#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mpt s ARG 5 N 0.00 3.92 0.87 3.49 3.52 -1.26 -5.02 118.95 124.46 3mpt s ARG 5 Ca 0.00 1.60 -0.12 0.00 -0.13 0.00 0.00 55.73 57.08 3mpt s ARG 5 Cb 0.00 -3.96 0.11 0.00 -1.56 0.00 0.00 34.95 29.54 3mpt s ARG 5 CO 0.00 -1.14 1.11 -1.25 -0.81 0.00 0.00 175.30 173.21 3mpt s PRO 6 N 4.34 1.51 0.08 5.12 0.04 -1.26 -5.02 135.00 139.80 3mpt s PRO 6 Ca 0.66 0.58 -0.25 0.00 0.04 0.00 0.00 61.00 62.02 3mpt s PRO 6 Cb -0.23 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 3mpt s PRO 6 CO 0.26 -2.01 0.76 0.99 0.04 0.00 0.00 177.00 177.04 3mpt s THR 7 N -3.12 4.63 0.09 1.26 2.01 -1.26 -4.98 115.64 114.27 3mpt s THR 7 Ca 0.63 1.63 0.02 0.00 0.31 0.00 0.00 61.69 64.28 3mpt s THR 7 Cb -0.16 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 3mpt s THR 7 CO 0.55 0.42 0.14 -0.36 -0.69 0.00 0.00 174.62 174.67 3mpt s PHE 8 N -0.41 3.30 0.10 4.92 0.40 -1.26 -1.17 117.98 123.86 3mpt s PHE 8 Ca 0.37 0.12 0.07 0.00 -0.60 0.00 0.00 56.93 56.89 3mpt s PHE 8 Cb -0.21 -1.65 -0.03 0.00 0.51 0.00 0.00 43.02 41.63 3mpt s PHE 8 CO 0.24 0.54 -0.17 1.52 0.70 0.00 0.00 175.22 178.05 3mpt s TYR 9 N -1.49 1.51 0.10 0.36 1.13 -0.42 -4.89 117.35 113.65 3mpt s TYR 9 Ca 0.31 -0.47 0.04 0.00 -1.41 0.00 0.00 57.07 55.55 3mpt s TYR 9 Cb -0.12 -0.82 -0.04 0.00 -1.10 0.00 0.00 41.96 39.88 3mpt s TYR 9 CO 0.24 0.15 0.07 1.03 -2.51 0.00 0.00 175.55 174.53 3mpt s ARG 10 N -2.10 2.78 -0.18 -3.49 0.52 -1.26 -2.03 118.95 113.18 3mpt s ARG 10 Ca 0.05 -0.78 -0.28 0.00 -0.52 0.00 0.00 55.73 54.19 3mpt s ARG 10 Cb -0.08 -2.65 0.10 0.00 0.52 0.00 0.00 34.95 32.84 3mpt s ARG 10 CO 0.03 0.54 0.86 1.14 0.02 0.00 0.00 175.30 177.89 3mpt s GLN 11 N -2.54 0.75 -0.19 3.54 -2.07 -0.41 -4.99 119.66 113.74 3mpt s GLN 11 Ca 0.29 0.46 -0.24 0.00 -1.82 0.00 0.00 55.36 54.04 3mpt s GLN 11 Cb -0.11 0.36 -0.01 0.00 -1.09 0.00 0.00 33.01 32.15 3mpt s GLN 11 CO 0.21 -0.18 0.80 -2.00 -1.32 0.00 0.00 175.29 172.80 3mpt s GLU 12 N -0.50 4.25 0.01 9.60 2.12 -1.26 -0.30 118.70 132.62 3mpt s GLU 12 Ca -0.03 0.93 -0.03 0.00 0.36 0.00 0.00 54.97 56.21 3mpt s GLU 12 Cb -0.02 -3.59 -0.01 0.00 0.26 0.00 0.00 34.13 30.76 3mpt s GLU 12 CO 0.02 -0.37 0.04 -0.51 -0.54 0.00 0.00 175.26 173.90 3mpt s LEU 13 N 2.31 1.95 -1.67 2.70 1.43 -0.11 -4.88 118.68 120.42 3mpt s LEU 13 Ca 0.36 -0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 52.91 3mpt s LEU 13 Cb -0.16 0.35 0.13 0.00 0.03 0.00 0.00 46.19 46.54 3mpt s LEU 13 CO 0.11 -0.34 0.67 0.59 0.23 0.00 0.00 176.35 177.60 3mpt n ASN 14 N 1.47 -2.48 -0.27 2.29 3.02 -1.26 -0.80 115.26 117.22 3mpt n ASN 14 Ca -0.23 -1.05 -0.04 0.00 -0.03 0.00 0.00 54.58 53.24 3mpt n ASN 14 Cb 0.55 -2.64 -0.02 0.00 -0.61 0.00 0.00 39.78 37.07 3mpt n ASN 14 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3mpt n LYS 15 N -4.37 -1.67 -4.22 3.52 5.02 -1.26 -4.96 118.16 110.22 3mpt n LYS 15 Ca -0.00 0.58 -0.13 0.00 -2.02 0.00 0.00 58.31 56.74 3mpt n LYS 15 Cb 0.53 -4.89 -0.10 0.00 -0.02 0.00 0.00 35.03 30.55 3mpt n LYS 15 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3mpt s THR 16 N -1.42 0.74 -0.26 -0.18 -1.32 0.01 -5.13 115.64 108.08 3mpt s THR 16 Ca 0.00 -1.98 -0.26 0.00 -1.21 0.00 0.00 61.69 58.24 3mpt s THR 16 Cb 0.00 -1.96 0.00 0.00 -1.51 0.00 0.00 72.50 69.04 3mpt s THR 16 CO 0.00 -0.63 0.91 -0.63 -2.21 0.00 0.00 174.62 172.06 3mpt s ILE 17 N -3.61 4.74 -0.17 5.08 -1.09 -1.26 -0.94 121.20 123.96 3mpt s ILE 17 Ca 0.19 1.65 -0.10 0.00 -2.23 0.00 0.00 60.65 60.16 3mpt s ILE 17 Cb 0.05 -4.21 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 3mpt s ILE 17 CO 0.01 -0.18 0.18 0.26 -1.23 0.00 0.00 174.94 173.97 3mpt s TRP 18 N 3.06 3.47 -0.30 3.97 0.52 0.59 -4.94 118.94 125.32 3mpt s TRP 18 Ca 0.38 0.45 0.02 0.00 0.02 0.00 0.00 56.10 56.98 3mpt s TRP 18 Cb -0.15 -2.16 0.08 0.00 -1.15 0.00 0.00 33.47 30.10 3mpt s TRP 18 CO 0.09 0.38 0.01 -2.00 0.02 0.00 0.00 176.95 175.45 3mpt s GLU 19 N 0.05 1.44 0.14 4.98 2.12 -1.26 -1.29 118.70 124.88 3mpt s GLU 19 Ca 0.12 -1.41 0.06 0.00 0.36 0.00 0.00 54.97 54.09 3mpt s GLU 19 Cb -0.12 -2.75 -0.04 0.00 0.26 0.00 0.00 34.13 31.48 3mpt s GLU 19 CO 0.01 -0.82 -0.13 0.14 -0.54 0.00 0.00 175.26 173.92 3mpt s VAL 20 N 1.21 1.34 0.55 3.70 -7.23 -0.86 -4.65 120.40 114.46 3mpt s VAL 20 Ca 0.04 -1.85 -0.21 0.00 -1.81 0.00 0.00 61.98 58.15 3mpt s VAL 20 Cb -0.19 -1.66 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 3mpt s VAL 20 CO -0.11 -0.51 1.25 -2.84 -0.31 0.00 0.00 175.10 172.58 3mpt s PRO 21 N -3.03 3.16 0.34 4.82 0.02 -1.26 -1.30 135.00 137.75 3mpt s PRO 21 Ca 0.12 1.96 0.15 0.00 0.02 0.00 0.00 61.00 63.25 3mpt s PRO 21 Cb -0.03 -2.13 1.10 0.00 0.02 0.00 0.00 34.50 33.46 3mpt s PRO 21 CO 0.03 -1.09 1.67 0.93 -0.33 0.00 0.00 177.00 178.20 3mpt h GLU 22 N 1.29 0.32 -1.00 5.54 5.08 -1.49 -1.31 114.58 123.01 3mpt h GLU 22 Ca -0.50 -0.02 0.25 0.00 -1.00 0.00 0.00 59.36 58.08 3mpt h GLU 22 Cb 1.29 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.39 3mpt h GLU 22 CO 0.57 0.21 0.65 0.07 -1.00 0.00 0.00 179.01 179.51 3mpt h ARG 23 N 0.33 0.38 -5.99 2.33 0.11 -1.90 -3.39 114.38 106.25 3mpt h ARG 23 Ca 0.73 -0.02 -0.58 0.00 0.10 0.00 0.00 59.98 60.21 3mpt h ARG 23 Cb 1.69 -0.08 -0.07 0.00 1.11 0.00 0.00 29.97 32.62 3mpt h ARG 23 CO -0.59 0.25 0.65 0.71 0.10 0.00 0.00 179.97 181.09 3mpt s TYR 24 N -5.45 3.34 0.09 4.08 2.02 -0.49 -1.12 117.35 119.83 3mpt s TYR 24 Ca -0.08 1.35 0.03 0.00 -0.37 0.00 0.00 57.07 58.00 3mpt s TYR 24 Cb 0.24 -3.18 -0.04 0.00 -0.40 0.00 0.00 41.96 38.59 3mpt s TYR 24 CO 0.79 -0.43 -0.09 -0.65 -1.57 0.00 0.00 175.55 173.61 3mpt s GLN 25 N 2.95 0.82 -1.11 -0.62 -1.52 -0.78 -4.88 119.66 114.52 3mpt s GLN 25 Ca 0.41 -1.15 -0.02 0.00 -1.95 0.00 0.00 55.36 52.65 3mpt s GLN 25 Cb -0.15 -0.46 0.00 0.00 -0.22 0.00 0.00 33.01 32.18 3mpt s GLN 25 CO 0.07 0.06 0.94 0.09 -0.25 0.00 0.00 175.29 176.20 3mpt n ASN 26 N 0.54 -2.84 -4.70 5.90 3.02 -1.26 -0.17 115.26 115.75 3mpt n ASN 26 Ca -0.16 -0.54 -0.42 0.00 -0.03 0.00 0.00 54.58 53.42 3mpt n ASN 26 Cb 0.58 -4.66 -0.03 0.00 -0.61 0.00 0.00 39.78 35.06 3mpt n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3mpt s LEU 27 N -6.09 4.34 -0.09 3.41 1.02 -1.25 -4.37 118.68 115.65 3mpt s LEU 27 Ca 0.11 2.26 -0.01 0.00 0.02 0.00 0.00 54.13 56.51 3mpt s LEU 27 Cb -0.05 -3.57 0.03 0.00 0.02 0.00 0.00 46.19 42.62 3mpt s LEU 27 CO 0.66 -0.74 -0.04 -0.55 0.02 0.00 0.00 176.35 175.70 3mpt s SER 28 N 1.78 1.85 0.24 2.29 0.15 0.08 -4.95 113.70 115.14 3mpt s SER 28 Ca 0.66 -0.19 -0.31 0.00 0.70 0.00 0.00 55.95 56.81 3mpt s SER 28 Cb -0.35 -0.63 -0.13 0.00 -1.71 0.00 0.00 66.02 63.20 3mpt s SER 28 CO 0.29 -0.16 1.43 -2.65 1.20 0.00 0.00 173.24 173.35 3mpt n PRO 29 N 5.03 2.09 -0.32 5.44 -0.02 -1.26 -0.40 135.00 145.56 3mpt n PRO 29 Ca -0.10 0.74 0.06 0.00 -2.02 0.00 0.00 63.50 62.18 3mpt n PRO 29 Cb 0.50 -2.42 0.08 0.00 -0.02 0.00 0.00 33.50 31.64 3mpt n PRO 29 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3mpt n VAL 30 N 2.03 1.06 0.00 -1.45 0.24 -0.26 -4.82 118.33 115.13 3mpt n VAL 30 Ca 0.12 -1.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.08 3mpt n VAL 30 Cb 0.32 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 3mpt n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mpt n GLY 31 N -0.77 -0.50 3.77 7.63 0.00 -1.25 -4.95 105.19 109.13 3mpt n GLY 31 Ca 0.09 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 3mpt n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mpt s SER 32 N -1.28 5.88 0.00 1.61 1.04 -1.26 -3.53 113.70 116.16 3mpt s SER 32 Ca 0.00 2.21 0.00 0.00 0.48 0.00 0.00 55.95 58.64 3mpt s SER 32 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 3mpt s SER 32 CO 0.00 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.72 3mpt n GLY 33 N 0.24 4.79 3.58 7.32 0.00 0.14 -4.87 105.19 116.39 3mpt n GLY 33 Ca 0.10 -1.94 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 3mpt n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mpt s ALA 34 N -2.18 2.36 -1.07 4.61 0.00 -1.26 -3.27 121.76 120.95 3mpt s ALA 34 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.15 3mpt s ALA 34 Cb 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 23.12 18.94 3mpt s ALA 34 CO 0.00 -3.41 0.00 0.66 0.00 0.00 0.00 175.76 173.01 3mpt n TYR 35 N 12.72 -0.30 0.00 0.00 4.01 -1.26 -4.99 117.16 127.34 3mpt n TYR 35 Ca 0.28 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.02 3mpt n TYR 35 Cb 0.49 -2.40 0.00 0.00 -0.31 0.00 0.00 39.34 37.13 3mpt n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mpt n GLY 36 N -1.27 1.22 3.77 2.72 0.00 -1.20 -1.93 105.19 108.50 3mpt n GLY 36 Ca -0.13 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 3mpt n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mpt s SER 37 N 0.00 6.47 -0.04 1.61 0.01 -1.19 -0.68 113.70 119.88 3mpt s SER 37 Ca 0.00 2.52 0.06 0.00 1.31 0.00 0.00 55.95 59.84 3mpt s SER 37 Cb 0.00 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 3mpt s SER 37 CO 0.00 -0.73 -0.22 -0.69 0.41 0.00 0.00 173.24 172.01 3mpt s VAL 38 N -1.30 2.37 0.03 3.43 1.01 -1.23 -1.79 120.40 122.92 3mpt s VAL 38 Ca 0.56 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.65 3mpt s VAL 38 Cb -0.35 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3mpt s VAL 38 CO 0.45 0.58 -0.25 0.00 0.00 0.00 0.00 175.10 175.88 3mpt s ALA 40 N -0.75 3.06 0.11 0.00 0.00 0.47 0.36 121.76 125.01 3mpt s ALA 40 Ca 0.11 0.46 -0.14 0.00 0.00 0.00 0.00 51.96 52.39 3mpt s ALA 40 Cb -0.10 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.87 3mpt s ALA 40 CO 0.01 0.08 0.33 0.00 0.00 0.00 0.00 175.76 176.19 3mpt s ALA 41 N -2.02 -0.71 -0.27 0.00 0.00 0.47 -0.74 121.76 118.48 3mpt s ALA 41 Ca 0.60 -0.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.24 3mpt s ALA 41 Cb -0.12 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 3mpt s ALA 41 CO 0.17 -0.59 0.16 0.12 0.00 0.00 0.00 175.76 175.62 3mpt s PHE 42 N -3.75 3.19 -0.56 0.00 5.36 0.76 0.10 117.98 123.08 3mpt s PHE 42 Ca 0.03 -0.04 -0.24 0.00 -0.96 0.00 0.00 56.93 55.72 3mpt s PHE 42 Cb 0.03 -2.35 0.04 0.00 -0.34 0.00 0.00 43.02 40.40 3mpt s PHE 42 CO -0.11 -0.22 0.92 0.34 -1.46 0.00 0.00 175.22 174.69 3mpt s ASP 43 N 1.72 6.32 0.39 6.13 2.15 0.05 -1.87 116.67 131.56 3mpt s ASP 43 Ca 0.07 -0.44 0.28 0.00 0.43 0.00 0.00 52.55 52.89 3mpt s ASP 43 Cb -0.16 -2.42 1.19 0.00 -0.30 0.00 0.00 42.92 41.23 3mpt s ASP 43 CO 0.09 -1.22 1.84 0.71 -0.17 0.00 0.00 175.17 176.42 3mpt h THR 44 N 6.01 0.00 0.00 1.71 1.35 -1.43 0.50 112.91 121.04 3mpt h THR 44 Ca -0.26 -0.33 -0.21 0.00 -0.55 0.00 0.00 66.41 65.06 3mpt h THR 44 Cb 1.07 1.17 -0.03 0.00 -1.73 0.00 0.00 68.15 68.64 3mpt h THR 44 CO 1.09 0.00 -1.07 0.11 -0.25 0.00 0.00 175.52 175.40 3mpt h LYS 45 N 0.00 0.00 0.00 4.72 1.57 -1.90 -3.38 116.57 117.58 3mpt h LYS 45 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mpt h LYS 45 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3mpt h LYS 45 CO 0.00 0.83 -0.76 0.25 -0.57 0.00 0.00 179.45 179.20 3mpt n THR 46 N -3.27 0.00 -1.00 -0.16 -2.24 -1.07 -5.01 114.28 101.53 3mpt n THR 46 Ca -0.03 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3mpt n THR 46 Cb 0.93 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 3mpt n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mpt n GLY 47 N 1.69 0.52 3.84 3.38 0.00 0.17 -5.03 105.19 109.77 3mpt n GLY 47 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3mpt n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mpt s LEU 48 N 0.00 4.31 -0.09 0.99 1.43 -1.20 -4.86 118.68 119.26 3mpt s LEU 48 Ca 0.00 1.16 -0.30 0.00 -1.03 0.00 0.00 54.13 53.97 3mpt s LEU 48 Cb 0.00 -3.44 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 3mpt s LEU 48 CO 0.00 0.05 1.06 -0.13 0.23 0.00 0.00 176.35 177.56 3mpt s ARG 49 N -2.10 4.40 0.18 1.70 0.52 -1.26 -0.77 118.95 121.62 3mpt s ARG 49 Ca 0.41 1.47 0.07 0.00 -0.52 0.00 0.00 55.73 57.16 3mpt s ARG 49 Cb -0.15 -3.54 -0.05 0.00 0.52 0.00 0.00 34.95 31.73 3mpt s ARG 49 CO 0.20 -0.35 -0.13 0.14 0.02 0.00 0.00 175.30 175.18 3mpt s VAL 50 N 