1.28 -0.02 4.57 5.03 0.06 -3.17 117.51 126.16 3heg h ILE 346 Ca 0.16 -2.05 0.00 0.00 -0.12 0.00 0.00 64.86 62.85 3heg h ILE 346 Cb 0.57 2.09 0.00 0.00 -3.03 0.00 0.00 36.82 36.44 3heg h ILE 346 CO 0.03 0.65 0.00 -1.54 -0.68 0.00 0.00 178.15 176.61 3heg n SER 347 N -3.91 0.16 -4.72 1.72 3.41 0.38 -4.89 113.62 105.76 3heg n SER 347 Ca -0.08 -2.00 -0.42 0.00 -0.26 0.00 0.00 58.87 56.11 3heg n SER 347 Cb 0.78 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.67 3heg n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3heg s PHE 348 N -1.94 3.30 -0.30 7.33 5.36 -1.18 -5.01 117.98 125.54 3heg s PHE 348 Ca 0.02 1.16 -0.04 0.00 -0.96 0.00 0.00 56.93 57.10 3heg s PHE 348 Cb 0.01 -3.58 0.04 0.00 -0.34 0.00 0.00 43.02 39.14 3heg s PHE 348 CO 0.01 -1.89 0.04 0.08 -1.46 0.00 0.00 175.22 172.01 3heg s VAL 349 N 0.63 3.42 0.40 3.12 1.01 -1.26 -5.09 120.40 122.64 3heg s VAL 349 Ca 0.60 -1.12 -0.27 0.00 0.00 0.00 0.00 61.98 61.18 3heg s VAL 349 Cb -0.35 -2.88 -0.10 0.00 0.00 0.00 0.00 36.38 33.05 3heg s VAL 349 CO 0.33 -0.05 1.48 -2.16 0.00 0.00 0.00 175.10 174.70 3heg s PRO 350 N 1.36 3.97 0.68 2.72 0.04 -1.26 -4.97 135.00 137.53 3heg s PRO 350 Ca -0.02 2.55 -0.13 0.00 0.04 0.00 0.00 61.00 63.44 3heg s PRO 350 Cb -0.19 -2.87 0.01 0.00 0.04 0.00 0.00 34.50 31.49 3heg s PRO 350 CO 0.00 -0.64 1.08 -1.25 0.04 0.00 0.00 177.00 176.23 3heg s PRO 351 N -2.22 2.83 0.00 0.56 0.04 -1.26 -5.17 135.00 129.78 3heg s PRO 351 Ca 0.55 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.76 3heg s PRO 351 Cb -0.46 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.11 3heg s PRO 351 CO 0.62 -1.20 0.36 -2.30 0.04 0.00 0.00 177.00 174.52