#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2baq s PRO 6 N 0.00 1.09 -0.06 -0.14 0.04 -1.26 -5.07 135.00 129.60 2baq s PRO 6 Ca 0.00 0.40 -0.03 0.00 0.04 0.00 0.00 61.00 61.42 2baq s PRO 6 Cb 0.00 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 2baq s PRO 6 CO 0.00 -2.25 0.07 0.95 0.04 0.00 0.00 177.00 175.81 2baq s THR 7 N -3.18 4.81 0.34 1.26 -4.23 -1.26 -5.04 115.64 108.34 2baq s THR 7 Ca 0.64 -0.19 0.07 0.00 -1.18 0.00 0.00 61.69 61.02 2baq s THR 7 Cb -0.16 -3.12 -0.02 0.00 1.34 0.00 0.00 72.50 70.55 2baq s THR 7 CO 0.54 0.50 0.40 -0.36 -0.54 0.00 0.00 174.62 175.16 2baq s PHE 8 N -1.05 3.02 0.04 3.99 0.40 -1.26 -2.14 117.98 120.98 2baq s PHE 8 Ca 0.18 -0.26 0.02 0.00 -0.60 0.00 0.00 56.93 56.27 2baq s PHE 8 Cb -0.12 -1.92 -0.02 0.00 0.51 0.00 0.00 43.02 41.47 2baq s PHE 8 CO 0.08 0.06 -0.07 1.52 0.70 0.00 0.00 175.22 177.51 2baq s TYR 9 N -2.23 0.59 0.28 0.36 1.13 0.19 -4.81 117.35 112.85 2baq s TYR 9 Ca 0.43 -0.50 0.07 0.00 -1.41 0.00 0.00 57.07 55.66 2baq s TYR 9 Cb -0.08 -0.36 -0.03 0.00 -1.10 0.00 0.00 41.96 40.39 2baq s TYR 9 CO 0.29 -0.10 0.30 1.03 -2.51 0.00 0.00 175.55 174.56 2baq s ARG 10 N -1.55 3.05 -0.29 -3.49 0.52 -1.26 -2.29 118.95 113.65 2baq s ARG 10 Ca -0.11 -1.02 -0.16 0.00 -0.52 0.00 0.00 55.73 53.92 2baq s ARG 10 Cb -0.10 -2.67 0.18 0.00 0.52 0.00 0.00 34.95 32.88 2baq s ARG 10 CO 0.00 0.29 1.12 -1.14 0.02 0.00 0.00 175.30 175.59 2baq s GLN 11 N -3.96 0.21 -0.43 3.54 0.74 -0.81 -4.95 119.66 113.98 2baq s GLN 11 Ca 0.37 0.36 -0.12 0.00 0.05 0.00 0.00 55.36 56.01 2baq s GLN 11 Cb -0.08 0.04 0.07 0.00 1.10 0.00 0.00 33.01 34.14 2baq s GLN 11 CO 0.27 -0.04 0.31 -2.00 -0.55 0.00 0.00 175.29 173.28 2baq s GLU 12 N 1.18 2.81 -0.20 1.67 2.12 -1.26 0.17 118.70 125.20 2baq s GLU 12 Ca -0.09 -1.33 0.01 0.00 0.36 0.00 0.00 54.97 53.92 2baq s GLU 12 Cb -0.03 -3.93 0.05 0.00 0.26 0.00 0.00 34.13 30.48 2baq s GLU 12 CO -0.12 -0.94 -0.08 -0.48 -0.54 0.00 0.00 175.26 173.10 2baq s LEU 13 N 1.55 2.24 -0.32 2.70 0.05 -0.58 -4.80 118.68 119.52 2baq s LEU 13 Ca 0.03 -0.94 -0.00 0.00 0.05 0.00 0.00 54.13 53.27 2baq s LEU 13 Cb -0.23 -1.15 -0.00 0.00 -2.05 0.00 0.00 46.19 42.75 2baq s LEU 13 CO 0.05 -0.18 0.27 0.59 -0.55 0.00 0.00 176.35 176.53 2baq n ASN 14 N 4.72 -2.22 0.00 1.48 4.13 -1.26 -3.82 115.26 118.28 2baq n ASN 14 Ca -0.13 -0.17 0.00 0.00 1.68 0.00 0.00 54.58 55.95 2baq n ASN 14 Cb 0.46 -1.77 0.00 0.00 -1.54 0.00 0.00 39.78 36.93 2baq n ASN 14 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2baq n LYS 15 N -1.88 0.00 -3.56 3.52 5.02 -1.26 -4.93 118.16 115.07 2baq n LYS 15 Ca -0.07 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.85 2baq n LYS 15 Cb 0.54 -3.40 -0.06 0.00 -0.02 0.00 0.00 35.03 32.09 2baq n LYS 15 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2baq s THR 16 N -0.78 5.10 0.00 -0.18 -1.32 -1.25 -5.09 115.64 112.11 2baq s THR 16 Ca 0.00 0.68 -0.19 0.00 -1.21 0.00 0.00 61.69 60.97 2baq s THR 16 Cb 0.00 -3.66 -0.06 0.00 -1.51 0.00 0.00 72.50 67.27 2baq s THR 16 CO 0.00 0.52 0.54 -0.63 -2.21 0.00 0.00 174.62 172.83 2baq s ILE 17 N -1.15 4.93 -0.13 5.08 1.09 -1.26 -1.53 121.20 128.23 2baq s ILE 17 Ca 0.25 1.12 0.02 0.00 -1.10 0.00 0.00 60.65 60.93 2baq s ILE 17 Cb -0.16 -3.87 0.02 0.00 -1.06 0.00 0.00 42.46 37.39 2baq s ILE 17 CO 0.13 0.47 -0.17 0.26 -0.10 0.00 0.00 174.94 175.54 2baq s TRP 18 N -0.48 2.22 -0.50 3.97 0.52 0.46 -4.96 118.94 120.17 2baq s TRP 18 Ca 0.28 -1.13 0.04 0.00 0.02 0.00 0.00 56.10 55.32 2baq s TRP 18 Cb -0.18 -1.58 0.13 0.00 -1.15 0.00 0.00 33.47 30.69 2baq s TRP 18 CO 0.16 -0.57 0.24 -2.00 0.02 0.00 0.00 176.95 174.80 2baq s GLU 19 N 1.07 1.91 0.26 4.98 2.12 -1.26 -1.93 118.70 125.86 2baq s GLU 19 Ca -0.04 -2.54 0.09 0.00 0.36 0.00 0.00 54.97 52.84 2baq s GLU 19 Cb -0.14 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 2baq s GLU 19 CO -0.04 -1.10 0.07 0.14 -0.54 0.00 0.00 175.26 173.79 2baq s VAL 20 N -0.17 3.81 0.20 3.70 -7.23 -0.97 -4.50 120.40 115.25 2baq s VAL 20 Ca 0.16 -1.73 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 2baq s VAL 20 Cb -0.25 -3.05 -0.09 0.00 0.56 0.00 0.00 36.38 33.55 2baq s VAL 20 CO -0.01 -0.37 1.26 -2.84 -0.31 0.00 0.00 175.10 172.83 2baq s PRO 21 N -3.74 4.44 0.45 4.82 0.02 -1.26 0.52 135.00 140.25 2baq s PRO 21 Ca 0.32 1.98 0.39 0.00 0.02 0.00 0.00 61.00 63.71 2baq s PRO 21 Cb -0.07 -3.21 1.42 0.00 0.02 0.00 0.00 34.50 32.67 2baq s PRO 21 CO 0.22 -0.17 1.32 0.39 -0.33 0.00 0.00 177.00 178.43 2baq n GLU 22 N 2.45 -0.01 0.16 5.54 1.02 -0.91 -0.05 120.64 128.85 2baq n GLU 22 Ca 0.05 0.95 0.11 0.00 -0.02 0.00 0.00 57.16 58.25 2baq n GLU 22 Cb 0.44 -2.12 0.58 0.00 -0.02 0.00 0.00 31.44 30.32 2baq n GLU 22 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2baq n ARG 23 N -3.81 0.14 -3.80 3.49 0.63 -1.26 -4.11 116.66 107.94 2baq n ARG 23 Ca 0.37 0.64 -0.37 0.00 -0.92 0.00 0.00 57.85 57.57 2baq n ARG 23 Cb 1.62 -1.96 -0.12 0.00 0.45 0.00 0.00 32.46 32.45 2baq n ARG 23 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2baq s TYR 24 N -3.54 3.35 0.31 -0.14 2.02 0.93 -0.19 117.35 120.09 2baq s TYR 24 Ca -0.02 -1.84 0.09 0.00 -0.37 0.00 0.00 57.07 54.92 2baq s TYR 24 Cb 0.06 -2.52 -0.04 0.00 -0.40 0.00 0.00 41.96 39.06 2baq s TYR 24 CO 0.19 -0.83 0.07 -0.65 -1.57 0.00 0.00 175.55 172.76 2baq s GLN 25 N 1.29 2.30 -1.10 -0.62 -1.52 0.25 -4.79 119.66 115.47 2baq s GLN 25 Ca -0.00 -1.53 -0.07 0.00 -1.95 0.00 0.00 55.36 51.81 2baq s GLN 25 Cb -0.21 -2.13 -0.05 0.00 -0.22 0.00 0.00 33.01 30.41 2baq s GLN 25 CO -0.00 0.21 0.90 0.09 -0.25 0.00 0.00 175.29 176.24 2baq n ASN 26 N -1.02 -5.53 -4.65 5.90 3.02 -1.26 -0.07 115.26 111.65 2baq n ASN 26 Ca -0.05 -0.75 -0.42 0.00 -0.03 0.00 0.00 54.58 53.33 2baq n ASN 26 Cb 0.61 -4.88 -0.03 0.00 -0.61 0.00 0.00 39.78 34.87 2baq n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2baq s LEU 27 N -5.75 4.15 -0.24 3.41 1.02 -1.26 -4.13 118.68 115.88 2baq s LEU 27 Ca 0.37 2.05 -0.02 0.00 0.02 0.00 0.00 54.13 56.55 2baq s LEU 27 Cb -0.06 -3.53 0.02 0.00 0.02 0.00 0.00 46.19 42.63 2baq s LEU 27 CO 0.76 -1.09 -0.07 -0.44 0.02 0.00 0.00 176.35 175.53 2baq s SER 28 N 3.94 4.21 -0.01 2.29 0.01 