2.05 1.54 -0.20 3.52 -7.23 0.11 -2.49 120.40 117.71 3mpt s VAL 50 Ca 0.51 -2.16 -0.07 0.00 -1.81 0.00 0.00 61.98 58.45 3mpt s VAL 50 Cb -0.20 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 3mpt s VAL 50 CO 0.19 -0.65 0.05 0.00 -0.31 0.00 0.00 175.10 174.38 3mpt s ALA 51 N -3.08 3.25 -0.23 1.32 0.00 0.10 -0.40 121.76 122.73 3mpt s ALA 51 Ca 0.20 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 3mpt s ALA 51 Cb 0.00 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.22 3mpt s ALA 51 CO 0.05 -0.03 -0.06 0.08 0.00 0.00 0.00 175.76 175.79 3mpt s VAL 52 N 0.78 3.10 -0.22 0.00 1.01 0.16 -1.32 120.40 123.91 3mpt s VAL 52 Ca 0.03 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 3mpt s VAL 52 Cb -0.14 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3mpt s VAL 52 CO 0.02 0.36 0.05 -0.75 0.00 0.00 0.00 175.10 174.78 3mpt s LYS 53 N 1.42 3.75 -0.29 2.72 2.20 0.41 -0.34 119.74 129.60 3mpt s LYS 53 Ca 0.04 -0.45 -0.14 0.00 -0.36 0.00 0.00 55.97 55.06 3mpt s LYS 53 Cb -0.15 -3.23 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 3mpt s LYS 53 CO -0.05 0.01 0.34 0.21 -0.36 0.00 0.00 175.35 175.51 3mpt s LYS 54 N 1.07 3.88 0.16 4.03 2.20 -0.74 -0.90 119.74 129.44 3mpt s LYS 54 Ca 0.04 -0.13 -0.31 0.00 -0.36 0.00 0.00 55.97 55.20 3mpt s LYS 54 Cb -0.14 -3.70 -0.09 0.00 -1.51 0.00 0.00 37.83 32.40 3mpt s LYS 54 CO 0.03 -0.33 1.38 -0.51 -0.36 0.00 0.00 175.35 175.56 3mpt s LEU 55 N 2.02 4.39 -0.41 5.43 1.43 -0.56 -3.16 118.68 127.82 3mpt s LEU 55 Ca 0.13 2.40 -0.29 0.00 -1.03 0.00 0.00 54.13 55.34 3mpt s LEU 55 Cb -0.16 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.49 3mpt s LEU 55 CO 0.11 -0.63 1.11 -0.55 0.23 0.00 0.00 176.35 176.62 3mpt s SER 56 N 0.80 6.76 -0.70 2.29 0.15 -0.81 -4.38 113.70 117.81 3mpt s SER 56 Ca 0.62 0.72 -0.13 0.00 0.70 0.00 0.00 55.95 57.87 3mpt s SER 56 Cb -0.38 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.40 3mpt s SER 56 CO 0.34 -1.10 0.62 0.54 1.20 0.00 0.00 173.24 174.85 3mpt n ARG 57 N 7.43 -1.67 0.25 5.44 1.74 -1.26 -4.84 116.66 123.75 3mpt n ARG 57 Ca 0.12 0.99 0.16 0.00 -0.77 0.00 0.00 57.85 58.34 3mpt n ARG 57 Cb 0.48 -2.26 0.54 0.00 -1.02 0.00 0.00 32.46 30.21 3mpt n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3mpt h PRO 58 N 0.50 0.00 -0.18 5.56 0.13 -1.80 -3.29 132.00 132.91 3mpt h PRO 58 Ca -0.61 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.36 3mpt h PRO 58 Cb 1.40 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.34 3mpt h PRO 58 CO 0.32 0.00 -0.72 1.19 -0.23 0.00 0.00 178.00 178.56 3mpt n PHE 59 N -3.03 0.65 -0.07 1.56 3.72 -1.26 -2.24 117.46 116.78 3mpt n PHE 59 Ca 0.02 -1.49 -0.12 0.00 -0.05 0.00 0.00 57.45 55.80 3mpt n PHE 59 Cb 0.36 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 3mpt n PHE 59 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3mpt h GLN 60 N 1.36 0.80 -4.82 -1.08 4.15 -1.93 -3.46 115.11 110.13 3mpt h GLN 60 Ca 0.02 -0.47 -0.38 0.00 0.77 0.00 0.00 58.65 58.59 3mpt h GLN 60 Cb 1.31 0.04 -0.14 0.00 0.21 0.00 0.00 27.48 28.90 3mpt h GLN 60 CO 0.19 1.10 -0.57 -1.54 -1.93 0.00 0.00 178.83 176.08 3mpt s SER 61 N -6.90 1.22 0.08 -0.69 1.04 -1.26 -5.02 113.70 102.17 3mpt s SER 61 Ca -0.10 -1.53 -0.20 0.00 0.48 0.00 0.00 55.95 54.60 3mpt s SER 61 Cb 0.11 0.39 -0.09 0.00 0.10 0.00 0.00 66.02 66.53 3mpt s SER 61 CO 0.87 -0.89 1.58 0.40 0.98 0.00 0.00 173.24 176.19 3mpt h ILE 62 N 2.31 1.20 -0.75 -1.02 2.04 -1.96 -0.26 117.51 119.07 3mpt h ILE 62 Ca -0.33 -0.64 0.09 0.00 1.00 0.00 0.00 64.86 64.99 3mpt h ILE 62 Cb 1.25 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 38.49 3mpt h ILE 62 CO 0.51 0.20 0.40 0.40 0.00 0.00 0.00 178.15 179.65 3mpt h ILE 63 N 0.15 0.87 -0.01 -0.67 2.04 -1.97 0.45 117.51 118.36 3mpt h ILE 63 Ca 0.06 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 3mpt h ILE 63 Cb 0.26 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3mpt h ILE 63 CO -0.00 0.12 -0.00 0.45 0.00 0.00 0.00 178.15 178.72 3mpt h HIS 64 N 0.67 0.01 -0.50 1.37 3.86 -1.82 -2.71 115.15 116.03 3mpt h HIS 64 Ca 0.37 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.64 3mpt h HIS 64 Cb 0.37 -0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.78 3mpt h HIS 64 CO -0.09 0.35 0.19 0.00 0.86 0.00 0.00 177.93 179.24 3mpt h ALA 65 N 0.67 0.62 -0.01 2.45 0.00 -0.47 -0.57 119.26 121.93 3mpt h ALA 65 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3mpt h ALA 65 Cb 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3mpt h ALA 65 CO 0.00 -0.19 -0.51 -0.22 0.00 0.00 0.00 179.25 178.32 3mpt h LYS 66 N 0.38 0.04 0.00 0.00 3.64 -1.00 -1.70 116.57 117.93 3mpt h LYS 66 Ca 0.24 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.41 3mpt h LYS 66 Cb 0.23 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3mpt h LYS 66 CO -0.23 0.54 -0.88 0.07 -2.27 0.00 0.00 179.45 176.68 3mpt h ARG 67 N 0.03 0.00 0.25 1.90 0.11 -1.06 0.18 114.38 115.79 3mpt h ARG 67 Ca -0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 3mpt h ARG 67 Cb 0.92 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.00 3mpt h ARG 67 CO 0.07 0.88 -0.12 1.15 0.10 0.00 0.00 179.97 182.05 3mpt h THR 68 N 0.00 0.79 -0.24 0.08 2.02 -0.96 0.11 112.91 114.70 3mpt h THR 68 Ca -0.01 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.01 3mpt h THR 68 Cb 1.65 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 68.92 3mpt h THR 68 CO 0.11 0.05 -0.10 0.22 0.37 0.00 0.00 175.52 176.17 3mpt h TYR 69 N -0.44 -0.23 -0.37 3.16 3.20 -1.25 -1.70 116.97 119.35 3mpt h TYR 69 Ca -0.03 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.91 3mpt h TYR 69 Cb 0.34 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 3mpt h TYR 69 CO -0.03 -0.15 0.10 -0.09 -1.64 0.00 0.00 178.16 176.34 3mpt h ARG 70 N -0.06 0.23 -0.55 1.82 2.43 -0.56 -0.29 114.38 117.40 3mpt h ARG 70 Ca 0.12 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3mpt h ARG 70 Cb 0.24 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 3mpt h ARG 70 CO -0.28 0.15 0.22 1.49 -1.51 0.00 0.00 179.97 180.05 3mpt h GLU 71 N 0.23 0.81 0.13 0.20 4.81 -0.41 -1.04 114.58 119.32 3mpt h GLU 71 Ca 0.17 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3mpt h GLU 71 Cb 0.18 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3mpt h GLU 71 CO -0.20 0.70 -0.06 1.25 -0.73 0.00 0.00 179.01 179.97 3mpt h LEU 72 N 0.74 -0.15 -0.46 1.64 5.85 -1.11 -0.12 115.31 121.71 3mpt h LEU 72 Ca 0.18 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.99 3mpt h LEU 72 Cb 0.19 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 3mpt h LEU 72 CO -0.02 -0.11 0.01 0.03 -0.34 0.00 0.00 178.44 178.02 3mpt h ARG 73 N -0.18 0.12 0.15 1.25 2.47 -0.85 0.13 114.38 117.47 3mpt h ARG 73 Ca -0.02 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 3mpt h ARG 73 Cb 0.14 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 3mpt h ARG 73 CO 0.03 0.08 -0.08 -0.07 0.56 0.00 0.00 179.97 180.49 3mpt h LEU 74 N 0.12 -0.19 -1.12 3.04 3.38 -0.84 -2.07 115.31 117.64 3mpt h LEU 74 Ca 0.23 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 3mpt h LEU 74 Cb 0.33 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3mpt h LEU 74 CO -0.37 -0.13 -0.03 -0.07 0.09 0.00 0.00 178.44 177.93 3mpt h LEU 75 N -0.21 0.55 -1.41 1.67 3.38 -0.68 -2.20 115.31 116.42 3mpt h LEU 75 Ca -0.02 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3mpt h LEU 75 Cb 0.17 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3mpt h LEU 75 CO 0.03 0.64 -0.30 0.11 0.09 0.00 0.00 178.44 179.01 3mpt h LYS 76 N 0.55 0.00 0.00 1.13 1.57 -0.53 -3.04 116.57 116.26 3mpt h LYS 76 Ca 0.11 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.68 3mpt h LYS 76 Cb 0.39 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3mpt h LYS 76 CO 0.02 0.30 -1.09 1.25 -0.57 0.00 0.00 179.45 179.36 3mpt h HIS 77 N 0.00 0.00 -3.28 -1.35 2.76 -0.75 -3.46 115.15 109.07 3mpt h HIS 77 Ca -0.00 0.00 -0.58 0.00 -2.20 0.00 0.00 60.37 57.59 3mpt h HIS 77 Cb 0.54 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.44 3mpt h HIS 77 CO 0.00 0.94 0.78 -1.64 -1.30 0.00 0.00 177.93 176.71 3mpt s MET 78 N -2.72 4.09 -0.44 5.26 -1.94 -1.05 -4.93 119.30 117.57 3mpt s MET 78 Ca 0.00 1.07 0.04 0.00 -1.71 0.00 0.00 55.69 55.10 3mpt s MET 78 Cb 0.09 -3.72 0.17 0.00 2.01 0.00 0.00 34.83 33.39 3mpt s MET 78 CO 0.81 -0.82 0.36 1.63 -0.01 0.00 0.00 175.02 177.00 3mpt n LYS 79 N 6.68 0.36 -3.78 2.03 5.02 -1.26 -4.31 118.16 122.90 3mpt n LYS 79 Ca 0.11 -3.31 -0.13 0.00 -2.02 0.00 0.00 58.31 52.97 3mpt n LYS 79 Cb 0.47 -1.72 -0.10 0.00 -0.02 0.00 0.00 35.03 33.66 3mpt n LYS 79 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3mpt s HIS 80 N -0.13 -0.21 0.48 2.13 2.46 -1.26 -5.04 115.29 113.72 3mpt s HIS 80 Ca 0.32 0.43 0.19 0.00 0.47 0.00 0.00 55.06 56.48 3mpt s HIS 80 Cb 0.04 0.08 1.22 0.00 -0.13 0.00 0.00 32.58 33.78 3mpt s HIS 80 CO -0.19 -0.27 2.00 0.93 -2.47 0.00 0.00 174.74 174.74 3mpt h GLU 81 N 4.76 0.18 -0.46 2.88 5.08 -1.98 -2.57 114.58 122.48 3mpt h GLU 81 Ca -0.28 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3mpt h GLU 81 Cb 1.19 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3mpt h GLU 81 CO 0.37 0.12 0.00 0.09 -1.00 0.00 0.00 179.01 178.59 3mpt n ASN 82 N -4.44 4.72 -3.96 1.42 5.03 -1.26 -4.72 115.26 112.06 3mpt n ASN 82 Ca 0.09 -2.83 -0.20 0.00 0.87 0.00 0.00 54.58 52.52 3mpt n ASN 82 Cb 0.47 -0.59 -0.16 0.00 -1.02 0.00 0.00 39.78 38.49 3mpt n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3mpt s VAL 83 N -2.53 0.65 0.00 2.41 1.01 -0.97 -1.64 120.40 119.35 3mpt s VAL 83 Ca 0.48 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 3mpt s VAL 83 Cb 0.36 -0.61 -0.07 0.00 0.00 0.00 0.00 36.38 36.05 3mpt s VAL 83 CO 0.15 0.22 1.80 -0.51 0.00 0.00 0.00 175.10 176.76 3mpt s ILE 84 N 0.39 3.24 0.52 2.22 1.10 -0.48 -4.40 121.20 123.79 3mpt s ILE 84 Ca -0.06 0.35 0.08 0.00 -0.51 0.00 0.00 60.65 60.52 3mpt s ILE 84 Cb -0.10 -3.23 0.04 0.00 0.15 0.00 0.00 42.46 39.33 3mpt s ILE 84 CO 0.00 -0.03 0.56 -0.83 -2.11 0.00 0.00 174.94 172.54 3mpt s GLY 85 N 3.72 2.05 -0.28 1.50 0.00 -1.26 -4.83 107.32 108.22 3mpt s GLY 85 Ca 0.80 -1.75 -0.15 0.00 0.00 0.00 0.00 44.72 43.62 3mpt s GLY 85 CO 0.35 -1.75 0.39 -2.27 0.00 0.00 0.00 173.10 169.82 3mpt s LEU 86 N -4.40 4.08 0.06 0.66 2.96 -1.15 -4.58 118.68 116.32 3mpt s LEU 86 Ca 0.49 0.25 0.07 0.00 -0.22 0.00 0.00 54.13 54.72 3mpt s LEU 86 Cb -0.04 -2.45 -0.23 0.00 0.50 0.00 0.00 46.19 43.97 3mpt s LEU 86 CO 0.30 -0.22 1.05 -0.07 -1.32 0.00 0.00 176.35 176.09 3mpt h LEU 87 N 8.66 0.06 -7.00 -0.68 3.38 -0.50 -3.43 115.31 115.80 3mpt h LEU 87 Ca -0.31 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.61 3mpt h LEU 87 Cb 1.16 -0.02 -0.22 0.00 0.09 0.00 0.00 40.66 41.67 3mpt h LEU 87 CO 0.66 1.07 0.42 -0.62 0.09 0.00 0.00 178.44 180.06 3mpt s ASP 88 N -6.59 -0.47 -0.01 -0.43 2.15 -1.02 -4.55 116.67 105.75 3mpt s ASP 88 Ca -0.02 0.57 0.01 0.00 0.43 0.00 0.00 52.55 53.54 3mpt s ASP 88 Cb 0.09 0.46 0.00 0.00 -0.30 0.00 0.00 42.92 43.17 3mpt s ASP 88 CO 0.83 -0.40 -0.02 0.54 -0.17 0.00 0.00 175.17 175.95 3mpt s VAL 89 N -0.97 0.20 0.12 1.11 0.11 -1.26 -0.58 120.40 119.14 3mpt s VAL 89 Ca -0.04 -0.08 -0.12 0.00 -2.93 0.00 0.00 61.98 58.81 3mpt s VAL 89 Cb -0.01 -0.20 0.01 0.00 -1.53 0.00 0.00 36.38 34.66 3mpt s VAL 89 CO 0.03 0.07 0.31 0.72 -3.33 0.00 0.00 175.10 172.91 3mpt s PHE 90 N 0.13 0.03 0.01 1.54 -0.12 -0.70 -4.98 117.98 113.89 3mpt s PHE 90 Ca -0.01 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.48 3mpt s PHE 90 Cb -0.03 0.10 -0.01 0.00 -0.63 0.00 0.00 43.02 42.45 3mpt s PHE 90 CO -0.00 -0.66 -0.02 -0.08 -0.05 0.00 0.00 175.22 174.41 3mpt s THR 91 N -3.86 0.09 -0.45 -4.49 -1.32 -1.26 -1.27 115.64 103.08 3mpt s THR 91 Ca 0.06 -0.40 0.26 0.00 -1.21 0.00 0.00 61.69 60.40 3mpt s THR 91 Cb 0.03 -0.15 0.31 0.00 -1.51 0.00 0.00 72.50 71.18 3mpt s THR 91 CO -0.09 -0.20 1.76 1.55 -2.21 0.00 0.00 174.62 175.43 3mpt h PRO 92 N 5.51 0.00 -6.90 7.08 0.13 -1.83 -3.46 132.00 132.53 3mpt h PRO 92 Ca -0.28 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.32 