#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3led s PHE -2 N 0.00 2.55 0.04 -0.72 0.08 -1.26 -5.10 117.98 113.57 3led s PHE -2 Ca 0.00 -0.32 -0.28 0.00 0.12 0.00 0.00 56.93 56.44 3led s PHE -2 Cb 0.00 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.82 3led s PHE -2 CO 0.00 0.06 0.91 -1.14 -0.10 0.00 0.00 175.22 174.94 3led s GLN -1 N -0.60 4.59 0.14 0.44 0.74 -1.26 -5.05 119.66 118.66 3led s GLN -1 Ca 0.09 1.31 -0.09 0.00 0.05 0.00 0.00 55.36 56.72 3led s GLN -1 Cb -0.11 -3.41 -0.06 0.00 1.10 0.00 0.00 33.01 30.53 3led s GLN -1 CO 0.00 0.11 0.45 0.20 -0.55 0.00 0.00 175.29 175.51 3led s GLY 0 N 0.44 2.31 -0.08 2.59 0.00 -1.26 -5.05 107.32 106.27 3led s GLY 0 Ca 0.46 -0.37 -0.30 0.00 0.00 0.00 0.00 44.72 44.52 3led s GLY 0 CO 0.27 -0.20 1.44 0.14 0.00 0.00 0.00 173.10 174.74 3led s VAL 1 N -1.58 3.88 -0.23 1.40 1.01 -1.26 -4.88 120.40 118.74 3led s VAL 1 Ca 0.39 1.13 -0.21 0.00 0.00 0.00 0.00 61.98 63.29 3led s VAL 1 Cb -0.13 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3led s VAL 1 CO 0.21 -0.07 0.64 -0.13 0.00 0.00 0.00 175.10 175.75 3led s ARG 2 N 3.34 4.16 0.78 2.72 0.52 -0.32 -5.05 118.95 125.10 3led s ARG 2 Ca 0.64 0.60 -0.13 0.00 -0.52 0.00 0.00 55.73 56.32 3led s ARG 2 Cb -0.29 -3.62 0.07 0.00 0.52 0.00 0.00 34.95 31.63 3led s ARG 2 CO 0.23 -0.35 1.19 -2.14 0.02 0.00 0.00 175.30 174.25 3led s PRO 3 N 2.28 1.85 0.28 3.54 0.02 -1.26 -3.85 135.00 137.85 3led s PRO 3 Ca 0.28 1.67 0.11 0.00 0.02 0.00 0.00 61.00 63.09 3led s PRO 3 Cb -0.16 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 3led s PRO 3 CO 0.09 -2.04 -0.16 0.00 -0.33 0.00 0.00 177.00 174.57 3led s ALA 4 N -2.21 2.83 -0.03 -1.55 0.00 -1.26 -0.64 121.76 118.91 3led s ALA 4 Ca 0.72 -1.85 0.01 0.00 0.00 0.00 0.00 51.96 50.84 3led s ALA 4 Cb -0.27 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.52 3led s ALA 4 CO 0.49 0.27 -0.05 0.08 0.00 0.00 0.00 175.76 176.55 3led s VAL 5 N -2.48 0.48 -0.61 0.00 1.01 0.45 -1.24 120.40 118.01 3led s VAL 5 Ca 0.30 -0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 3led s VAL 5 Cb -0.05 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.88 3led s VAL 5 CO 0.16 0.18 1.35 -0.63 0.00 0.00 0.00 175.10 176.16 3led s ILE 6 N 0.48 3.81 -0.05 2.22 1.01 0.48 -1.35 121.20 127.79 3led s ILE 6 Ca -0.06 0.64 0.13 0.00 0.00 0.00 0.00 60.65 61.36 3led s ILE 6 Cb -0.10 -4.60 -0.10 0.00 0.01 0.00 0.00 42.46 37.67 3led s ILE 6 CO -0.00 -1.36 1.15 0.00 0.00 0.00 0.00 174.94 174.73 3led h ALA 7 N 10.64 0.59 -2.24 9.38 0.00 -0.98 -1.90 119.26 134.75 3led h ALA 7 Ca -0.27 -0.81 0.08 0.00 0.00 0.00 0.00 54.91 53.91 3led h ALA 7 Cb 1.08 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.75 3led h ALA 7 CO 1.21 1.01 0.44 0.00 0.00 0.00 0.00 179.25 181.91 3led s ALA 8 N -2.83 -1.81 0.11 0.00 0.00 -1.20 -4.64 121.76 111.40 3led s ALA 8 Ca 0.00 1.06 0.03 0.00 0.00 0.00 0.00 51.96 53.06 3led s ALA 8 Cb 0.09 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 3led s ALA 8 CO 0.79 -0.61 -0.09 0.95 0.00 0.00 0.00 175.76 176.80 3led s THR 9 N -2.74 0.92 0.08 0.00 -4.23 -1.26 -0.75 115.64 107.66 3led s THR 9 Ca 0.02 -1.89 0.01 0.00 -1.18 0.00 0.00 61.69 58.65 3led s THR 9 Cb -0.01 -1.64 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 3led s THR 9 CO -0.06 -0.74 -0.06 -0.83 -0.54 0.00 0.00 174.62 172.39 3led s GLY 10 N -2.91 0.66 -0.08 3.99 0.00 0.00 -3.92 107.32 105.06 3led s GLY 10 Ca 0.12 -1.25 -0.05 0.00 0.00 0.00 0.00 44.72 43.54 3led s GLY 10 CO -0.02 -1.35 0.19 -2.27 0.00 0.00 0.00 173.10 169.65 3led s LEU 11 N -2.86 0.78 -0.17 0.66 2.96 -1.26 -1.13 118.68 117.67 3led s LEU 11 Ca 0.08 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.39 3led s LEU 11 Cb 0.04 0.56 0.01 0.00 0.50 0.00 0.00 46.19 47.30 3led s LEU 11 CO -0.06 -0.13 -0.16 -0.47 -1.32 0.00 0.00 176.35 174.21 3led s TYR 12 N 0.90 2.78 -0.20 5.38 5.04 0.38 -4.66 117.35 126.97 3led s TYR 12 Ca -0.07 -1.24 -0.03 0.00 -2.44 0.00 0.00 57.07 53.29 3led s TYR 12 Cb -0.08 -1.91 -0.01 0.00 0.35 0.00 0.00 41.96 40.31 3led s TYR 12 CO -0.05 -0.60 -0.08 0.99 -1.34 0.00 0.00 175.55 174.48 3led s THR 13 N 1.02 3.15 0.63 4.34 2.01 -1.26 -1.64 115.64 123.88 3led s THR 13 Ca -0.02 -0.58 -0.18 0.00 0.31 0.00 0.00 61.69 61.22 3led s THR 13 Cb -0.15 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 3led s THR 13 CO -0.04 0.45 1.20 -2.65 -0.69 0.00 0.00 174.62 172.89 3led n PRO 14 N 4.60 1.10 0.21 4.92 -0.02 -1.26 -4.91 135.00 139.64 3led n PRO 14 Ca -0.19 0.43 0.09 0.00 -2.02 0.00 0.00 63.50 61.81 3led n PRO 14 Cb 0.51 -2.43 0.43 0.00 -0.02 0.00 0.00 33.50 31.99 3led n PRO 14 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3led h PRO 15 N 0.59 0.00 -5.74 0.52 0.13 -1.96 -3.45 132.00 122.09 3led h PRO 15 Ca -0.50 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.96 3led h PRO 15 Cb 1.34 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.39 3led h PRO 15 CO 0.53 0.25 -0.51 -0.51 -0.23 0.00 0.00 178.00 177.53 3led s ASP 16 N -6.24 6.16 0.15 1.44 1.01 -1.26 -5.05 116.67 112.89 3led s ASP 16 Ca 0.01 0.38 0.10 0.00 0.71 0.00 0.00 52.55 53.75 3led s ASP 16 Cb 0.10 -1.94 -0.04 0.00 1.01 0.00 0.00 42.92 42.05 3led s ASP 16 CO 0.65 0.38 -0.23 -0.44 0.21 0.00 0.00 175.17 175.74 3led s SER 17 N -1.17 3.08 -0.25 0.27 0.01 -1.26 -1.35 113.70 113.04 3led s SER 17 Ca 0.17 -0.80 0.01 0.00 1.31 0.00 0.00 55.95 56.64 3led s SER 17 Cb -0.12 -0.20 0.05 0.00 0.21 0.00 0.00 66.02 65.95 3led s SER 17 CO 0.06 0.09 -0.11 -0.69 0.41 0.00 0.00 173.24 173.00 3led s VAL 18 N -1.50 2.35 0.80 3.43 1.01 0.23 -4.93 120.40 121.80 3led s VAL 18 Ca 0.15 -1.37 -0.11 0.00 0.00 0.00 0.00 61.98 60.65 3led s VAL 18 Cb -0.08 -2.27 0.07 0.00 0.00 0.00 0.00 36.38 34.09 3led s VAL 18 CO 0.07 0.11 1.09 -0.94 0.00 0.00 0.00 175.10 175.43 3led s SER 19 N 1.19 4.32 0.26 3.32 1.04 -1.26 -2.08 113.70 120.49 3led s SER 19 Ca -0.04 1.60 -0.01 0.00 0.48 0.00 0.00 55.95 57.97 3led s SER 19 Cb -0.18 -2.33 0.49 0.00 0.10 0.00 0.00 66.02 64.10 3led s SER 19 CO -0.06 -2.12 1.80 0.78 0.98 0.00 0.00 173.24 174.62 3led h ASN 20 N -1.19 0.69 -0.54 7.02 2.35 -1.63 -0.77 115.58 121.51 3led h ASN 20 Ca -0.46 0.06 0.03 0.00 -0.55 0.00 0.00 56.30 55.39 3led h ASN 20 Cb 1.25 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 39.52 3led h ASN 20 CO 0.54 0.35 0.31 0.00 -1.65 0.00 0.00 177.43 176.98 3led h ALA 21 N 1.52 0.70 -0.55 -0.83 0.00 -1.92 0.43 119.26 118.61 3led h ALA 21 Ca 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 3led h ALA 21 Cb 0.51 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3led h ALA 21 CO -0.29 0.00 0.07 0.93 0.00 0.00 0.00 179.25 179.95 3led h GLU 22 N 0.60 0.92 -0.17 0.00 5.08 -1.78 -1.16 114.58 118.06 3led h GLU 22 Ca 0.23 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3led h GLU 22 Cb 0.07 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3led h GLU 22 CO -0.12 0.90 0.10 1.25 -1.00 0.00 0.00 179.01 180.14 3led h LEU 23 N 0.80 0.21 -0.76 1.33 5.85 -0.74 -2.68 115.31 119.33 3led h LEU 23 Ca 0.16 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 3led h LEU 23 Cb 0.44 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3led h LEU 23 CO 0.01 0.21 -0.27 0.58 -0.34 0.00 0.00 178.44 178.63 3led h VAL 24 N 0.19 1.28 -0.43 1.05 2.07 -0.87 -0.48 116.25 119.07 3led h VAL 24 Ca 0.06 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 3led h VAL 24 Cb 0.04 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3led h VAL 24 CO -0.01 0.44 0.25 -0.08 0.02 0.00 0.00 177.57 178.19 3led h GLU 25 N 0.55 0.59 -0.29 1.57 4.81 -1.11 0.26 114.58 120.97 3led h GLU 25 Ca 0.07 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 3led h GLU 25 Cb 0.75 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 3led h GLU 25 CO 0.06 0.46 -0.36 0.00 -0.73 0.00 0.00 179.01 178.44 3led h ALA 26 N 1.10 0.43 -0.65 2.92 0.00 -1.32 -2.37 119.26 119.37 3led h ALA 26 Ca 0.15 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3led h ALA 26 Cb 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3led h ALA 26 CO -0.03 0.50 0.42 0.35 0.00 0.00 0.00 179.25 180.49 3led h PHE 27 N 0.50 0.84 -0.09 0.00 3.57 -0.84 -0.23 116.94 120.68 3led h PHE 27 Ca 0.04 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.42 3led h PHE 27 Cb 0.94 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 3led h PHE 27 CO 0.07 0.54 -0.53 -0.91 -2.23 0.00 0.00 178.31 175.26 3led h ASN 28 N 0.88 0.28 -0.47 0.41 2.35 -0.92 0.72 115.58 118.83 3led h ASN 28 Ca 0.24 -0.14 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 3led h ASN 28 Cb -0.07 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3led h ASN 28 CO -0.05 0.76 -0.09 0.74 -1.65 0.00 0.00 177.43 177.14 3led h THR 29 N 0.20 1.27 -0.35 2.81 2.02 -1.12 -1.84 112.91 115.90 3led h THR 29 Ca 0.00 -1.21 0.05 0.00 0.77 0.00 0.00 66.41 66.02 3led h THR 29 Cb 0.99 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 3led h THR 29 CO 0.08 0.42 0.09 0.22 0.37 0.00 0.00 175.52 176.70 3led h TYR 30 N 0.74 0.16 -0.22 3.16 3.20 -0.55 -0.11 116.97 123.35 3led h TYR 30 Ca 0.12 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.05 3led h TYR 30 Cb 0.64 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 3led h TYR 30 CO 0.05 0.05 -0.01 0.28 -1.64 0.00 0.00 178.16 176.88 3led h VAL 31 N 0.22 0.83 -0.49 1.81 2.07 -0.71 0.29 116.25 120.27 3led h VAL 31 Ca 0.16 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 3led h VAL 31 Cb 0.16 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3led h VAL 31 CO -0.19 0.01 0.24 0.00 0.02 0.00 0.00 177.57 177.65 3led h ALA 32 N 1.20 0.63 -0.42 1.67 0.00 -1.10 -0.26 119.26 120.98 3led h ALA 32 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3led h ALA 32 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3led h ALA 32 CO -0.19 0.20 0.23 -0.97 0.00 0.00 0.00 179.25 178.51 3led h ASN 33 N 0.65 0.53 -0.27 0.00 -1.24 -0.63 -2.18 115.58 112.45 3led h ASN 33 Ca 0.17 -0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 3led h ASN 33 Cb 0.12 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 3led h ASN 33 CO -0.02 0.48 0.07 0.15 -1.29 0.00 0.00 177.43 176.81 3led h PHE 34 N 0.55 0.44 -0.60 0.67 3.57 -0.18 0.18 116.94 121.57 3led h PHE 34 Ca 0.15 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3led h PHE 34 Cb 0.06 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3led h PHE 34 CO -0.02 0.49 0.24 -0.91 -2.23 0.00 0.00 178.31 175.89 3led h ASN 35 N 0.26 0.79 -0.11 0.41 2.35 -0.99 -0.95 115.58 117.34 3led h ASN 35 Ca 0.08 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 3led h ASN 35 Cb 0.27 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3led h ASN 35 CO -0.00 0.70 -0.28 0.00 -1.65 0.00 0.00 177.43 176.21 3led h ALA 36 N 1.42 0.18 -0.15 -0.83 0.00 -1.26 -2.29 119.26 116.33 3led h ALA 36 Ca 0.20 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3led h ALA 36 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3led h ALA 36 CO -0.02 0.18 -0.03 0.00 0.00 0.00 0.00 179.25 179.38 3led h ALA 37 N 0.50 1.68 -0.44 0.00 0.00 -0.72 -2.80 119.26 117.48 3led h ALA 37 Ca -0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3led h ALA 37 Cb 0.88 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 3led h ALA 37 CO 0.06 0.24 0.06 0.09 0.00 0.00 0.00 179.25 179.70 3led n ASN 38 N -4.38 4.09 -0.15 0.00 3.02 -0.38 -4.73 115.26 112.73 3led n ASN 38 Ca -0.01 -3.20 0.04 0.00 -0.03 0.00 0.00 54.58 51.39 3led n ASN 38 Cb 0.19 -0.63 0.34 0.00 -0.61 0.00 0.00 39.78 39.06 3led n ASN 38 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3led h LYS 39 N 2.11 0.76 -0.26 3.52 2.10 -1.13 -0.48 116.57 123.19 3led h LYS 39 Ca 0.11 -0.05 -0.19 0.00 -2.00 0.00 0.00 60.65 58.52 3led h LYS 39 Cb 1.78 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.94 3led h LYS 39 CO 0.42 0.51 -0.58 0.00 -2.00 0.00 0.00 179.45 177.79 3led h ALA 40 N 1.61 0.42 -0.51 0.07 0.00 -1.86 -0.40 119.26 118.59 3led h ALA 40 Ca 0.27 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 3led h ALA 40 Cb 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3led h ALA 40 CO -0.07 0.66 0.01 0.00 0.00 0.00 0.00 179.25 179.85 3led h ARG 41 N 0.63 0.85 -0.02 0.00 3.08 -1.76 -1.26 114.38 115.91 3led h ARG 41 Ca 0.00 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 3led h ARG 41 Cb 1.20 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 3led h ARG 41 CO 0.13 0.85 0.00 0.82 -1.07 0.00 0.00 179.97 180.70 3led h ILE 42 N 0.80 1.20 0.00 2.04 2.04 -1.03 -0.90 117.51 121.65 3led h ILE 42 