0.40 -4.94 113.70 119.59 2baq s SER 28 Ca 0.75 -0.74 -0.30 0.00 1.31 0.00 0.00 55.95 56.97 2baq s SER 28 Cb -0.31 -1.67 -0.06 0.00 0.21 0.00 0.00 66.02 64.19 2baq s SER 28 CO 0.30 -0.09 1.61 -2.84 0.41 0.00 0.00 173.24 172.63 2baq s PRO 29 N 1.36 4.20 0.00 12.44 0.02 -1.26 0.15 135.00 151.91 2baq s PRO 29 Ca 0.02 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.24 2baq s PRO 29 Cb -0.16 -3.80 0.00 0.00 0.02 0.00 0.00 34.50 30.56 2baq s PRO 29 CO -0.05 -0.77 0.26 0.44 -0.33 0.00 0.00 177.00 176.55 2baq n ILE 30 N 5.12 0.00 0.00 2.83 -5.35 -0.93 -4.87 119.36 116.17 2baq n ILE 30 Ca 0.16 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 2baq n ILE 30 Cb 0.42 1.38 0.00 0.00 -1.74 0.00 0.00 39.64 39.70 2baq n ILE 30 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2baq n GLY 31 N 0.06 1.24 3.31 3.28 0.00 -1.16 -5.03 105.19 106.89 2baq n GLY 31 Ca 0.00 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 2baq n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2baq s SER 32 N 0.00 2.27 0.20 1.61 0.01 -1.25 -0.51 113.70 116.04 2baq s SER 32 Ca 0.00 -1.01 -0.16 0.00 1.31 0.00 0.00 55.95 56.09 2baq s SER 32 Cb 0.00 -0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.16 2baq s SER 32 CO 0.00 -0.23 0.50 -0.83 0.41 0.00 0.00 173.24 173.09 2baq s GLY 33 N -3.25 0.09 0.21 3.44 0.00 0.24 0.11 107.32 108.17 2baq s GLY 33 Ca 0.20 -0.42 -0.11 0.00 0.00 0.00 0.00 44.72 44.39 2baq s GLY 33 CO 0.04 -0.39 1.68 0.00 0.00 0.00 0.00 173.10 174.43 2baq h ALA 34 N 2.24 0.63 -0.00 3.20 0.00 -2.00 -2.95 119.26 120.38 2baq h ALA 34 Ca -0.28 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2baq h ALA 34 Cb 1.25 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2baq h ALA 34 CO 0.38 -0.37 -0.71 0.66 0.00 0.00 0.00 179.25 179.21 2baq n TYR 35 N -5.23 0.00 -1.33 0.00 0.53 -1.26 -4.85 117.16 105.01 2baq n TYR 35 Ca 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.97 2baq n TYR 35 Cb 0.34 -0.10 0.00 0.00 -1.03 0.00 0.00 39.34 38.55 2baq n TYR 35 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2baq n GLY 36 N 1.48 -1.33 3.32 2.72 0.00 -1.12 -0.61 105.19 109.65 2baq n GLY 36 Ca 0.06 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 2baq n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2baq s SER 37 N -1.69 3.38 -0.18 1.61 0.01 -0.79 0.83 113.70 116.87 2baq s SER 37 Ca 0.00 -0.43 -0.06 0.00 1.31 0.00 0.00 55.95 56.77 2baq s SER 37 Cb 0.00 -0.97 -0.04 0.00 0.21 0.00 0.00 66.02 65.23 2baq s SER 37 CO 0.00 0.25 0.03 -0.69 0.41 0.00 0.00 173.24 173.24 2baq s VAL 38 N -0.18 4.50 -0.04 3.43 1.01 0.33 -0.85 120.40 128.60 2baq s VAL 38 Ca -0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 2baq s VAL 38 Cb -0.14 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 2baq s VAL 38 CO 0.03 0.46 0.00 0.00 0.00 0.00 0.00 175.10 175.60 2baq s ALA 40 N -0.99 2.51 -0.28 0.00 0.00 0.41 0.10 121.76 123.50 2baq s ALA 40 Ca 0.17 0.53 -0.25 0.00 0.00 0.00 0.00 51.96 52.41 2baq s ALA 40 Cb -0.11 -3.31 0.12 0.00 0.00 0.00 0.00 23.12 19.82 2baq s ALA 40 CO 0.07 -1.22 1.03 0.00 0.00 0.00 0.00 175.76 175.64 2baq s ALA 41 N -2.35 -1.97 -0.17 0.00 0.00 -0.39 -0.45 121.76 116.42 2baq s ALA 41 Ca 0.67 1.89 -0.17 0.00 0.00 0.00 0.00 51.96 54.34 2baq s ALA 41 Cb -0.20 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 2baq s ALA 41 CO 0.41 -0.24 0.44 0.12 0.00 0.00 0.00 175.76 176.49 2baq s PHE 42 N 0.25 3.42 -0.41 0.00 5.36 0.90 -0.30 117.98 127.20 2baq s PHE 42 Ca 0.03 0.73 -0.19 0.00 -0.96 0.00 0.00 56.93 56.54 2baq s PHE 42 Cb -0.05 -2.55 0.01 0.00 -0.34 0.00 0.00 43.02 40.10 2baq s PHE 42 CO -0.06 0.05 0.53 0.34 -1.46 0.00 0.00 175.22 174.62 2baq s ASP 43 N 0.88 6.28 0.30 6.13 2.15 -0.29 -0.58 116.67 131.54 2baq s ASP 43 Ca 0.22 -0.36 0.25 0.00 0.43 0.00 0.00 52.55 53.10 2baq s ASP 43 Cb -0.15 -2.27 1.03 0.00 -0.30 0.00 0.00 42.92 41.23 2baq s ASP 43 CO 0.09 -0.62 1.76 0.71 -0.17 0.00 0.00 175.17 176.93 2baq h THR 44 N 5.75 0.00 0.05 1.71 1.35 -0.88 0.13 112.91 121.01 2baq h THR 44 Ca -0.26 -0.29 -0.19 0.00 -0.55 0.00 0.00 66.41 65.11 2baq h THR 44 Cb 1.11 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 2baq h THR 44 CO 0.82 0.00 -0.99 0.50 -0.25 0.00 0.00 175.52 175.60 2baq h LYS 45 N 0.00 0.11 0.00 4.72 3.64 -1.92 -3.38 116.57 119.74 2baq h LYS 45 Ca 0.00 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2baq h LYS 45 Cb 0.41 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2baq h LYS 45 CO 0.00 1.09 -1.09 0.25 -2.27 0.00 0.00 179.45 177.43 2baq n THR 46 N -4.26 0.01 -1.30 1.00 -2.24 -1.20 -4.97 114.28 101.32 2baq n THR 46 Ca -0.23 -0.08 -0.09 0.00 -2.27 0.00 0.00 64.05 61.38 2baq n THR 46 Cb 0.73 0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 69.68 2baq n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2baq n GLY 47 N 1.46 0.99 3.72 3.38 0.00 0.44 -5.01 105.19 110.18 2baq n GLY 47 Ca 0.03 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 2baq n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2baq s LEU 48 N -2.01 3.50 0.30 0.99 1.43 -1.20 -4.92 118.68 116.77 2baq s LEU 48 Ca 0.00 -0.34 -0.25 0.00 -1.03 0.00 0.00 54.13 52.50 2baq s LEU 48 Cb 0.00 -2.10 -0.10 0.00 0.03 0.00 0.00 46.19 44.03 2baq s LEU 48 CO 0.00 0.05 0.91 -0.13 0.23 0.00 0.00 176.35 177.41 2baq s ARG 49 N -3.24 4.56 0.17 1.70 0.52 -1.26 -1.13 118.95 120.26 2baq s ARG 49 Ca 0.30 1.27 0.01 0.00 -0.52 0.00 0.00 55.73 56.79 2baq s ARG 49 Cb -0.09 -2.85 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 2baq s ARG 49 CO 0.21 0.32 0.03 0.14 0.02 0.00 0.00 175.30 176.02 2baq s VAL 50 N -1.56 0.46 0.04 3.52 -7.23 0.59 -3.20 120.40 113.02 2baq s VAL 50 Ca 0.48 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.72 2baq s VAL 50 Cb -0.19 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 2baq s VAL 50 CO 0.24 -0.41 0.02 0.00 -0.31 0.00 0.00 175.10 174.64 2baq s ALA 51 N -3.81 3.37 -0.19 1.32 0.00 0.37 -1.27 121.76 121.55 2baq s ALA 51 Ca 0.26 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 2baq s ALA 51 Cb 0.07 -1.33 0.05 0.00 0.00 0.00 0.00 23.12 21.91 2baq s ALA 51 CO 0.04 0.69 -0.02 0.08 0.00 0.00 0.00 175.76 176.56 2baq s VAL 52 N -1.23 0.99 -0.26 0.00 1.01 0.12 -1.00 120.40 120.03 2baq s VAL 52 Ca 0.24 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 2baq s VAL 52 Cb -0.12 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 2baq s VAL 52 CO 0.15 -0.07 0.53 -0.75 0.00 0.00 0.00 175.10 174.97 2baq s LYS 53 N 1.66 4.08 -0.31 2.72 2.20 0.11 0.18 119.74 130.37 2baq s LYS 53 Ca -0.02 0.36 -0.18 0.00 -0.36 0.00 0.00 55.97 55.77 2baq s LYS 53 Cb -0.17 -3.65 -0.01 0.00 -1.51 0.00 0.00 37.83 32.48 2baq s LYS 53 CO -0.07 -0.36 0.51 0.21 -0.36 0.00 0.00 175.35 175.27 2baq s LYS 54 N 2.33 3.82 0.18 4.03 2.20 -0.03 -0.14 119.74 132.13 2baq s LYS 54 Ca 0.22 0.04 -0.32 0.00 -0.36 0.00 0.00 55.97 55.55 2baq s LYS 54 Cb -0.16 -3.74 -0.11 0.00 -1.51 0.00 0.00 37.83 32.32 2baq s LYS 54 CO 0.09 -0.51 1.61 -0.51 -0.36 0.00 0.00 175.35 175.67 2baq s LEU 55 N 2.35 4.37 -0.19 5.43 1.43 -0.74 -1.89 118.68 129.44 2baq s LEU 55 Ca 0.19 2.69 -0.20 0.00 -1.03 0.00 0.00 54.13 55.78 2baq s LEU 55 Cb -0.15 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 2baq s LEU 55 CO 0.12 -0.87 0.60 -0.94 0.23 0.00 0.00 176.35 175.49 2baq s SER 56 N 1.16 6.66 -1.08 2.29 1.04 0.22 -4.27 113.70 119.72 2baq s SER 56 Ca 0.71 0.80 -0.03 0.00 0.48 0.00 0.00 55.95 57.92 2baq s SER 56 Cb -0.45 -2.33 -0.03 0.00 0.10 0.00 0.00 66.02 63.30 2baq s SER 56 CO 0.31 -0.24 0.92 0.54 0.98 0.00 0.00 173.24 175.76 2baq n ARG 57 N 4.91 -4.36 0.06 4.02 5.12 -1.26 -4.75 116.66 120.39 2baq n ARG 57 Ca -0.02 0.83 0.01 0.00 -1.93 0.00 0.00 57.85 56.73 2baq n ARG 57 Cb 0.50 -5.71 0.35 0.00 -1.16 0.00 0.00 32.46 26.44 2baq n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2baq h PRO 58 N -1.45 0.39 -1.23 5.56 0.13 -1.83 -3.27 132.00 130.30 2baq h PRO 58 Ca -0.58 -0.08 -0.49 0.00 -0.87 0.00 0.00 66.00 63.98 2baq h PRO 58 Cb 1.31 -0.06 -0.41 0.00 0.13 0.00 0.00 31.00 31.97 2baq h PRO 58 CO 0.45 0.46 -0.93 1.19 -0.23 0.00 0.00 178.00 178.95 2baq n PHE 59 N -4.29 2.45 0.00 1.56 3.72 -1.26 -2.90 117.46 116.74 2baq n PHE 59 Ca 0.00 -2.89 -0.20 0.00 -0.05 0.00 0.00 57.45 54.32 2baq n PHE 59 Cb 0.25 -0.21 -0.14 0.00 -0.94 0.00 0.00 39.48 38.43 2baq n PHE 59 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2baq n GLN 60 N -0.35 0.75 -4.25 -1.08 7.27 -1.23 -4.92 117.38 113.57 2baq n GLN 60 Ca 0.27 0.27 -0.14 0.00 0.07 0.00 0.00 57.00 57.47 2baq n GLN 60 Cb 0.75 -1.72 -0.10 0.00 2.41 0.00 0.00 30.24 31.57 2baq n GLN 60 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2baq s SER 61 N -6.92 0.63 0.25 1.69 1.04 -1.26 -5.02 113.70 104.12 2baq s SER 61 Ca -0.20 -1.37 -0.04 0.00 0.48 0.00 0.00 55.95 54.83 2baq s SER 61 Cb 0.07 0.27 0.36 0.00 0.10 0.00 0.00 66.02 66.82 2baq s SER 61 CO 0.78 -0.78 1.87 0.40 0.98 0.00 0.00 173.24 176.50 2baq h ILE 62 N 2.54 1.09 -0.05 -1.02 2.04 -1.94 0.18 117.51 120.35 2baq h ILE 62 Ca -0.37 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 2baq h ILE 62 Cb 1.24 -0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2baq h ILE 62 CO 0.57 0.20 0.02 0.40 0.00 0.00 0.00 178.15 179.35 2baq h ILE 63 N 1.11 1.12 -0.46 -0.67 2.04 -1.96 -1.64 117.51 117.05 2baq h ILE 63 Ca 0.40 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.93 2baq h ILE 63 Cb 0.14 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2baq h ILE 63 CO -0.16 0.10 0.29 0.45 0.00 0.00 0.00 178.15 178.82 2baq h HIS 64 N -0.05 0.54 -0.23 1.37 3.86 -1.81 -1.81 115.15 117.03 2baq h HIS 64 Ca 0.02 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.28 2baq h HIS 64 Cb 0.14 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 2baq h HIS 64 CO -0.03 0.32 0.00 0.00 0.86 0.00 0.00 177.93 179.09 2baq h ALA 65 N 1.19 0.20 -0.24 2.45 0.00 -0.51 -0.15 119.26 122.20 2baq h ALA 65 Ca 0.18 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2baq h ALA 65 Cb -0.02 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2baq h ALA 65 CO -0.06 -0.42 0.02 -0.22 0.00 0.00 0.00 179.25 178.57 2baq h LYS 66 N 0.07 0.40 -0.60 0.00 3.64 -1.25 -1.84 116.57 117.00 2baq h LYS 66 Ca 0.11 -0.12 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 2baq h LYS 66 Cb 0.13 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 2baq h LYS 66 CO -0.18 0.56 0.32 -0.09 -2.27 0.00 0.00 179.45 177.79 2baq h ARG 67 N 0.19 0.57 -0.80 1.90 2.43 -1.08 0.47 114.38 118.07 2baq h ARG 67 Ca 0.07 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2baq h ARG 67 Cb 0.36 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 2baq h ARG 67 CO 0.01 0.38 0.42 1.15 -1.51 0.00 0.00 179.97 180.42 2baq h THR 68 N 0.59 1.24 -0.20 0.20 2.02 -0.95 0.23 112.91 116.04 2baq h THR 68 Ca 0.27 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 2baq h THR 68 Cb 0.18 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 2baq h THR 68 CO -0.18 0.27 -0.02 0.22 0.37 0.00 0.00 175.52 176.17 2baq h TYR 69 N 1.11 0.41 -0.61 3.16 3.20 -0.26 -2.40 116.97 121.59 2baq h TYR 69 Ca 0.28 -0.08 0.08 0.00 3.14 0.00 0.00 58.73 62.14 2baq h TYR 69 Cb 0.05 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.16 2baq h TYR 69 CO 0.00 0.59 0.27 -0.09 -1.64 0.00 0.00 178.16 177.30 2baq h ARG 70 N 0.11 0.48 -0.07 1.82 2.43 0.29 -0.42 114.38 119.02 2baq h ARG 70 Ca 0.05 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2baq h ARG 70 Cb 0.45 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2baq h ARG 70 CO 0.02 0.32 0.02 1.49 -1.51 0.00 0.00 179.97 180.31 2baq h GLU 71 N 0.50 0.10 -0.61 0.20 4.81 -0.40 -2.06 114.58 117.12 2baq h GLU 71 Ca 0.29 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.52 2baq h GLU 71 Cb 0.29 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 2baq h GLU 71 CO -0.25 0.25 0.38 1.25 -0.73 0.00 0.00 179.01 179.92 2baq h LEU 72 N -0.06 0.64 -0.98 1.64 5.85 -1.15 -1.35 115.31 119.89 2baq h LEU 72 Ca 0.02 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2baq h LEU 72 Cb 0.19 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2baq h LEU 72 CO -0.00 0.45 0.47 0.03 -0.34 0.00 0.00 178.44 179.05 2baq h ARG 73 N 0.76 1.19 -0.11 1.25 2.47 -0.95 -1.25 114.38 117.74 2baq h ARG 73 Ca 0.24 -0.13 -0.14 0.00 -1.26 0.00 0.00 59.98 58.69 2baq h ARG 73 Cb -0.01 -0.24 0.01 0.00 -1.65 0.00 0.00 