3mpt h PRO 92 Cb 1.21 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.44 3mpt h PRO 92 CO 0.47 0.00 0.80 0.00 -0.23 0.00 0.00 178.00 179.03 3mpt s ALA 93 N -3.29 3.61 -1.26 -0.56 0.00 -1.26 -4.92 121.76 114.08 3mpt s ALA 93 Ca 0.06 1.55 0.24 0.00 0.00 0.00 0.00 51.96 53.81 3mpt s ALA 93 Cb 0.09 -3.61 0.24 0.00 0.00 0.00 0.00 23.12 19.85 3mpt s ALA 93 CO 0.55 -1.01 1.23 0.54 0.00 0.00 0.00 175.76 177.07 3mpt n ARG 94 N 0.91 0.30 -3.88 0.00 1.74 -1.26 -4.93 116.66 109.54 3mpt n ARG 94 Ca 0.03 -0.21 -0.08 0.00 -0.77 0.00 0.00 57.85 56.81 3mpt n ARG 94 Cb 0.39 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 3mpt n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3mpt s SER 95 N -2.85 -0.22 0.33 0.55 1.04 -1.26 -5.05 113.70 106.26 3mpt s SER 95 Ca 0.13 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 55.91 3mpt s SER 95 Cb 0.17 0.67 0.64 0.00 0.10 0.00 0.00 66.02 67.60 3mpt s SER 95 CO 0.71 -1.24 1.94 0.25 0.98 0.00 0.00 173.24 175.88 3mpt h LEU 96 N 2.10 0.78 -1.17 2.42 5.85 -1.96 -1.69 115.31 121.63 3mpt h LEU 96 Ca -0.23 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.54 3mpt h LEU 96 Cb 1.25 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 3mpt h LEU 96 CO 0.29 0.51 0.57 -0.33 -0.34 0.00 0.00 178.44 179.13 3mpt h GLU 97 N 0.89 1.01 -0.40 1.25 3.07 -2.01 -2.23 114.58 116.17 3mpt h GLU 97 Ca 0.34 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3mpt h GLU 97 Cb 0.20 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 3mpt h GLU 97 CO -0.12 0.67 0.00 -0.85 -1.40 0.00 0.00 179.01 177.31 3mpt n GLU 98 N -4.46 2.39 -1.98 2.33 0.28 -0.87 -4.95 120.64 113.38 3mpt n GLU 98 Ca 0.12 -2.18 -0.43 0.00 -0.16 0.00 0.00 57.16 54.52 3mpt n GLU 98 Cb 0.15 -1.44 -0.03 0.00 1.43 0.00 0.00 31.44 31.55 3mpt n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3mpt s PHE 99 N -1.23 1.88 0.00 -1.84 5.36 -0.69 -4.66 117.98 116.79 3mpt s PHE 99 Ca 0.34 0.31 0.00 0.00 -0.96 0.00 0.00 56.93 56.62 3mpt s PHE 99 Cb 0.19 -3.98 0.00 0.00 -0.34 0.00 0.00 43.02 38.89 3mpt s PHE 99 CO 0.27 -3.67 0.00 0.09 -1.46 0.00 0.00 175.22 170.45 3mpt n ASN 100 N 8.18 0.00 -4.05 6.13 3.02 -1.26 -5.03 115.26 122.25 3mpt n ASN 100 Ca 0.19 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.56 3mpt n ASN 100 Cb 0.44 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.47 3mpt n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3mpt s ASP 101 N 0.00 1.16 -0.07 6.41 1.01 -1.26 -4.56 116.67 119.35 3mpt s ASP 101 Ca 0.00 -0.25 0.03 0.00 0.71 0.00 0.00 52.55 53.03 3mpt s ASP 101 Cb 0.00 -0.10 0.01 0.00 1.01 0.00 0.00 42.92 43.84 3mpt s ASP 101 CO 0.00 0.07 -0.16 -0.69 0.21 0.00 0.00 175.17 174.60 3mpt s VAL 102 N -0.44 1.44 -0.09 -1.27 1.01 -1.26 -4.56 120.40 115.23 3mpt s VAL 102 Ca 0.02 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.38 3mpt s VAL 102 Cb -0.05 -1.28 -0.00 0.00 0.00 0.00 0.00 36.38 35.05 3mpt s VAL 102 CO 0.00 0.42 -0.23 -0.31 0.00 0.00 0.00 175.10 174.98 3mpt s TYR 103 N 0.51 2.43 -0.09 5.22 1.51 -0.40 -1.49 117.35 125.04 3mpt s TYR 103 Ca -0.15 -0.92 0.02 0.00 -1.01 0.00 0.00 57.07 55.00 3mpt s TYR 103 Cb -0.16 -1.62 -0.02 0.00 -0.11 0.00 0.00 41.96 40.05 3mpt s TYR 103 CO 0.05 -0.36 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.49 3mpt s LEU 104 N 0.24 2.75 -0.12 -1.29 1.43 -0.07 -1.72 118.68 119.90 3mpt s LEU 104 Ca -0.15 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 3mpt s LEU 104 Cb -0.17 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.48 3mpt s LEU 104 CO 0.07 0.26 -0.18 -0.69 0.23 0.00 0.00 176.35 176.05 3mpt s VAL 105 N -0.24 1.69 0.28 -1.59 1.01 0.25 -0.45 120.40 121.35 3mpt s VAL 105 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3mpt s VAL 105 Cb -0.13 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3mpt s VAL 105 CO 0.03 0.48 0.28 0.28 0.00 0.00 0.00 175.10 176.17 3mpt s THR 106 N 0.91 0.00 0.44 3.92 -1.32 -0.44 0.32 115.64 119.47 3mpt s THR 106 Ca -0.07 -1.86 -0.25 0.00 -1.21 0.00 0.00 61.69 58.30 3mpt s THR 106 Cb -0.15 -2.50 -0.09 0.00 -1.51 0.00 0.00 72.50 68.25 3mpt s THR 106 CO -0.01 0.00 1.27 1.41 -2.21 0.00 0.00 174.62 175.08 3mpt n HIS 107 N -0.45 2.11 -3.96 9.09 8.25 -1.26 0.03 115.22 129.02 3mpt n HIS 107 Ca 0.03 0.49 -0.35 0.00 -0.26 0.00 0.00 57.72 57.64 3mpt n HIS 107 Cb 0.63 -2.37 -0.14 0.00 1.12 0.00 0.00 29.99 29.23 3mpt n HIS 107 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3mpt s LEU 108 N -1.83 2.84 0.32 2.41 2.96 -1.04 -4.38 118.68 119.96 3mpt s LEU 108 Ca 0.62 -0.57 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 3mpt s LEU 108 Cb -0.50 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 3mpt s LEU 108 CO 0.57 -0.05 0.49 -0.04 -1.32 0.00 0.00 176.35 176.00 3mpt s MET 109 N 1.40 3.36 0.35 1.98 -1.94 -1.26 -4.79 119.30 118.40 3mpt s MET 109 Ca 0.04 -0.59 0.10 0.00 -1.71 0.00 0.00 55.69 53.53 3mpt s MET 109 Cb -0.15 -2.75 0.86 0.00 2.01 0.00 0.00 34.83 34.80 3mpt s MET 109 CO -0.05 0.17 1.82 0.78 -0.01 0.00 0.00 175.02 177.73 3mpt h GLY 110 N 0.86 1.38 -1.61 -0.03 0.00 -1.92 -3.47 103.07 98.29 3mpt h GLY 110 Ca -0.49 -0.30 0.09 0.00 0.00 0.00 0.00 47.33 46.62 3mpt h GLY 110 CO 0.59 -0.01 0.40 0.00 0.00 0.00 0.00 176.54 177.53 3mpt s ALA 111 N -5.69 -1.24 0.52 3.60 0.00 -1.04 -5.05 121.76 112.86 3mpt s ALA 111 Ca -0.10 -0.39 0.09 0.00 0.00 0.00 0.00 51.96 51.56 3mpt s ALA 111 Cb 0.24 0.72 0.06 0.00 0.00 0.00 0.00 23.12 24.14 3mpt s ALA 111 CO 0.79 -1.03 0.71 0.16 0.00 0.00 0.00 175.76 176.40 3mpt s ASP 112 N -3.12 5.26 0.30 0.00 1.47 -1.26 -0.30 116.67 119.02 3mpt s ASP 112 Ca 0.16 -0.72 0.04 0.00 1.18 0.00 0.00 52.55 53.20 3mpt s ASP 112 Cb -0.04 -0.00 0.49 0.00 -0.34 0.00 0.00 42.92 43.03 3mpt s ASP 112 CO 0.07 -1.15 1.78 0.25 0.68 0.00 0.00 175.17 176.80 3mpt h LEU 113 N 0.34 0.47 -0.98 2.11 5.85 -0.67 -2.42 115.31 120.01 3mpt h LEU 113 Ca -0.33 -0.13 0.30 0.00 0.84 0.00 0.00 57.88 58.56 3mpt h LEU 113 Cb 1.29 -0.12 -0.15 0.00 0.37 0.00 0.00 40.66 42.04 3mpt h LEU 113 CO 0.43 0.66 0.50 0.78 -0.34 0.00 0.00 178.44 180.46 3mpt h ASN 114 N 0.43 0.42 0.56 1.25 2.35 -1.86 0.47 115.58 119.21 3mpt h ASN 114 Ca 0.08 0.19 -0.19 0.00 -0.55 0.00 0.00 56.30 55.82 3mpt h ASN 114 Cb 0.55 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 3mpt h ASN 114 CO 0.04 -0.13 -0.85 0.78 -1.65 0.00 0.00 177.43 175.62 3mpt h ASN 115 N 0.31 0.26 0.11 5.81 2.35 -1.81 -2.64 115.58 119.99 3mpt h ASN 115 Ca 0.69 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 56.23 3mpt h ASN 115 Cb 1.53 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.82 3mpt h ASN 115 CO -0.61 0.99 -0.05 0.40 -1.65 0.00 0.00 177.43 176.51 3mpt h ILE 116 N 0.12 1.09 -0.97 2.81 1.08 -1.21 -1.01 117.51 119.42 3mpt h ILE 116 Ca -0.04 -1.11 0.18 0.00 -0.39 0.00 0.00 64.86 63.51 3mpt h ILE 116 Cb 1.47 1.75 -0.09 0.00 -3.07 0.00 0.00 36.82 36.88 3mpt h ILE 116 CO 0.13 0.25 0.61 0.58 -0.69 0.00 0.00 178.15 179.03 3mpt h VAL 117 N -0.70 0.73 0.13 1.67 2.07 -1.00 -2.24 116.25 116.91 3mpt h VAL 117 Ca -0.02 -0.23 -0.19 0.00 0.82 0.00 0.00 66.70 67.08 3mpt h VAL 117 Cb 0.53 -0.01 0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3mpt h VAL 117 CO 0.03 0.12 -0.87 0.11 0.02 0.00 0.00 177.57 176.98 3mpt h LYS 118 N 0.68 0.28 -0.01 1.57 1.57 -1.55 -3.42 116.57 115.69 3mpt h LYS 118 Ca 0.53 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3mpt h LYS 118 Cb 0.93 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3mpt h LYS 118 CO -0.29 1.23 -0.08 0.00 -0.57 0.00 0.00 179.45 179.73 3mpt s GLN 120 N -2.16 1.20 0.17 0.00 0.00 -0.96 -5.03 119.66 112.88 3mpt s GLN 120 Ca 0.33 -0.55 -0.30 0.00 -0.00 0.00 0.00 55.36 54.84 3mpt s GLN 120 Cb 0.20 0.54 -0.07 0.00 0.00 0.00 0.00 33.01 33.68 3mpt s GLN 120 CO 0.39 -0.50 1.00 0.21 0.00 0.00 0.00 175.29 176.39 3mpt s LYS 121 N -3.73 4.71 -0.32 9.60 2.20 -1.26 -4.73 119.74 126.21 3mpt s LYS 121 Ca 0.02 1.55 -0.12 0.00 -0.36 0.00 0.00 55.97 57.06 3mpt s LYS 121 Cb 0.00 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 3mpt s LYS 121 CO -0.12 0.26 0.22 -0.51 -0.36 0.00 0.00 175.35 174.84 3mpt s LEU 122 N -0.52 4.32 0.80 5.43 1.43 -1.26 -5.08 118.68 123.81 3mpt s LEU 122 Ca 0.46 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 53.18 3mpt s LEU 122 Cb -0.26 -2.13 0.07 0.00 0.03 0.00 0.00 46.19 43.91 3mpt s LEU 122 CO 0.32 -0.17 1.09 0.42 0.23 0.00 0.00 176.35 178.25 3mpt s THR 123 N 1.73 3.18 0.35 5.49 -4.23 -1.26 -4.88 115.64 116.02 3mpt s THR 123 Ca 0.06 0.38 0.05 0.00 -1.18 0.00 0.00 61.69 61.01 3mpt s THR 123 Cb -0.17 -2.89 0.29 0.00 1.34 0.00 0.00 72.50 71.07 3mpt s THR 123 CO 0.11 -0.50 1.95 -0.78 -0.54 0.00 0.00 174.62 174.85 3mpt h ASP 124 N -1.22 0.70 -0.53 3.99 3.58 -1.98 -1.60 116.42 119.38 3mpt h ASP 124 Ca -0.45 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 56.96 3mpt h ASP 124 Cb 1.25 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 42.12 3mpt h ASP 124 CO 0.53 0.45 0.19 -0.78 -2.88 0.00 0.00 179.24 176.75 3mpt h ASP 125 N 0.80 0.78 -0.07 2.28 3.58 -1.99 0.55 116.42 122.36 3mpt h ASP 125 Ca 0.33 -0.12 -0.10 0.00 0.42 0.00 0.00 57.03 57.56 3mpt h ASP 125 Cb 0.26 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 3mpt h ASP 125 CO -0.11 0.73 -0.26 0.45 -2.88 0.00 0.00 179.24 177.16 3mpt h HIS 126 N 0.83 0.57 -0.27 0.28 3.86 -1.67 -1.68 115.15 117.06 3mpt h HIS 126 Ca 0.19 -0.12 -0.14 0.00 -1.16 0.00 0.00 60.37 59.14 3mpt h HIS 126 Cb 0.22 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.55 3mpt h HIS 126 CO 0.01 0.72 -0.39 0.28 0.86 0.00 0.00 177.93 179.42 3mpt h VAL 127 N 0.44 1.30 0.57 2.45 2.07 -0.76 -1.87 116.25 120.45 3mpt h VAL 127 Ca 0.06 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 65.99 3mpt h VAL 127 Cb 0.69 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 3mpt h VAL 127 CO 0.05 0.51 -0.42 1.56 0.02 0.00 0.00 177.57 179.29 3mpt h GLN 128 N 0.49 -0.93 -0.27 1.57 4.20 -0.73 -0.67 115.11 118.77 3mpt h GLN 128 Ca 0.03 0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.86 3mpt h GLN 128 Cb 0.98 0.21 -0.06 0.00 0.30 0.00 0.00 27.48 28.91 3mpt h GLN 128 CO 0.09 -0.62 -0.09 0.35 -0.67 0.00 0.00 178.83 177.89 3mpt h PHE 129 N -0.96 -0.21 0.27 2.96 3.57 -1.35 0.40 116.94 121.62 3mpt h PHE 129 Ca -0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 3mpt h PHE 129 Cb 0.80 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.68 3mpt h PHE 129 CO -0.15 -0.15 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.58 3mpt h LEU 130 N -0.04 -0.31 -0.80 0.59 3.38 -1.30 -1.87 115.31 114.96 3mpt h LEU 130 Ca 0.13 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3mpt h LEU 130 Cb 0.24 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3mpt h LEU 130 CO -0.30 -0.11 0.08 0.40 0.09 0.00 0.00 178.44 178.60 3mpt h ILE 131 N -0.50 1.25 -0.41 1.22 1.08 -0.87 -1.41 117.51 117.87 3mpt h ILE 131 Ca -0.04 -1.00 0.09 0.00 -0.39 0.00 0.00 64.86 63.52 3mpt h ILE 131 Cb 0.37 0.71 -0.08 0.00 -3.07 0.00 0.00 36.82 34.75 3mpt h ILE 131 CO 0.06 0.37 -0.15 0.22 -0.69 0.00 0.00 178.15 177.96 3mpt h TYR 132 N 0.92 -0.35 -0.56 1.37 3.20 -0.17 -0.05 116.97 121.33 3mpt h TYR 132 Ca 0.18 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 62.04 3mpt h TYR 132 Cb 0.43 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 3mpt h TYR 132 CO 0.03 -0.23 0.12 1.96 -1.64 0.00 0.00 178.16 178.40 3mpt h GLN 133 N -0.06 0.87 -0.47 1.82 4.20 -0.75 -1.49 115.11 119.21 3mpt h GLN 133 Ca 0.20 -0.19 -0.12 0.00 0.06 0.00 0.00 58.65 58.60 3mpt h GLN 133 Cb 0.37 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 3mpt h GLN 133 CO -0.46 0.79 -0.19 0.82 -0.67 0.00 0.00 178.83 179.12 3mpt h ILE 134 N 0.83 1.27 0.00 2.54 2.04 -0.64 -2.50 117.51 121.05 3mpt h ILE 134 Ca 0.18 -1.35 -0.09 0.00 1.00 0.00 0.00 64.86 64.60 3mpt h ILE 134 Cb 0.32 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3mpt h ILE 134 CO 0.00 0.46 -0.44 -0.07 0.00 0.00 0.00 178.15 178.11 3mpt h LEU 135 N 0.82 0.00 -0.12 1.44 3.38 -0.69 0.38 115.31 120.52 3mpt h LEU 135 Ca 0.11 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3mpt