Ca 0.15 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 3led h ILE 42 Cb 0.46 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3led h ILE 42 CO 0.02 0.15 -0.27 -0.33 0.00 0.00 0.00 178.15 177.73 3led h GLU 43 N -0.21 0.00 0.00 2.37 4.39 -0.90 -1.05 114.58 119.18 3led h GLU 43 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3led h GLU 43 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3led h GLU 43 CO 0.00 0.27 0.00 0.00 -1.16 0.00 0.00 179.01 178.12 3led n ALA 44 N -2.37 1.77 -0.69 3.43 0.00 -0.49 -4.91 120.51 117.24 3led n ALA 44 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3led n ALA 44 Cb 0.36 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3led n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3led n GLY 45 N 0.23 0.63 0.17 0.00 0.00 -0.40 -4.98 105.19 100.84 3led n GLY 45 Ca 0.03 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 3led n GLY 45 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3led h GLU 46 N 1.42 0.51 -4.70 1.61 5.08 -1.37 -3.46 114.58 113.67 3led h GLU 46 Ca 0.00 -0.21 -0.25 0.00 -1.00 0.00 0.00 59.36 57.89 3led h GLU 46 Cb 0.00 -0.02 -0.16 0.00 0.50 0.00 0.00 28.75 29.07 3led h GLU 46 CO 0.00 0.76 -0.71 0.96 -1.00 0.00 0.00 179.01 179.02 3led s ILE 47 N -4.65 0.73 0.40 3.13 -4.36 -1.23 -5.04 121.20 110.18 3led s ILE 47 Ca -0.13 -1.74 -0.23 0.00 -0.26 0.00 0.00 60.65 58.29 3led s ILE 47 Cb 0.07 -1.44 -0.10 0.00 1.25 0.00 0.00 42.46 42.24 3led s ILE 47 CO 0.77 -0.73 0.97 -1.61 0.24 0.00 0.00 174.94 174.58 3led s GLU 48 N -3.25 4.27 0.71 0.37 2.02 -1.26 -4.34 118.70 117.23 3led s GLU 48 Ca 0.07 1.24 -0.15 0.00 0.02 0.00 0.00 54.97 56.15 3led s GLU 48 Cb 0.01 -2.38 0.03 0.00 0.10 0.00 0.00 34.13 31.89 3led s GLU 48 CO -0.03 -0.00 1.18 -1.25 0.02 0.00 0.00 175.26 175.19 3led s PRO 49 N -2.81 2.34 0.49 0.39 0.04 -1.26 -5.01 135.00 129.19 3led s PRO 49 Ca 0.59 1.68 -0.15 0.00 0.04 0.00 0.00 61.00 63.16 3led s PRO 49 Cb -0.14 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 3led s PRO 49 CO 0.18 -1.66 0.94 -0.51 0.04 0.00 0.00 177.00 175.99 3led s LEU 50 N -5.02 3.66 0.05 -3.56 1.43 -1.26 -5.09 118.68 108.89 3led s LEU 50 Ca 0.73 1.47 0.08 0.00 -1.03 0.00 0.00 54.13 55.37 3led s LEU 50 Cb -0.27 -4.40 -0.03 0.00 0.03 0.00 0.00 46.19 41.52 3led s LEU 50 CO 0.43 -0.55 -0.19 -1.10 0.23 0.00 0.00 176.35 175.17 3led s GLN 51 N -4.06 2.00 0.76 1.70 -0.21 -1.26 -4.99 119.66 113.60 3led s GLN 51 Ca 0.57 -1.02 -0.12 0.00 0.02 0.00 0.00 55.36 54.81 3led s GLN 51 Cb -0.10 -2.15 0.05 0.00 1.00 0.00 0.00 33.01 31.81 3led s GLN 51 CO 0.32 0.53 1.12 -1.25 -2.12 0.00 0.00 175.29 173.89 3led s PRO 52 N -1.45 2.19 0.57 2.91 0.04 -1.26 -4.89 135.00 133.11 3led s PRO 52 Ca 0.14 1.39 0.09 0.00 0.04 0.00 0.00 61.00 62.66 3led s PRO 52 Cb -0.10 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.64 3led s PRO 52 CO 0.05 -1.72 0.72 0.45 0.04 0.00 0.00 177.00 176.54 3led s SER 53 N -2.82 5.03 0.03 6.66 0.15 -1.26 -5.10 113.70 116.38 3led s SER 53 Ca 0.66 -0.91 -0.22 0.00 0.70 0.00 0.00 55.95 56.18 3led s SER 53 Cb -0.21 0.30 0.05 0.00 -1.71 0.00 0.00 66.02 64.45 3led s SER 53 CO 0.50 -1.29 0.50 -0.94 1.20 0.00 0.00 173.24 173.21 3led s SER 54 N -4.59 -0.41 0.30 5.45 1.04 -1.26 -4.95 113.70 109.27 3led s SER 54 Ca 0.57 0.20 -0.01 0.00 0.48 0.00 0.00 55.95 57.19 3led s SER 54 Cb -0.05 0.47 0.45 0.00 0.10 0.00 0.00 66.02 66.99 3led s SER 54 CO 0.36 -0.67 1.88 0.28 0.98 0.00 0.00 173.24 176.07 3led h SER 55 N 2.96 0.78 -0.54 7.02 0.02 -1.97 -2.27 113.55 119.55 3led h SER 55 Ca -0.30 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.56 3led h SER 55 Cb 1.20 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.50 3led h SER 55 CO 0.41 0.71 0.34 -0.08 -1.14 0.00 0.00 176.83 177.06 3led h GLU 56 N 0.84 0.65 -0.28 3.45 4.81 -1.99 -0.43 114.58 121.63 3led h GLU 56 Ca 0.20 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.41 3led h GLU 56 Cb 0.17 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3led h GLU 56 CO -0.02 0.43 0.15 0.35 -0.73 0.00 0.00 179.01 179.19 3led h PHE 57 N 0.67 0.27 -0.04 0.92 3.57 -1.89 -1.21 116.94 119.23 3led h PHE 57 Ca 0.21 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 3led h PHE 57 Cb -0.01 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 3led h PHE 57 CO -0.05 0.15 0.01 0.82 -2.23 0.00 0.00 178.31 177.01 3led h ILE 58 N 0.31 1.16 -0.54 1.41 2.04 -1.12 -0.91 117.51 119.85 3led h ILE 58 Ca 0.12 -0.48 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 3led h ILE 58 Cb 0.03 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3led h ILE 58 CO -0.08 0.13 -0.00 -0.08 0.00 0.00 0.00 178.15 178.13 3led h GLU 59 N -0.12 0.92 -0.36 2.37 4.81 -0.99 -2.03 114.58 119.18 3led h GLU 59 Ca 0.01 -0.27 -0.13 0.00 -0.13 0.00 0.00 59.36 58.84 3led h GLU 59 Cb 0.20 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3led h GLU 59 CO -0.00 0.92 -0.32 0.87 -0.73 0.00 0.00 179.01 179.75 3led h LYS 60 N 0.85 0.78 0.00 1.92 1.57 -1.13 0.15 116.57 120.71 3led h LYS 60 Ca 0.16 -0.36 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 3led h LYS 60 Cb 0.50 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3led h LYS 60 CO 0.02 0.99 -0.30 0.00 -0.57 0.00 0.00 179.45 179.59 3led h ALA 61 N 0.98 1.14 0.00 3.86 0.00 -0.84 -3.41 119.26 120.99 3led h ALA 61 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3led h ALA 61 Cb 0.85 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3led h ALA 61 CO 0.07 0.38 0.00 -1.13 0.00 0.00 0.00 179.25 178.57 3led n SER 62 N -3.66 0.00 0.00 0.00 3.41 -0.79 -4.84 113.62 107.74 3led n SER 62 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3led n SER 62 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3led n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3led n GLY 63 N 0.01 0.96 3.73 5.00 0.00 0.50 -0.93 105.19 114.46 3led n GLY 63 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3led n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3led s ILE 64 N -3.83 4.05 -0.01 -0.61 1.01 -1.26 -4.09 121.20 116.45 3led s ILE 64 Ca 0.00 1.71 0.01 0.00 0.00 0.00 0.00 60.65 62.38 3led s ILE 64 Cb 0.00 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 3led s ILE 64 CO 0.00 0.27 0.04 0.29 0.00 0.00 0.00 174.94 175.53 3led n LYS 65 N 2.65 1.27 -3.75 2.79 5.02 -0.40 -4.07 118.16 121.67 3led n LYS 65 Ca 0.03 -0.01 -0.05 0.00 -2.02 0.00 0.00 58.31 56.26 3led n LYS 65 Cb 0.47 -0.95 -0.02 0.00 -0.02 0.00 0.00 35.03 34.52 3led n LYS 65 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3led s SER 66 N -1.97 -0.22 -0.01 4.39 0.15 -0.66 -1.48 113.70 113.90 3led s SER 66 Ca -0.00 -0.42 -0.17 0.00 0.70 0.00 0.00 55.95 56.05 3led s SER 66 Cb 0.01 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 64.89 3led s SER 66 CO 0.06 -0.99 0.37 0.00 1.20 0.00 0.00 173.24 173.88 3led s ARG 67 N -3.44 0.76 0.22 5.44 3.03 -0.88 -2.79 118.95 121.28 3led s ARG 67 Ca 0.11 -0.17 -0.14 0.00 2.03 0.00 0.00 55.73 57.57 3led s ARG 67 Cb -0.02 0.34 -0.08 0.00 -1.03 0.00 0.00 34.95 34.16 3led s ARG 67 CO 0.02 -0.22 0.61 0.71 -1.13 0.00 0.00 175.30 175.29 3led s TYR 68 N -1.51 3.51 0.02 5.89 2.02 -1.25 -0.60 117.35 125.43 3led s TYR 68 Ca -0.12 1.08 0.01 0.00 -0.37 0.00 0.00 57.07 57.67 3led s TYR 68 Cb -0.04 -2.40 -0.02 0.00 -0.40 0.00 0.00 41.96 39.11 3led s TYR 68 CO 0.04 0.30 -0.06 0.14 -1.57 0.00 0.00 175.55 174.41 3led s VAL 69 N -1.68 0.38 0.07 0.71 -7.23 -0.45 -0.79 120.40 111.40 3led s VAL 69 Ca 0.45 -0.73 0.19 0.00 -1.81 0.00 0.00 61.98 60.07 3led s VAL 69 Cb -0.13 -0.42 0.13 0.00 0.56 0.00 0.00 36.38 36.52 3led s VAL 69 CO 0.20 -0.24 1.67 -0.37 -0.31 0.00 0.00 175.10 176.04 3led h VAL 70 N 4.72 0.82 -2.14 1.32 -1.51 -1.92 -3.38 116.25 114.16 3led h VAL 70 Ca -0.32 -1.65 -0.40 0.00 -1.23 0.00 0.00 66.70 63.10 3led h VAL 70 Cb 1.20 2.04 -0.33 0.00 -2.13 0.00 0.00 31.29 32.07 3led h VAL 70 CO 0.44 0.38 -0.70 0.00 -1.23 0.00 0.00 177.57 176.46 3led s ALA 71 N -3.43 -0.18 0.07 5.19 0.00 -1.26 -5.00 121.76 117.14 3led s ALA 71 Ca 0.01 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 50.89 3led s ALA 71 Cb 0.10 -1.88 -0.18 0.00 0.00 0.00 0.00 23.12 21.16 3led s ALA 71 CO 0.69 -1.99 1.24 -0.22 0.00 0.00 0.00 175.76 175.49 3led h LYS 72 N 7.47 0.65 -0.75 0.00 3.64 -1.94 -3.40 116.57 122.25 3led h LYS 72 Ca -0.01 -0.56 0.12 0.00 -1.27 0.00 0.00 60.65 58.92 3led h LYS 72 Cb 1.05 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.91 3led h LYS 72 CO 0.26 1.18 0.35 -1.35 -2.27 0.00 0.00 179.45 177.62 3led h PRO 73 N 0.30 0.54 0.00 1.90 0.11 -1.95 -0.90 132.00 132.00 3led h PRO 73 Ca -0.06 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 3led h PRO 73 Cb 1.34 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3led h PRO 73 CO 0.14 0.36 -0.30 0.78 -0.21 0.00 0.00 178.00 178.77 3led h GLY 74 N 0.56 0.00 2.00 -0.55 0.00 -1.77 -2.79 103.07 100.52 3led h GLY 74 Ca 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.65 3led h GLY 74 CO -0.33 0.00 -0.35 -2.22 0.00 0.00 0.00 176.54 173.64 3led h ILE 75 N 0.00 0.81 -0.50 2.60 2.04 -1.07 -2.86 117.51 118.53 3led h ILE 75 Ca -0.00 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.39 3led h ILE 75 Cb 0.59 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 3led h ILE 75 CO 0.04 0.34 0.00 1.33 0.00 0.00 0.00 178.15 179.86 3led n VAL 76 N -3.49 1.44 -3.76 1.67 0.24 -1.07 -4.76 118.33 108.59 3led n VAL 76 Ca -0.00 -1.19 -0.37 0.00 -2.04 0.00 0.00 64.34 60.74 3led n VAL 76 Cb 0.50 0.28 -0.13 0.00 -1.47 0.00 0.00 33.84 33.03 3led n VAL 76 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3led s ASP 77 N -1.11 5.13 0.44 -1.34 -1.08 -1.09 -4.76 116.67 112.87 3led s ASP 77 Ca 0.40 -0.70 0.30 0.00 -0.52 0.00 0.00 52.55 52.02 3led s ASP 77 Cb 0.24 -1.88 1.59 0.00 -1.46 0.00 0.00 42.92 41.41 3led s ASP 77 CO 0.21 -0.19 1.92 -0.65 0.52 0.00 0.00 175.17 176.98 3led h PRO 78 N 8.23 0.00 -0.12 4.34 0.11 -1.86 -0.31 132.00 142.40 3led h PRO 78 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3led h PRO 78 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3led h PRO 78 CO 0.60 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.14 3led n ASP 79 N -2.58 2.01 0.00 -2.05 8.00 -1.26 -4.69 116.55 115.98 3led n ASP 79 Ca -0.02 -1.71 0.00 0.00 0.71 0.00 0.00 54.79 53.78 3led n ASP 79 Cb 0.08 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3led n ASP 79 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3led n VAL 80 N 0.55 0.00 0.00 2.53 0.31 -0.13 -5.21 118.33 116.38 3led n VAL 80 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 3led n VAL 80 Cb 0.41 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.34 3led n VAL 80 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3led n ARG 82 N 0.00 0.00 -2.14 5.55 1.85 -1.10 -5.00 116.66 115.82 3led n ARG 82 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.48 3led n ARG 82 Cb 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.42 3led n ARG 82 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 3led s PRO 83 N -2.23 3.45 -0.28 2.89 0.02 -1.26 -3.03 135.00 134.57 3led s PRO 83 Ca 0.00 1.83 -0.04 0.00 0.02 0.00 0.00 61.00 62.81 3led s PRO 83 Cb 0.00 -2.23 0.02 0.00 0.02 0.00 0.00 34.50 32.31 3led s PRO 83 CO 0.00 -0.82 0.01 0.42 -0.33 0.00 0.00 177.00 176.29 3led s ILE 84 N -1.55 3.38 -0.39 2.83 1.01 -1.26 -4.96 121.20 120.25 3led s ILE 84 Ca 0.69 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 60.39 3led s ILE 84 Cb -0.30 -2.77 0.13 0.00 0.01 0.00 0.00 42.46 39.53 3led s ILE 84 CO 0.35 0.08 0.21 -0.63 0.00 0.00 0.00 174.94 174.95 3led s ILE 85 N 1.39 0.86 0.52 2.92 1.01 -1.26 -4.93 121.20 121.71 3led s ILE 85 Ca 0.00 -2.08 -0.22 0.00 0.00 0.00 0.00 60.65 58.35 3led s ILE 85 Cb -0.17 -1.62 -0.06 0.00 0.01 0.00 0.00 42.46 40.62 3led s ILE 85 CO -0.01 -0.90 1.29 -2.65 0.00 0.00 0.00 174.94 172.67 3led n PRO 86 N 3.92 1.64 -2.27 2.79 -0.02 -1.26 -4.93 135.00 134.87 3led n PRO 86 Ca 0.08 0.60 -0.37 0.00 -2.02 0.00 0.00 63.50 61.79 3led n PRO 86 Cb 0.36 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.35 3led n PRO 86 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3led s GLU 87 N -2.71 3.82 0.09 -0.52 2.02 -1.26 -5.05 118.70 115.10 3led s GLU 87 Ca 0.70 1.78 -0.01 0.00 0.02 0.00 0.00 54.97 57.46 3led s GLU 87 Cb -0.44 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 3led s GLU 87 CO 0.51 -0.50 0.26 1.03 0.02 0.00 0.00 175.26 176.58 3led s ARG 88 N -2.62 3.49 0.77 1.61 0.52 -1.26 -5.09 118.95 116.37 3led s ARG 88 Ca 0.62 -0.35 -0.12 