29.97 28.08 2baq h ARG 73 CO -0.09 0.86 -0.48 -0.07 0.56 0.00 0.00 179.97 180.76 2baq h LEU 74 N 1.20 0.61 -0.62 3.04 3.38 -1.07 -2.88 115.31 118.97 2baq h LEU 74 Ca 0.30 -0.63 -0.14 0.00 0.09 0.00 0.00 57.88 57.50 2baq h LEU 74 Cb 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2baq h LEU 74 CO -0.05 1.14 -0.45 -0.07 0.09 0.00 0.00 178.44 179.10 2baq h LEU 75 N 0.12 0.61 -2.26 1.67 3.38 -1.07 -0.66 115.31 117.10 2baq h LEU 75 Ca -0.03 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 2baq h LEU 75 Cb 1.12 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2baq h LEU 75 CO 0.10 0.98 -0.02 0.11 0.09 0.00 0.00 178.44 179.69 2baq h LYS 76 N 0.46 0.00 0.00 1.13 1.57 -1.28 -2.57 116.57 115.88 2baq h LYS 76 Ca 0.03 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.63 2baq h LYS 76 Cb 0.96 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 2baq h LYS 76 CO 0.09 0.02 -1.70 1.58 -0.57 0.00 0.00 179.45 178.87 2baq n HIS 77 N -4.01 0.65 -2.14 -1.35 -0.00 -0.55 -4.85 115.22 102.97 2baq n HIS 77 Ca -0.03 0.22 -0.43 0.00 0.46 0.00 0.00 57.72 57.94 2baq n HIS 77 Cb 0.11 -0.99 -0.02 0.00 -0.12 0.00 0.00 29.99 28.97 2baq n HIS 77 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 2baq s MET 78 N -2.92 3.55 -0.31 1.57 -1.94 -0.36 -4.94 119.30 113.94 2baq s MET 78 Ca -0.05 1.37 -0.02 0.00 -1.71 0.00 0.00 55.69 55.28 2baq s MET 78 Cb 0.09 -4.09 0.10 0.00 2.01 0.00 0.00 34.83 32.94 2baq s MET 78 CO 0.83 -1.59 0.12 0.15 -0.01 0.00 0.00 175.02 174.52 2baq s LYS 79 N 5.13 0.57 -0.20 2.03 1.02 -1.26 -4.44 119.74 122.59 2baq s LYS 79 Ca 0.72 -0.97 -0.29 0.00 0.02 0.00 0.00 55.97 55.45 2baq s LYS 79 Cb -0.21 -1.71 0.13 0.00 -0.52 0.00 0.00 37.83 35.52 2baq s LYS 79 CO 0.32 -1.02 1.03 -1.58 -0.92 0.00 0.00 175.35 173.18 2baq s HIS 80 N 1.67 -0.37 0.49 3.18 2.46 -1.26 -5.04 115.29 116.42 2baq s HIS 80 Ca 0.10 0.70 0.24 0.00 0.47 0.00 0.00 55.06 56.58 2baq s HIS 80 Cb -0.18 0.43 1.46 0.00 -0.13 0.00 0.00 32.58 34.17 2baq s HIS 80 CO -0.26 -0.29 2.12 0.93 -2.47 0.00 0.00 174.74 174.77 2baq h GLU 81 N 2.91 0.00 -0.13 2.88 3.07 -1.99 -3.15 114.58 118.17 2baq h GLU 81 Ca -0.20 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.66 2baq h GLU 81 Cb 1.17 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2baq h GLU 81 CO 0.26 0.08 -0.00 0.09 -1.40 0.00 0.00 179.01 178.04 2baq n ASN 82 N -3.94 3.11 -3.75 1.42 4.13 -1.26 -4.68 115.26 110.29 2baq n ASN 82 Ca -0.02 -3.07 -0.16 0.00 1.68 0.00 0.00 54.58 53.01 2baq n ASN 82 Cb 0.17 -0.49 -0.16 0.00 -1.54 0.00 0.00 39.78 37.76 2baq n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2baq s VAL 83 N -2.86 -0.07 0.07 2.41 1.01 -1.19 -0.99 120.40 118.78 2baq s VAL 83 Ca 0.37 0.26 -0.31 0.00 0.00 0.00 0.00 61.98 62.31 2baq s VAL 83 Cb 0.31 -0.10 -0.09 0.00 0.00 0.00 0.00 36.38 36.51 2baq s VAL 83 CO 0.06 0.11 1.74 -0.51 0.00 0.00 0.00 175.10 176.49 2baq s ILE 84 N 1.29 2.95 0.16 2.22 2.07 -0.36 -4.41 121.20 125.13 2baq s ILE 84 Ca -0.06 0.33 0.09 0.00 -1.41 0.00 0.00 60.65 59.60 2baq s ILE 84 Cb -0.13 -3.22 -0.04 0.00 0.13 0.00 0.00 42.46 39.21 2baq s ILE 84 CO -0.03 -0.01 -0.19 -0.83 -1.91 0.00 0.00 174.94 171.97 2baq s GLY 85 N 2.80 1.41 -0.22 1.50 0.00 -1.26 -4.82 107.32 106.73 2baq s GLY 85 Ca 0.77 -1.48 -0.29 0.00 0.00 0.00 0.00 44.72 43.72 2baq s GLY 85 CO 0.34 -1.52 1.52 -2.27 0.00 0.00 0.00 173.10 171.17 2baq s LEU 86 N -2.58 3.95 0.03 0.66 2.96 -1.20 -4.50 118.68 118.01 2baq s LEU 86 Ca 0.15 1.59 -0.02 0.00 -0.22 0.00 0.00 54.13 55.63 2baq s LEU 86 Cb -0.06 -3.53 -0.27 0.00 0.50 0.00 0.00 46.19 42.82 2baq s LEU 86 CO 0.07 -1.15 0.95 0.25 -1.32 0.00 0.00 176.35 175.15 2baq h LEU 87 N 11.22 0.36 -7.00 -0.68 5.85 -1.02 -3.44 115.31 120.60 2baq h LEU 87 Ca -0.32 -0.46 0.01 0.00 0.84 0.00 0.00 57.88 57.96 2baq h LEU 87 Cb 1.14 -0.12 -0.22 0.00 0.37 0.00 0.00 40.66 41.83 2baq h LEU 87 CO 1.00 1.37 0.35 -0.62 -0.34 0.00 0.00 178.44 180.20 2baq s ASP 88 N -6.97 -0.54 0.00 1.25 2.15 -0.90 -4.52 116.67 107.14 2baq s ASP 88 Ca -0.07 0.74 0.03 0.00 0.43 0.00 0.00 52.55 53.69 2baq s ASP 88 Cb 0.07 0.65 -0.01 0.00 -0.30 0.00 0.00 42.92 43.33 2baq s ASP 88 CO 0.86 -0.39 -0.11 0.54 -0.17 0.00 0.00 175.17 175.90 2baq s VAL 89 N -0.70 0.83 0.31 1.11 0.11 -1.26 -0.44 120.40 120.36 2baq s VAL 89 Ca -0.04 -0.57 -0.19 0.00 -2.93 0.00 0.00 61.98 58.25 2baq s VAL 89 Cb -0.02 -0.72 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 2baq s VAL 89 CO 0.03 0.15 0.72 0.72 -3.33 0.00 0.00 175.10 173.38 2baq s PHE 90 N -0.42 -0.04 -0.19 1.54 -0.12 -0.90 -5.01 117.98 112.84 2baq s PHE 90 Ca 0.03 -0.46 -0.17 0.00 -0.05 0.00 0.00 56.93 56.28 2baq s PHE 90 Cb -0.05 0.69 0.05 0.00 -0.63 0.00 0.00 43.02 43.08 2baq s PHE 90 CO -0.00 -1.31 0.51 -0.08 -0.05 0.00 0.00 175.22 174.29 2baq s THR 91 N -3.49 -0.00 -0.09 -4.49 -1.32 -1.26 -1.85 115.64 103.13 2baq s THR 91 Ca 0.13 0.01 0.27 0.00 -1.21 0.00 0.00 61.69 60.89 2baq s THR 91 Cb -0.05 -0.72 0.27 0.00 -1.51 0.00 0.00 72.50 70.49 2baq s THR 91 CO 0.09 0.00 1.81 1.55 -2.21 0.00 0.00 174.62 175.86 2baq h PRO 92 N 5.62 0.00 -6.48 7.08 0.13 -1.80 -3.44 132.00 133.11 2baq h PRO 92 Ca -0.29 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.31 2baq h PRO 92 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2baq h PRO 92 CO 0.20 0.00 0.58 0.00 -0.23 0.00 0.00 178.00 178.55 2baq s ALA 93 N -3.61 3.41 -1.92 -0.56 0.00 -1.26 -4.94 121.76 112.89 2baq s ALA 93 Ca -0.01 0.87 0.27 0.00 0.00 0.00 0.00 51.96 53.09 2baq s ALA 93 Cb 0.08 -3.46 0.93 0.00 0.00 0.00 0.00 23.12 20.67 2baq s ALA 93 CO 0.29 -0.46 1.67 0.54 0.00 0.00 0.00 175.76 177.80 2baq n ARG 94 N 3.98 1.01 -3.73 0.00 1.74 -1.26 -4.90 116.66 113.51 2baq n ARG 94 Ca 0.09 -0.55 -0.10 0.00 -0.77 0.00 0.00 57.85 56.52 2baq n ARG 94 Cb 0.46 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.36 2baq n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2baq s SER 95 N -2.37 -0.19 0.53 0.55 1.04 -1.26 -5.06 113.70 106.94 2baq s SER 95 Ca 0.29 -0.47 0.18 0.00 0.48 0.00 0.00 55.95 56.42 2baq s SER 95 Cb 0.20 0.50 1.34 0.00 0.10 0.00 0.00 66.02 68.16 2baq s SER 95 CO 0.47 -0.93 2.16 0.25 0.98 0.00 0.00 173.24 176.17 2baq h LEU 