h LEU 135 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3mpt h LEU 135 CO 0.06 0.44 -0.29 -0.09 0.09 0.00 0.00 178.44 178.65 3mpt h ARG 136 N 0.00 0.41 -0.51 1.13 2.43 -1.25 0.17 114.38 116.76 3mpt h ARG 136 Ca -0.00 -0.28 -0.08 0.00 -0.81 0.00 0.00 59.98 58.81 3mpt h ARG 136 Cb 0.83 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 3mpt h ARG 136 CO 0.06 0.89 0.01 0.78 -1.51 0.00 0.00 179.97 180.20 3mpt h GLY 137 N -0.01 0.97 1.33 2.80 0.00 -1.40 -3.01 103.07 103.76 3mpt h GLY 137 Ca -0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.58 3mpt h GLY 137 CO 0.06 0.65 0.19 1.41 0.00 0.00 0.00 176.54 178.85 3mpt h LEU 138 N 0.77 0.78 -0.94 3.11 3.38 -0.84 -0.23 115.31 121.34 3mpt h LEU 138 Ca 0.15 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3mpt h LEU 138 Cb 0.51 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3mpt h LEU 138 CO 0.02 0.74 0.60 0.50 0.09 0.00 0.00 178.44 180.39 3mpt h LYS 139 N 0.83 1.25 0.43 1.13 3.64 -0.65 -0.84 116.57 122.36 3mpt h LYS 139 Ca 0.19 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3mpt h LYS 139 Cb 0.23 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3mpt h LYS 139 CO -0.01 0.85 -0.20 -0.92 -2.27 0.00 0.00 179.45 176.89 3mpt h TYR 140 N 1.28 -0.53 -0.16 1.91 3.20 -1.28 -1.84 116.97 119.55 3mpt h TYR 140 Ca 0.34 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.24 3mpt h TYR 140 Cb -0.11 0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 3mpt h TYR 140 CO -0.00 -0.26 -0.13 0.82 -1.64 0.00 0.00 178.16 176.95 3mpt h ILE 141 N -0.70 0.63 0.00 1.81 2.04 -0.91 -2.02 117.51 118.36 3mpt h ILE 141 Ca -0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3mpt h ILE 141 Cb 0.50 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3mpt h ILE 141 CO 0.10 0.00 -0.06 0.45 0.00 0.00 0.00 178.15 178.64 3mpt h HIS 142 N -0.14 0.00 0.00 1.37 3.86 -1.14 -1.82 115.15 117.28 3mpt h HIS 142 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3mpt h HIS 142 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 3mpt h HIS 142 CO -0.26 0.06 0.00 0.66 0.86 0.00 0.00 177.93 179.24 3mpt h SER 143 N 0.00 0.00 -0.57 2.45 4.64 -0.57 -1.33 113.55 118.18 3mpt h SER 143 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mpt h SER 143 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3mpt h SER 143 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 3mpt n ALA 144 N -1.91 2.44 -3.22 5.18 0.00 -0.71 -4.70 120.51 117.59 3mpt n ALA 144 Ca 0.04 -1.01 -0.23 0.00 0.00 0.00 0.00 53.44 52.24 3mpt n ALA 144 Cb 0.42 -0.96 0.04 0.00 0.00 0.00 0.00 19.45 18.95 3mpt n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3mpt n ASP 145 N 1.15 -5.77 -4.72 0.00 8.00 -0.50 -4.26 116.55 110.45 3mpt n ASP 145 Ca 0.19 -0.37 -0.32 0.00 0.71 0.00 0.00 54.79 55.00 3mpt n ASP 145 Cb 0.49 -4.64 -0.08 0.00 -0.02 0.00 0.00 41.12 36.87 3mpt n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3mpt s ILE 146 N -3.18 4.31 -0.03 0.53 1.01 -1.05 -5.03 121.20 117.76 3mpt s ILE 146 Ca 0.39 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.40 3mpt s ILE 146 Cb -0.18 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 3mpt s ILE 146 CO 0.48 0.26 -0.18 -0.63 0.00 0.00 0.00 174.94 174.87 3mpt s ILE 147 N -1.22 2.72 -0.06 2.92 1.01 -1.26 -3.75 121.20 121.56 3mpt s ILE 147 Ca 0.24 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.85 3mpt s ILE 147 Cb -0.12 -2.04 -0.10 0.00 0.01 0.00 0.00 42.46 40.21 3mpt s ILE 147 CO 0.15 0.57 0.59 -0.74 0.00 0.00 0.00 174.94 175.51 3mpt h HIS 148 N 5.32 -0.27 0.00 3.97 -0.00 -1.93 -1.88 115.15 120.36 3mpt h HIS 148 Ca -0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 3mpt h HIS 148 Cb 1.14 0.09 0.00 0.00 -0.00 0.00 0.00 27.41 28.64 3mpt h HIS 148 CO 0.47 0.02 0.00 0.54 -0.00 0.00 0.00 177.93 178.95 3mpt n ARG 149 N -4.96 0.00 -2.62 5.26 1.74 -1.26 -2.83 116.66 111.99 3mpt n ARG 149 Ca -0.06 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.99 3mpt n ARG 149 Cb 0.20 -1.40 0.05 0.00 -1.02 0.00 0.00 32.46 30.28 3mpt n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3mpt n ASP 150 N 0.00 2.05 -4.68 0.55 2.03 -1.26 -4.98 116.55 110.25 3mpt n ASP 150 Ca 0.00 -2.30 -0.42 0.00 0.52 0.00 0.00 54.79 52.58 3mpt n ASP 150 Cb 0.00 -0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 39.93 3mpt n ASP 150 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3mpt s LEU 151 N -3.56 4.25 0.19 -2.67 2.96 -1.26 -4.84 118.68 113.75 3mpt s LEU 151 Ca 0.31 1.72 -0.23 0.00 -0.22 0.00 0.00 54.13 55.72 3mpt s LEU 151 Cb 0.34 -3.55 0.05 0.00 0.50 0.00 0.00 46.19 43.53 3mpt s LEU 151 CO -0.04 -0.59 0.69 -1.59 -1.32 0.00 0.00 176.35 173.51 3mpt s LYS 152 N 2.41 1.42 0.45 1.98 -2.85 -1.26 -4.82 119.74 117.06 3mpt s LYS 152 Ca 0.54 -0.66 0.16 0.00 -1.00 0.00 0.00 55.97 55.01 3mpt s LYS 152 Cb -0.23 0.57 1.09 0.00 -2.06 0.00 0.00 37.83 37.20 3mpt s LYS 152 CO 0.19 -0.64 1.97 -1.35 0.10 0.00 0.00 175.35 175.62 3mpt h PRO 153 N 2.00 0.33 0.00 1.78 0.11 -1.95 -0.02 132.00 134.26 3mpt h PRO 153 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3mpt h PRO 153 Cb 1.28 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3mpt h PRO 153 CO 0.31 0.22 0.00 -1.13 -0.21 0.00 0.00 178.00 177.19 3mpt n SER 154 N -4.46 0.31 -1.48 -2.05 3.41 -1.26 -1.78 113.62 106.31 3mpt n SER 154 Ca 0.11 0.57 0.09 0.00 -0.26 0.00 0.00 58.87 59.38 3mpt n SER 154 Cb 0.45 -0.64 0.33 0.00 -0.26 0.00 0.00 64.21 64.09 3mpt n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mpt n ASN 155 N -1.84 4.38 -4.12 4.04 3.02 -0.02 -4.83 115.26 115.89 3mpt n ASN 155 Ca 0.03 -2.36 -0.33 0.00 -0.03 0.00 0.00 54.58 51.89 3mpt n ASN 155 Cb 0.20 -0.55 -0.15 0.00 -0.61 0.00 0.00 39.78 38.68 3mpt n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3mpt s LEU 156 N -1.65 3.08 -0.15 3.41 1.43 -0.73 -1.17 118.68 122.91 3mpt s LEU 156 Ca 0.48 -1.07 -0.20 0.00 -1.03 0.00 0.00 54.13 52.30 3mpt s LEU 156 Cb 0.30 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 3mpt s LEU 156 CO 0.24 -0.13 0.59 0.00 0.23 0.00 0.00 176.35 177.28 3mpt s ALA 157 N 1.21 3.48 -0.01 4.21 0.00 0.11 -0.90 121.76 129.87 3mpt s ALA 157 Ca -0.03 -0.18 0.06 0.00 0.00 0.00 0.00 51.96 51.80 3mpt s ALA 157 Cb -0.17 -2.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 3mpt s ALA 157 CO -0.07 -0.30 -0.18 0.08 0.00 0.00 0.00 175.76 175.29 3mpt s VAL 158 N 1.30 1.45 0.46 0.00 1.01 0.58 0.41 120.40 125.60 3mpt s VAL 158 Ca 0.29 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.52 3mpt s VAL 158 Cb -0.16 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.02 3mpt s VAL 158 CO 0.12 0.38 0.50 0.54 0.00 0.00 0.00 175.10 176.64 3mpt s ASN 159 N -0.52 5.20 0.16 3.32 2.20 0.36 -2.50 114.94 123.16 3mpt s ASN 159 Ca 0.07 -0.72 0.10 0.00 -0.94 0.00 0.00 52.86 51.37 3mpt s ASN 159 Cb -0.07 -0.36 0.59 0.00 -2.00 0.00 0.00 41.25 39.41 3mpt s ASN 159 CO -0.00 -0.84 0.68 -1.84 -2.94 0.00 0.00 177.10 172.15 3mpt n GLU 160 N -1.77 -0.02 -0.92 3.55 0.00 -1.26 0.04 120.64 120.25 3mpt n GLU 160 Ca 0.06 0.59 -0.06 0.00 0.00 0.00 0.00 57.16 57.76 3mpt n GLU 160 Cb 0.61 -1.07 0.26 0.00 0.00 0.00 0.00 31.44 31.25 3mpt n GLU 160 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3mpt n ASP 161 N -3.92 4.11 -1.21 -1.84 8.00 -1.26 -4.93 116.55 115.49 3mpt n ASP 161 Ca 0.16 -3.35 -0.16 0.00 0.71 0.00 0.00 54.79 52.16 3mpt n ASP 161 Cb 0.57 -0.71 -0.07 0.00 -0.02 0.00 0.00 41.12 40.90 3mpt n ASP 161 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mpt s GLU 163 N -3.30 4.67 -0.04 0.00 2.02 -1.26 -4.76 118.70 116.04 3mpt s GLU 163 Ca 0.00 1.43 0.05 0.00 0.02 0.00 0.00 54.97 56.48 3mpt s GLU 163 Cb 0.00 -3.39 -0.01 0.00 0.10 0.00 0.00 34.13 30.83 3mpt s GLU 163 CO 0.00 0.18 -0.19 -1.17 0.02 0.00 0.00 175.26 174.09 3mpt s LEU 164 N 0.14 1.98 -0.05 1.80 0.20 -1.26 -0.49 118.68 121.01 3mpt s LEU 164 Ca 0.47 -0.38 0.05 0.00 0.69 0.00 0.00 54.13 54.96 3mpt s LEU 164 Cb -0.23 -1.06 -0.00 0.00 -0.43 0.00 0.00 46.19 44.47 3mpt s LEU 164 CO 0.29 0.20 -0.20 -0.54 -0.29 0.00 0.00 176.35 175.82 3mpt s LYS 165 N -0.18 2.05 0.20 1.98 1.02 0.16 -4.33 119.74 120.65 3mpt s LYS 165 Ca 0.00 -0.70 -0.28 0.00 0.02 0.00 0.00 55.97 55.01 3mpt s LYS 165 Cb -0.11 -1.75 -0.08 0.00 -0.52 0.00 0.00 37.83 35.37 3mpt s LYS 165 CO 0.01 0.27 0.88 0.42 -0.92 0.00 0.00 175.35 176.01 3mpt s ILE 166 N 0.01 4.23 0.19 2.17 1.01 -0.65 0.08 121.20 128.24 3mpt s ILE 166 Ca -0.05 1.93 0.07 0.00 0.00 0.00 0.00 60.65 62.61 3mpt s ILE 166 Cb -0.13 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 3mpt s ILE 166 CO 0.03 0.49 -0.14 -0.76 0.00 0.00 0.00 174.94 174.56 3mpt s LEU 167 N -1.04 2.54 -1.28 2.97 1.43 -0.31 -1.38 118.68 121.61 3mpt s LEU 167 Ca 0.39 -1.00 -0.04 0.00 -1.03 0.00 0.00 54.13 52.46 3mpt s LEU 167 Cb -0.25 -0.65 0.00 0.00 0.03 0.00 0.00 46.19 45.33 3mpt s LEU 167 CO 0.29 -0.18 0.48 0.47 0.23 0.00 0.00 176.35 177.65 3mpt n ASP 168 N -0.28 -5.28 -4.80 2.29 8.00 -1.26 -4.83 116.55 110.39 3mpt n ASP 168 Ca -0.09 -0.23 -0.33 0.00 0.71 0.00 0.00 54.79 54.85 3mpt n ASP 168 Cb 0.60 -4.13 -0.00 0.00 -0.02 0.00 0.00 41.12 37.56 3mpt n ASP 168 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3mpt s PHE 169 N -3.05 2.93 -1.44 1.24 -0.12 -1.26 -4.19 117.98 112.09 3mpt s PHE 169 Ca 0.24 1.54 -0.10 0.00 -0.05 0.00 0.00 56.93 58.56 3mpt s PHE 169 Cb -0.11 -3.07 0.06 0.00 -0.63 0.00 0.00 43.02 39.28 3mpt s PHE 169 CO 0.30 -1.11 0.71 0.41 -0.05 0.00 0.00 175.22 175.47 3mpt n GLY 170 N -0.59 -0.50 0.00 1.99 0.00 -0.71 -4.98 105.19 100.41 3mpt n GLY 170 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3mpt n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mpt n LEU 171 N -4.17 0.00 -4.08 0.99 4.32 -1.26 -4.99 117.00 107.81 3mpt n LEU 171 Ca -0.01 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.89 3mpt n LEU 171 Cb 0.55 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.25 3mpt n LEU 171 CO 0.60 0.00 -0.37 -1.00 -1.22 0.00 0.00 177.39 175.40 3mpt s HIS 174 N 3.18 0.57 0.56 -1.77 3.76 -1.26 -5.15 115.29 115.17 3mpt s HIS 174 Ca 0.00 -0.84 -0.19 0.00 -0.15 0.00 0.00 55.06 53.87 3mpt s HIS 174 Cb 0.00 -0.38 -0.05 0.00 1.11 0.00 0.00 32.58 33.26 3mpt s HIS 174 CO 0.00 -0.25 1.14 0.95 -0.85 0.00 0.00 174.74 175.73 3mpt s THR 175 N -2.99 3.07 0.37 1.30 -4.23 -1.26 -4.89 115.64 107.01 3mpt s THR 175 Ca 0.01 0.66 0.15 0.00 -1.18 0.00 0.00 61.69 61.33 3mpt s THR 175 Cb 0.01 -3.26 0.36 0.00 1.34 0.00 0.00 72.50 70.95 3mpt s THR 175 CO -0.06 -0.15 1.78 0.44 -0.54 0.00 0.00 174.62 176.09 3mpt h ASP 176 N 1.11 0.54 -0.27 3.99 3.32 -2.05 0.24 116.42 123.31 3mpt h ASP 176 Ca -0.50 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.57 3mpt h ASP 176 Cb 1.27 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 3mpt h ASP 176 CO 0.56 0.13 -0.05 -0.78 -1.72 0.00 0.00 179.24 177.39 3mpt h ASP 177 N 0.49 0.61 1.07 6.45 3.58 -1.97 -2.39 116.42 124.26 3mpt h ASP 177 Ca 0.58 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.89 3mpt h ASP 177 Cb 1.31 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.20 3mpt h ASP 177 CO -0.32 0.71 0.00 -0.33 -2.88 0.00 0.00 179.24 176.41 3mpt h GLU 178 N 0.59 0.00 -0.52 0.28 5.08 -0.89 -2.80 114.58 116.32 3mpt h GLU 178 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3mpt h GLU 178 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3mpt h GLU 178 CO 0.02 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.70 3mpt n MET 179 N -2.55 2.46 -3.71 2.33 2.81 -0.91 -4.73 117.12 112.83 3mpt n MET 179 Ca 0.03 -2.25 -0.37 0.00 -1.81 0.00 0.00 57.70 53.30 3mpt n MET 179 Cb 0.32 -1.51 -0.07 0.00 -0.71 0.00 0.00 33.22 31.25 3mpt n MET 179 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3mpt s THR 180 N -1.31 5.36 0.00 2.03 2.01 -1.06 -4.83 115.64 117.85 3mpt s THR 180 Ca 0.41 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.81 3mpt s THR 180 Cb 0.23 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 69.21 3mpt s THR 180 CO 0.30 0.53 0.00 0.61 -0.69 0.00 0.00 174.62 175.37 3mpt n GLY 181 N 2.57 -0.95 3.38 4.40 0.00 -1.25 -4.54 