0.00 -0.52 0.00 0.00 55.73 55.37 3led s ARG 88 Cb -0.29 -2.98 0.06 0.00 0.52 0.00 0.00 34.95 32.27 3led s ARG 88 CO 0.35 0.56 1.12 -1.54 0.02 0.00 0.00 175.30 175.81 3led s SER 89 N -2.54 4.27 0.58 0.23 1.04 -1.26 -4.89 113.70 111.13 3led s SER 89 Ca 0.37 1.99 0.28 0.00 0.48 0.00 0.00 55.95 59.06 3led s SER 89 Cb -0.13 -2.54 1.60 0.00 0.10 0.00 0.00 66.02 65.05 3led s SER 89 CO 0.27 -2.20 2.07 0.78 0.98 0.00 0.00 173.24 175.15 3led h ASN 90 N -0.97 0.00 0.89 7.02 2.35 -2.00 -1.96 115.58 120.91 3led h ASN 90 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 3led h ASN 90 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 3led h ASN 90 CO 0.50 0.00 0.00 0.44 -1.65 0.00 0.00 177.43 176.72 3led h ASP 91 N 0.00 0.00 -3.01 5.81 3.32 -2.06 -3.44 116.42 117.04 3led h ASP 91 Ca 0.11 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.62 3led h ASP 91 Cb 0.58 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3led h ASP 91 CO -0.00 0.00 -0.28 -1.61 -1.72 0.00 0.00 179.24 175.63 3led s GLU 92 N -3.70 3.57 0.19 3.56 2.02 -0.74 -5.06 118.70 118.56 3led s GLU 92 Ca 0.01 -0.19 -0.32 0.00 0.02 0.00 0.00 54.97 54.49 3led s GLU 92 Cb 0.09 -2.80 -0.11 0.00 0.10 0.00 0.00 34.13 31.42 3led s GLU 92 CO 0.52 0.38 1.65 -1.17 0.02 0.00 0.00 175.26 176.65 3led s LEU 93 N -3.19 4.37 0.74 1.80 2.96 -1.26 -4.91 118.68 119.18 3led s LEU 93 Ca 0.40 2.76 -0.13 0.00 -0.22 0.00 0.00 54.13 56.94 3led s LEU 93 Cb -0.11 -3.60 0.05 0.00 0.50 0.00 0.00 46.19 43.02 3led s LEU 93 CO 0.28 -0.90 1.12 -0.94 -1.32 0.00 0.00 176.35 174.59 3led s SER 94 N 1.13 4.48 0.25 3.68 1.04 -1.26 -4.79 113.70 118.23 3led s SER 94 Ca 0.72 2.00 -0.06 0.00 0.48 0.00 0.00 55.95 59.09 3led s SER 94 Cb -0.47 -2.55 0.27 0.00 0.10 0.00 0.00 66.02 63.37 3led s SER 94 CO 0.32 -2.05 1.89 -0.29 0.98 0.00 0.00 173.24 174.09 3led h ILE 95 N -0.71 1.25 -0.27 -1.02 2.10 -1.99 0.53 117.51 117.40 3led h ILE 95 Ca -0.45 -0.57 -0.13 0.00 1.08 0.00 0.00 64.86 64.79 3led h ILE 95 Cb 1.25 -0.01 -0.00 0.00 -1.09 0.00 0.00 36.82 36.96 3led h ILE 95 CO 0.51 0.27 -0.33 0.25 -1.08 0.00 0.00 178.15 177.76 3led h LEU 96 N 1.25 0.76 -1.17 2.19 5.85 -2.00 -3.01 115.31 119.18 3led h LEU 96 Ca 0.32 -0.50 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 3led h LEU 96 Cb -0.03 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 3led h LEU 96 CO -0.06 1.10 0.07 0.00 -0.34 0.00 0.00 178.44 179.21 3led h ALA 97 N 0.68 1.33 0.00 1.25 0.00 -1.86 -2.72 119.26 117.93 3led h ALA 97 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3led h ALA 97 Cb 0.92 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3led h ALA 97 CO 0.08 0.47 0.00 -1.91 0.00 0.00 0.00 179.25 177.89 3led n GLU 98 N -4.29 0.00 0.00 0.00 2.13 0.15 -0.64 120.64 118.00 3led n GLU 98 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 3led n GLU 98 Cb 0.23 -1.02 0.00 0.00 0.27 0.00 0.00 31.44 30.91 3led n GLU 98 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3led n ALA 100 N 0.53 0.00 -0.17 4.31 0.00 -1.03 -1.77 120.51 122.38 3led n ALA 100 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3led n ALA 100 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 3led n ALA 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3led h VAL 101 N 0.00 1.23 -0.28 0.00 2.07 -1.17 0.79 116.25 118.90 3led h VAL 101 Ca 0.00 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3led h VAL 101 Cb 0.00 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3led h VAL 101 CO 0.00 0.28 0.13 0.74 0.02 0.00 0.00 177.57 178.73 3led h THR 102 N 0.67 1.16 -0.87 2.57 2.02 -1.61 0.82 112.91 117.67 3led h THR 102 Ca 0.16 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 3led h THR 102 Cb 0.26 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 3led h THR 102 CO -0.01 0.16 0.44 0.00 0.37 0.00 0.00 175.52 176.48 3led h ALA 103 N 0.98 1.13 -0.45 6.16 0.00 -1.79 -2.65 119.26 122.64 3led h ALA 103 Ca 0.09 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3led h ALA 103 Cb 0.14 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3led h ALA 103 CO -0.01 0.67 -0.15 0.00 0.00 0.00 0.00 179.25 179.76 3led h ALA 104 N 1.24 0.90 -0.59 0.00 0.00 -0.49 -2.41 119.26 117.91 3led h ALA 104 Ca 0.30 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3led h ALA 104 Cb 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3led h ALA 104 CO -0.04 0.63 0.24 0.93 0.00 0.00 0.00 179.25 181.01 3led h GLU 105 N 0.75 0.85 -0.41 0.00 4.39 -0.63 0.80 114.58 120.33 3led h GLU 105 Ca 0.12 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 3led h GLU 105 Cb 0.66 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 3led h GLU 105 CO 0.05 0.70 0.15 0.37 -1.16 0.00 0.00 179.01 179.11 3led h GLN 106 N 0.84 0.63 -0.49 2.33 4.15 -1.13 -1.12 115.11 120.33 3led h GLN 106 Ca 0.20 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 3led h GLN 106 Cb 0.16 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 3led h GLN 106 CO -0.02 0.61 0.26 0.00 -1.93 0.00 0.00 178.83 177.75 3led h ALA 107 N 0.99 0.62 -0.71 3.38 0.00 -0.94 -1.48 119.26 121.13 3led h ALA 107 Ca 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3led h ALA 107 Cb 0.23 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3led h ALA 107 CO -0.01 0.15 0.38 0.82 0.00 0.00 0.00 179.25 180.59 3led h ILE 108 N 0.64 1.22 -0.38 0.00 2.04 -0.70 -0.02 117.51 120.32 3led h ILE 108 Ca 0.17 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 3led h ILE 108 Cb 0.06 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 3led h ILE 108 CO -0.03 0.25 0.16 -0.08 0.00 0.00 0.00 178.15 178.45 3led h GLU 109 N 0.97 0.55 -0.58 2.37 4.22 -1.03 -1.13 114.58 119.96 3led h GLU 109 Ca 0.25 -0.09 -0.02 0.00 0.08 0.00 0.00 59.36 59.57 3led h GLU 109 Cb 0.06 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3led h GLU 109 CO -0.04 0.52 0.28 0.00 -2.18 0.00 0.00 179.01 177.58 3led h ARG 110 N 0.46 0.84 -0.42 1.92 3.08 -1.02 -2.94 114.38 116.31 3led h ARG 110 Ca 0.13 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 60.07 3led h ARG 110 Cb 0.16 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3led h ARG 110 CO -0.01 0.69 0.24 2.35 -1.07 0.00 0.00 179.97 182.17 3led h TRP 111 N 0.79 0.45 0.00 3.04 7.01 -0.76 -3.47 115.95 123.02 3led h TRP 111 Ca 0.20 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.21 3led h TRP 111 Cb 0.13 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.04 3led h TRP 111 CO -0.00 0.26 0.00 0.41 -2.79 0.00 0.00 178.44 176.32 3led n GLY 112 N -1.22 1.81 3.91 2.65 0.00 -0.45 -5.03 105.19 106.87 3led n GLY 112 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 3led n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3led s LYS 113 N -0.18 3.55 0.25 1.61 1.02 -1.26 -5.03 119.74 119.70 3led s LYS 113 Ca 0.00 0.05 -0.31 0.00 0.02 0.00 0.00 55.97 55.73 3led s LYS 113 Cb 0.00 -2.49 -0.12 0.00 -0.52 0.00 0.00 37.83 34.71 3led s LYS 113 CO 0.00 -0.05 1.65 -2.14 -0.92 0.00 0.00 175.35 173.89 3led s PRO 114 N -4.43 4.13 0.13 -1.68 0.02 -1.26 -4.86 135.00 127.04 3led s PRO 114 Ca 0.45 2.58 0.15 0.00 0.02 0.00 0.00 61.00 64.20 3led s PRO 114 Cb -0.10 -3.05 0.68 0.00 0.02 0.00 0.00 34.50 32.04 3led s PRO 114 CO 0.40 -0.68 1.46 2.89 -0.33 0.00 0.00 177.00 180.73 3led n ARG 115 N 3.09 0.08 0.32 5.54 1.85 -1.26 -1.61 116.66 124.67 3led n ARG 115 Ca 0.12 0.44 0.21 0.00 -1.00 0.00 0.00 57.85 57.61 3led n ARG 115 Cb 0.36 -1.69 1.06 0.00 -1.05 0.00 0.00 32.46 31.14 3led n ARG 115 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 3led h GLU 116 N 0.00 0.00 0.00 2.89 4.11 -1.91 -1.62 114.58 118.05 3led h GLU 116 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 3led h GLU 116 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3led h GLU 116 CO 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 179.01 179.05 3led h ARG 117 N 0.00 0.00 -6.25 1.06 3.08 -1.67 -3.43 114.38 107.17 3led h ARG 117 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3led h ARG 117 Cb 0.15 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3led h ARG 117 CO 0.00 0.04 0.82 0.42 -1.07 0.00 0.00 179.97 180.17 3led s ILE 118 N -3.75 4.18 -0.55 2.04 1.01 -0.61 -3.42 121.20 120.10 3led s ILE 118 Ca 0.00 1.48 0.13 0.00 0.00 0.00 0.00 60.65 62.25 3led s ILE 118 Cb 0.10 -3.95 -0.14 0.00 0.01 0.00 0.00 42.46 38.47 3led s ILE 118 CO 0.54 -0.06 0.52 0.61 0.00 0.00 0.00 174.94 176.55 3led n GLY 119 N 3.53 -0.24 3.15 6.18 0.00 -0.35 -4.44 105.19 113.03 3led n GLY 119 Ca 0.13 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 3led n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3led s ALA 120 N -2.26 -0.55 -0.14 4.61 0.00 -1.23 -2.13 121.76 120.05 3led s ALA 120 Ca 0.04 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.36 3led s ALA 120 Cb 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.11 3led s ALA 120 CO 0.52 -0.18 -0.22 0.08 0.00 0.00 0.00 175.76 175.97 3led s VAL 121 N -0.71 2.03 -0.22 0.00 1.01 -0.54 -1.13 120.40 120.84 3led s VAL 121 Ca -0.08 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 3led s VAL 121 Cb -0.04 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 3led s VAL 121 CO 0.02 0.54 -0.00 -0.76 0.00 0.00 0.00 175.10 174.90 3led s LEU 122 N 0.82 3.12 -0.46 3.92 1.43 -0.00 -1.75 118.68 125.76 3led s LEU 122 Ca -0.07 -0.30 -0.16 0.00 -1.03 0.00 0.00 54.13 52.57 3led s LEU 122 Cb -0.15 -1.81 0.05 0.00 0.03 0.00 0.00 46.19 44.31 3led s LEU 122 CO -0.02 -0.00 0.43 0.00 0.23 0.00 0.00 176.35 176.99 3led s ALA 124 N 1.92 2.72 0.33 0.00 0.00 -0.18 -4.33 121.76 122.22 3led s ALA 124 Ca 0.08 -2.26 -0.18 0.00 0.00 0.00 0.00 51.96 49.60 3led s ALA 124 Cb -0.21 -1.84 0.05 0.00 0.00 0.00 0.00 23.12 21.12 3led s ALA 124 CO 0.09 -1.54 0.81 0.00 0.00 0.00 0.00 175.76 175.12 3led n SER 126 N -1.17 0.33 -0.98 0.00 3.41 -1.26 -4.34 113.62 109.60 3led n SER 126 Ca -0.07 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 3led n SER 126 Cb 0.60 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 3led n SER 126 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3led n ASN 127 N -1.70 0.00 -0.03 4.04 2.85 -1.26 -4.76 115.26 114.40 3led n ASN 127 Ca 0.06 -0.98 -0.03 0.00 -0.11 0.00 0.00 54.58 53.52 3led n ASN 127 Cb 0.37 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.35 3led n ASN 127 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 3led n GLN 129 N 0.00 2.11 -4.19 1.20 7.27 -1.26 -4.90 117.38 117.61 3led n GLN 129 Ca 0.00 0.01 -0.13 0.00 0.07 0.00 0.00 57.00 56.95 3led n GLN 129 Cb 0.00 -1.14 -0.10 0.00 2.41 0.00 0.00 30.24 31.40 3led n GLN 129 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3led s ARG 130 N -2.14 0.90 0.07 3.69 0.52 -1.26 -5.06 118.95 115.67 3led s ARG 130 Ca -0.05 -1.28 -0.15 0.00 -0.52 0.00 0.00 55.73 53.73 3led s ARG 130 Cb 0.02 -0.46 -0.21 0.00 0.52 0.00 0.00 34.95 34.82 3led s ARG 130 CO 0.21 0.05 1.21 0.00 0.02 0.00 0.00 175.30 176.79 3led h ALA 131 N 3.19 0.17 -2.01 2.13 0.00 -2.03 -3.47 119.26 117.24 3led h ALA 131 Ca -0.36 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 53.85 3led h ALA 131 Cb 1.18 0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.81 3led h ALA 131 CO 0.59 0.62 0.16 1.52 0.00 0.00 0.00 179.25 182.14 3led s TYR 132 N -3.45 -0.68 0.58 0.00 -0.85 -1.26 -4.30 117.35 107.38 3led s TYR 132 Ca -0.11 1.32 -0.19 0.00 -0.52 0.00 0.00 57.07 57.57 3led s TYR 132 Cb 0.07 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 3led s TYR 132 CO 0.90 -0.55 1.21 -1.25 -1.52 0.00 0.00 175.55 174.34 3led s PRO 133 N -0.79 3.04 0.00 -3.49 0.04 -1.26 -5.21 135.00 127.33 3led s PRO 133 Ca -0.08 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.80 3led s PRO 133 Cb -0.01 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3led s PRO 133 CO 0.08 -1.16 0.00 0.00 0.04 0.00 0.00 177.00 175.96 3led n ALA 134 N -1.49 0.00 0.00 8.56 0.00 -1.26 -4.86 120.51 121.47 3led n ALA 134 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3led n ALA 134 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3led n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3led n ALA 136 N -3.00 0.00 -0.03 0.00 0.00 -1.26 -1.99 120.51 114.23 3led n ALA 136 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3led n ALA 136 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3led n ALA 136 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3led h ILE 137 N 0.00 1.29 -0.67 0.00 2.04 -1.90 0.44 117.51 118.71 3led h ILE 137 Ca 0.00 -1.90 0.01 0.00 1.00 0.00 0.00 64.86 63.97 3led h ILE 137 Cb 0.00 1.