96 N 2.34 0.00 0.21 2.42 5.85 -1.95 -0.83 115.31 123.34 2baq h LEU 96 Ca -0.32 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 2baq h LEU 96 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2baq h LEU 96 CO 0.44 0.00 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.11 2baq h GLU 97 N 0.00 -0.27 0.00 1.25 3.07 -2.00 -2.94 114.58 113.69 2baq h GLU 97 Ca 0.01 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 2baq h GLU 97 Cb 0.02 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2baq h GLU 97 CO -0.00 0.04 -0.04 1.05 -1.40 0.00 0.00 179.01 178.66 2baq h GLU 98 N -0.59 0.00 -5.18 2.33 4.11 -1.96 -3.46 114.58 109.84 2baq h GLU 98 Ca -0.03 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.06 2baq h GLU 98 Cb 0.43 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 2baq h GLU 98 CO 0.05 0.04 1.47 0.34 0.07 0.00 0.00 179.01 180.98 2baq n PHE 99 N -3.15 0.65 -0.21 2.06 7.35 -0.33 -4.77 117.46 119.06 2baq n PHE 99 Ca 0.01 0.12 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 2baq n PHE 99 Cb 0.35 -1.84 0.00 0.00 0.35 0.00 0.00 39.48 38.34 2baq n PHE 99 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2baq n ASN 100 N 11.47 1.00 -3.77 -2.13 3.02 -1.26 -5.03 115.26 118.56 2baq n ASN 100 Ca 0.58 -1.21 -0.13 0.00 -0.03 0.00 0.00 54.58 53.80 2baq n ASN 100 Cb 0.24 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.29 2baq n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2baq s ASP 101 N -0.21 -0.29 -0.12 6.41 1.01 -1.26 -4.67 116.67 117.54 2baq s ASP 101 Ca 0.00 0.56 -0.00 0.00 0.71 0.00 0.00 52.55 53.82 2baq s ASP 101 Cb 0.00 0.55 0.02 0.00 1.01 0.00 0.00 42.92 44.50 2baq s ASP 101 CO 0.00 -0.10 -0.10 -0.69 0.21 0.00 0.00 175.17 174.49 2baq s VAL 102 N 0.29 1.21 -0.09 -1.27 1.01 -1.26 -4.48 120.40 115.81 2baq s VAL 102 Ca -0.01 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.59 2baq s VAL 102 Cb -0.03 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 2baq s VAL 102 CO -0.01 0.40 -0.16 -0.31 0.00 0.00 0.00 175.10 175.02 2baq s TYR 103 N 1.63 2.70 -0.11 5.22 1.51 -0.77 -1.78 117.35 125.74 2baq s TYR 103 Ca 0.05 -0.49 0.01 0.00 -1.01 0.00 0.00 57.07 55.63 2baq s TYR 103 Cb -0.13 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 39.99 2baq s TYR 103 CO -0.09 -0.07 -0.15 -0.51 -1.11 0.00 0.00 175.55 173.62 2baq s LEU 104 N -0.14 2.63 -0.10 -1.29 1.43 0.80 -2.11 118.68 119.91 2baq s LEU 104 Ca -0.02 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.78 2baq s LEU 104 Cb -0.14 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.51 2baq s LEU 104 CO 0.04 0.19 -0.23 -0.69 0.23 0.00 0.00 176.35 175.89 2baq s VAL 105 N 0.20 1.94 0.00 -1.59 1.01 0.42 0.06 120.40 122.44 2baq s VAL 105 Ca -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.94 2baq s VAL 105 Cb -0.15 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2baq s VAL 105 CO 0.05 0.53 0.00 0.35 0.00 0.00 0.00 175.10 176.04 2baq n THR 106 N 3.56 0.00 -2.69 3.92 -2.24 -0.17 -0.33 114.28 116.33 2baq n THR 106 Ca -0.19 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.25 2baq n THR 106 Cb 0.53 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 2baq n THR 106 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2baq s HIS 107 N -3.64 3.18 0.01 4.78 3.76 -1.26 -0.48 115.29 121.63 2baq s HIS 107 Ca 0.00 1.60 -0.26 0.00 -0.15 0.00 0.00 55.06 56.25 2baq s HIS 107 Cb 0.00 -2.95 -0.04 0.00 1.11 0.00 0.00 32.58 30.69 2baq s HIS 107 CO 0.00 -0.44 0.81 -1.17 -0.85 0.00 0.00 174.74 173.10 2baq s LEU 108 N -3.28 4.39 -0.05 0.89 2.96 -1.19 -3.90 118.68 118.51 2baq s LEU 108 Ca 0.64 1.45 -0.04 0.00 -0.22 0.00 0.00 54.13 55.96 2baq s LEU 108 Cb -0.13 -3.30 -0.01 0.00 0.50 0.00 0.00 46.19 43.25 2baq s LEU 108 CO 0.17 -0.10 -0.07 0.23 -1.32 0.00 0.00 176.35 175.26 2baq n MET 109 N 3.37 0.14 0.00 1.98 2.81 -1.26 -4.91 117.12 119.26 2baq n MET 109 Ca 0.00 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.14 2baq n MET 109 Cb 0.51 -0.95 0.00 0.00 -0.71 0.00 0.00 33.22 32.07 2baq n MET 109 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2baq n GLY 110 N 1.64 2.15 0.00 3.03 0.00 -1.26 -4.27 105.19 106.48 2baq n GLY 110 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2baq n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2baq n ALA 111 N 0.00 0.00 -3.00 4.61 0.00 -0.60 -5.00 120.51 116.52 2baq n ALA 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2baq n ALA 111 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2baq n ALA 111 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2baq n ASP 112 N 0.00 1.24 -4.37 0.00 8.00 -1.26 -2.42 116.55 117.76 2baq n ASP 112 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 2baq n ASP 112 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 2baq n ASP 112 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2baq s LEU 113 N 0.00 2.36 0.00 0.64 1.43 0.34 -4.60 118.68 118.85 2baq s LEU 113 Ca 0.00 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 2baq s LEU 113 Cb 0.00 -1.07 0.00 0.00 0.03 0.00 0.00 46.19 45.15 2baq s LEU 113 CO 0.00 0.11 0.00 0.00 0.23 0.00 0.00 176.35 176.69 2baq n LEU 122 N 0.69 0.00 -4.74 1.79 -0.00 -1.26 -4.87 117.00 108.61 2baq n LEU 122 Ca -0.16 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.50 2baq n LEU 122 Cb 0.54 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 44.02 2baq n LEU 122 CO 0.25 0.00 0.81 -0.89 -0.00 0.00 0.00 177.39 177.56 2baq s THR 123 N -2.93 2.60 0.49 1.47 2.01 -1.26 -4.80 115.64 113.23 2baq s THR 123 Ca 0.00 0.33 0.24 0.00 0.31 0.00 0.00 61.69 62.56 2baq s THR 123 Cb 0.00 -2.98 0.41 0.00 0.01 0.00 0.00 72.50 69.94 2baq s THR 123 CO 0.00 -0.13 1.93 -0.78 -0.69 0.00 0.00 174.62 174.96 2baq h ASP 124 N 0.29 0.14 0.02 3.53 3.58 -1.99 -0.70 116.42 121.30 2baq h ASP 124 Ca -0.49 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 56.85 2baq h ASP 124 Cb 1.29 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.31 2baq h ASP 124 CO 0.53 0.07 -0.40 -0.78 -2.88 0.00 0.00 179.24 175.77 2baq h ASP 125 N 0.15 0.52 0.27 2.28 3.58 -1.99 -1.94 116.42 119.29 2baq h ASP 125 Ca 0.35 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 2baq h