105.19 108.80 3mpt n GLY 181 Ca -0.16 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 3mpt n GLY 181 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3mpt n TYR 182 N 0.00 4.53 -4.20 1.61 9.36 -1.06 -3.84 117.16 123.57 3mpt n TYR 182 Ca 0.00 -3.09 -0.20 0.00 3.32 0.00 0.00 57.90 57.93 3mpt n TYR 182 Cb 0.00 -2.34 -0.16 0.00 -0.63 0.00 0.00 39.34 36.21 3mpt n TYR 182 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3mpt s VAL 183 N 2.44 0.56 0.59 2.97 -7.23 -1.26 -5.02 120.40 113.45 3mpt s VAL 183 Ca 0.47 -0.15 0.29 0.00 -1.81 0.00 0.00 61.98 60.78 3mpt s VAL 183 Cb 0.02 -0.58 0.36 0.00 0.56 0.00 0.00 36.38 36.74 3mpt s VAL 183 CO 0.02 0.23 2.18 0.00 -0.31 0.00 0.00 175.10 177.22 3mpt h ALA 184 N 7.10 1.66 0.00 1.32 0.00 -1.94 -1.56 119.26 125.84 3mpt h ALA 184 Ca -0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3mpt h ALA 184 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3mpt h ALA 184 CO 0.48 -0.14 0.13 1.79 0.00 0.00 0.00 179.25 181.51 3mpt h THR 185 N 0.00 0.00 0.00 0.00 1.35 -1.96 -2.80 112.91 109.51 3mpt h THR 185 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 3mpt h THR 185 Cb 0.24 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 3mpt h THR 185 CO -0.00 0.00 -0.45 -1.14 -0.25 0.00 0.00 175.52 173.68 3mpt n ARG 186 N -2.80 4.15 0.31 4.72 0.63 -0.59 -4.78 116.66 118.30 3mpt n ARG 186 Ca -0.02 -0.01 0.19 0.00 -0.92 0.00 0.00 57.85 57.09 3mpt n ARG 186 Cb 0.18 -0.77 0.96 0.00 0.45 0.00 0.00 32.46 33.28 3mpt n ARG 186 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 3mpt h TRP 187 N 0.00 0.00 -0.43 -0.14 6.55 -1.44 -2.77 115.95 117.72 3mpt h TRP 187 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3mpt h TRP 187 Cb 0.08 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.38 3mpt h TRP 187 CO 0.00 0.02 0.00 0.66 -1.05 0.00 0.00 178.44 178.07 3mpt n TYR 188 N -3.19 0.57 -2.89 0.49 4.02 -1.26 -4.55 117.16 110.34 3mpt n TYR 188 Ca -0.02 -0.38 -0.40 0.00 -0.01 0.00 0.00 57.90 57.10 3mpt n TYR 188 Cb 0.18 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.43 3mpt n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3mpt s ARG 189 N -1.12 4.66 0.38 -0.72 0.52 -1.05 -3.83 118.95 117.79 3mpt s ARG 189 Ca 0.34 1.27 -0.27 0.00 -0.52 0.00 0.00 55.73 56.55 3mpt s ARG 189 Cb 0.18 -3.28 -0.09 0.00 0.52 0.00 0.00 34.95 32.28 3mpt s ARG 189 CO 0.25 0.51 1.29 0.00 0.02 0.00 0.00 175.30 177.37 3mpt s ALA 190 N -1.01 3.34 0.36 2.13 0.00 -1.26 -4.82 121.76 120.50 3mpt s ALA 190 Ca 0.38 1.21 0.07 0.00 0.00 0.00 0.00 51.96 53.62 3mpt s ALA 190 Cb -0.24 -3.47 0.78 0.00 0.00 0.00 0.00 23.12 20.19 3mpt s ALA 190 CO 0.28 -0.72 1.93 -1.35 0.00 0.00 0.00 175.76 175.90 3mpt h PRO 191 N 2.94 0.70 -0.09 0.00 0.11 -1.96 0.37 132.00 134.08 3mpt h PRO 191 Ca -0.49 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 3mpt h PRO 191 Cb 1.24 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3mpt h PRO 191 CO 0.64 0.46 -0.23 1.05 -0.21 0.00 0.00 178.00 179.71 3mpt h GLU 192 N 0.72 0.16 0.04 1.05 9.09 -1.92 -0.02 114.58 123.71 3mpt h GLU 192 Ca 0.35 -0.05 -0.28 0.00 0.05 0.00 0.00 59.36 59.44 3mpt h GLU 192 Cb 0.42 -0.02 -0.03 0.00 -1.65 0.00 0.00 28.75 27.47 3mpt h GLU 192 CO -0.13 0.39 -1.49 0.97 0.05 0.00 0.00 179.01 178.79 3mpt h ILE 193 N 0.15 1.14 -0.37 -1.06 2.10 -1.68 0.02 117.51 117.81 3mpt h ILE 193 Ca 0.03 -2.89 -0.11 0.00 1.08 0.00 0.00 64.86 62.97 3mpt h ILE 193 Cb 0.50 2.64 -0.01 0.00 -1.09 0.00 0.00 36.82 38.85 3mpt h ILE 193 CO 0.03 0.73 -0.21 -0.03 -1.08 0.00 0.00 178.15 177.60 3mpt h MET 194 N 0.03 0.72 -0.03 2.19 4.05 -0.03 -3.20 114.93 118.66 3mpt h MET 194 Ca -0.21 -0.28 -0.00 0.00 -0.28 0.00 0.00 59.70 58.93 3mpt h MET 194 Cb 1.95 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 32.71 3mpt h MET 194 CO 0.12 0.87 -0.02 1.28 0.23 0.00 0.00 176.91 179.39 3mpt n LEU 195 N -4.12 2.53 -4.02 3.39 4.77 -0.11 -5.03 117.00 114.41 3mpt n LEU 195 Ca 0.00 -3.13 -0.43 0.00 -0.03 0.00 0.00 56.01 52.43 3mpt n LEU 195 Cb 0.42 -0.45 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3mpt n LEU 195 CO 0.44 0.74 -0.18 0.59 -1.33 0.00 0.00 177.39 177.65 3mpt n ASN 196 N -1.33 -4.29 0.08 -1.43 3.02 -0.85 -4.87 115.26 105.59 3mpt n ASN 196 Ca 0.17 -1.24 -0.10 0.00 -0.03 0.00 0.00 54.58 53.38 3mpt n ASN 196 Cb 0.67 -1.68 -0.07 0.00 -0.61 0.00 0.00 39.78 38.10 3mpt n ASN 196 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 3mpt h TRP 197 N -2.20 0.26 -2.88 3.10 6.55 -1.29 -3.43 115.95 116.06 3mpt h TRP 197 Ca -0.70 -0.17 0.05 0.00 0.95 0.00 0.00 58.89 59.02 3mpt h TRP 197 Cb 1.41 -0.02 -0.02 0.00 -0.86 0.00 0.00 29.16 29.66 3mpt h TRP 197 CO 0.34 1.05 0.33 0.00 -1.05 0.00 0.00 178.44 179.11 3mpt s MET 198 N -2.95 1.91 -0.09 0.49 0.23 -1.26 -2.12 119.30 115.52 3mpt s MET 198 Ca -0.02 -1.18 -0.29 0.00 -1.03 0.00 0.00 55.69 53.16 3mpt s MET 198 Cb 0.09 0.57 -0.06 0.00 -1.53 0.00 0.00 34.83 33.90 3mpt s MET 198 CO 0.84 -0.89 1.96 -1.58 -2.03 0.00 0.00 175.02 173.31 3mpt s HIS 199 N -2.74 1.44 0.20 3.16 5.65 -1.26 -4.90 115.29 116.84 3mpt s HIS 199 Ca 0.15 0.05 0.01 0.00 0.25 0.00 0.00 55.06 55.52 3mpt s HIS 199 Cb -0.05 -4.08 -0.04 0.00 -1.18 0.00 0.00 32.58 27.23 3mpt s HIS 199 CO 0.09 -4.57 0.36 1.52 -0.65 0.00 0.00 174.74 171.49 3mpt s TYR 200 N 5.67 3.48 0.00 3.88 -0.85 -1.26 -5.12 117.35 123.16 3mpt s TYR 200 Ca 0.88 0.24 0.00 0.00 -0.52 0.00 0.00 57.07 57.67 3mpt s TYR 200 Cb -0.36 -1.77 0.00 0.00 0.38 0.00 0.00 41.96 40.21 3mpt s TYR 200 CO 0.37 0.41 0.00 0.27 -1.52 0.00 0.00 175.55 175.08 3mpt n ASN 201 N -0.76 0.59 0.29 -0.18 0.23 -1.26 -5.05 115.26 109.12 3mpt n ASN 201 Ca -0.06 -0.18 0.18 0.00 -0.53 0.00 0.00 54.58 54.00 3mpt n ASN 201 Cb 0.54 0.00 0.83 0.00 -2.08 0.00 0.00 39.78 39.08 3mpt n ASN 201 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3mpt h GLN 202 N 0.00 0.00 -0.21 -3.83 3.07 -2.00 -2.53 115.11 109.61 3mpt h GLN 202 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 58.65 58.80 3mpt h GLN 202 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 3mpt h GLN 202 CO 0.00 0.02 0.18 1.79 0.09 0.00 0.00 178.83 180.91 3mpt h THR 203 N 0.00 0.69 -0.83 1.86 1.35 -1.97 -0.54 112.91 113.46 3mpt h THR 203 Ca -0.00 0.00 0.23 0.00 -0.55 0.00 0.00 66.41 66.09 3mpt h THR 203 Cb 0.36 0.87 -0.04 0.00 -1.73 0.00 0.00 68.15 67.61 3mpt h THR 203 CO 0.00 0.00 0.58 -0.37 -0.25 0.00 0.00 175.52 175.49 3mpt h VAL 204 N 0.00 0.62 -0.37 6.82 -1.51 -1.82 -2.01 116.25 117.97 3mpt h VAL 204 Ca 0.10 -0.03 -0.16 0.00 -1.23 0.00 0.00 66.70 65.38 3mpt h VAL 204 Cb 0.46 0.51 -0.01 0.00 -2.13 0.00 0.00 31.29 30.13 3mpt h VAL 204 CO -0.00 0.02 -0.38 0.44 -1.23 0.00 0.00 177.57 176.42 3mpt h ASP 205 N 0.10 0.96 -0.19 4.19 3.32 -1.34 -2.89 116.42 120.56 3mpt h ASP 205 Ca 0.40 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3mpt h ASP 205 Cb 1.45 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 3mpt h ASP 205 CO -0.05 1.22 0.06 0.40 -1.72 0.00 0.00 179.24 179.16 3mpt h ILE 206 N 0.74 1.13 -0.43 0.35 1.08 -1.49 -1.79 117.51 117.10 3mpt h ILE 206 Ca 0.06 -0.47 -0.04 0.00 -0.39 0.00 0.00 64.86 64.02 3mpt h ILE 206 Cb 0.96 0.87 -0.02 0.00 -3.07 0.00 0.00 36.82 35.57 3mpt h ILE 206 CO 0.09 0.17 0.12 -0.25 -0.69 0.00 0.00 178.15 177.60 3mpt h TRP 207 N 0.38 0.70 -0.56 1.37 2.91 -1.42 -2.00 115.95 117.32 3mpt h TRP 207 Ca 0.09 -0.07 -0.08 0.00 1.13 0.00 0.00 58.89 59.95 3mpt h TRP 207 Cb 0.16 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.59 3mpt h TRP 207 CO 0.00 0.64 0.02 0.77 -1.03 0.00 0.00 178.44 178.85 3mpt h SER 208 N 0.55 0.92 -0.87 2.65 0.02 -1.25 -2.37 113.55 113.21 3mpt h SER 208 Ca 0.14 -0.24 0.07 0.00 -0.84 0.00 0.00 61.79 60.92 3mpt h SER 208 Cb 0.28 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.51 3mpt h SER 208 CO -0.00 0.96 0.54 0.58 -1.14 0.00 0.00 176.83 177.77 3mpt h VAL 209 N 0.88 1.03 -0.84 2.27 2.07 -1.05 -0.59 116.25 120.02 3mpt h VAL 209 Ca 0.17 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3mpt h VAL 209 Cb 0.49 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 3mpt h VAL 209 CO 0.02 0.18 0.44 1.23 0.02 0.00 0.00 177.57 179.46 3mpt h GLY 210 N 0.97 1.26 0.88 2.17 0.00 -0.87 0.15 103.07 107.62 3mpt h GLY 210 Ca 0.38 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 3mpt h GLY 210 CO -0.18 0.56 0.05 0.00 0.00 0.00 0.00 176.54 176.97 3mpt h ILE 212 N 0.27 1.17 -0.06 0.00 2.04 -0.85 -2.54 117.51 117.53 3mpt h ILE 212 Ca 0.08 -0.50 0.02 0.00 1.00 0.00 0.00 64.86 65.46 3mpt h ILE 212 Cb 0.32 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3mpt h ILE 212 CO 0.00 0.15 -0.09 -0.03 0.00 0.00 0.00 178.15 178.19 3mpt h MET 213 N 0.04 -0.12 -0.58 2.37 4.05 -0.63 -1.13 114.93 118.94 3mpt h MET 213 Ca 0.04 0.01 0.11 0.00 -0.28 0.00 0.00 59.70 59.59 3mpt h MET 213 Cb 0.20 0.03 -0.11 0.00 -0.80 0.00 0.00 31.60 30.91 3mpt h MET 213 CO -0.00 -0.08 -0.21 0.00 0.23 0.00 0.00 176.91 176.85 3mpt h ALA 214 N 0.92 0.24 -0.27 0.39 0.00 -1.08 -0.89 119.26 118.57 3mpt h ALA 214 Ca 0.06 0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3mpt h ALA 214 Cb 0.20 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3mpt h ALA 214 CO -0.14 -0.52 -0.05 1.49 0.00 0.00 0.00 179.25 180.04 3mpt h GLU 215 N -0.07 0.42 -0.26 0.00 4.81 -1.00 -0.61 114.58 117.87 3mpt h GLU 215 Ca 0.27 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 3mpt h GLU 215 Cb 0.49 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3mpt h GLU 215 CO -0.63 0.49 -0.30 -0.07 -0.73 0.00 0.00 179.01 177.76 3mpt h LEU 216 N 0.40 0.54 -0.13 1.64 3.38 0.07 0.21 115.31 121.42 3mpt h LEU 216 Ca 0.09 -0.20 -0.24 0.00 0.09 0.00 0.00 57.88 57.62 3mpt h LEU 216 Cb 0.34 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.95 3mpt h LEU 216 CO 0.01 0.82 -0.92 -0.07 0.09 0.00 0.00 178.44 178.37 3mpt h LEU 217 N 0.46 0.76 0.00 1.67 3.38 -0.55 -3.37 115.31 117.67 3mpt h LEU 217 Ca 0.06 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3mpt h LEU 217 Cb 0.75 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3mpt h LEU 217 CO 0.06 1.37 -1.74 0.35 0.09 0.00 0.00 178.44 178.57 3mpt n THR 218 N -3.84 0.00 -0.97 0.22 -2.24 -0.30 -4.99 114.28 102.16 3mpt n THR 218 Ca -0.08 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3mpt n THR 218 Cb 0.82 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 3mpt n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mpt n GLY 219 N 1.45 0.74 3.29 3.38 0.00 0.75 -5.04 105.19 109.76 3mpt n GLY 219 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 3mpt n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mpt s ARG 220 N -0.13 1.49 0.18 1.61 1.81 -1.24 -5.02 118.95 117.65 3mpt s ARG 220 Ca 0.00 -1.02 -0.33 0.00 -1.72 0.00 0.00 55.73 52.66 3mpt s ARG 220 Cb 0.00 -1.65 -0.14 0.00 -0.45 0.00 0.00 34.95 32.71 3mpt s ARG 220 CO 0.00 0.42 1.51 2.41 -0.68 0.00 0.00 175.30 178.96 3mpt n THR 221 N 1.75 0.27 0.01 0.02 -1.04 -1.26 -3.98 114.28 110.04 3mpt n THR 221 Ca -0.17 -0.07 -0.19 0.00 -2.04 0.00 0.00 64.05 61.58 3mpt n THR 221 Cb 0.53 -1.46 -0.09 0.00 -1.82 0.00 0.00 70.33 67.49 3mpt n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3mpt h LEU 222 N 5.31 0.87 -6.28 -4.42 5.85 -1.92 -3.38 115.31 111.34 3mpt h LEU 222 Ca -0.45 -0.69 -0.58 0.00 0.84 0.00 0.00 57.88 57.00 3mpt h LEU 222 Cb 1.27 -0.26 -0.40 0.00 0.37 0.00 0.00 40.66 41.63 3mpt h LEU 222 CO 0.84 1.43 -0.88 0.49 -0.34 0.00 0.00 178.44 179.99 3mpt n PHE 223 N -3.95 0.99 -1.71 1.25 3.72 -1.26 -4.98 117.46 111.52 3mpt n PHE 223 Ca -0.09 -3.75 -0.41 0.00 -0.05 0.00 0.00 57.45 53.14 3mpt n PHE 223 Cb 0.79 -0.30 -0.01 0.00 -0.94 0.00 0.00 39.48 39.02 3mpt n PHE 223 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3mpt n PRO 224 N 1.67 3.21 -1.92 -1.08 -0.04 -1.26 -4.72 135.00 130.86 3mpt n PRO 224 Ca 0.25 -2.65 -0.37 0.00 -0.04 0.00 0.00 63.50 60.70 3mpt n PRO 224 Cb 0.46 -3.11 0.04 0.00 -0.04 0.00 0.00 33.50 30.86 3mpt n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3mpt s GLY 225 N 2.57 2.80 0.04 0.55 0.00 -1.26 -4.90 107.32 107.13 3mpt s GLY 225 Ca 0.52 1.11 0.25 0.00 0.00 0.00 