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 3led h ILE 137 CO 0.00 0.60 0.44 -0.08 0.00 0.00 0.00 178.15 179.11 3led h GLU 138 N 0.54 0.87 -0.18 2.37 4.81 -1.73 -0.57 114.58 120.68 3led h GLU 138 Ca -0.02 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3led h GLU 138 Cb 1.29 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 3led h GLU 138 CO 0.14 0.57 0.04 0.28 -0.73 0.00 0.00 179.01 179.31 3led h VAL 139 N 0.89 1.21 -0.55 0.32 2.07 -1.82 -1.28 116.25 117.10 3led h VAL 139 Ca 0.25 -0.68 0.11 0.00 0.82 0.00 0.00 66.70 67.20 3led h VAL 139 Cb -0.08 1.32 -0.09 0.00 -1.52 0.00 0.00 31.29 30.92 3led h VAL 139 CO -0.06 0.21 0.04 -0.61 0.02 0.00 0.00 177.57 177.16 3led h GLN 140 N 0.10 0.15 -0.37 1.57 4.15 -0.64 -0.36 115.11 119.71 3led h GLN 140 Ca 0.06 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.40 3led h GLN 140 Cb 0.28 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 3led h GLN 140 CO 0.00 0.10 -0.04 -0.97 -1.93 0.00 0.00 178.83 175.99 3led h ASN 141 N 0.16 0.67 -0.21 -0.69 -1.24 -0.99 -0.70 115.58 112.58 3led h ASN 141 Ca 0.28 -0.33 -0.04 0.00 0.71 0.00 0.00 56.30 56.91 3led h ASN 141 Cb 0.43 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.28 3led h ASN 141 CO -0.43 0.85 0.01 0.00 -1.29 0.00 0.00 177.43 176.57 3led h ALA 142 N 0.85 1.42 -0.00 1.57 0.00 -0.68 -1.77 119.26 120.65 3led h ALA 142 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3led h ALA 142 Cb 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3led h ALA 142 CO 0.03 0.41 -0.07 1.28 0.00 0.00 0.00 179.25 180.90 3led n LEU 143 N -4.30 0.31 -1.60 0.00 4.77 -0.20 -4.94 117.00 111.05 3led n LEU 143 Ca 0.01 0.08 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 3led n LEU 143 Cb 0.23 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 3led n LEU 143 CO 0.38 0.06 -0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3led n GLY 144 N 1.25 0.09 3.91 -0.72 0.00 -0.66 -5.03 105.19 104.03 3led n GLY 144 Ca 0.15 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 3led n GLY 144 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3led s LEU 145 N -3.53 4.25 0.00 0.99 1.43 -0.32 -4.91 118.68 116.58 3led s LEU 145 Ca 0.15 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 3led s LEU 145 Cb -0.06 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 42.93 3led s LEU 145 CO 0.18 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.38 3led n GLY 146 N -0.25 0.56 7.00 -3.19 0.00 -1.26 -4.67 105.19 103.38 3led n GLY 146 Ca -0.04 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3led n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3led n GLY 147 N 5.00 0.41 3.38 -0.02 0.00 -1.26 -4.72 105.19 107.97 3led n GLY 147 Ca 0.00 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.91 3led n GLY 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3led s PHE 148 N 0.00 1.73 -0.11 1.61 -0.12 -0.90 -5.01 117.98 115.17 3led s PHE 148 Ca 0.00 -1.07 -0.24 0.00 -0.05 0.00 0.00 56.93 55.57 3led s PHE 148 Cb 0.00 -1.07 0.06 0.00 -0.63 0.00 0.00 43.02 41.38 3led s PHE 148 CO 0.00 -0.17 0.57 0.00 -0.05 0.00 0.00 175.22 175.57 3led s ALA 149 N -3.54 -1.46 0.18 1.99 0.00 -1.26 -1.46 121.76 116.20 3led s ALA 149 Ca 0.37 1.25 -0.16 0.00 0.00 0.00 0.00 51.96 53.42 3led s ALA 149 Cb 0.08 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.88 3led s ALA 149 CO 0.14 -0.32 0.47 -0.59 0.00 0.00 0.00 175.76 175.47 3led s PHE 150 N -0.66 -0.08 0.58 0.00 -0.12 -0.72 -4.67 117.98 112.32 3led s PHE 150 Ca -0.07 -0.26 0.08 0.00 -0.05 0.00 0.00 56.93 56.62 3led s PHE 150 Cb -0.03 0.31 0.09 0.00 -0.63 0.00 0.00 43.02 42.76 3led s PHE 150 CO 0.05 -0.85 0.81 -0.51 -0.05 0.00 0.00 175.22 174.67 3led s ASP 151 N -2.87 5.04 0.00 1.98 1.01 -1.26 -1.63 116.67 118.94 3led s ASP 151 Ca 0.09 -0.75 0.00 0.00 0.71 0.00 0.00 52.55 52.60 3led s ASP 151 Cb 0.00 0.19 0.00 0.00 1.01 0.00 0.00 42.92 44.12 3led s ASP 151 CO -0.05 -1.37 0.00 -3.20 0.21 0.00 0.00 175.17 170.76 3led n ASN 153 N -2.30 0.00 -2.46 0.27 2.85 -1.26 -4.95 115.26 107.41 3led n ASN 153 Ca 0.15 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.50 3led n ASN 153 Cb 0.61 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.67 3led n ASN 153 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 3led n VAL 154 N 0.00 1.84 0.00 3.44 3.14 -1.26 -5.03 118.33 120.46 3led n VAL 154 Ca 0.00 -3.55 0.00 0.00 -2.96 0.00 0.00 64.34 57.83 3led n VAL 154 Cb 0.00 0.14 0.00 0.00 -1.06 0.00 0.00 33.84 32.92 3led n VAL 154 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3led n ALA 155 N -0.63 0.00 0.30 1.55 0.00 -1.26 -1.70 120.51 118.77 3led n ALA 155 Ca 0.24 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.87 3led n ALA 155 Cb 0.87 0.00 1.00 0.00 0.00 0.00 0.00 19.45 21.32 3led n ALA 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3led n SER 157 N -3.39 4.15 0.16 0.00 7.64 -0.69 -3.86 113.62 117.63 3led n SER 157 Ca -0.02 -2.26 0.05 0.00 1.01 0.00 0.00 58.87 57.66 3led n SER 157 Cb 0.18 -0.49 0.52 0.00 -1.01 0.00 0.00 64.21 63.41 3led n SER 157 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3led h SER 158 N 3.67 0.16 0.19 6.43 0.02 -1.17 -1.27 113.55 121.58 3led h SER 158 Ca 0.00 -0.01 -0.23 0.00 -0.84 0.00 0.00 61.79 60.70 3led h SER 158 Cb 1.18 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.69 3led h SER 158 CO 0.12 0.19 -0.94 0.00 -1.14 0.00 0.00 176.83 175.05 3led h ALA 159 N 1.84 0.31 -0.10 3.77 0.00 -1.80 0.94 119.26 124.22 3led h ALA 159 Ca 0.04 -0.69 -0.19 0.00 0.00 0.00 0.00 54.91 54.08 3led h ALA 159 Cb 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3led h ALA 159 CO 0.00 0.76 -0.73 1.79 0.00 0.00 0.00 179.25 181.07 3led h THR 160 N 0.31 1.35 -0.37 0.00 1.35 -1.82 -0.20 112.91 113.53 3led h THR 160 Ca -0.09 -2.08 -0.10 0.00 -0.55 0.00 0.00 66.41 63.60 3led h THR 160 Cb 1.57 2.06 -0.02 0.00 -1.73 0.00 0.00 68.15 70.04 3led h THR 160 CO 0.17 0.63 -0.16 -0.26 -0.25 0.00 0.00 175.52 175.65 3led h PHE 161 N 0.35 0.76 -0.61 4.73 -1.00 -1.24 -1.75 116.94 118.18 3led h PHE 161 Ca -0.03 -0.15 -0.08 0.00 2.81 0.00 0.00 57.97 60.52 3led h PHE 161 Cb 1.31 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 40.66 3led h PHE 161 CO 0.05 0.81 0.07 0.78 -1.61 0.00 0.00 178.31 178.41 3led h GLY 162 N 0.98 1.11 1.01 -1.45 0.00 -0.65 -1.20 103.07 102.88 3led h GLY 162 Ca 0.10 -0.76 -0.04 0.00 0.00 0.00 0.00 47.33 46.62 3led h GLY 162 CO 0.04 0.71 0.23 1.41 0.00 0.00 0.00 176.54 178.93 3led h LEU 163 N 0.93 0.91 -0.41 3.11 3.38 -0.75 0.07 115.31 122.56 3led h LEU 163 Ca 0.18 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3led h LEU 163 Cb 0.47 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3led h LEU 163 CO 0.02 0.86 0.26 0.50 0.09 0.00 0.00 178.44 180.16 3led h LYS 164 N 0.92 0.50 -0.25 1.13 3.11 -1.17 -0.24 116.57 120.57 3led h LYS 164 Ca 0.21 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 58.01 3led h LYS 164 Cb 0.26 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.36 3led h LYS 164 CO -0.01 0.33 0.12 1.15 -2.81 0.00 0.00 179.45 178.23 3led h THR 165 N 0.52 1.15 -0.71 1.00 2.02 -0.99 -0.89 112.91 115.01 3led h THR 165 Ca 0.16 -0.43 0.04 0.00 0.77 0.00 0.00 66.41 66.94 3led h THR 165 Cb -0.03 0.98 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 3led h THR 165 CO -0.05 0.15 0.43 0.00 0.37 0.00 0.00 175.52 176.42 3led h ALA 166 N 0.97 0.93 -0.73 6.16 0.00 -0.81 -0.43 119.26 125.36 3led h ALA 166 Ca 0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3led h ALA 166 Cb 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3led h ALA 166 CO -0.01 0.19 0.25 0.00 0.00 0.00 0.00 179.25 179.67 3led h ALA 167 N 1.32 0.95 -0.41 0.00 0.00 -0.60 -0.17 119.26 120.35 3led h ALA 167 Ca 0.29 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3led h ALA 167 Cb 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3led h ALA 167 CO -0.13 0.61 -0.19 -0.44 0.00 0.00 0.00 179.25 179.10 3led h ASP 168 N 1.06 0.79 -0.14 0.00 3.32 -0.68 0.20 116.42 120.97 3led h ASP 168 Ca 0.24 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3led h ASP 168 Cb 0.28 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3led h ASP 168 CO -0.01 0.97 0.05 -0.26 -1.72 0.00 0.00 179.24 178.27 3led h PHE 169 N 0.69 0.21 -0.84 4.55 0.04 -0.68 -1.78 116.94 119.12 3led h PHE 169 Ca 0.10 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 3led h PHE 169 Cb 0.69 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.74 3led h PHE 169 CO 0.04 0.31 0.43 0.28 -0.60 0.00 0.00 178.31 178.77 3led h VAL 170 N 0.05 1.25 -0.34 -0.55 2.07 -0.98 -3.03 116.25 114.73 3led h VAL 170 Ca 0.04 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 3led h VAL 170 Cb 0.19 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 3led h VAL 170 CO -0.00 0.29 0.06 1.23 0.02 0.00 0.00 177.57 179.17 3led h GLY 171 N 1.21 0.54 0.77 2.17 0.00 -0.33 -2.60 103.07 104.82 3led h GLY 171 Ca 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3led h GLY 171 CO -0.04 0.27 -0.20 0.61 0.00 0.00 0.00 176.54 177.18 3led n GLY 172 N -1.04 -0.91 2.52 4.60 0.00 -0.70 -1.18 105.19 108.48 3led n GLY 172 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3led n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3led n GLY 173 N 1.34 0.98 0.24 -0.02 0.00 -0.98 -4.91 105.19 101.84 3led n GLY 173 Ca 0.12 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.30 3led n GLY 173 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3led h SER 174 N 0.00 0.00 -5.17 1.61 4.64 -1.83 -3.44 113.55 109.36 3led h SER 174 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3led h SER 174 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.94 3led h SER 174 CO 0.00 0.00 -0.54 0.68 -0.87 0.00 0.00 176.83 176.10 3led s VAL 175 N -3.60 0.17 -0.12 0.95 -7.23 -1.26 -5.05 120.40 104.27 3led s VAL 175 Ca 0.02 -1.43 0.20 0.00 -1.81 0.00 0.00 61.98 58.96 3led s VAL 175 Cb 0.09 -1.30 -0.23 0.00 0.56 0.00 0.00 36.38 35.50 3led s VAL 175 CO 0.49 -0.79 0.50 0.47 -0.31 0.00 0.00 175.10 175.46 3led n ASP 176 N 0.23 0.29 -3.63 4.85 8.00 -1.26 -4.47 116.55 120.57 3led n ASP 176 Ca -0.16 0.12 -0.16 0.00 0.71 0.00 0.00 54.79 55.31 3led n ASP 176 Cb 0.61 1.12 -0.07 0.00 -0.02 0.00 0.00 41.12 42.75 3led n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3led s ALA 177 N -3.06 -1.34 -0.05 2.24 0.00 -1.22 -3.27 121.76 115.06 3led s ALA 177 Ca -0.07 0.92 0.04 0.00 0.00 0.00 0.00 51.96 52.84 3led s ALA 177 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.21 3led s ALA 177 CO 0.85 -0.32 -0.15 0.08 0.00 0.00 0.00 175.76 176.22 3led s VAL 178 N -1.18 1.28 0.27 0.00 1.01 -0.04 -1.21 120.40 120.53 3led s VAL 178 Ca -0.12 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.29 3led s VAL 178 Cb -0.02 -1.12 0.04 0.00 0.00 0.00 0.00 36.38 35.28 3led s VAL 178 CO 0.07 0.38 0.37 -0.11 0.00 0.00 0.00 175.10 175.81 3led n LEU 179 N 3.33 0.00 -3.64 3.92 7.94 -0.29 -0.93 117.00 127.33 3led n LEU 179 Ca -0.19 -1.17 -0.06 0.00 -1.11 0.00 0.00 56.01 53.48 3led n LEU 179 Cb 0.53 -0.20 -0.07 0.00 0.53 0.00 0.00 43.42 44.22 3led n LEU 179 CO 0.25 -0.60 0.97 0.68 -1.11 0.00 0.00 177.39 177.58 3led s VAL 181 N -0.68 0.00 -0.59 1.96 -7.23 -0.01 -0.82 120.40 113.03 3led s VAL 181 Ca 0.28 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.50 3led s VAL 181 Cb -0.02 -1.00 0.19 0.00 0.56 0.00 0.00 36.38 36.11 3led s VAL 181 CO 0.18 0.00 0.50 0.59 -0.31 0.00 0.00 175.10 176.06 3led n ASN 182 N 1.63 2.00 -4.70 4.85 4.13 0.47 -1.00 115.26 122.63 3led n ASN 182 Ca -0.10 -2.99 -0.40 0.00 1.68 0.00 0.00 54.58 52.76 3led n ASN 182 Cb 0.57 -0.68 -0.04 0.00 -1.54 0.00 0.00 39.78 38.09 3led n ASN 182 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3led s PRO 183 N -1.23 4.41 -0.22 3.52 0.04 -1.26 -2.06 135.00 138.20 3led s PRO 183 Ca 0.31 0.99 -0.01 0.00 0.04 0.00 0.00 61.00 62.32 3led s PRO 183 Cb 0.03 -3.49 0.06 0.00 0.04 0.00 0.00 34.50 31.15 3led s PRO 183 CO -0.14 -0.06 0.01 -1.21 0.04 0.00 0.00 177.00 175.63 3led s GLU 184 N 1.21 0.98 -0.96 4.56 0.41 0.08 -4.68 118.70 120.30 3led s GLU 184 Ca 0.40 -0.67 -0.01 0.00 -0.41 0.00 0.00 54.97 54.27 3led s GLU 184 Cb -0.18 -2.26 0.29 0.00 -1.78 0.00 0.00 34.13 30.20 3led s GLU 184 CO 0.18 -0.66 1.27 -0.89 -0.49 0.00 0.00 175.26 174.66 3led n ILE 185 N 4.90 4.49 0.23 -1.63 5.41 -1.26 -1.41 119.36 130.09 3led n ILE 185 Ca -0.09 -5.72 0.09 0.00 1.00 0.00 0.00 62.75 58.03 3led n ILE 185 Cb 0.46 -2.10 0.53 0.00 -0.71 0.00 0.00 39.64 37.81 3led n ILE 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3led h SER 187 N 0.00 0.00 0.65 0.00 4.64 -1.82 -1.05 113.55 115.98 3led h SER 187 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3led h SER 187 Cb 0.