ASP 125 Cb 1.17 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.08 2baq h ASP 125 CO -0.05 0.87 -0.13 0.45 -2.88 0.00 0.00 179.24 177.49 2baq h HIS 126 N 0.41 -0.34 -0.41 0.28 3.86 -1.52 -1.42 115.15 116.01 2baq h HIS 126 Ca 0.04 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.32 2baq h HIS 126 Cb 0.88 0.11 -0.07 0.00 1.06 0.00 0.00 27.41 29.39 2baq h HIS 126 CO 0.03 -0.12 -0.04 0.28 0.86 0.00 0.00 177.93 178.94 2baq h VAL 127 N -0.50 0.65 -0.28 2.45 2.07 -1.33 0.47 116.25 119.78 2baq h VAL 127 Ca -0.04 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.53 2baq h VAL 127 Cb 0.37 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 2baq h VAL 127 CO 0.06 0.01 -0.21 1.56 0.02 0.00 0.00 177.57 179.01 2baq h GLN 128 N 0.06 -0.19 0.22 1.57 4.20 -1.31 0.40 115.11 120.07 2baq h GLN 128 Ca 0.20 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 2baq h GLN 128 Cb 0.30 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2baq h GLN 128 CO -0.37 -0.12 -0.11 0.35 -0.67 0.00 0.00 178.83 177.91 2baq h PHE 129 N -0.19 -0.27 0.19 2.96 3.57 -0.11 0.29 116.94 123.37 2baq h PHE 129 Ca 0.15 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.65 2baq h PHE 129 Cb 0.42 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 2baq h PHE 129 CO -0.39 0.04 -0.51 -0.07 -2.23 0.00 0.00 178.31 175.15 2baq h LEU 130 N -0.60 -1.52 -0.64 0.59 3.38 -0.73 -1.41 115.31 114.38 2baq h LEU 130 Ca -0.03 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.13 2baq h LEU 130 Cb 0.44 0.55 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 2baq h LEU 130 CO 0.05 -0.57 0.38 0.40 0.09 0.00 0.00 178.44 178.79 2baq h ILE 131 N -0.79 1.05 -0.79 1.22 1.08 -0.24 -1.38 117.51 117.66 2baq h ILE 131 Ca -0.01 -0.25 0.18 0.00 -0.39 0.00 0.00 64.86 64.38 2baq h ILE 131 Cb 0.77 0.25 -0.14 0.00 -3.07 0.00 0.00 36.82 34.63 2baq h ILE 131 CO -0.25 0.13 -0.07 0.22 -0.69 0.00 0.00 178.15 177.50 2baq h TYR 132 N 0.74 -0.18 -0.09 1.37 3.20 -0.42 -0.85 116.97 120.73 2baq h TYR 132 Ca 0.26 0.06 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 2baq h TYR 132 Cb 0.06 0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.54 2baq h TYR 132 CO -0.06 -0.30 -0.17 1.96 -1.64 0.00 0.00 178.16 177.95 2baq h GLN 133 N 0.05 0.27 -0.42 1.82 4.20 -0.33 0.10 115.11 120.81 2baq h GLN 133 Ca 0.42 -0.18 0.08 0.00 0.06 0.00 0.00 58.65 59.04 2baq h GLN 133 Cb 0.73 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.44 2baq h GLN 133 CO -0.75 0.77 -0.29 0.82 -0.67 0.00 0.00 178.83 178.71 2baq h ILE 134 N -0.19 0.27 -0.13 2.54 2.04 -0.86 0.14 117.51 121.32 2baq h ILE 134 Ca 0.00 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 2baq h ILE 134 Cb 0.76 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2baq h ILE 134 CO 0.04 0.00 -0.23 -0.07 0.00 0.00 0.00 178.15 177.89 2baq h LEU 135 N -0.21 0.22 -0.75 1.44 3.38 -0.92 0.57 115.31 119.04 2baq h LEU 135 Ca 0.19 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2baq h LEU 135 Cb 0.51 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2baq h LEU 135 CO -0.54 0.46 0.21 -0.09 0.09 0.00 0.00 178.44 178.58 2baq h ARG 136 N 0.21 1.16 -0.22 1.13 2.43 -0.33 0.11 114.38 118.86 2baq h ARG 136 Ca 0.03 -0.26 -0.15 0.00 -0.81 0.00 0.00 59.98 58.79 2baq h ARG 136 Cb 0.53 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2baq h ARG 136 CO 0.04 1.00 -0.49 0.78 -1.51 0.00 0.00 179.97 179.78 2baq h GLY 137 N 1.11 0.65 2.00 2.80 0.00 0.78 -3.05 103.07 107.36 2baq h GLY 137 Ca 0.24 -0.71 -0.14 0.00 0.00 0.00 0.00 47.33 46.72 2baq h GLY 137 CO -0.00 0.64 -0.65 1.41 0.00 0.00 0.00 176.54 177.94 2baq h LEU 138 N 0.47 0.00 -0.09 3.11 3.38 0.22 -2.45 115.31 119.95 2baq h LEU 138 Ca 0.02 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.03 2baq h LEU 138 Cb 1.02 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 2baq h LEU 138 CO 0.10 0.65 -0.20 0.50 0.09 0.00 0.00 178.44 179.58 2baq h LYS 139 N 0.00 -0.26 0.23 1.13 3.64 -0.72 -0.95 116.57 119.64 2baq h LYS 139 Ca -0.01 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2baq h LYS 139 Cb 1.26 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2baq h LYS 139 CO 0.08 -0.18 -0.17 -0.92 -2.27 0.00 0.00 179.45 176.00 2baq h TYR 140 N -0.27 -0.45 -0.70 1.91 5.03 -1.52 0.84 116.97 121.81 2baq h TYR 140 Ca 0.09 -0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.48 2baq h TYR 140 Cb 0.40 0.17 -0.11 0.00 1.55 0.00 0.00 36.73 38.74 2baq h TYR 140 CO -0.29 -0.24 -0.53 0.82 -1.32 0.00 0.00 178.16 176.60 2baq h ILE 141 N -0.38 0.02 -0.99 1.81 2.04 -1.45 0.35 117.51 118.91 2baq h ILE 141 Ca -0.03 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.02 2baq h ILE 141 Cb 0.31 0.02 -0.10 0.00 -0.74 0.00 0.00 36.82 36.32 2baq h ILE 141 CO 0.01 0.00 0.61 0.45 0.00 0.00 0.00 178.15 179.23 2baq h HIS 142 N -0.19 0.96 0.00 1.37 3.86 -1.17 0.15 115.15 120.13 2baq h HIS 142 Ca 0.15 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2baq h HIS 142 Cb 0.53 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 2baq h HIS 142 CO -0.84 0.23 -0.00 0.66 0.86 0.00 0.00 177.93 178.84 2baq h SER 143 N 0.70 0.00 -0.74 2.45 4.64 0.23 -1.01 113.55 119.82 2baq h SER 143 Ca 0.55 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.55 2baq h SER 143 Cb 0.94 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.84 2baq h SER 143 CO -0.33 0.00 0.41 0.00 -0.87 0.00 0.00 176.83 176.04 2baq n ALA 144 N -2.42 4.73 -2.28 5.18 0.00 0.50 -4.82 120.51 121.40 2baq n ALA 144 Ca -0.03 -2.21 -0.16 0.00 0.00 0.00 0.00 53.44 51.04 2baq n ALA 144 Cb 0.09 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 2baq n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2baq n ASP 145 N -0.52 -4.62 -4.80 0.00 8.00 -0.38 -4.43 116.55 109.80 2baq n ASP 145 Ca 0.43 0.15 -0.34 0.00 0.71 0.00 0.00 54.79 55.74 2baq n ASP 145 Cb 1.37 -3.93 -0.07 0.00 -0.02 0.00 0.00 41.12 38.48 2baq n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2baq s ILE 146 N -2.72 4.92 -0.19 0.53 1.01 -1.11 -5.02 121.20 118.63 2baq s ILE 146 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.47 2baq s ILE 146 Cb 0.00 -3.19 0.04 0.00 0.01 0.00 0.00 42.46 39.31 2baq s ILE 