0.00 44.72 46.61 3mpt s GLY 225 CO -0.07 1.54 1.48 -1.30 0.00 0.00 0.00 173.10 174.74 3mpt n THR 226 N -1.53 0.12 -3.88 0.90 -2.24 -1.26 -4.34 114.28 102.05 3mpt n THR 226 Ca 0.13 -0.09 -0.03 0.00 -2.27 0.00 0.00 64.05 61.79 3mpt n THR 226 Cb 0.48 -0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.73 3mpt n THR 226 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3mpt s ASP 227 N -3.41 0.01 0.16 3.42 1.47 -1.25 -2.56 116.67 114.51 3mpt s ASP 227 Ca 0.10 -0.70 -0.15 0.00 1.18 0.00 0.00 52.55 52.98 3mpt s ASP 227 Cb 0.16 0.52 0.08 0.00 -0.34 0.00 0.00 42.92 43.34 3mpt s ASP 227 CO 0.68 -1.03 1.78 0.45 0.68 0.00 0.00 175.17 177.73 3mpt h HIS 228 N 2.00 0.38 -0.08 2.11 3.86 -1.88 -0.57 115.15 120.97 3mpt h HIS 228 Ca -0.28 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 58.93 3mpt h HIS 228 Cb 1.22 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 29.58 3mpt h HIS 228 CO 1.38 0.19 -0.02 0.82 0.86 0.00 0.00 177.93 181.16 3mpt h ILE 229 N 0.41 1.30 -0.41 2.45 1.08 -1.99 0.35 117.51 120.70 3mpt h ILE 229 Ca 0.18 -0.96 0.08 0.00 -0.39 0.00 0.00 64.86 63.77 3mpt h ILE 229 Cb 0.10 1.77 -0.07 0.00 -3.07 0.00 0.00 36.82 35.56 3mpt h ILE 229 CO -0.14 0.27 -0.01 -0.78 -0.69 0.00 0.00 178.15 176.80 3mpt h ASP 230 N -0.18 -0.19 -0.63 1.72 3.58 -1.91 -1.07 116.42 117.74 3mpt h ASP 230 Ca 0.02 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 3mpt h ASP 230 Cb 0.43 0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.63 3mpt h ASP 230 CO 0.01 -0.06 0.33 -0.61 -2.88 0.00 0.00 179.24 176.03 3mpt h GLN 231 N 0.09 0.90 -0.38 0.28 4.15 -1.05 -0.79 115.11 118.31 3mpt h GLN 231 Ca 0.20 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 3mpt h GLN 231 Cb 0.29 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 3mpt h GLN 231 CO -0.35 0.68 0.21 1.25 -1.93 0.00 0.00 178.83 178.70 3mpt h LEU 232 N 0.91 0.47 -0.79 -2.39 5.85 0.02 -0.87 115.31 118.51 3mpt h LEU 232 Ca 0.23 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3mpt h LEU 232 Cb 0.06 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3mpt h LEU 232 CO -0.03 0.42 0.47 0.11 -0.34 0.00 0.00 178.44 179.06 3mpt h LYS 233 N 0.49 1.08 -0.45 1.25 1.57 -0.56 0.13 116.57 120.09 3mpt h LYS 233 Ca 0.13 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3mpt h LYS 233 Cb 0.04 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.09 3mpt h LYS 233 CO -0.02 0.77 0.21 -0.07 -0.57 0.00 0.00 179.45 179.76 3mpt h LEU 234 N 1.09 0.28 0.28 2.94 3.38 -0.77 -1.49 115.31 121.02 3mpt h LEU 234 Ca 0.28 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 3mpt h LEU 234 Cb -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3mpt h LEU 234 CO -0.05 0.20 -0.13 0.40 0.09 0.00 0.00 178.44 178.95 3mpt h ILE 235 N 0.42 0.75 -0.15 1.22 2.04 -0.60 -3.07 117.51 118.11 3mpt h ILE 235 Ca 0.20 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 3mpt h ILE 235 Cb 0.13 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3mpt h ILE 235 CO -0.16 0.04 -0.15 -0.07 0.00 0.00 0.00 178.15 177.80 3mpt h LEU 236 N -0.46 0.23 -0.23 1.44 3.38 -0.60 0.65 115.31 119.73 3mpt h LEU 236 Ca -0.04 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3mpt h LEU 236 Cb 0.34 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3mpt h LEU 236 CO 0.06 0.41 0.09 -0.09 0.09 0.00 0.00 178.44 179.00 3mpt h ARG 237 N 0.23 0.19 -0.03 1.13 2.43 -1.27 0.63 114.38 117.70 3mpt h ARG 237 Ca 0.05 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3mpt h ARG 237 Cb 0.42 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3mpt h ARG 237 CO 0.03 0.13 -0.06 1.25 -1.51 0.00 0.00 179.97 179.81 3mpt h LEU 238 N 0.20 0.10 -0.69 3.80 5.85 -1.29 -3.37 115.31 119.91 3mpt h LEU 238 Ca 0.10 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3mpt h LEU 238 Cb 0.06 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3mpt h LEU 238 CO -0.09 0.66 -0.59 1.33 -0.34 0.00 0.00 178.44 179.41 3mpt n VAL 239 N -4.73 0.00 0.00 1.05 0.24 0.16 -1.92 118.33 113.13 3mpt n VAL 239 Ca -0.08 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 3mpt n VAL 239 Cb 0.33 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.80 3mpt n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mpt n GLY 240 N 1.44 -0.72 3.77 7.63 0.00 0.22 -4.15 105.19 113.37 3mpt n GLY 240 Ca 0.08 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 3mpt n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mpt s THR 241 N -3.10 3.10 0.46 2.61 -4.23 -0.78 -4.71 115.64 108.99 3mpt s THR 241 Ca 0.00 0.57 -0.24 0.00 -1.18 0.00 0.00 61.69 60.84 3mpt s THR 241 Cb 0.00 -3.12 -0.07 0.00 1.34 0.00 0.00 72.50 70.64 3mpt s THR 241 CO 0.00 -0.26 1.28 -2.16 -0.54 0.00 0.00 174.62 172.94 3mpt s PRO 242 N -3.80 3.70 0.82 3.99 0.05 -1.26 -4.84 135.00 133.66 3mpt s PRO 242 Ca 0.70 2.07 -0.09 0.00 0.05 0.00 0.00 61.00 63.73 3mpt s PRO 242 Cb -0.23 -2.53 0.18 0.00 0.05 0.00 0.00 34.50 31.97 3mpt s PRO 242 CO 0.37 -0.69 1.12 0.41 0.05 0.00 0.00 177.00 178.26 3mpt n GLY 243 N 0.61 -0.59 0.37 0.56 0.00 -1.26 -4.86 105.19 100.02 3mpt n GLY 243 Ca 0.06 -1.84 -0.01 0.00 0.00 0.00 0.00 46.02 44.24 3mpt n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mpt h ALA 244 N -1.30 1.29 -0.61 4.61 0.00 -2.00 -2.44 119.26 118.80 3mpt h ALA 244 Ca -0.36 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 3mpt h ALA 244 Cb 1.12 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3mpt h ALA 244 CO 0.30 0.58 0.22 1.49 0.00 0.00 0.00 179.25 181.84 3mpt h GLU 245 N 1.28 0.90 0.07 0.00 4.81 -2.02 -2.95 114.58 116.67 3mpt h GLU 245 Ca 0.38 -0.16 -0.26 0.00 -0.13 0.00 0.00 59.36 59.19 3mpt h GLU 245 Cb -0.06 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.19 3mpt h GLU 245 CO -0.11 0.76 -1.12 1.25 -0.73 0.00 0.00 179.01 179.06 3mpt h LEU 246 N 0.88 0.64 -1.08 1.64 5.85 -1.84 -3.25 115.31 118.16 3mpt h LEU 246 Ca 0.20 -0.58 0.18 0.00 0.84 0.00 0.00 57.88 58.53 3mpt h LEU 246 Cb 0.21 -0.20 -0.10 0.00 0.37 0.00 0.00 40.66 40.94 3mpt h LEU 246 CO -0.01 1.40 0.61 -0.07 -0.34 0.00 0.00 178.44 180.03 3mpt h LEU 247 N 0.22 0.75 -1.57 2.25 3.38 -1.29 0.19 115.31 119.25 3mpt h LEU 247 Ca -0.13 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3mpt h LEU 247 Cb 1.79 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 3mpt h LEU 247 CO 0.20 0.29 -0.22 0.11 0.09 0.00 0.00 178.44 178.90 3mpt h LYS 248 N 0.74 0.00 0.00 1.13 1.57 -1.56 -2.69 116.57 115.76 3mpt h LYS 248 Ca 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 3mpt h LYS 248 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3mpt h LYS 248 CO -0.34 0.22 -0.42 0.87 -0.57 0.00 0.00 179.45 179.21 3mpt h LYS 249 N 0.00 0.00 -6.07 3.15 1.57 -1.07 -3.39 116.57 110.76 3mpt h LYS 249 Ca -0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3mpt h LYS 249 Cb 0.41 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.63 3mpt h LYS 249 CO 0.03 0.00 1.25 0.42 -0.57 0.00 0.00 179.45 180.58 3mpt s ILE 250 N -3.17 3.74 -1.62 1.86 1.01 -0.94 -4.72 121.20 117.35 3mpt s ILE 250 Ca 0.07 -0.37 0.30 0.00 0.00 0.00 0.00 60.65 60.65 3mpt s ILE 250 Cb 0.12 -4.73 0.64 0.00 0.01 0.00 0.00 42.46 38.49 3mpt s ILE 250 CO 0.69 -1.65 2.08 -1.54 0.00 0.00 0.00 174.94 174.52 3mpt n SER 251 N 10.31 0.00 -4.57 3.58 3.41 -0.90 -4.50 113.62 120.95 3mpt n SER 251 Ca 0.27 -0.42 -0.43 0.00 -0.26 0.00 0.00 58.87 58.03 3mpt n SER 251 Cb 0.50 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.22 3mpt n SER 251 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3mpt s SER 252 N -2.38 6.49 0.30 4.04 0.15 -1.04 -4.89 113.70 116.38 3mpt s SER 252 Ca 0.34 0.11 0.02 0.00 0.70 0.00 0.00 55.95 57.12 3mpt s SER 252 Cb 0.20 -2.47 0.46 0.00 -1.71 0.00 0.00 66.02 62.50 3mpt s SER 252 CO 0.42 -1.14 1.79 -0.33 1.20 0.00 0.00 173.24 175.18 3mpt h GLU 253 N 9.17 0.59 -0.24 5.44 5.08 -1.93 0.77 114.58 133.46 3mpt h GLU 253 Ca -0.24 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3mpt h GLU 253 Cb 1.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 3mpt h GLU 253 CO 1.06 0.67 0.14 1.03 -1.00 0.00 0.00 179.01 180.92 3mpt h SER 254 N 0.55 0.30 -0.24 1.42 0.87 -1.95 -0.86 113.55 113.63 3mpt h SER 254 Ca 0.11 -0.06 -0.20 0.00 -1.23 0.00 0.00 61.79 60.41 3mpt h SER 254 Cb 0.47 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 3mpt h SER 254 CO 0.02 0.27 -0.62 0.00 -0.53 0.00 0.00 176.83 175.97 3mpt h ALA 255 N 1.04 0.40 -0.68 6.23 0.00 -1.86 -2.57 119.26 121.83 3mpt h ALA 255 Ca 0.09 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.48 3mpt h ALA 255 Cb 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3mpt h ALA 255 CO -0.02 0.67 0.42 -0.09 0.00 0.00 0.00 179.25 180.24 3mpt h ARG 256 N 0.62 0.81 -0.33 0.00 2.43 -0.72 -1.46 114.38 115.73 3mpt h ARG 256 Ca -0.01 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3mpt h ARG 256 Cb 1.24 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 3mpt h ARG 256 CO 0.13 0.53 0.18 -0.97 -1.51 0.00 0.00 179.97 178.34 3mpt h ASN 257 N 0.83 0.41 -0.03 -3.80 -1.24 -1.14 -2.39 115.58 108.22 3mpt h ASN 257 Ca 0.27 -0.09 0.02 0.00 0.71 0.00 0.00 56.30 57.21 3mpt h ASN 257 Cb 0.01 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 3mpt h ASN 257 CO -0.10 0.38 -0.09 0.22 -1.29 0.00 0.00 177.43 176.55 3mpt h TYR 258 N 0.41 -0.22 -0.69 0.67 3.20 -1.12 -2.87 116.97 116.36 3mpt h TYR 258 Ca 0.12 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.14 3mpt h TYR 258 Cb 0.06 0.10 -0.11 0.00 1.54 0.00 0.00 36.73 38.32 3mpt h TYR 258 CO -0.03 -0.13 0.08 0.82 -1.64 0.00 0.00 178.16 177.26 3mpt h ILE 259 N -0.14 0.48 0.00 1.81 1.08 -1.19 -0.34 117.51 119.22 3mpt h ILE 259 Ca 0.04 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 3mpt h ILE 259 Cb 0.19 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 34.22 3mpt h ILE 259 CO -0.11 0.03 0.00 0.00 -0.69 0.00 0.00 178.15 177.38 3mpt n GLN 260 N -5.23 0.06 0.00 2.37 6.02 -0.91 -1.95 117.38 117.74 3mpt n GLN 260 Ca 0.12 0.41 0.14 0.00 -0.01 0.00 0.00 57.00 57.67 3mpt n GLN 260 Cb 0.42 -1.65 0.67 0.00 1.02 0.00 0.00 30.24 30.70 3mpt n GLN 260 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3mpt n SER 261 N -1.77 0.45 -4.88 1.08 3.41 -0.14 -4.87 113.62 106.91 3mpt n SER 261 Ca 0.01 -0.68 -0.34 0.00 -0.26 0.00 0.00 58.87 57.60 3mpt n SER 261 Cb 0.11 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 3mpt n SER 261 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mpt s LEU 262 N -2.37 4.34 0.23 1.04 1.43 -0.82 -5.03 118.68 117.50 3mpt s LEU 262 Ca 0.32 0.65 -0.31 0.00 -1.03 0.00 0.00 54.13 53.76 3mpt s LEU 262 Cb 0.20 -2.91 -0.11 0.00 0.03 0.00 0.00 46.19 43.41 3mpt s LEU 262 CO 0.45 0.19 1.57 -0.89 0.23 0.00 0.00 176.35 177.89 3mpt s THR 263 N -1.40 2.37 0.39 5.49 2.01 -1.26 -4.93 115.64 118.31 3mpt s THR 263 Ca 0.32 0.29 -0.27 0.00 0.31 0.00 0.00 61.69 62.34 3mpt s THR 263 Cb -0.13 -3.19 -0.09 0.00 0.01 0.00 0.00 72.50 69.10 3mpt s THR 263 CO 0.19 0.04 1.35 -1.10 -0.69 0.00 0.00 174.62 174.41 3mpt s GLN 264 N 0.28 4.02 -0.00 4.92 -0.21 -1.26 -4.92 119.66 122.49 3mpt s GLN 264 Ca 0.66 2.28 0.02 0.00 0.02 0.00 0.00 55.36 58.34 3mpt s GLN 264 Cb -0.45 -2.83 -0.01 0.00 1.00 0.00 0.00 33.01 30.71 3mpt s GLN 264 CO 0.39 -0.49 -0.08 -1.64 -2.12 0.00 0.00 175.29 171.35 3mpt s MET 265 N -2.17 0.64 0.71 2.91 -1.94 -1.26 -4.98 119.30 113.21 3mpt s MET 265 Ca 0.55 -0.31 -0.11 0.00 -1.71 0.00 0.00 55.69 54.11 3mpt s MET 265 Cb -0.41 -0.61 0.02 0.00 2.01 0.00 0.00 34.83 35.84 3mpt s MET 265 CO 0.53 0.17 1.07 -1.25 -0.01 0.00 0.00 175.02 175.53 3mpt s PRO 266 N -0.27 2.83 0.20 2.03 0.04 -1.26 -1.86 135.00 136.71 3mpt s PRO 266 Ca 0.02 0.75 -0.31 0.00 0.04 0.00 0.00 61.00 61.51 3mpt s PRO 266 Cb -0.03 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 3mpt s PRO 266 CO -0.00 -1.12 1.46 0.21 0.04 0.00 0.00 177.00 177.58 3mpt s LYS 267 N -5.15 4.27 0.66 4.56 2.20 -1.26 -3.97 119.74 121.06 3mpt s LYS 267 Ca 0.58 2.26 -0.11 0.00 -0.36 0.00 0.00 55.97 58.34 3mpt s LYS 267 Cb -0.13 -3.15 -0.01 0.00 -1.51 0.00 0.00 37.83 33.03 3mpt s LYS 267 CO 0.54 -0.46 1.05 -1.64 -0.36 0.00 0.00 175.35 