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 3led h SER 187 CO 0.03 0.00 -0.17 1.23 -0.87 0.00 0.00 176.83 177.05 3led h GLY 188 N 0.00 0.00 -0.02 -0.77 0.00 -1.45 -3.25 103.07 97.59 3led h GLY 188 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3led h GLY 188 CO -0.00 0.00 -0.01 -2.39 0.00 0.00 0.00 176.54 174.14 3led n HIS 189 N -3.48 0.00 -3.30 5.60 1.44 -0.45 -5.01 115.22 110.02 3led n HIS 189 Ca -0.01 -0.65 -0.36 0.00 -2.01 0.00 0.00 57.72 54.70 3led n HIS 189 Cb 0.33 -0.08 -0.06 0.00 0.12 0.00 0.00 29.99 30.30 3led n HIS 189 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 3led s LEU 190 N -1.59 4.37 -0.75 2.39 2.96 -0.90 -0.97 118.68 124.19 3led s LEU 190 Ca 0.11 1.16 -0.20 0.00 -0.22 0.00 0.00 54.13 54.98 3led s LEU 190 Cb 0.09 -3.25 0.10 0.00 0.50 0.00 0.00 46.19 43.63 3led s LEU 190 CO 0.01 0.12 0.98 0.21 -1.32 0.00 0.00 176.35 176.35 3led s ASN 191 N -1.60 6.35 0.00 3.68 3.84 -1.26 -4.87 114.94 121.08 3led s ASN 191 Ca 0.37 -1.48 0.13 0.00 0.21 0.00 0.00 52.86 52.08 3led s ASN 191 Cb -0.16 -2.39 0.59 0.00 -0.55 0.00 0.00 41.25 38.74 3led s ASN 191 CO 0.19 -1.23 1.36 0.49 -2.79 0.00 0.00 177.10 175.12 3led n PHE 192 N 7.00 0.00 0.78 0.43 3.72 -1.26 -1.96 117.46 126.16 3led n PHE 192 Ca 0.06 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.57 3led n PHE 192 Cb 0.46 -0.39 0.27 0.00 -0.94 0.00 0.00 39.48 38.88 3led n PHE 192 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3led n ARG 193 N -1.39 2.17 -3.59 -1.08 1.74 -1.26 -4.81 116.66 108.44 3led n ARG 193 Ca 0.05 -1.76 -0.40 0.00 -0.77 0.00 0.00 57.85 54.96 3led n ARG 193 Cb 0.12 -1.46 -0.11 0.00 -1.02 0.00 0.00 32.46 29.99 3led n ARG 193 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3led s ASP 194 N -1.60 5.75 0.45 0.55 2.15 -0.83 -4.97 116.67 118.18 3led s ASP 194 Ca 0.35 -0.89 0.17 0.00 0.43 0.00 0.00 52.55 52.60 3led s ASP 194 Cb 0.20 -2.04 1.10 0.00 -0.30 0.00 0.00 42.92 41.88 3led s ASP 194 CO 0.30 -0.36 1.95 -0.09 -0.17 0.00 0.00 175.17 176.80 3led h ARG 195 N 8.44 0.34 0.00 4.34 2.43 -1.89 0.19 114.38 128.23 3led h ARG 195 Ca -0.27 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 3led h ARG 195 Cb 1.11 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3led h ARG 195 CO 0.67 0.22 0.00 -0.44 -1.51 0.00 0.00 179.97 178.91 3led h ASP 196 N 0.35 0.00 0.00 -3.80 3.32 -1.94 -3.35 116.42 111.00 3led h ASP 196 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3led h ASP 196 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3led h ASP 196 CO -0.09 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.89 3led n SER 197 N -2.43 0.05 0.24 6.45 3.41 -0.58 -4.90 113.62 115.86 3led n SER 197 Ca 0.03 -0.83 0.16 0.00 -0.26 0.00 0.00 58.87 57.97 3led n SER 197 Cb 0.32 0.01 0.72 0.00 -0.26 0.00 0.00 64.21 65.01 3led n SER 197 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 3led h HIS 198 N 0.00 0.00 -0.01 7.33 2.07 -0.81 -1.41 115.15 122.32 3led h HIS 198 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3led h HIS 198 Cb 0.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.37 3led h HIS 198 CO 0.00 0.00 -0.34 1.97 -3.07 0.00 0.00 177.93 176.49 3led n PHE 199 N -2.75 0.00 -0.05 6.12 1.16 -1.26 -4.67 117.46 116.01 3led n PHE 199 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.44 3led n PHE 199 Cb 0.21 -0.06 -0.12 0.00 -1.61 0.00 0.00 39.48 37.90 3led n PHE 199 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 3led h ILE 200 N 1.91 1.66 -3.08 1.97 2.04 -1.62 -3.45 117.51 116.93 3led h ILE 200 Ca 0.00 -2.03 -0.60 0.00 1.00 0.00 0.00 64.86 63.23 3led h ILE 200 Cb 0.63 3.02 -0.05 0.00 -0.74 0.00 0.00 36.82 39.69 3led h ILE 200 CO 0.00 0.53 -0.23 -0.36 0.00 0.00 0.00 178.15 178.09 3led s PHE 201 N -2.82 3.62 0.34 1.37 0.08 -1.26 -0.46 117.98 118.86 3led s PHE 201 Ca -0.18 0.85 0.08 0.00 0.12 0.00 0.00 56.93 57.80 3led s PHE 201 Cb -0.01 -2.20 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 3led s PHE 201 CO 0.70 0.55 0.28 0.41 -0.10 0.00 0.00 175.22 177.06 3led n GLY 202 N 1.17 2.92 3.44 4.36 0.00 -0.41 -4.62 105.19 112.04 3led n GLY 202 Ca -0.10 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.72 3led n GLY 202 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3led s ASP 203 N -3.36 3.62 -0.07 1.61 1.01 0.03 -3.45 116.67 116.07 3led s ASP 203 Ca 0.39 -0.61 -0.32 0.00 0.71 0.00 0.00 52.55 52.73 3led s ASP 203 Cb 0.02 -0.42 0.12 0.00 1.01 0.00 0.00 42.92 43.65 3led s ASP 203 CO 0.28 0.20 1.25 0.54 0.21 0.00 0.00 175.17 177.64 3led s VAL 204 N -1.05 0.00 0.01 -1.27 0.11 -0.50 -4.56 120.40 113.13 3led s VAL 204 Ca 0.16 -0.17 0.02 0.00 -2.93 0.00 0.00 61.98 59.06 3led s VAL 204 Cb -0.10 -1.67 -0.01 0.00 -1.53 0.00 0.00 36.38 33.07 3led s VAL 204 CO 0.07 0.00 -0.07 0.00 -3.33 0.00 0.00 175.10 171.78 3led s ALA 205 N -2.46 0.54 0.37 1.54 0.00 -0.65 -0.74 121.76 120.35 3led s ALA 205 Ca 0.12 -0.37 0.08 0.00 0.00 0.00 0.00 51.96 51.80 3led s ALA 205 Cb 0.03 -0.10 -0.07 0.00 0.00 0.00 0.00 23.12 22.98 3led s ALA 205 CO -0.04 0.10 -0.05 0.95 0.00 0.00 0.00 175.76 176.73 3led s THR 206 N -0.39 2.15 0.01 0.00 -4.23 -0.87 -0.47 115.64 111.84 3led s THR 206 Ca 0.00 -2.11 -0.14 0.00 -1.18 0.00 0.00 61.69 58.27 3led s THR 206 Cb -0.04 -2.80 0.02 0.00 1.34 0.00 0.00 72.50 71.02 3led s THR 206 CO -0.00 -0.11 0.29 0.00 -0.54 0.00 0.00 174.62 174.25 3led s ALA 207 N -2.65 -0.69 -0.02 3.99 0.00 -0.28 -0.39 121.76 121.72 3led s ALA 207 Ca 0.34 0.13 -0.07 0.00 0.00 0.00 0.00 51.96 52.36 3led s ALA 207 Cb 0.06 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.37 3led s ALA 207 CO 0.17 -0.32 0.15 0.00 0.00 0.00 0.00 175.76 175.76 3led s ALA 208 N -1.88 -0.36 -0.19 0.00 0.00 -1.26 -0.82 121.76 117.25 3led s ALA 208 Ca -0.10 0.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 3led s ALA 208 Cb -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 3led s ALA 208 CO 0.01 -0.16 -0.02 0.42 0.00 0.00 0.00 175.76 176.00 3led s ILE 209 N -0.84 3.76 -0.13 0.00 1.01 0.07 -4.37 121.20 120.70 3led s ILE 209 Ca -0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 3led s ILE 209 Cb -0.05 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 3led s ILE 209 CO 0.01 0.44 -0.07 -0.69 0.00 0.00 0.00 174.94 174.63 3led s VAL 210 N 0.94 3.61 0.21 2.92 1.01 -0.11 -0.35 120.40 128.63 3led s VAL 210 Ca 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 3led s VAL 210 Cb -0.14 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 3led s VAL 210 CO 0.01 0.53 0.22 -1.83 0.00 0.00 0.00 175.10 174.03 3led s GLU 211 N 0.06 1.26 0.19 2.72 -1.05 -0.45 -0.86 118.70 120.57 3led s GLU 211 Ca -0.02 -1.50 -0.33 0.00 -0.15 0.00 0.00 54.97 52.97 3led s GLU 211 Cb -0.14 0.32 -0.13 0.00 -0.44 0.00 0.00 34.13 33.75 3led s GLU 211 CO 0.03 -0.44 1.66 2.89 0.95 0.00 0.00 175.26 180.35 3led n ARG 212 N -0.28 2.52 -0.23 -4.83 1.85 -1.20 -0.41 116.66 114.07 3led n ARG 212 Ca 0.00 0.91 0.06 0.00 -1.00 0.00 0.00 57.85 57.82 3led n ARG 212 Cb 0.65 -2.73 0.32 0.00 -1.05 0.00 0.00 32.46 29.65 3led n ARG 212 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3led h ALA 213 N 6.42 1.65 -1.05 2.89 0.00 -1.16 -2.04 119.26 125.97 3led h ALA 213 Ca -0.44 -0.02 0.28 0.00 0.00 0.00 0.00 54.91 54.73 3led h ALA 213 Cb 1.22 -0.21 -0.11 0.00 0.00 0.00 0.00 17.79 18.69 3led h ALA 213 CO 0.93 0.22 0.65 -0.44 0.00 0.00 0.00 179.25 180.61 3led h ASP 214 N 0.85 0.51 -0.02 0.00 3.32 -1.91 -2.14 116.42 117.02 3led h ASP 214 Ca 0.35 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3led h ASP 214 Cb 0.27 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3led h ASP 214 CO -0.13 0.06 -0.10 0.47 -1.72 0.00 0.00 179.24 177.82 3led n ASP 215 N -4.74 2.29 -4.82 6.45 8.00 -0.79 -5.02 116.55 117.92 3led n ASP 215 Ca 0.27 -1.65 -0.35 0.00 0.71 0.00 0.00 54.79 53.77 3led n ASP 215 Cb 0.89 0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 42.06 3led n ASP 215 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3led s ALA 216 N -1.66 3.39 -0.29 2.24 0.00 -0.81 -5.04 121.76 119.60 3led s ALA 216 Ca 0.19 0.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 3led s ALA 216 Cb 0.15 -2.80 0.05 0.00 0.00 0.00 0.00 23.12 20.52 3led s ALA 216 CO 0.29 0.33 -0.03 -0.65 0.00 0.00 0.00 175.76 175.70 3led s GLN 217 N -2.24 2.45 3.56 0.00 1.11 -1.26 -5.03 119.66 118.25 3led s GLN 217 Ca 0.46 -1.24 0.00 0.00 0.01 0.00 0.00 55.36 54.59 3led s GLN 217 Cb -0.15 -3.10 0.00 0.00 -1.01 0.00 0.00 33.01 28.75 3led s GLN 217 CO 0.20 -0.58 0.00 0.41 0.01 0.00 0.00 175.29 175.33 3led n GLY 218 N 4.59 0.27 7.00 3.09 0.00 -1.26 -5.02 105.19 113.86 3led n GLY 218 Ca -0.14 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3led n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3led n GLY 219 N 0.00 -0.80 2.93 -0.02 0.00 -1.26 -4.73 105.19 101.30 3led n GLY 219 Ca 0.00 -1.17 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 3led n GLY 219 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3led s TRP 220 N 0.00 1.56 0.22 1.61 0.52 -0.71 -1.30 118.94 120.84 3led s TRP 220 Ca 0.00 -0.78 -0.30 0.00 0.02 0.00 0.00 56.10 55.04 3led s TRP 220 Cb 0.00 -1.26 -0.10 0.00 -1.15 0.00 0.00 33.47 30.96 3led s TRP 220 CO 0.00 -0.51 1.45 -1.12 0.02 0.00 0.00 176.95 176.78 3led s SER 221 N 1.61 6.68 -0.55 2.95 0.01 -0.04 -0.39 113.70 123.96 3led s SER 221 Ca 0.04 2.61 -0.25 0.00 1.31 0.00 0.00 55.95 59.65 3led s SER 221 Cb -0.13 -2.61 0.04 0.00 0.21 0.00 0.00 66.02 63.53 3led s SER 221 CO -0.08 -0.70 1.01 -0.63 0.41 0.00 0.00 173.24 173.25 3led s ILE 222 N 0.28 4.28 0.19 1.44 1.01 -0.37 -1.69 121.20 126.34 3led s ILE 222 Ca 0.61 0.49 0.06 0.00 0.00 0.00 0.00 60.65 61.81 3led s ILE 222 Cb -0.41 -4.59 -0.13 0.00 0.01 0.00 0.00 42.46 37.34 3led s ILE 222 CO 0.40 -1.17 1.43 -0.07 0.00 0.00 0.00 174.94 175.53 3led h LEU 223 N 11.23 0.11 0.00 2.97 3.38 -0.98 -3.42 115.31 128.60 3led h LEU 223 Ca -0.26 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3led h LEU 223 Cb 1.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3led h LEU 223 CO 1.11 0.89 0.00 0.61 0.09 0.00 0.00 178.44 181.14 3led n GLY 224 N 0.80 1.12 3.13 0.83 0.00 -1.19 -4.98 105.19 104.89 3led n GLY 224 Ca -0.02 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 3led n GLY 224 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3led s THR 225 N -2.00 0.90 -0.04 2.61 -4.23 -1.26 -1.36 115.64 110.26 3led s THR 225 Ca 0.00 -1.23 -0.02 0.00 -1.18 0.00 0.00 61.69 59.25 3led s THR 225 Cb 0.00 -0.91 0.02 0.00 1.34 0.00 0.00 72.50 72.95 3led s THR 225 CO 0.00 -0.29 0.10 -0.75 -0.54 0.00 0.00 174.62 173.13 3led s LYS 226 N -1.71 0.07 -0.01 3.99 2.20 -0.56 -4.98 119.74 118.74 3led s LYS 226 Ca -0.05 0.22 0.07 0.00 -0.36 0.00 0.00 55.97 55.85 3led s LYS 226 Cb -0.10 -0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.12 3led s LYS 226 CO 0.02 -0.09 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.18 3led s LEU 227 N 0.63 2.06 -0.04 5.43 1.43 -1.26 -0.60 118.68 126.33 3led s LEU 227 Ca -0.05 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 3led s LEU 227 Cb -0.07 -1.10 0.01 0.00 0.03 0.00 0.00 46.19 45.07 3led s LEU 227 CO -0.03 0.25 0.11 -0.54 0.23 0.00 0.00 176.35 176.37 3led s LYS 228 N -0.63 0.11 0.07 1.70 1.02 -0.22 -5.02 119.74 116.78 3led s LYS 228 Ca 0.08 0.17 0.04 0.00 0.02 0.00 0.00 55.97 56.28 3led s LYS 228 Cb -0.08 0.03 -0.03 0.00 -0.52 0.00 0.00 37.83 37.22 3led s LYS 228 CO -0.00 -0.03 -0.12 0.95 -0.92 0.00 0.00 175.35 175.23 3led s THR 229 N 0.19 0.94 -0.27 2.17 -4.23 -1.26 -1.07 115.64 112.11 3led s THR 229 Ca -0.01 -1.35 -0.00 0.00 -1.18 0.00 0.00 61.69 59.14 3led s THR 229 Cb -0.02 -1.05 0.16 0.00 1.34 0.00 0.00 72.50 72.93 3led s THR 229 CO -0.01 -0.35 0.46 -1.58 -0.54 0.00 0.00 174.62 172.60 3led s GLN 230 N -2.00 0.44 0.21 3.99 0.74 -0.41 -4.99 119.66 117.65 3led s GLN 230 Ca -0.02 0.57 -0.32 0.00 0.05 0.00 0.00 55.36 55.64 3led s GLN 230 Cb -0.08 -0.11 -0.14 0.00 1.10 0.00 0.00 33.01 33.78 3led s GLN 230 CO 0.01 -0.76 1.38 0.34 -0.55 0.00 0.00 175.29 175.71 3led n PHE 231 N 5.38 1.99 -3.78 1.67 7.35 -1.26 -0.39 117.46 128.43 3led n PHE 231 Ca -0.01 0.47 -0.13 0.00 -0.76 0.00 0.00 57.45 57.02 3led n PHE 231 Cb 0.51 -2.43 -0.11 0.00 0.35 0.00 0.00 39.48 37.79 3led n PHE 231 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3led s SER 232 N 0.31 -0.26 