146 CO 0.00 0.47 -0.13 -0.63 0.00 0.00 0.00 174.94 174.65 2baq s ILE 147 N -1.10 1.78 0.14 2.92 1.01 -1.26 -3.44 121.20 121.24 2baq s ILE 147 Ca 0.19 -0.99 -0.19 0.00 0.00 0.00 0.00 60.65 59.66 2baq s ILE 147 Cb -0.12 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.60 2baq s ILE 147 CO 0.09 0.28 1.68 -0.74 0.00 0.00 0.00 174.94 176.26 2baq h HIS 148 N 7.96 -0.21 0.00 3.97 -0.00 -1.97 -3.45 115.15 121.44 2baq h HIS 148 Ca -0.33 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 2baq h HIS 148 Cb 1.11 0.13 0.00 0.00 -0.00 0.00 0.00 27.41 28.65 2baq h HIS 148 CO 0.51 -0.15 0.00 -2.13 -0.00 0.00 0.00 177.93 176.16 2baq n ARG 149 N -5.26 0.00 -1.61 5.26 0.63 -1.26 -4.62 116.66 109.80 2baq n ARG 149 Ca -0.01 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.94 2baq n ARG 149 Cb 0.18 -1.36 0.02 0.00 0.45 0.00 0.00 32.46 31.74 2baq n ARG 149 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2baq n ASP 150 N 0.00 0.82 -4.67 6.15 2.03 -1.26 -5.01 116.55 114.61 2baq n ASP 150 Ca 0.00 -2.01 -0.48 0.00 0.52 0.00 0.00 54.79 52.82 2baq n ASP 150 Cb 0.00 -0.24 -0.05 0.00 -0.72 0.00 0.00 41.12 40.11 2baq n ASP 150 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2baq n LEU 151 N 0.30 2.96 -3.73 -2.67 7.94 -1.26 -4.95 117.00 115.60 2baq n LEU 151 Ca 0.02 1.05 -0.06 0.00 -1.11 0.00 0.00 56.01 55.91 2baq n LEU 151 Cb 1.06 -1.36 -0.02 0.00 0.53 0.00 0.00 43.42 43.64 2baq n LEU 151 CO -0.04 -0.32 0.61 -1.59 -1.11 0.00 0.00 177.39 174.93 2baq s LYS 152 N 2.05 1.35 0.57 1.96 -2.85 -1.26 -4.87 119.74 116.69 2baq s LYS 152 Ca 0.85 -0.70 0.26 0.00 -1.00 0.00 0.00 55.97 55.38 2baq s LYS 152 Cb -0.75 0.49 1.59 0.00 -2.06 0.00 0.00 37.83 37.10 2baq s LYS 152 CO 0.45 -0.61 2.13 -1.35 0.10 0.00 0.00 175.35 176.07 2baq h PRO 153 N 2.00 0.00 -0.41 1.78 0.11 -1.94 0.19 132.00 133.73 2baq h PRO 153 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2baq h PRO 153 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2baq h PRO 153 CO 0.26 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.92 2baq n SER 154 N -4.02 2.33 -1.09 -2.05 3.41 -1.26 -0.50 113.62 110.43 2baq n SER 154 Ca 0.01 -1.97 0.08 0.00 -0.26 0.00 0.00 58.87 56.73 2baq n SER 154 Cb 0.26 -0.27 0.27 0.00 -0.26 0.00 0.00 64.21 64.21 2baq n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2baq n ASN 155 N 0.77 4.07 -3.91 4.04 3.02 0.65 -4.07 115.26 119.83 2baq n ASN 155 Ca 0.15 -2.68 -0.30 0.00 -0.03 0.00 0.00 54.58 51.72 2baq n ASN 155 Cb 0.38 -0.50 -0.15 0.00 -0.61 0.00 0.00 39.78 38.89 2baq n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2baq s LEU 156 N -2.23 3.36 -0.25 3.41 1.43 -0.85 -0.71 118.68 122.85 2baq s LEU 156 Ca 0.41 -1.70 -0.09 0.00 -1.03 0.00 0.00 54.13 51.72 2baq s LEU 156 Cb 0.30 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 2baq s LEU 156 CO 0.14 -0.34 0.11 0.00 0.23 0.00 0.00 176.35 176.49 2baq s ALA 157 N 1.26 3.35 0.10 4.21 0.00 -0.77 -3.08 121.76 126.82 2baq s ALA 157 Ca 0.05 -1.04 0.09 0.00 0.00 0.00 0.00 51.96 51.06 2baq s ALA 157 Cb -0.18 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 2baq s ALA 157 CO -0.12 -0.38 -0.19 0.08 0.00 0.00 0.00 175.76 175.15 2baq s VAL 158 N 1.42 2.78 0.00 0.00 1.01 -1.01 -1.88 120.40 122.71 2baq s VAL 158 Ca 0.06 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.60 2baq s VAL 158 Cb -0.15 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 33.99 2baq s VAL 158 CO 0.06 0.16 0.00 -0.46 0.00 0.00 0.00 175.10 174.86 2baq n ASN 159 N 1.01 0.18 0.01 3.32 0.23 -1.11 -1.56 115.26 117.33 2baq n ASN 159 Ca -0.16 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.00 2baq n ASN 159 Cb 0.53 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.19 2baq n ASN 159 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2baq n GLU 160 N 0.00 0.21 0.00 -3.83 1.02 -1.26 -4.19 120.64 112.59 2baq n GLU 160 Ca 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2baq n GLU 160 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 2baq n GLU 160 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2baq n ASP 161 N -1.79 0.00 0.00 1.62 8.00 -1.26 -5.22 116.55 117.90 2baq n ASP 161 Ca 0.02 0.72 0.00 0.00 0.71 0.00 0.00 54.79 56.25 2baq n ASP 161 Cb 0.41 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 2baq n ASP 161 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2baq n GLU 163 N -1.79 0.00 -3.39 -1.24 1.02 -1.26 -5.16 120.64 108.81 2baq n GLU 163 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 2baq n GLU 163 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 2baq n GLU 163 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2baq s LEU 164 N 0.00 4.24 -0.03 -4.62 0.20 -1.26 -2.74 118.68 114.47 2baq s LEU 164 Ca 0.00 0.98 -0.01 0.00 0.69 0.00 0.00 54.13 55.79 2baq s LEU 164 Cb 0.00 -3.51 0.02 0.00 -0.43 0.00 0.00 46.19 42.27 2baq s LEU 164 CO 0.00 -0.00 0.06 -0.54 -0.29 0.00 0.00 176.35 175.58 2baq s LYS 165 N -2.47 0.03 -0.11 1.98 1.02 -0.79 -4.20 119.74 115.20 2baq s LYS 165 Ca 0.43 0.16 -0.27 0.00 0.02 0.00 0.00 55.97 56.31 2baq s LYS 165 Cb -0.13 -0.09 -0.02 0.00 -0.52 0.00 0.00 37.83 37.07 2baq s LYS 165 CO 0.20 -0.08 0.87 0.42 -0.92 0.00 0.00 175.35 175.83 2baq s ILE 166 N 0.54 4.89 0.11 2.17 1.01 -0.16 -1.85 121.20 127.91 2baq s ILE 166 Ca -0.04 1.75 -0.18 0.00 0.00 0.00 0.00 60.65 62.18 2baq s ILE 166 Cb -0.06 -4.18 -0.07 0.00 0.01 0.00 0.00 42.46 38.16 2baq s ILE 166 CO -0.02 0.08 0.58 -0.76 0.00 0.00 0.00 174.94 174.82 2baq s LEU 167 N 1.72 4.44 0.20 2.97 1.43 0.11 -1.22 118.68 128.34 2baq s LEU 167 Ca 0.42 1.21 -0.12 0.00 -1.03 0.00 0.00 54.13 54.61 2baq s LEU 167 Cb -0.18 -3.09 0.25 0.00 0.03 0.00 0.00 46.19 43.20 2baq s LEU 167 CO 0.17 0.19 1.68 -2.24 0.23 0.00 0.00 176.35 176.38 2baq h ASP 168 N 4.08 -0.16 -5.07 2.29 -0.00 -1.89 -3.45 116.42 112.21 2baq h ASP 168 Ca -0.49 0.13 -0.15 0.00 -0.00 0.00 0.00 57.03 56.51 2baq h ASP 168 Cb 1.20 0.21 -0.19 0.00 -0.00 0.00 0.00 39.33 40.56 2baq h ASP 168 CO 0.64 -0.06 -0.68 -0.36 -0.00 0.00 0.00 179.24 178.79 2baq s PHE 169 N -6.15 0.34 0.00 4.15 0.08 -1.26 -5.05 117.98 110.09 2baq s PHE 169 Ca -0.13 -0.70 0.00 0.00 0.12 0.00 0.00 56.93 56.22 2baq