174.48 3mpt s MET 268 N 0.30 3.22 -0.33 4.03 -1.94 -0.81 -4.93 119.30 118.83 3mpt s MET 268 Ca 0.63 0.73 -0.29 0.00 -1.71 0.00 0.00 55.69 55.05 3mpt s MET 268 Cb -0.41 -2.04 0.01 0.00 2.01 0.00 0.00 34.83 34.40 3mpt s MET 268 CO 0.37 -0.84 1.30 1.21 -0.01 0.00 0.00 175.02 177.05 3mpt s ASN 269 N -4.12 6.62 0.47 3.03 3.84 -1.26 -4.91 114.94 118.62 3mpt s ASN 269 Ca 0.57 1.07 0.22 0.00 0.21 0.00 0.00 52.86 54.93 3mpt s ASN 269 Cb -0.12 -2.54 1.19 0.00 -0.55 0.00 0.00 41.25 39.23 3mpt s ASN 269 CO 0.54 -1.15 1.99 -0.26 -2.79 0.00 0.00 177.10 175.43 3mpt h PHE 270 N 9.48 0.00 0.00 0.43 -1.00 -1.94 -2.15 116.94 121.76 3mpt h PHE 270 Ca -0.26 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.48 3mpt h PHE 270 Cb 1.09 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.65 3mpt h PHE 270 CO 0.90 0.19 -0.22 0.00 -1.61 0.00 0.00 178.31 177.57 3mpt h ALA 271 N 1.81 1.45 0.00 2.45 0.00 -1.91 0.30 119.26 123.36 3mpt h ALA 271 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3mpt h ALA 271 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3mpt h ALA 271 CO 0.02 0.28 -0.67 0.09 0.00 0.00 0.00 179.25 178.97 3mpt n ASN 272 N -4.01 0.61 -0.03 0.00 3.02 -0.83 -3.85 115.26 110.17 3mpt n ASN 272 Ca -0.02 -0.33 -0.22 0.00 -0.03 0.00 0.00 54.58 53.99 3mpt n ASN 272 Cb 0.30 0.44 -0.13 0.00 -0.61 0.00 0.00 39.78 39.78 3mpt n ASN 272 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3mpt h VAL 273 N 0.00 0.82 -2.54 2.41 2.07 -1.13 -3.40 116.25 114.48 3mpt h VAL 273 Ca 0.00 -2.31 -0.77 0.00 0.82 0.00 0.00 66.70 64.44 3mpt h VAL 273 Cb 0.56 2.47 -0.30 0.00 -1.52 0.00 0.00 31.29 32.50 3mpt h VAL 273 CO 0.00 0.67 0.61 0.49 0.02 0.00 0.00 177.57 179.36 3mpt n PHE 274 N -3.89 2.73 -1.99 1.57 3.72 1.00 -5.04 117.46 115.55 3mpt n PHE 274 Ca -0.30 -2.85 -0.42 0.00 -0.05 0.00 0.00 57.45 53.82 3mpt n PHE 274 Cb 0.90 -1.09 -0.03 0.00 -0.94 0.00 0.00 39.48 38.32 3mpt n PHE 274 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3mpt s ILE 275 N -3.48 3.06 0.00 4.37 -1.09 -1.25 -2.17 121.20 120.64 3mpt s ILE 275 Ca 0.36 0.60 0.00 0.00 -2.23 0.00 0.00 60.65 59.39 3mpt s ILE 275 Cb 0.13 -3.39 0.00 0.00 -1.58 0.00 0.00 42.46 37.62 3mpt s ILE 275 CO -0.01 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.32 3mpt n GLY 276 N 3.84 2.95 3.60 6.18 0.00 -1.26 -5.04 105.19 115.46 3mpt n GLY 276 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3mpt n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mpt n ALA 277 N -0.21 0.02 -1.59 4.61 0.00 -0.92 -4.88 120.51 117.54 3mpt n ALA 277 Ca 0.00 0.21 -0.50 0.00 0.00 0.00 0.00 53.44 53.15 3mpt n ALA 277 Cb 0.00 -2.05 -0.05 0.00 0.00 0.00 0.00 19.45 17.35 3mpt n ALA 277 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mpt n ASN 278 N 0.51 1.64 0.25 0.00 2.85 -1.26 -4.82 115.26 114.42 3mpt n ASN 278 Ca 0.10 1.13 0.08 0.00 -0.11 0.00 0.00 54.58 55.78 3mpt n ASN 278 Cb 0.40 -1.23 0.62 0.00 1.24 0.00 0.00 39.78 40.81 3mpt n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3mpt h PRO 279 N 4.08 0.00 -0.17 1.20 0.11 -1.98 -1.23 132.00 134.02 3mpt h PRO 279 Ca -0.45 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 3mpt h PRO 279 Cb 1.33 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 3mpt h PRO 279 CO 0.75 0.11 -0.38 -0.07 -0.21 0.00 0.00 178.00 178.20 3mpt h LEU 280 N 0.00 0.38 -0.13 2.35 3.38 -1.99 -1.41 115.31 117.89 3mpt h LEU 280 Ca -0.00 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3mpt h LEU 280 Cb 0.20 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3mpt h LEU 280 CO 0.01 0.73 -0.23 0.00 0.09 0.00 0.00 178.44 179.05 3mpt h ALA 281 N 1.29 0.20 -0.12 1.53 0.00 -1.61 -1.76 119.26 118.79 3mpt h ALA 281 Ca 0.03 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.61 3mpt h ALA 281 Cb 0.81 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 3mpt h ALA 281 CO 0.06 0.16 -0.28 0.28 0.00 0.00 0.00 179.25 179.48 3mpt h VAL 282 N -0.03 0.35 -0.57 0.00 2.07 -1.29 -0.25 116.25 116.53 3mpt h VAL 282 Ca 0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 3mpt h VAL 282 Cb 0.81 0.35 -0.10 0.00 -1.52 0.00 0.00 31.29 30.84 3mpt h VAL 282 CO 0.05 0.00 -0.04 -0.78 0.02 0.00 0.00 177.57 176.82 3mpt h ASP 283 N -0.36 -0.34 -0.73 0.57 3.58 -1.22 -1.30 116.42 116.62 3mpt h ASP 283 Ca 0.10 0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.66 3mpt h ASP 283 Cb 0.50 0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.80 3mpt h ASP 283 CO -0.32 -0.13 0.30 0.25 -2.88 0.00 0.00 179.24 176.46 3mpt h LEU 284 N 0.08 1.00 -1.15 2.28 5.85 -0.83 -2.42 115.31 120.12 3mpt h LEU 284 Ca 0.29 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3mpt h LEU 284 Cb 0.45 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 3mpt h LEU 284 CO -0.51 0.89 0.58 -0.07 -0.34 0.00 0.00 178.44 178.98 3mpt h LEU 285 N 1.04 0.97 -1.21 2.25 3.38 -0.01 -1.11 115.31 120.62 3mpt h LEU 285 Ca 0.24 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 3mpt h LEU 285 Cb 0.20 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3mpt h LEU 285 CO -0.02 0.68 -0.39 -0.33 0.09 0.00 0.00 178.44 178.47 3mpt h GLU 286 N 1.13 0.00 0.00 1.13 5.08 -0.88 -0.12 114.58 120.92 3mpt h GLU 286 Ca 0.33 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.60 3mpt h GLU 286 Cb -0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3mpt h GLU 286 CO -0.09 0.39 -0.50 0.87 -1.00 0.00 0.00 179.01 178.68 3mpt h LYS 287 N 0.00 0.00 0.14 2.33 1.57 -0.87 -3.32 116.57 116.43 3mpt h LYS 287 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.42 3mpt h LYS 287 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3mpt h LYS 287 CO 0.05 0.46 -1.86 0.52 -0.57 0.00 0.00 179.45 178.05 3mpt h MET 288 N 0.00 0.31 -2.24 3.15 2.86 -0.94 -0.79 114.93 117.27 3mpt h MET 288 Ca -0.01 -0.52 -0.65 0.00 -2.06 0.00 0.00 59.70 56.46 3mpt h MET 288 Cb 1.36 0.19 -0.18 0.00 0.06 0.00 0.00 31.60 33.04 3mpt h MET 288 CO 0.06 1.22 1.24 1.28 1.06 0.00 0.00 176.91 181.77 3mpt n LEU 289 N -3.51 7.24 -4.73 1.22 4.77 -0.08 -4.37 117.00 117.55 3mpt n LEU 289 Ca -0.27 -4.59 -0.35 0.00 -0.03 0.00 0.00 56.01 50.76 3mpt n LEU 289 Cb 1.06 -1.25 -0.08 0.00 -2.33 0.00 0.00 43.42 40.81 3mpt n LEU 289 CO 0.47 1.89 -0.23 -0.69 -1.33 0.00 0.00 177.39 177.49 3mpt s VAL 290 N -2.43 4.94 0.12 4.08 1.01 -1.26 -4.88 120.40 121.98 3mpt s VAL 290 Ca 0.54 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.40 3mpt s VAL 290 Cb 0.30 -3.17 -0.07 0.00 0.00 0.00 0.00 36.38 33.44 3mpt s VAL 290 CO -0.19 0.54 1.43 0.25 0.00 0.00 0.00 175.10 177.13 3mpt h LEU 291 N 5.80 0.92 -8.65 3.92 5.85 -1.91 -3.39 115.31 117.84 3mpt h LEU 291 Ca -0.46 -0.49 -0.55 0.00 0.84 0.00 0.00 57.88 57.22 3mpt h LEU 291 Cb 1.19 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 3mpt h LEU 291 CO 0.63 1.22 1.18 -0.62 -0.34 0.00 0.00 178.44 180.51 3mpt s ASP 292 N -6.78 5.95 0.41 1.25 -1.08 -1.26 -4.88 116.67 110.28 3mpt s ASP 292 Ca -0.11 0.57 0.10 0.00 -0.52 0.00 0.00 52.55 52.59 3mpt s ASP 292 Cb 0.10 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.94 3mpt s ASP 292 CO 0.87 -1.79 2.00 0.77 0.52 0.00 0.00 175.17 177.54 3mpt h SER 293 N 12.08 0.46 -0.75 -0.34 4.64 -1.98 -1.35 113.55 126.32 3mpt h SER 293 Ca -0.28 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.26 3mpt h SER 293 Cb 1.12 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 3mpt h SER 293 CO 1.14 0.30 0.54 0.44 -0.87 0.00 0.00 176.83 178.38 3mpt h ASP 294 N 0.52 0.01 -0.19 4.97 3.32 -1.94 -2.98 116.42 120.13 3mpt h ASP 294 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3mpt h ASP 294 Cb 0.29 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3mpt h ASP 294 CO -0.07 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.74 3mpt n LYS 295 N -4.32 2.02 -2.34 3.56 5.02 -0.51 -4.98 118.16 116.61 3mpt n LYS 295 Ca 0.15 -1.89 -0.36 0.00 -2.02 0.00 0.00 58.31 54.19 3mpt n LYS 295 Cb 0.81 -1.40 -0.01 0.00 -0.02 0.00 0.00 35.03 34.41 3mpt n LYS 295 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3mpt s ARG 296 N -1.46 3.67 0.53 1.97 0.52 -1.13 -4.97 118.95 118.09 3mpt s ARG 296 Ca 0.28 1.61 -0.22 0.00 -0.52 0.00 0.00 55.73 56.88 3mpt s ARG 296 Cb 0.18 -2.23 -0.06 0.00 0.52 0.00 0.00 34.95 33.36 3mpt s ARG 296 CO 0.25 -0.58 1.31 1.51 0.02 0.00 0.00 175.30 177.81 3mpt n ILE 297 N -0.80 3.65 -2.64 1.52 3.06 -0.30 -5.02 119.36 118.82 3mpt n ILE 297 Ca 0.09 -0.50 -0.22 0.00 -2.50 0.00 0.00 62.75 59.62 3mpt n ILE 297 Cb 0.50 -1.60 0.04 0.00 0.54 0.00 0.00 39.64 39.12 3mpt n ILE 297 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3mpt s THR 298 N -1.30 2.76 0.05 9.51 -4.23 -1.26 -4.90 115.64 116.27 3mpt s THR 298 Ca 0.71 -0.62 -0.25 0.00 -1.18 0.00 0.00 61.69 60.34 3mpt s THR 298 Cb -0.43 -3.04 -0.17 0.00 1.34 0.00 0.00 72.50 70.20 3mpt s THR 298 CO 0.50 -0.03 1.55 0.00 -0.54 0.00 0.00 174.62 176.10 3mpt h ALA 299 N 0.05 -0.22 -0.79 3.99 0.00 -1.92 0.64 119.26 121.01 3mpt h ALA 299 Ca -0.43 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 54.56 3mpt h ALA 299 Cb 1.29 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 19.05 3mpt h ALA 299 CO 0.53 -0.55 0.21 0.00 0.00 0.00 0.00 179.25 179.45 3mpt h ALA 300 N 0.45 1.07 -0.22 0.00 0.00 -1.93 -1.38 119.26 117.25 3mpt h ALA 300 Ca -0.02 0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3mpt h ALA 300 Cb 0.29 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3mpt h ALA 300 CO 0.04 -0.36 -0.50 1.96 0.00 0.00 0.00 179.25 180.39 3mpt h GLN 301 N 0.28 0.61 -0.15 0.00 4.20 -1.89 -3.16 115.11 114.99 3mpt h GLN 301 Ca 0.46 -0.36 -0.11 0.00 0.06 0.00 0.00 58.65 58.71 3mpt h GLN 301 Cb 0.82 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 3mpt h GLN 301 CO -0.54 0.97 -0.37 0.00 -0.67 0.00 0.00 178.83 178.22 3mpt h ALA 302 N 0.97 1.09 0.00 3.87 0.00 0.13 -2.79 119.26 122.53 3mpt h ALA 302 Ca 0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3mpt h ALA 302 Cb 1.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3mpt h ALA 302 CO 0.10 0.58 -0.14 -0.07 0.00 0.00 0.00 179.25 179.71 3mpt h LEU 303 N 0.28 0.00 -1.36 0.00 3.38 -1.26 -1.00 115.31 115.35 3mpt h LEU 303 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3mpt h LEU 303 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3mpt h LEU 303 CO 0.06 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.73 3mpt n ALA 304 N -2.36 2.46 -2.01 1.53 0.00 -1.06 -4.72 120.51 114.35 3mpt n ALA 304 Ca -0.02 -0.65 -0.40 0.00 0.00 0.00 0.00 53.44 52.37 3mpt n ALA 304 Cb 0.24 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 3mpt n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3mpt s HIS 305 N -1.55 3.90 0.54 0.00 5.04 -0.38 -4.95 115.29 117.88 3mpt s HIS 305 Ca 0.27 1.78 0.43 0.00 -1.54 0.00 0.00 55.06 56.01 3mpt s HIS 305 Cb 0.14 -2.94 1.63 0.00 0.04 0.00 0.00 32.58 31.45 3mpt s HIS 305 CO 0.20 0.38 1.68 0.00 -2.34 0.00 0.00 174.74 174.66 3mpt h ALA 306 N 4.74 3.46 -0.50 1.58 0.00 -1.91 -0.45 119.26 126.18 3mpt h ALA 306 Ca -0.45 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.51 3mpt h ALA 306 Cb 1.20 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 3mpt h ALA 306 CO 0.69 -1.93 0.34 -0.92 0.00 0.00 0.00 179.25 177.43 3mpt h TYR 307 N 0.01 0.29 -0.61 0.00 3.20 -1.92 -1.73 116.97 116.21 3mpt h TYR 307 Ca 0.77 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.65 3mpt h TYR 307 Cb 3.03 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 41.20 3mpt h TYR 307 CO -0.00 0.14 0.00 1.19 -1.64 0.00 0.00 178.16 177.85 3mpt n PHE 308 N -4.46 1.57 -0.34 -3.82 3.72 -0.18 -4.60 117.46 109.35 3mpt n PHE 308 Ca 0.08 -0.60 0.17 0.00 -0.05 0.00 0.00 57.45 57.04 3mpt n PHE 308 Cb 0.37 -0.30 0.37 0.00 -0.94 0.00 0.00 39.48 38.98 3mpt n PHE 308 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mpt h ALA 309 N 4.05 1.76 0.00 4.37 0.00 -1.43 0.57 119.26 128.58 3mpt h ALA 309 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3mpt h ALA 309 Cb 1.53 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 3mpt h ALA 309 CO 0.29 -0.25 -0.16 1.96 0.00 0.00 0.00 179.25 181.09 3mpt h GLN 310 N 0.59 0.00 0.00 0.00 