0.00 -2.13 0.15 -0.24 -4.63 113.70 106.90 3led s SER 232 Ca 0.71 0.47 0.16 0.00 0.70 0.00 0.00 55.95 57.99 3led s SER 232 Cb -0.70 0.51 0.65 0.00 -1.71 0.00 0.00 66.02 64.77 3led s SER 232 CO 0.49 -0.14 1.46 0.59 1.20 0.00 0.00 173.24 176.85 3led n ASN 233 N 2.73 1.27 0.05 5.45 3.02 -1.26 -4.34 115.26 122.18 3led n ASN 233 Ca -0.14 -1.75 0.11 0.00 -0.03 0.00 0.00 54.58 52.77 3led n ASN 233 Cb 0.58 -0.11 0.44 0.00 -0.61 0.00 0.00 39.78 40.08 3led n ASN 233 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3led n ASN 234 N 0.10 0.28 -3.71 6.41 3.02 -1.26 -4.22 115.26 115.88 3led n ASN 234 Ca 0.13 0.55 -0.25 0.00 -0.03 0.00 0.00 54.58 54.98 3led n ASN 234 Cb 0.25 -0.62 -0.17 0.00 -0.61 0.00 0.00 39.78 38.63 3led n ASN 234 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3led s ILE 235 N -3.09 0.29 -0.03 2.41 1.01 -1.26 -0.52 121.20 120.01 3led s ILE 235 Ca 0.08 -0.19 -0.19 0.00 0.00 0.00 0.00 60.65 60.35 3led s ILE 235 Cb 0.12 -0.71 0.04 0.00 0.01 0.00 0.00 42.46 41.92 3led s ILE 235 CO 0.40 -0.06 0.42 -0.60 0.00 0.00 0.00 174.94 175.10 3led s ARG 236 N 1.98 0.77 -0.12 2.79 3.52 -0.42 -4.50 118.95 122.97 3led s ARG 236 Ca 0.02 -0.04 -0.04 0.00 -0.13 0.00 0.00 55.73 55.54 3led s ARG 236 Cb -0.15 0.35 0.06 0.00 -1.56 0.00 0.00 34.95 33.65 3led s ARG 236 CO -0.07 -0.22 0.21 1.21 -0.81 0.00 0.00 175.30 175.62 3led s ASN 237 N -1.23 0.75 0.00 -2.12 3.84 -1.26 -1.13 114.94 113.79 3led s ASN 237 Ca -0.12 0.31 0.17 0.00 0.21 0.00 0.00 52.86 53.42 3led s ASN 237 Cb -0.04 0.43 0.56 0.00 -0.55 0.00 0.00 41.25 41.66 3led s ASN 237 CO 0.06 -0.26 1.43 0.59 -2.79 0.00 0.00 177.10 176.13 3led n ASN 238 N 5.33 1.91 -4.77 -4.21 3.02 0.45 -4.93 115.26 112.07 3led n ASN 238 Ca -0.05 -1.85 -0.40 0.00 -0.03 0.00 0.00 54.58 52.25 3led n ASN 238 Cb 0.50 -0.18 -0.02 0.00 -0.61 0.00 0.00 39.78 39.47 3led n ASN 238 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3led s ALA 239 N -1.65 3.40 0.00 5.41 0.00 -1.26 -4.88 121.76 122.78 3led s ALA 239 Ca 0.30 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.42 3led s ALA 239 Cb 0.16 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3led s ALA 239 CO 0.23 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.82 3led n GLY 240 N 0.81 -1.56 0.28 0.00 0.00 -1.26 -5.02 105.19 98.44 3led n GLY 240 Ca 0.01 -1.10 0.12 0.00 0.00 0.00 0.00 46.02 45.05 3led n GLY 240 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3led h PHE 241 N 0.00 0.00 -0.00 1.61 -5.15 -2.04 -0.46 116.94 110.90 3led h PHE 241 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3led h PHE 241 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3led h PHE 241 CO 0.00 0.04 -0.02 1.28 -2.00 0.00 0.00 178.31 177.60 3led n LEU 242 N -4.01 0.05 0.29 2.10 4.77 -1.26 -2.48 117.00 116.46 3led n LEU 242 Ca -0.03 0.31 0.16 0.00 -0.03 0.00 0.00 56.01 56.43 3led n LEU 242 Cb 0.12 -0.33 0.91 0.00 -2.33 0.00 0.00 43.42 41.79 3led n LEU 242 CO 0.30 0.01 1.09 0.78 -1.33 0.00 0.00 177.39 178.24 3led h ASN 243 N 0.04 0.00 0.48 -1.43 -0.26 -1.41 0.02 115.58 113.03 3led h ASN 243 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3led h ASN 243 Cb 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.61 3led h ASN 243 CO 0.00 0.04 0.00 0.03 -1.06 0.00 0.00 177.43 176.44 3led h ARG 244 N 0.00 0.00 -0.07 0.81 3.08 -1.67 -1.58 114.38 114.95 3led h ARG 244 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3led h ARG 244 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3led h ARG 244 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 3led n ALA 245 N -2.03 2.50 -2.94 0.04 0.00 -0.01 -4.43 120.51 113.63 3led n ALA 245 Ca -0.01 -0.62 -0.14 0.00 0.00 0.00 0.00 53.44 52.67 3led n ALA 245 Cb 0.18 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.68 3led n ALA 245 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3led n TRP 246 N 0.88 -1.79 0.29 0.00 -0.00 -0.63 -5.01 117.44 111.19 3led n TRP 246 Ca 0.16 -2.71 0.16 0.00 -0.00 0.00 0.00 57.50 55.12 3led n TRP 246 Cb 0.50 0.71 0.90 0.00 -0.00 0.00 0.00 31.31 33.41 3led n TRP 246 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 3led h PRO 247 N 3.57 0.00 0.00 5.87 0.11 -1.69 -0.88 132.00 138.98 3led h PRO 247 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3led h PRO 247 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3led h PRO 247 CO 0.35 0.04 0.00 1.05 -0.21 0.00 0.00 178.00 179.23 3led h GLU 248 N 0.00 0.00 -0.20 1.05 9.09 -1.95 -1.86 114.58 120.71 3led h GLU 248 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3led h GLU 248 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 3led h GLU 248 CO 0.01 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.48 3led n GLY 249 N -0.99 0.70 0.24 1.06 0.00 -0.33 -4.46 105.19 101.42 3led n GLY 249 Ca -0.02 -0.53 0.11 0.00 0.00 0.00 0.00 46.02 45.58 3led n GLY 249 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3led h ARG 250 N 3.05 0.00 -0.15 1.61 3.08 -1.48 -2.72 114.38 117.77 3led h ARG 250 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3led h ARG 250 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3led h ARG 250 CO 0.00 0.18 0.00 -0.40 -1.07 0.00 0.00 179.97 178.68 3led n ASP 251 N -3.43 1.92 -4.84 7.04 5.75 -1.26 -4.89 116.55 116.84 3led n ASP 251 Ca -0.00 -1.71 -0.32 0.00 -0.01 0.00 0.00 54.79 52.74 3led n ASP 251 Cb 0.36 -0.09 -0.06 0.00 -1.03 0.00 0.00 41.12 40.31 3led n ASP 251 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3led s LYS 252 N -1.82 4.04 0.61 0.11 -0.14 -1.03 -4.94 119.74 116.57 3led s LYS 252 Ca 0.34 0.82 0.33 0.00 -1.36 0.00 0.00 55.97 56.10 3led s LYS 252 Cb 0.19 -2.31 1.96 0.00 -1.68 0.00 0.00 37.83 35.99 3led s LYS 252 CO 0.29 0.02 2.28 0.00 -0.76 0.00 0.00 175.35 177.18 3led h ALA 253 N 1.84 1.42 0.00 5.17 0.00 -1.92 -1.66 119.26 124.11 3led h ALA 253 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3led h ALA 253 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3led h ALA 253 CO 0.63 -0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 3led n ASP 254 N -3.68 0.00 -0.90 0.00 5.75 -1.26 -2.20 116.55 114.25 3led n ASP 254 Ca -0.03 -0.31 0.06 0.00 -0.01 0.00 0.00 54.79 54.50 3led n ASP 254 Cb 0.08 -0.14 0.20 0.00 -1.03 0.00 0.00 41.12 40.22 3led n ASP 254 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3led n LYS 255 N -1.14 2.27 -4.48 0.11 4.76 -0.62 -0.41 118.16 118.65 3led n LYS 255 Ca 0.12 -1.57 -0.24 0.00 -2.87 0.00 0.00 58.31 53.75 3led n LYS 255 Cb 0.11 -1.48 -0.09 0.00 -1.84 0.00 0.00 35.03 31.74 3led n LYS 255 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3led s LEU 256 N -1.14 1.98 0.16 -0.35 1.43 -0.94 -4.31 118.68 115.51 3led s LEU 256 Ca 0.29 -1.60 -0.33 0.00 -1.03 0.00 0.00 54.13 51.45 3led s LEU 256 Cb 0.17 -0.11 -0.13 0.00 0.03 0.00 0.00 46.19 46.14 3led s LEU 256 CO 0.16 -0.87 1.64 0.33 0.23 0.00 0.00 176.35 177.84 3led n PHE 257 N -0.82 2.40 -3.95 0.29 7.35 -0.15 -4.45 117.46 118.13 3led n PHE 257 Ca -0.04 0.18 -0.27 0.00 -0.76 0.00 0.00 57.45 56.56 3led n PHE 257 Cb 0.65 -2.59 -0.17 0.00 0.35 0.00 0.00 39.48 37.73 3led n PHE 257 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3led s VAL 258 N 1.22 1.15 -0.05 -2.13 1.01 -0.28 -4.53 120.40 116.79 3led s VAL 258 Ca 0.79 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 62.45 3led s VAL 258 Cb -0.63 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 3led s VAL 258 CO 0.37 0.39 -0.20 -1.58 0.00 0.00 0.00 175.10 174.08 3led s GLN 259 N 1.63 2.05 -0.98 2.72 0.74 -1.26 -1.30 119.66 123.25 3led s GLN 259 Ca 0.04 -0.71 -0.13 0.00 0.05 0.00 0.00 55.36 54.62 3led s GLN 259 Cb -0.13 -1.76 0.23 0.00 1.10 0.00 0.00 33.01 32.46 3led s GLN 259 CO -0.08 0.28 0.99 -0.65 -0.55 0.00 0.00 175.29 175.28 3led s GLN 260 N -0.02 3.87 0.39 1.67 -0.21 0.32 -4.93 119.66 120.76 3led s GLN 260 Ca -0.04 -2.68 0.06 0.00 0.02 0.00 0.00 55.36 52.72 3led s GLN 260 Cb -0.12 -4.59 0.78 0.00 1.00 0.00 0.00 33.01 30.08 3led s GLN 260 CO 0.03 -1.37 2.02 0.78 -2.12 0.00 0.00 175.29 174.63 3led h GLY 261 N 7.83 0.62 1.20 3.09 0.00 -1.95 -1.69 103.07 112.17 3led h GLY 261 Ca 0.16 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 3led h GLY 261 CO 0.93 0.25 -0.23 3.21 0.00 0.00 0.00 176.54 180.69 3led h ARG 262 N 0.59 0.91 -0.35 4.80 3.08 -1.98 -0.45 114.38 120.98 3led h ARG 262 Ca 0.15 -0.39 -0.12 0.00 0.07 0.00 0.00 59.98 59.69 3led h ARG 262 Cb 0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3led h ARG 262 CO -0.03 1.05 -0.25 0.87 -1.07 0.00 0.00 179.97 180.54 3led h LYS 263 N 0.79 0.79 -0.47 0.04 1.57 -1.87 -2.07 116.57 115.34 3led h LYS 263 Ca 0.10 -0.38 0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3led h LYS 263 Cb 0.79 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 3led h LYS 263 CO 0.07 1.01 0.28 0.28 -0.57 0.00 0.00 179.45 180.52 3led h VAL 264 N 0.57 1.05 -0.41 0.50 2.07 -1.13 -0.20 116.25 118.71 3led h VAL 264 Ca 0.07 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.42 3led h VAL 264 Cb 0.82 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3led h VAL 264 CO 0.07 0.10 0.22 0.15 0.02 0.00 0.00 177.57 178.14 3led h PHE 265 N 0.57 0.42 -0.32 1.57 3.57 -0.98 0.45 116.94 122.21 3led h PHE 265 Ca 0.19 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.59 3led h PHE 265 Cb 0.01 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3led h PHE 265 CO -0.07 0.23 -0.27 0.87 -2.23 0.00 0.00 178.31 176.84 3led h LYS 266 N 0.45 0.66 0.06 1.11 1.57 -0.97 -3.23 116.57 116.23 3led h LYS 266 Ca 0.17 -0.28 -0.37 0.00 -1.87 0.00 0.00 60.65 58.30 3led h LYS 266 Cb 0.04 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 3led h LYS 266 CO -0.09 0.86 -2.16 0.39 -0.57 0.00 0.00 179.45 177.88 3led n GLU 267 N -4.09 0.71 0.09 3.15 1.02 -0.12 -4.41 120.64 116.97 3led n GLU 267 Ca -0.00 0.21 -0.13 0.00 -0.02 0.00 0.00 57.16 57.21 3led n GLU 267 Cb 0.45 -1.64 -0.08 0.00 -0.02 0.00 0.00 31.44 30.15 3led n GLU 267 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3led h VAL 268 N 0.04 1.46 0.21 2.62 2.07 -1.05 -3.06 116.25 118.55 3led h VAL 268 Ca -0.47 -2.75 0.00 0.00 0.82 0.00 0.00 66.70 64.31 3led h VAL 268 Cb 2.00 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 34.40 3led h VAL 268 CO 0.02 0.81 -0.22 0.58 0.02 0.00 0.00 177.57 178.78 3led h VAL 269 N 0.14 0.51 -0.02 2.57 2.07 -1.70 -0.93 116.25 118.89 3led h VAL 269 Ca -0.09 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.31 3led h VAL 269 Cb 1.73 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 3led h VAL 269 CO 0.17 0.00 -0.52 1.55 0.02 0.00 0.00 177.57 178.79 3led h PRO 270 N -0.47 0.04 -0.22 1.57 0.13 -1.77 -1.83 132.00 129.45 3led h PRO 270 Ca 0.00 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.13 3led h PRO 270 Cb 0.45 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.56 3led h PRO 270 CO -0.06 0.55 0.06 1.25 -0.23 0.00 0.00 178.00 179.58 3led h LEU 271 N 0.03 0.06 -0.07 1.56 6.46 -1.36 -1.66 115.31 120.33 3led h LEU 271 Ca -0.00 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 3led h LEU 271 Cb 0.93 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.89 3led h LEU 271 CO 0.07 0.06 -0.08 0.58 -0.62 0.00 0.00 178.44 178.46 3led h VAL 272 N 0.16 1.37 -0.71 1.05 2.07 -1.05 -3.25 116.25 115.89 3led h VAL 272 Ca 0.10 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.31 3led h VAL 272 Cb 0.08 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3led h VAL 272 CO -0.11 0.35 0.23 0.77 0.02 0.00 0.00 177.57 178.82 3led h SER 273 N -0.25 1.04 0.00 0.57 4.64 -1.30 -0.56 113.55 117.69 3led h SER 273 Ca 0.01 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3led h SER 273 Cb 0.60 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3led h SER 273 CO 0.02 0.97 0.00 -0.62 -0.87 0.00 0.00 176.83 176.33 3led n GLU 274 N -4.29 0.05 0.00 4.77 1.02 -0.63 -1.84 120.64 119.72 3led n GLU 274 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3led n GLU 274 Cb 0.22 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 3led n GLU 274 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3led n ILE 276 N 0.72 0.00 -0.15 -3.67 5.41 -0.22 -1.02 119.36 120.44 3led n ILE 276 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 3led n ILE 276 Cb 0.02 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 38.97 3led n ILE 276 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3led h ILE 277 N 0.00 1.27 -0.43 1.39 2.04 -1.62 -0.45 117.51 119.71 3led h ILE 277 Ca 0.00 -1.34 -0.06 0.00 1.00 0.00 0.00 64.86 64.47 3led h ILE 277 Cb 0.00 