1.08 -1.83 -3.31 115.11 111.64 3mpt h GLN 310 Ca 0.63 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.78 3mpt h GLN 310 Cb 1.18 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 3mpt h GLN 310 CO -0.47 0.16 -1.34 0.66 -0.95 0.00 0.00 178.83 176.89 3mpt n TYR 311 N -3.83 0.00 -1.69 2.96 4.01 0.62 -5.04 117.16 114.20 3mpt n TYR 311 Ca -0.02 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.28 3mpt n TYR 311 Cb 0.26 -0.22 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 3mpt n TYR 311 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 3mpt n HIS 312 N -2.00 2.39 -3.39 -0.72 -0.00 0.17 -4.99 115.22 106.68 3mpt n HIS 312 Ca -0.06 0.27 -0.14 0.00 0.46 0.00 0.00 57.72 58.25 3mpt n HIS 312 Cb 0.46 -2.55 -0.09 0.00 -0.12 0.00 0.00 29.99 27.69 3mpt n HIS 312 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3mpt s ASP 313 N 0.74 1.04 0.61 0.26 -1.08 -1.26 -4.98 116.67 112.01 3mpt s ASP 313 Ca 0.74 -0.31 0.41 0.00 -0.52 0.00 0.00 52.55 52.86 3mpt s ASP 313 Cb -0.62 0.73 2.16 0.00 -1.46 0.00 0.00 42.92 43.73 3mpt s ASP 313 CO 0.41 -0.35 2.25 -0.65 0.52 0.00 0.00 175.17 177.35 3mpt h PRO 314 N 8.24 0.00 -0.06 4.34 0.11 -1.97 -0.89 132.00 141.77 3mpt h PRO 314 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3mpt h PRO 314 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3mpt h PRO 314 CO 0.30 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.84 3mpt n ASP 315 N -2.99 2.06 -2.60 -2.05 8.00 -1.26 -4.14 116.55 113.58 3mpt n ASP 315 Ca -0.02 -1.70 -0.13 0.00 0.71 0.00 0.00 54.79 53.65 3mpt n ASP 315 Cb 0.10 -0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.20 3mpt n ASP 315 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3mpt n ASP 316 N 0.61 2.46 -3.32 -2.24 2.03 -0.34 -4.88 116.55 110.87 3mpt n ASP 316 Ca 0.17 -2.93 -0.25 0.00 0.52 0.00 0.00 54.79 52.29 3mpt n ASP 316 Cb 0.44 -0.50 -0.08 0.00 -0.72 0.00 0.00 41.12 40.26 3mpt n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3mpt n GLU 317 N -0.26 0.83 -2.08 -0.67 1.02 -1.23 -4.87 120.64 113.37 3mpt n GLU 317 Ca 0.18 -3.44 -0.34 0.00 -0.02 0.00 0.00 57.16 53.54 3mpt n GLU 317 Cb 0.79 -1.52 0.01 0.00 -0.02 0.00 0.00 31.44 30.70 3mpt n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3mpt s PRO 318 N -0.98 3.24 0.41 3.49 0.04 -1.26 -4.97 135.00 134.95 3mpt s PRO 318 Ca 0.34 1.39 0.02 0.00 0.04 0.00 0.00 61.00 62.79 3mpt s PRO 318 Cb 0.12 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 3mpt s PRO 318 CO -0.13 -0.90 0.60 0.14 0.04 0.00 0.00 177.00 176.75 3mpt s VAL 319 N -2.18 4.10 0.44 -0.36 -7.23 -1.26 -4.21 120.40 109.70 3mpt s VAL 319 Ca 0.67 -0.66 -0.04 0.00 -1.81 0.00 0.00 61.98 60.14 3mpt s VAL 319 Cb -0.19 -3.48 -0.04 0.00 0.56 0.00 0.00 36.38 33.23 3mpt s VAL 319 CO 0.33 -0.29 0.73 0.00 -0.31 0.00 0.00 175.10 175.56 3mpt s ALA 320 N -2.42 3.47 0.79 1.32 0.00 -1.26 -5.03 121.76 118.64 3mpt s ALA 320 Ca 0.47 -0.57 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 3mpt s ALA 320 Cb -0.10 -2.49 0.07 0.00 0.00 0.00 0.00 23.12 20.60 3mpt s ALA 320 CO 0.36 -0.24 1.09 -0.51 0.00 0.00 0.00 175.76 176.46 3mpt s ASP 321 N -3.99 4.37 0.34 0.00 1.01 -1.26 -4.77 116.67 112.36 3mpt s ASP 321 Ca 0.46 1.72 -0.29 0.00 0.71 0.00 0.00 52.55 55.15 3mpt s ASP 321 Cb -0.10 -2.43 -0.11 0.00 1.01 0.00 0.00 42.92 41.29 3mpt s ASP 321 CO 0.42 -2.11 1.51 -2.84 0.21 0.00 0.00 175.17 172.36 3mpt s PRO 322 N -4.93 4.14 -0.30 8.23 0.02 -1.26 -4.69 135.00 136.21 3mpt s PRO 322 Ca 0.61 2.54 -0.03 0.00 0.02 0.00 0.00 61.00 64.14 3mpt s PRO 322 Cb -0.17 -3.00 0.04 0.00 0.02 0.00 0.00 34.50 31.39 3mpt s PRO 322 CO 0.56 -0.54 0.02 -0.47 -0.33 0.00 0.00 177.00 176.24 3mpt s TYR 323 N -0.64 3.24 -0.53 6.54 5.04 -1.26 -5.08 117.35 124.66 3mpt s TYR 323 Ca 0.57 -1.71 -0.27 0.00 -2.44 0.00 0.00 57.07 53.22 3mpt s TYR 323 Cb -0.46 -2.14 0.03 0.00 0.35 0.00 0.00 41.96 39.73 3mpt s TYR 323 CO 0.56 -0.77 1.10 0.34 -1.34 0.00 0.00 175.55 175.44 3mpt s ASP 324 N 1.30 6.49 -0.29 4.32 -1.08 -1.26 -4.88 116.67 121.28 3mpt s ASP 324 Ca -0.04 0.15 0.08 0.00 -0.52 0.00 0.00 52.55 52.22 3mpt s ASP 324 Cb -0.19 -2.52 0.45 0.00 -1.46 0.00 0.00 42.92 39.20 3mpt s ASP 324 CO -0.00 -1.32 1.29 0.00 0.52 0.00 0.00 175.17 175.66 3mpt n GLN 325 N 7.96 2.62 0.30 4.34 10.64 -1.26 -4.66 117.38 137.32 3mpt n GLN 325 Ca 0.08 -3.69 0.17 0.00 -1.83 0.00 0.00 57.00 51.73 3mpt n GLN 325 Cb 0.49 -1.99 0.97 0.00 -0.86 0.00 0.00 30.24 28.85 3mpt n GLN 325 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3mpt h SER 326 N 1.60 0.00 0.14 2.61 4.64 -2.02 -0.88 113.55 119.64 3mpt h SER 326 Ca 0.24 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 3mpt h SER 326 Cb 1.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3mpt h SER 326 CO 0.50 0.02 -0.03 2.19 -0.87 0.00 0.00 176.83 178.64 3mpt h PHE 327 N 0.00 0.00 -0.89 4.77 -5.15 -1.97 -3.09 116.94 110.61 3mpt h PHE 327 Ca -0.00 0.00 0.06 0.00 -0.20 0.00 0.00 57.97 57.83 3mpt h PHE 327 Cb 0.06 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 36.17 3mpt h PHE 327 CO 0.00 0.03 0.56 0.93 -2.00 0.00 0.00 178.31 177.83 3mpt h GLU 328 N 0.00 1.00 -0.71 6.09 4.39 -1.54 -2.22 114.58 121.59 3mpt h GLU 328 Ca -0.00 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 3mpt h GLU 328 Cb 0.11 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 3mpt h GLU 328 CO 0.00 0.66 0.07 -1.13 -1.16 0.00 0.00 179.01 177.45 3mpt n SER 329 N -4.58 4.60 -4.79 1.42 3.41 -1.17 -4.92 113.62 107.59 3mpt n SER 329 Ca 0.13 -2.80 -0.36 0.00 -0.26 0.00 0.00 58.87 55.58 3mpt n SER 329 Cb 0.16 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.38 3mpt n SER 329 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3mpt s ARG 330 N -2.42 3.81 -0.43 4.33 3.52 -0.84 -5.08 118.95 121.86 3mpt s ARG 330 Ca 0.43 -0.19 -0.16 0.00 -0.13 0.00 0.00 55.73 55.69 3mpt s ARG 330 Cb 0.33 -3.29 0.03 0.00 -1.56 0.00 0.00 34.95 30.46 3mpt s ARG 330 CO 0.12 0.53 0.36 -0.51 -0.81 0.00 0.00 175.30 174.99 3mpt s ASP 331 N -0.30 6.14 0.22 -2.12 1.01 -1.26 -5.05 116.67 115.31 3mpt s ASP 331 Ca 0.11 -0.91 0.06 0.00 0.71 0.00 0.00 52.55 52.53 3mpt s ASP 331 Cb -0.12 -2.18 -0.05 0.00 1.01 0.00 0.00 42.92 41.58 3mpt s ASP 331 CO 0.01 -0.53 -0.09 -0.76 0.21 0.00 0.00 175.17 174.01 3mpt s LEU 332 N 1.82 2.48 0.65 1.23 1.43 -1.26 -5.16 118.68 119.87 3mpt s LEU 332 Ca 0.07 -1.10 -0.08 0.00 -1.03 0.00 0.00 54.13 51.99 3mpt s LEU 332 Cb -0.19 -0.56 0.02 0.00 0.03 0.00 0.00 46.19 45.48 3mpt s LEU 332 CO 0.10 -0.29 0.99 -0.76 0.23 0.00 0.00 176.35 176.62 3mpt s LEU 333 N -3.33 3.06 0.16 1.79 1.43 -1.26 -4.89 118.68 115.63 3mpt s LEU 333 Ca 0.25 0.86 -0.19 0.00 -1.03 0.00 0.00 54.13 54.02 3mpt s LEU 333 Cb 0.02 -3.65 0.07 0.00 0.03 0.00 0.00 46.19 42.66 3mpt s LEU 333 CO 0.08 -1.23 1.66 0.40 0.23 0.00 0.00 176.35 177.48 3mpt h ILE 334 N -0.41 0.53 -0.86 -0.59 2.04 -1.93 -1.94 117.51 114.34 3mpt h ILE 334 Ca -0.45 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.56 3mpt h ILE 334 Cb 1.26 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.81 3mpt h ILE 334 CO 0.62 0.00 0.56 0.44 0.00 0.00 0.00 178.15 179.77 3mpt h ASP 335 N -0.09 0.56 0.03 1.72 3.32 -1.96 -0.40 116.42 119.61 3mpt h ASP 335 Ca 0.17 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 57.13 3mpt h ASP 335 Cb 0.35 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.84 3mpt h ASP 335 CO -0.40 0.27 -0.53 -0.33 -1.72 0.00 0.00 179.24 176.54 3mpt h GLU 336 N 0.59 0.30 -0.37 3.56 5.08 -1.76 -1.77 114.58 120.21 3mpt h GLU 336 Ca 0.44 -0.36 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3mpt h GLU 336 Cb 0.82 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 3mpt h GLU 336 CO -0.19 1.08 0.25 -1.49 -1.00 0.00 0.00 179.01 177.67 3mpt h TRP 337 N -0.33 0.32 -0.22 4.33 4.06 -1.09 -1.43 115.95 121.60 3mpt h TRP 337 Ca -0.08 0.01 -0.18 0.00 2.06 0.00 0.00 58.89 60.70 3mpt h TRP 337 Cb 1.29 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 3mpt h TRP 337 CO 0.18 0.18 -0.58 -0.22 -3.56 0.00 0.00 178.44 174.44 3mpt h LYS 338 N 0.33 0.78 -0.09 0.49 3.64 -1.05 -0.67 116.57 120.00 3mpt h LYS 338 Ca 0.16 -0.55 -0.02 0.00 -1.27 0.00 0.00 60.65 58.97 3mpt h LYS 338 Cb 0.21 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3mpt h LYS 338 CO -0.03 1.17 -0.02 1.03 -2.27 0.00 0.00 179.45 179.33 3mpt h SER 339 N 0.51 0.18 -0.61 4.20 0.87 -1.00 -0.95 113.55 116.75 3mpt h SER 339 Ca -0.01 -0.36 0.13 0.00 -1.23 0.00 0.00 61.79 60.31 3mpt h SER 339 Cb 1.20 -0.05 -0.10 0.00 -0.44 0.00 0.00 62.40 63.01 3mpt h SER 339 CO 0.13 0.49 0.02 -0.07 -0.53 0.00 0.00 176.83 176.87 3mpt h LEU 340 N -0.15 -0.23 -0.25 2.23 3.38 -1.30 -1.08 115.31 117.92 3mpt h LEU 340 Ca 0.02 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.16 3mpt h LEU 340 Cb 0.42 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3mpt h LEU 340 CO 0.01 -0.10 0.11 0.74 0.09 0.00 0.00 178.44 179.30 3mpt h THR 341 N 0.14 0.98 -0.27 0.22 2.02 -0.81 -2.47 112.91 112.72 3mpt h THR 341 Ca 0.32 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.48 3mpt h THR 341 Cb 0.51 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.57 3mpt h THR 341 CO -0.51 0.05 -0.15 0.22 0.37 0.00 0.00 175.52 175.50 3mpt h TYR 342 N 0.25 -0.37 -1.00 3.16 3.20 -0.65 -0.32 116.97 121.24 3mpt h TYR 342 Ca 0.10 0.03 0.14 0.00 3.14 0.00 0.00 58.73 62.15 3mpt h TYR 342 Cb 0.04 0.20 -0.09 0.00 1.54 0.00 0.00 36.73 38.42 3mpt h TYR 342 CO -0.10 -0.22 0.62 -0.44 -1.64 0.00 0.00 178.16 176.38 3mpt h ASP 343 N -0.12 0.87 -0.13 -2.11 3.32 -1.05 -0.12 116.42 117.07 3mpt h ASP 343 Ca 0.14 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 3mpt h ASP 343 Cb 0.34 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3mpt h ASP 343 CO -0.34 0.42 -0.30 -0.33 -1.72 0.00 0.00 179.24 176.96 3mpt h GLU 344 N 0.91 0.61 0.03 3.56 4.39 -0.64 -1.76 114.58 121.68 3mpt h GLU 344 Ca 0.52 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 3mpt h GLU 344 Cb 0.63 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3mpt h GLU 344 CO -0.30 0.84 -0.01 0.28 -1.16 0.00 0.00 179.01 178.66 3mpt h VAL 345 N 0.53 1.21 -0.64 3.13 2.07 -0.31 -3.17 116.25 119.07 3mpt h VAL 345 Ca 0.06 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.88 3mpt h VAL 345 Cb 0.78 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 3mpt h VAL 345 CO 0.06 0.19 0.37 0.40 0.02 0.00 0.00 177.57 178.62 3mpt h ILE 346 N -0.36 1.03 -0.28 4.57 1.08 -1.00 -2.95 117.51 119.59 3mpt h ILE 346 Ca -0.00 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 3mpt h ILE 346 Cb 0.34 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 34.34 3mpt h ILE 346 CO 0.01 0.13 0.00 -1.54 -0.69 0.00 0.00 178.15 176.06 3mpt n SER 347 N -4.75 2.09 -4.71 1.72 3.41 -0.67 -4.91 113.62 105.79 3mpt n SER 347 Ca 0.07 -2.13 -0.42 0.00 -0.26 0.00 0.00 58.87 56.13 3mpt n SER 347 Cb 0.12 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 3mpt n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3mpt s PHE 348 N -1.64 3.28 -0.21 7.33 5.36 -1.12 -5.01 117.98 125.98 3mpt s PHE 348 Ca 0.21 1.14 -0.03 0.00 -0.96 0.00 0.00 56.93 57.29 3mpt s PHE 348 Cb 0.13 -3.52 -0.01 0.00 -0.34 0.00 0.00 43.02 39.28 3mpt s PHE 348 CO 0.11 -1.71 -0.06 0.08 -1.46 0.00 0.00 175.22 172.19 3mpt s VAL 349 N 1.39 3.29 0.89 3.12 1.01 -1.26 -5.06 120.40 123.78 3mpt s VAL 349 Ca 0.60 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 3mpt s VAL 349 Cb -0.31 -2.48 0.13 0.00 0.00 0.00 0.00 36.38 33.72 3mpt s VAL 349 CO 0.28 0.44 1.15 -2.16 0.00 0.00 0.00 175.10 174.82 3mpt s PRO 350 N 1.29 1.19 0.70 2.72 0.04 -1.26 -4.98 135.00 134.69 3mpt s PRO 350 Ca 0.03 1.57 -0.14 0.00 0.04 0.00 0.00 61.00 62.50 3mpt s PRO 350 Cb -0.14 -1.75 0.02 0.00 0.04 0.00 0.00 34.50 32.67 3mpt s PRO 350 CO -0.03 -2.51 1.12 -1.25 0.04 0.00 0.00 177.00 174.37 3mpt s PRO 351 N -4.57 2.57 0.00 0.56 0.04 -1.26 -5.16 135.00 127.18 3mpt s PRO 351 Ca 0.68 1.38 0.31 0.00 0.04 0.00 0.00 61.00 63.40 3mpt s PRO 351 Cb -0.23 -1.92 1.66 0.00 0.04 0.00 0.00 34.50 34.04 3mpt s PRO 351 CO 0.56 -1.43 2.09 -0.35 0.04 0.00 0.00 177.00 177.92