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3led h ILE 277 CO 0.00 0.46 0.05 -0.08 0.00 0.00 0.00 178.15 178.59 3led h GLU 278 N 0.84 0.72 -0.22 2.37 4.81 -1.33 -1.97 114.58 119.80 3led h GLU 278 Ca 0.12 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 3led h GLU 278 Cb 0.75 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 3led h GLU 278 CO 0.06 0.77 0.05 1.25 -0.73 0.00 0.00 179.01 180.40 3led h HIS 279 N 0.58 0.38 -0.55 0.92 2.76 -1.75 -1.32 115.15 116.17 3led h HIS 279 Ca 0.13 -0.05 0.10 0.00 -2.20 0.00 0.00 60.37 58.35 3led h HIS 279 Cb 0.40 -0.11 -0.08 0.00 1.55 0.00 0.00 27.41 29.18 3led h HIS 279 CO 0.03 0.47 0.12 0.00 -1.30 0.00 0.00 177.93 177.25 3led h ALA 280 N 0.86 0.64 -0.73 5.26 0.00 -1.00 -1.78 119.26 122.50 3led h ALA 280 Ca 0.07 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3led h ALA 280 Cb 0.29 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3led h ALA 280 CO 0.00 -0.30 0.41 0.00 0.00 0.00 0.00 179.25 179.36 3led h ARG 281 N 0.25 1.02 -0.90 0.00 3.08 -1.15 0.72 114.38 117.41 3led h ARG 281 Ca 0.28 -0.12 0.11 0.00 0.07 0.00 0.00 59.98 60.33 3led h ARG 281 Cb 0.40 -0.20 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 3led h ARG 281 CO -0.36 0.75 0.58 0.93 -1.07 0.00 0.00 179.97 180.80 3led h GLU 282 N 1.01 0.82 -0.59 0.04 5.08 -0.39 -2.48 114.58 118.06 3led h GLU 282 Ca 0.26 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3led h GLU 282 Cb 0.03 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.09 3led h GLU 282 CO -0.04 0.54 0.00 0.44 -1.00 0.00 0.00 179.01 178.95 3led n ILE 283 N -4.55 0.96 -1.65 3.13 -5.35 -0.91 -4.96 119.36 106.03 3led n ILE 283 Ca 0.16 -0.98 -0.03 0.00 -0.27 0.00 0.00 62.75 61.63 3led n ILE 283 Cb 0.35 0.54 -0.01 0.00 -1.74 0.00 0.00 39.64 38.79 3led n ILE 283 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3led n GLY 284 N 1.28 0.40 3.76 3.28 0.00 -0.41 -5.03 105.19 108.48 3led n GLY 284 Ca 0.20 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 3led n GLY 284 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3led s ILE 285 N -2.14 5.29 -0.47 -0.61 1.01 0.11 -5.01 121.20 119.38 3led s ILE 285 Ca 0.00 0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 3led s ILE 285 Cb 0.00 -3.36 0.03 0.00 0.01 0.00 0.00 42.46 39.14 3led s ILE 285 CO 0.00 0.51 1.16 -0.62 0.00 0.00 0.00 174.94 175.99 3led s ASP 286 N -0.17 6.61 0.57 3.58 2.15 -1.26 -3.98 116.67 124.17 3led s ASP 286 Ca 0.10 0.51 0.25 0.00 0.43 0.00 0.00 52.55 53.84 3led s ASP 286 Cb -0.12 -2.55 1.63 0.00 -0.30 0.00 0.00 42.92 41.58 3led s ASP 286 CO 0.01 -1.26 2.21 1.55 -0.17 0.00 0.00 175.17 177.50 3led h PRO 287 N 9.33 0.00 0.00 4.34 0.13 -1.92 0.12 132.00 144.00 3led h PRO 287 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3led h PRO 287 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3led h PRO 287 CO 1.12 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 179.34 3led h HIS 288 N 0.00 0.00 -0.28 1.56 3.86 -1.82 -2.67 115.15 115.80 3led h HIS 288 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3led h HIS 288 Cb 0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.53 3led h HIS 288 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 3led n GLY 289 N -0.43 1.07 3.75 2.45 0.00 0.41 -4.96 105.19 107.50 3led n GLY 289 Ca -0.00 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 3led n GLY 289 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3led s LEU 290 N -1.54 4.35 0.08 0.99 1.43 -1.01 -4.78 118.68 118.20 3led s LEU 290 Ca 0.35 2.91 -0.11 0.00 -1.03 0.00 0.00 54.13 56.25 3led s LEU 290 Cb 0.20 -3.63 -0.23 0.00 0.03 0.00 0.00 46.19 42.56 3led s LEU 290 CO 0.29 -0.88 1.18 0.50 0.23 0.00 0.00 176.35 177.67 3led h LYS 291 N 4.79 0.58 0.00 1.70 1.63 -1.20 -3.49 116.57 120.57 3led h LYS 291 Ca -0.47 -0.70 0.00 0.00 -0.85 0.00 0.00 60.65 58.63 3led h LYS 291 Cb 1.22 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 33.07 3led h LYS 291 CO 0.78 1.29 0.00 -2.13 -3.45 0.00 0.00 179.45 175.95 3led n ARG 292 N -3.78 0.00 -2.78 1.90 0.63 -1.16 -4.63 116.66 106.84 3led n ARG 292 Ca -0.11 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.81 3led n ARG 292 Cb 0.93 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.85 3led n ARG 292 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3led s TRP 294 N -4.04 -0.65 0.76 -0.14 0.51 0.63 -1.78 118.94 114.22 3led s TRP 294 Ca 0.00 -0.06 -0.08 0.00 -2.12 0.00 0.00 56.10 53.84 3led s TRP 294 Cb 0.00 0.12 0.08 0.00 -0.81 0.00 0.00 33.47 32.87 3led s TRP 294 CO 0.00 -0.47 1.08 -0.51 -0.51 0.00 0.00 176.95 176.54 3led s LEU 295 N 1.46 2.74 0.69 2.99 1.43 -1.26 -1.37 118.68 125.35 3led s LEU 295 Ca 0.20 0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 53.61 3led s LEU 295 Cb 0.06 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 3led s LEU 295 CO -0.11 -1.80 0.59 1.57 0.23 0.00 0.00 176.35 176.83 3led n HIS 296 N -3.09 -0.56 -3.51 0.29 -0.00 0.66 -4.08 115.22 104.93 3led n HIS 296 Ca 0.09 0.38 -0.27 0.00 -0.00 0.00 0.00 57.72 57.91 3led n HIS 296 Cb 0.60 -1.95 -0.09 0.00 -0.00 0.00 0.00 29.99 28.56 3led n HIS 296 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 3led n GLN 297 N -0.72 2.41 0.00 1.57 1.13 -1.26 -4.73 117.38 115.79 3led n GLN 297 Ca 0.11 -4.65 0.00 0.00 -1.94 0.00 0.00 57.00 50.52 3led n GLN 297 Cb 0.49 -2.27 0.00 0.00 0.11 0.00 0.00 30.24 28.58 3led n GLN 297 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3led n ALA 298 N 1.05 1.84 -3.31 -1.58 0.00 -1.26 -3.74 120.51 113.51 3led n ALA 298 Ca 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.65 3led n ALA 298 Cb 0.40 0.24 -0.06 0.00 0.00 0.00 0.00 19.45 20.02 3led n ALA 298 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3led s ASN 299 N -3.05 0.06 0.51 0.00 3.84 -1.26 -4.75 114.94 110.29 3led s ASN 299 Ca 0.00 0.14 0.23 0.00 0.21 0.00 0.00 52.86 53.44 3led s ASN 299 Cb 0.00 1.25 1.32 0.00 -0.55 0.00 0.00 41.25 43.27 3led s ASN 299 CO 0.00 -0.31 1.98 -0.29 -2.79 0.00 0.00 177.10 175.69 3led h ILE 300 N 6.15 0.75 0.00 -5.21 2.10 -1.37 -2.45 117.51 117.50 3led h ILE 300 Ca -0.17 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.74 3led h ILE 300 Cb 1.15 0.65 0.00 0.00 -1.09 0.00 0.00 36.82 37.53 3led h ILE 300 CO 0.27 0.02 0.00 0.59 -1.08 0.00 0.00 178.15 177.94 3led n ASN 301 N -4.40 1.37 0.00 2.19 4.13 -1.26 -1.13 115.26 116.16 3led n ASN 301 Ca 0.10 -1.16 0.00 0.00 1.68 0.00 0.00 54.58 55.21 3led n ASN 301 Cb 0.58 -0.29 0.00 0.00 -1.54 0.00 0.00 39.78 38.53 3led n ASN 301 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3led n ASN 303 N 0.55 0.00 -0.17 6.41 4.13 -0.92 -3.05 115.26 122.21 3led n ASN 303 Ca 0.00 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.16 3led n ASN 303 Cb 0.24 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.49 3led n ASN 303 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3led h GLU 304 N 0.00 0.88 -0.12 3.52 5.08 -1.41 0.40 114.58 122.94 3led h GLU 304 Ca 0.00 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 3led h GLU 304 Cb 0.00 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3led h GLU 304 CO 0.00 0.93 -0.14 0.82 -1.00 0.00 0.00 179.01 179.62 3led h ILE 305 N 0.74 1.36 -0.26 3.13 2.04 -1.82 -1.21 117.51 121.49 3led h ILE 305 Ca 0.14 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.67 3led h ILE 305 Cb 0.54 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 3led h ILE 305 CO 0.03 0.38 0.17 0.40 0.00 0.00 0.00 178.15 179.14 3led h ILE 306 N -0.10 1.07 -0.97 -0.67 2.04 -1.85 -1.78 117.51 115.26 3led h ILE 306 Ca 0.02 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.77 3led h ILE 306 Cb 0.68 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 3led h ILE 306 CO 0.03 0.07 0.64 1.23 0.00 0.00 0.00 178.15 180.12 3led h GLY 307 N 0.36 1.39 1.11 5.37 0.00 -0.89 -0.94 103.07 109.47 3led h GLY 307 Ca 0.10 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 3led h GLY 307 CO -0.02 0.45 0.08 -0.09 0.00 0.00 0.00 176.54 176.96 3led h ARG 308 N 1.26 1.08 -0.61 4.80 2.43 -1.01 -0.70 114.38 121.63 3led h ARG 308 Ca 0.37 -0.30 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3led h ARG 308 Cb -0.06 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 3led h ARG 308 CO -0.10 1.00 0.11 0.87 -1.51 0.00 0.00 179.97 180.34 3led h LYS 309 N 1.01 1.00 -0.19 0.20 1.79 -0.75 0.03 116.57 119.66 3led h LYS 309 Ca 0.19 -0.26 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 3led h LYS 309 Cb 0.47 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.99 3led h LYS 309 CO 0.02 0.93 -0.10 0.28 -1.08 0.00 0.00 179.45 179.50 3led h VAL 310 N 0.90 1.31 0.00 0.50 2.07 -0.97 -3.24 116.25 116.82 3led h VAL 310 Ca 0.18 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.53 3led h VAL 310 Cb 0.42 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3led h VAL 310 CO 0.01 0.35 -0.51 -0.07 0.02 0.00 0.00 177.57 177.38 3led h LEU 311 N 0.08 0.00 0.12 2.57 3.38 -1.13 -3.33 115.31 117.00 3led h LEU 311 Ca 0.04 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3led h LEU 311 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3led h LEU 311 CO 0.03 0.05 -0.05 0.61 0.09 0.00 0.00 178.44 179.17 3led n GLY 312 N 1.27 0.58 3.61 0.83 0.00 -0.01 -4.64 105.19 106.83 3led n GLY 312 Ca 0.03 -0.45 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 3led n GLY 312 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3led s ARG 313 N -1.49 1.06 -0.16 1.61 1.70 -1.18 -5.05 118.95 115.44 3led s ARG 313 Ca 0.00 -0.49 -0.29 0.00 -0.47 0.00 0.00 55.73 54.48 3led s ARG 313 Cb 0.00 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.76 3led s ARG 313 CO 0.00 -0.48 1.78 -0.51 -1.08 0.00 0.00 175.30 175.01 3led s ASP 314 N -2.71 6.26 0.44 -2.89 1.01 -1.26 -4.25 116.67 113.28 3led s ASP 314 Ca 0.08 1.89 -0.23 0.00 0.71 0.00 0.00 52.55 55.00 3led s ASP 314 Cb -0.01 -2.53 -0.08 0.00 1.01 0.00 0.00 42.92 41.31 3led s ASP 314 CO -0.04 -1.31 1.13 -2.84 0.21 0.00 0.00 175.17 172.32 3led s PRO 315 N 4.86 3.86 0.76 8.23 0.02 -1.26 -5.02 135.00 146.45 3led s PRO 315 Ca 0.79 1.69 -0.11 0.00 0.02 0.00 0.00 61.00 63.39 3led s PRO 315 Cb -0.30 -2.43 0.05 0.00 0.02 0.00 0.00 34.50 31.84 3led s PRO 315 CO 0.32 -0.44 1.09 0.95 -0.33 0.00 0.00 177.00 178.59 3led s THR 316 N -1.59 3.34 0.39 0.99 -4.23 -1.26 -4.89 115.64 108.39 3led s THR 316 Ca 0.62 0.44 0.09 0.00 -1.18 0.00 0.00 61.69 61.66 3led s THR 316 Cb -0.26 -3.22 0.17 0.00 1.34 0.00 0.00 72.50 70.52 3led s THR 316 CO 0.32 -0.57 1.93 -0.09 -0.54 0.00 0.00 174.62 175.67 3led h ARG 317 N -0.94 0.27 -0.84 3.99 9.65 -1.96 -1.18 114.38 123.37 3led h ARG 317 Ca -0.46 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 3led h ARG 317 Cb 1.25 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.75 3led h ARG 317 CO 0.59 0.38 0.54 -0.44 2.80 0.00 0.00 179.97 183.84 3led h ASP 318 N 0.26 0.98 0.33 -3.80 3.32 -1.99 -3.03 116.42 112.48 3led h ASP 318 Ca 0.06 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3led h ASP 318 Cb 0.33 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3led h ASP 318 CO 0.02 0.72 -0.52 -1.84 -1.72 0.00 0.00 179.24 175.90 3led n GLU 319 N -4.48 0.27 -3.55 3.56 0.28 -0.93 -4.53 120.64 111.26 3led n GLU 319 Ca 0.09 -0.18 -0.29 0.00 -0.16 0.00 0.00 57.16 56.62 3led n GLU 319 Cb 0.03 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.28 3led n GLU 319 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 3led s ASN 320 N -2.85 2.90 0.35 -1.84 2.47 -0.49 -4.49 114.94 111.00 3led s ASN 320 Ca 0.14 -2.69 -0.28 0.00 0.42 0.00 0.00 52.86 50.46 3led s ASN 320 Cb 0.18 -0.70 -0.10 0.00 -1.45 0.00 0.00 41.25 39.19 3led s ASN 320 CO 0.68 -0.24 1.26 -0.69 -3.72 0.00 0.00 177.10 174.39 3led s VAL 321 N 0.38 2.84 -0.18 -5.21 1.01 -1.24 -4.63 120.40 113.37 3led s VAL 321 Ca 0.22 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.02 3led s VAL 321 Cb -0.15 -3.50 0.04 0.00 0.00 0.00 0.00 36.38 32.78 3led s VAL 321 CO -0.06 0.16 -0.08 -0.63 0.00 0.00 0.00 175.10 174.48 3led s ILE 322 N -1.21 1.40 -0.12 2.22 -1.09 -1.26 -4.66 121.20 116.48 3led s ILE 322 Ca 0.51 -0.81 0.01 0.00 -2.23 0.00 0.00 60.65 58.14 3led s ILE 322 Cb -0.37 -1.51 -0.00 0.00 -1.58 0.00 0.00 42.46 39.00 3led s ILE 322 CO 0.49 0.18 0.31 2.30 -1.23 0.00 0.00 174.94 176.99 3led n ILE 323 N 4.77 0.00 0.31 2.92 -6.64 -1.26 -4.69 119.36 114.78 3led n ILE 323 Ca -0.14 -0.49 0.14 0.00 -1.77 0.00 0.00 62.75 60.50 3led n ILE 323 Cb 0.47 1.02 0.63 0.00 -1.44 0.00 0.00 39.64 40.32 3led n ILE 323 CO 0.00 0.00 0.00 0.17 -1.77 0.00 0.00 176.55 174.95 3led h LEU 324 N 0.15 0.00 -1.13 7.28 8.10 -1.84 -1.51 115.31 126.35 3led h LEU 324 Ca 0.00 0.00 0.02 0.00 0.11 0.00 0.00 57.88 58.01 3led h LEU 324 Cb 0.05 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.22 3led h LEU 324 CO 0.00 0.00 0.59 -2.24 -4.11 0.00 0.00 178.44 172.68 3led h ASP 325 N 0.00 1.00 0.17 0.17 2.03 -1.84 -0.87 116.42 117.08 3led h ASP 325 Ca 0.00 -0.02 -0.35 0.00 -0.73 0.00 0.00 57.03 55.93 3led h ASP 325 Cb 0.28 -0.24 -0.04 0.00 -0.83 0.00 0.00 39.33 38.49 3led h ASP 325 CO 0.00 0.71 -2.09 0.47 -1.03 0.00 0.00 179.24 177.30 3led n ASP 326 N -4.42 1.51 -0.15 4.15 8.00 -0.84 -1.27 116.55 123.53 3led n ASP 326 Ca 0.11 0.16 0.10 0.00 0.71 0.00 0.00 54.79 55.87 3led n ASP 326 Cb 0.05 -0.32 -0.08 0.00 -0.02 0.00 0.00 41.12 40.75 3led n ASP 326 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3led n TYR 327 N -3.23 0.00 -2.95 1.24 4.01 -0.63 -3.36 117.16 112.24 3led n TYR 327 Ca -0.31 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.43 3led n TYR 327 Cb 1.05 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 3led n TYR 327 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3led n ALA 328 N -1.05 0.00 -2.61 -0.72 0.00 -0.33 -4.10 120.51 111.69 3led n ALA 328 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 3led n ALA 328 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 3led n ALA 328 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3led s ASN 329 N -4.00 6.45 -0.23 0.00 2.47 0.40 -4.47 114.94 115.56 3led s ASN 329 Ca 0.00 0.49 0.14 0.00 0.42 0.00 0.00 52.86 53.91 3led s ASN 329 Cb 0.00 -2.30 0.59 0.00 -1.45 0.00 0.00 41.25 38.09 3led s ASN 329 CO 0.00 -0.35 1.53 0.35 -3.72 0.00 0.00 177.10 174.91 3led n THR 330 N 5.23 2.50 0.00 -5.21 -2.24 -1.26 -1.29 114.28 112.01 3led n THR 330 Ca -0.03 -1.95 0.00 0.00 -2.27 0.00 0.00 64.05 59.80 3led n THR 330 Cb 0.49 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 3led n THR 330 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3led n SER 331 N -0.46 0.00 -0.16 3.42 2.88 -1.26 -2.65 113.62 115.38 3led n SER 331 Ca 0.28 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.93 3led n SER 331 Cb 1.04 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.95 3led n SER 331 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3led h SER 332 N 0.00 0.48 1.82 -3.46 4.64 -1.67 -2.85 113.55 112.51 3led h SER 332 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3led h SER 332 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3led h SER 332 CO 0.00 0.28 0.00 0.00 -0.87 0.00 0.00 176.83 176.24 3led h ALA 333 N 1.65 1.00 -0.15 5.18 0.00 -1.80 -3.38 119.26 121.76 3led h ALA 333 Ca 0.34 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.28 3led h ALA 333 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3led h ALA 333 CO -0.12 0.00 -0.05 0.78 0.00 0.00 0.00 179.25 179.86 3led h GLY 334 N 3.72 0.09 1.83 0.00 0.00 -1.69 0.08 103.07 107.11 3led h GLY 334 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 3led h GLY 334 CO 0.00 -0.07 -0.07 1.48 0.00 0.00 0.00 176.54 177.88 3led h SER 335 N -0.02 0.20 -0.09 0.19 4.64 -1.76 -1.84 113.55 114.87 3led h SER 335 Ca 0.08 -0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 61.20 3led h SER 335 Cb 0.14 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3led h SER 335 CO -0.17 0.30 -0.55 0.40 -0.87 0.00 0.00 176.83 175.94 3led h ILE 336 N 0.21 1.30 -0.41 0.95 1.08 -1.46 -1.26 117.51 117.93 3led h ILE 336 Ca 0.05 -1.78 0.02 0.00 -0.39 0.00 0.00 64.86 62.75 3led h ILE 336 Cb 0.26 1.72 -0.03 0.00 -3.07 0.00 0.00 36.82 35.71 3led h ILE 336 CO 0.01 0.56 0.25 0.40 -0.69 0.00 0.00 178.15 178.68 3led h ILE 337 N 0.52 1.05 -0.24 -0.67 2.04 -0.45 0.55 117.51 120.31 3led h ILE 337 Ca 0.01 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.70 3led h ILE 337 Cb 1.12 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3led h ILE 337 CO 0.11 0.09 0.15 0.00 0.00 0.00 0.00 178.15 178.50 3led h ALA 338 N 1.18 0.30 -0.16 1.87 0.00 -1.18 -0.35 119.26 120.92 3led h ALA 338 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3led h ALA 338 Cb -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3led h ALA 338 CO -0.07 -0.24 0.10 0.35 0.00 0.00 0.00 179.25 179.40 3led h PHE 339 N 0.31 0.19 -0.65 0.00 3.57 -1.01 -1.82 116.94 117.54 3led h PHE 339 Ca 0.09 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3led h PHE 339 Cb -0.02 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 3led h PHE 339 CO -0.07 0.12 0.43 1.25 -2.23 0.00 0.00 178.31 177.81 3led h HIS 340 N 0.21 0.83 0.00 0.41 2.76 -0.60 -3.15 115.15 115.61 3led h HIS 340 Ca 0.06 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3led h HIS 340 Cb -0.02 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.66 3led h HIS 340 CO -0.07 0.53 -0.44 0.87 -1.30 0.00 0.00 177.93 177.52 3led h LYS 341 N 0.88 0.00 -2.04 5.26 1.57 -0.97 -3.41 116.57 117.86 3led h LYS 341 Ca 0.24 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.46 3led h LYS 341 Cb -0.09 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.82 3led h LYS 341 CO -0.05 0.00 -1.02 0.72 -0.57 0.00 0.00 179.45 178.53 3led n HIS 342 N -2.49 0.55 -0.09 -1.35 8.25 -0.69 -4.85 115.22 114.55 3led n HIS 342 Ca 0.03 -3.72 0.00 0.00 -0.26 0.00 0.00 57.72 53.77 3led n HIS 342 Cb 0.48 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3led n HIS 342 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3led n GLN 343 N 1.06 2.97 0.26 -0.41 10.64 -1.25 -4.82 117.38 125.83 3led n GLN 343 Ca 0.24 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.53 3led n GLN 343 Cb 0.53 -0.25 0.70 0.00 -0.86 0.00 0.00 30.24 30.36 3led n GLN 343 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 3led h ASP 344 N 0.00 0.00 -0.50 2.61 3.32 -1.90 -3.47 116.42 116.47 3led h ASP 344 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 3led h ASP 344 Cb 0.00 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 3led h ASP 344 CO 0.00 0.13 1.54 -0.90 -1.72 0.00 0.00 179.24 178.29 3led n ASP 345 N -3.66 7.09 -4.23 6.45 5.75 -1.26 -5.13 116.55 121.56 3led n ASP 345 Ca -0.02 -2.82 -0.19 0.00 -0.01 0.00 0.00 54.79 51.75 3led n ASP 345 Cb 0.25 -1.40 -0.12 0.00 -1.03 0.00 0.00 41.12 38.82 3led n ASP 345 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3led s ALA 347 N 0.20 1.46 0.15 2.12 0.00 -1.26 -5.21 121.76 119.22 3led s ALA 347 Ca 0.63 -1.18 -0.34 0.00 0.00 0.00 0.00 51.96 51.07 3led s ALA 347 Cb 0.27 -0.12 -0.15 0.00 0.00 0.00 0.00 23.12 23.12 3led s ALA 347 CO -0.09 0.18 1.41 0.94 0.00 0.00 0.00 175.76 178.21 3led n GLN 348 N 0.92 1.68 0.00 0.00 7.27 -1.26 -1.32 117.38 124.66 3led n GLN 348 Ca -0.18 0.60 0.00 0.00 0.07 0.00 0.00 57.00 57.49 3led n GLN 348 Cb 0.55 -2.27 0.00 0.00 2.41 0.00 0.00 30.24 30.93 3led n GLN 348 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3led n GLY 349 N 2.70 2.19 3.77 1.69 0.00 0.18 -4.98 105.19 110.74 3led n GLY 349 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3led n GLY 349 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3led s ASP 350 N -1.66 5.91 -0.09 1.61 1.01 -0.43 -4.62 116.67 118.40 3led s ASP 350 Ca 0.00 2.88 -0.12 0.00 0.71 0.00 0.00 52.55 56.02 3led s ASP 350 Cb 0.00 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 3led s ASP 350 CO 0.00 -1.15 0.30 -0.76 0.21 0.00 0.00 175.17 173.77 3led s LEU 351 N -2.71 4.38 0.27 1.23 1.43 -1.26 -1.30 118.68 120.71 3led s LEU 351 Ca 0.61 0.68 0.02 0.00 -1.03 0.00 0.00 54.13 54.41 3led s LEU 351 Cb -0.43 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.36 3led s LEU 351 CO 0.55 0.27 0.09 -0.83 0.23 0.00 0.00 176.35 176.66 3led s GLY 352 N -0.54 1.80 -0.06 -3.19 0.00 0.01 -0.56 107.32 104.77 3led s GLY 352 Ca 0.19 -1.90 -0.01 0.00 0.00 0.00 0.00 44.72 43.00 3led s GLY 352 CO 0.08 -1.63 0.00 -2.27 0.00 0.00 0.00 173.10 169.28 3led s LEU 353 N -3.34 0.67 -0.23 0.66 2.96 -0.74 -1.05 118.68 117.60 3led s LEU 353 Ca 0.38 -0.06 -0.11 0.00 -0.22 0.00 0.00 54.13 54.11 3led s LEU 353 Cb 0.08 -0.38 -0.05 0.00 0.50 0.00 0.00 46.19 46.34 3led s LEU 353 CO 0.14 -0.18 0.20 -0.63 -1.32 0.00 0.00 176.35 174.56 3led s ILE 354 N 1.79 5.33 -0.06 6.68 1.01 -0.06 -0.27 121.20 135.62 3led s ILE 354 Ca 0.02 0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.92 3led s ILE 354 Cb -0.13 -3.54 0.04 0.00 0.01 0.00 0.00 42.46 38.84 3led s ILE 354 CO -0.04 0.33 0.11 0.00 0.00 0.00 0.00 174.94 175.34 3led s SER 356 N 1.74 4.67 -0.24 0.00 1.04 -0.59 -0.25 113.70 120.07 3led s SER 356 Ca -0.02 -0.52 -0.26 0.00 0.48 0.00 0.00 55.95 55.62 3led s SER 356 Cb -0.12 -0.93 0.11 0.00 0.10 0.00 0.00 66.02 65.17 3led s SER 356 CO -0.05 0.04 0.94 0.72 0.98 0.00 0.00 173.24 175.88 3led s PHE 357 N -2.03 -0.53 0.00 5.02 -0.12 -1.26 -1.58 117.98 117.48 3led s PHE 357 Ca 0.29 1.20 0.00 0.00 -0.05 0.00 0.00 56.93 58.37 3led s PHE 357 Cb -0.08 0.36 0.00 0.00 -0.63 0.00 0.00 43.02 42.68 3led s PHE 357 CO 0.19 -0.30 0.00 0.41 -0.05 0.00 0.00 175.22 175.47 3led n GLY 358 N 1.94 -0.57 3.71 1.99 0.00 -0.35 -4.82 105.19 107.08 3led n GLY 358 Ca -0.13 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 3led n GLY 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3led n ALA 359 N 0.00 1.49 0.00 4.61 0.00 -1.26 -1.25 120.51 124.10 3led n ALA 359 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3led n ALA 359 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.16 3led n ALA 359 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3led n GLY 360 N 0.75 1.58 3.74 0.00 0.00 -1.26 -3.04 105.19 106.97 3led n GLY 360 Ca 0.04 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 3led n GLY 360 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3led s TYR 361 N 0.00 2.29 0.04 1.61 4.12 0.47 -1.08 117.35 124.81 3led s TYR 361 Ca 0.00 1.54 0.01 0.00 0.02 0.00 0.00 57.07 58.65 3led s TYR 361 Cb 0.00 -3.45 -0.03 0.00 -1.52 0.00 0.00 41.96 36.96 3led s TYR 361 CO 0.00 -2.32 -0.06 -1.54 0.02 0.00 0.00 175.55 171.65 3led s SER 362 N -1.84 0.72 -0.14 2.29 1.04 -0.38 -1.29 113.70 114.10 3led s SER 362 Ca 0.75 -0.60 -0.19 0.00 0.48 0.00 0.00 55.95 56.39 3led s SER 362 Cb -0.29 0.06 0.05 0.00 0.10 0.00 0.00 66.02 65.94 3led s SER 362 CO 0.38 -0.27 0.50 0.00 0.98 0.00 0.00 173.24 174.83 3led s ALA 363 N -1.74 -1.26 -0.02 5.32 0.00 -0.24 -1.21 121.76 122.62 3led s ALA 363 Ca -0.08 1.23 -0.02 0.00 0.00 0.00 0.00 51.96 53.09 3led s ALA 363 Cb -0.08 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.49 3led s ALA 363 CO -0.01 -0.26 0.05 0.20 0.00 0.00 0.00 175.76 175.74 3led s GLY 364 N -0.23 -0.04 -0.05 0.00 0.00 -0.61 -1.05 107.32 105.34 3led s GLY 364 Ca -0.04 0.15 0.06 0.00 0.00 0.00 0.00 44.72 44.89 3led s GLY 364 CO 0.03 0.14 -0.23 -0.51 0.00 0.00 0.00 173.10 172.53 3led s THR 365 N 0.05 2.25 -0.22 0.90 -4.23 0.23 -1.54 115.64 113.09 3led s THR 365 Ca -0.00 -1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 59.49 3led s THR 365 Cb -0.01 -1.82 0.06 0.00 1.34 0.00 0.00 72.50 72.07 3led s THR 365 CO -0.00 0.57 0.01 -0.69 -0.54 0.00 0.00 174.62 173.97 3led s VAL 366 N -0.32 0.93 -0.02 2.29 1.01 0.40 -1.49 120.40 123.20 3led s VAL 366 Ca 0.01 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 3led s VAL 366 Cb -0.13 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 3led s VAL 366 CO 0.02 -0.22 0.61 -0.36 0.00 0.00 0.00 175.10 175.15 3led s PHE 367 N 1.66 3.66 0.11 5.22 0.08 -0.46 -0.89 117.98 127.37 3led s PHE 367 Ca -0.02 1.20 0.04 0.00 0.12 0.00 0.00 56.93 58.27 3led s PHE 367 Cb -0.18 -2.64 -0.04 0.00 -0.57 0.00 0.00 43.02 39.60 3led s PHE 367 CO -0.09 0.31 -0.10 0.14 -0.10 0.00 0.00 175.22 175.38 3led s VAL 368 N -0.03 1.00 -0.02 -0.44 -7.23 -0.22 -0.31 120.40 113.15 3led s VAL 368 Ca 0.32 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.69 3led s VAL 368 Cb -0.18 -1.56 0.01 0.00 0.56 0.00 0.00 36.38 35.21 3led s VAL 368 CO 0.17 -0.65 -0.04 -1.58 -0.31 0.00 0.00 175.10 172.69 3led s GLN 369 N -3.21 0.54 -0.02 4.82 0.74 -0.68 -0.81 119.66 121.03 3led s GLN 369 Ca 0.10 -0.12 -0.30 0.00 0.05 0.00 0.00 55.36 55.09 3led s GLN 369 Cb -0.00 -0.57 -0.04 0.00 1.10 0.00 0.00 33.01 33.50 3led s GLN 369 CO -0.00 0.01 1.21 0.21 -0.55 0.00 0.00 175.29 176.17 3led s LYS 370 N 0.40 4.37 0.00 1.67 2.20 -0.42 -0.86 119.74 127.09 3led s LYS 370 Ca -0.05 1.71 0.29 0.00 -0.36 0.00 0.00 55.97 57.56 3led s LYS 370 Cb -0.08 -3.51 1.31 0.00 -1.51 0.00 0.00 37.83 34.03 3led s LYS 370 CO -0.00 -0.40 1.89 0.54 -0.36 0.00 0.00 175.35 177.01