s PHE 169 Cb 0.17 -0.25 0.00 0.00 -0.57 0.00 0.00 43.02 42.37 2baq s PHE 169 CO 0.73 -0.27 0.00 0.41 -0.10 0.00 0.00 175.22 175.99 2baq n GLY 170 N 1.05 1.13 3.19 4.36 0.00 -1.26 -4.87 105.19 108.80 2baq n GLY 170 Ca -0.20 -1.46 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 2baq n GLY 170 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2baq s LEU 171 N 0.00 1.67 0.06 0.99 1.02 -1.26 -4.88 118.68 116.28 2baq s LEU 171 Ca 0.00 -0.89 -0.09 0.00 0.02 0.00 0.00 54.13 53.17 2baq s LEU 171 Cb 0.00 0.71 -0.00 0.00 0.02 0.00 0.00 46.19 46.92 2baq s LEU 171 CO 0.00 -0.73 0.18 0.00 0.02 0.00 0.00 176.35 175.83 2baq s ALA 172 N -3.93 -0.27 0.00 4.21 0.00 0.12 -4.95 121.76 116.94 2baq s ALA 172 Ca 0.12 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2baq s ALA 172 Cb 0.06 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.55 2baq s ALA 172 CO -0.06 -0.43 0.00 2.48 0.00 0.00 0.00 175.76 177.75 2baq n TYR 182 N 0.33 0.00 -3.19 0.00 4.11 -1.26 -3.85 117.16 113.30 2baq n TYR 182 Ca -0.17 0.00 -0.40 0.00 -0.00 0.00 0.00 57.90 57.33 2baq n TYR 182 Cb 0.61 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.87 2baq n TYR 182 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 2baq s VAL 183 N -2.00 5.02 0.09 -3.48 -7.23 -1.26 -5.06 120.40 106.48 2baq s VAL 183 Ca 0.00 0.89 -0.30 0.00 -1.81 0.00 0.00 61.98 60.75 2baq s VAL 183 Cb 0.00 -3.89 -0.06 0.00 0.56 0.00 0.00 36.38 32.99 2baq s VAL 183 CO 0.00 0.01 1.18 0.00 -0.31 0.00 0.00 175.10 175.98 2baq s ALA 184 N 2.42 3.39 0.31 1.32 0.00 -1.26 -4.94 121.76 122.99 2baq s ALA 184 Ca 0.23 0.85 0.06 0.00 0.00 0.00 0.00 51.96 53.10 2baq s ALA 184 Cb -0.15 -3.43 0.75 0.00 0.00 0.00 0.00 23.12 20.29 2baq s ALA 184 CO 0.10 -0.39 1.78 1.15 0.00 0.00 0.00 175.76 178.40 2baq h THR 185 N 4.32 0.71 0.00 0.00 2.02 -1.98 -2.80 112.91 115.19 2baq h THR 185 Ca -0.42 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.43 2baq h THR 185 Cb 1.21 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2baq h THR 185 CO 0.79 0.14 -0.31 0.08 0.37 0.00 0.00 175.52 176.59 2baq h ARG 186 N 0.76 0.00 0.00 6.66 0.11 -1.96 -1.67 114.38 118.29 2baq h ARG 186 Ca 0.58 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.66 2baq h ARG 186 Cb 0.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.98 2baq h ARG 186 CO -0.37 0.31 0.26 0.91 0.10 0.00 0.00 179.97 181.18 2baq n TRP 187 N -3.67 0.08 -0.83 4.08 7.02 -1.06 -3.02 117.44 120.04 2baq n TRP 187 Ca -0.01 0.04 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 2baq n TRP 187 Cb 0.42 -0.32 0.00 0.00 -2.42 0.00 0.00 31.31 28.98 2baq n TRP 187 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2baq n TYR 188 N -1.41 0.00 -2.78 -5.99 4.02 -0.63 -4.52 117.16 105.85 2baq n TYR 188 Ca -0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 2baq n TYR 188 Cb 0.27 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.55 2baq n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2baq s ARG 189 N -0.01 4.53 0.24 -0.72 1.81 -1.17 -3.96 118.95 119.68 2baq s ARG 189 Ca 0.00 1.31 -0.31 0.00 -1.72 0.00 0.00 55.73 55.01 2baq s ARG 189 Cb 0.00 -3.46 -0.13 0.00 -0.45 0.00 0.00 34.95 30.91 2baq s ARG 189 CO 0.00 -0.03 1.52 0.00 -0.68 0.00 0.00 175.30 176.11 2baq n ALA 190 N 3.89 1.74 -0.03 2.13 0.00 -1.26 -4.90 120.51 122.09 2baq n ALA 190 Ca 0.05 0.41 -0.12 0.00 0.00 0.00 0.00 53.44 53.77 2baq n ALA 190 Cb 0.51 -2.37 -0.06 0.00 0.00 0.00 0.00 19.45 17.53 2baq n ALA 190 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2baq h PRO 191 N 4.94 -0.45 -0.90 0.00 0.11 -1.96 -1.72 132.00 132.03 2baq h PRO 191 Ca -0.45 0.03 0.18 0.00 0.11 0.00 0.00 66.00 65.87 2baq h PRO 191 Cb 1.25 0.10 -0.17 0.00 0.11 0.00 0.00 31.00 32.29 2baq h PRO 191 CO 0.81 -0.30 -0.22 -0.85 -0.21 0.00 0.00 178.00 177.23 2baq n GLU 192 N -5.43 -0.08 -0.17 1.05 0.00 -1.26 0.53 120.64 115.28 2baq n GLU 192 Ca -0.04 1.41 0.06 0.00 0.00 0.00 0.00 57.16 58.59 2baq n GLU 192 Cb 0.36 -2.11 0.18 0.00 0.00 0.00 0.00 31.44 29.87 2baq n GLU 192 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.13 178.64 2baq n ILE 193 N -5.47 0.46 -0.00 3.84 0.00 -0.67 -1.15 119.36 116.36 2baq n ILE 193 Ca 0.15 -0.47 -0.00 0.00 0.00 0.00 0.00 62.75 62.42 2baq n ILE 193 Cb 0.46 0.25 -0.01 0.00 0.00 0.00 0.00 39.64 40.34 2baq n ILE 193 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 2baq n MET 194 N 0.53 3.18 -0.51 9.51 1.56 0.19 -4.54 117.12 127.04 2baq n MET 194 Ca 0.12 0.00 0.08 0.00 -0.27 0.00 0.00 57.70 57.64 2baq n MET 194 Cb 0.30 -1.02 0.28 0.00 2.15 0.00 0.00 33.22 34.94 2baq n MET 194 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 2baq n LEU 195 N -2.12 4.19 -3.57 -0.89 4.77 0.68 -4.96 117.00 115.11 2baq n LEU 195 Ca -0.01 -2.89 -0.28 0.00 -0.03 0.00 0.00 56.01 52.80 2baq n LEU 195 Cb 0.52 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 2baq n LEU 195 CO 0.02 0.68 -0.11 -3.20 -1.33 0.00 0.00 177.39 173.45 2baq n ASN 196 N -0.13 -1.29 0.06 -1.43 4.05 -0.77 -4.81 115.26 110.94 2baq n ASN 196 Ca 0.22 -0.78 0.10 0.00 0.45 0.00 0.00 54.58 54.57 2baq n ASN 196 Cb 0.91 -1.14 -0.07 0.00 1.23 0.00 0.00 39.78 40.72 2baq n ASN 196 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 177.26 171.54 2baq n TRP 197 N -3.00 0.63 -3.72 1.20 2.14 -0.30 -4.84 117.44 109.55 2baq n TRP 197 Ca 0.08 0.19 -0.11 0.00 2.07 0.00 0.00 57.50 59.73 2baq n TRP 197 Cb 0.34 -0.82 -0.06 0.00 -0.81 0.00 0.00 31.31 29.96 2baq n TRP 197 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2baq s MET 198 N -3.37 0.92 -0.09 -2.67 0.23 -1.26 -2.40 119.30 110.66 2baq s MET 198 Ca -0.03 -0.65 -0.40 0.00 -1.03 0.00 0.00 55.69 53.58 2baq s MET 198 Cb 0.11 0.40 -0.18 0.00 -1.53 0.00 0.00 34.83 33.63 2baq s MET 198 CO 0.83 -0.32 1.40 -2.39 -2.03 0.00 0.00 175.02 172.51 2baq n HIS 199 N 0.16 1.44 -4.25 3.16 1.44 -1.26 -4.78 115.22 111.14 2baq n HIS 199 Ca -0.17 0.79 -0.25 0.00 -2.01 0.00 0.00 57.72 56.08 2baq n HIS 199 Cb 0.62 -2.29 -0.08 0.00 0.12 0.00 0.00 29.99 28.36 2baq n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2baq s TYR 200 N 1.38 2.77 0.01 -1.40 1.13 -1.26 -4.88 117.35 115.09 2baq s TYR 200 Ca 0.92 -0.18 0.00 0.00 -1.41 0.00 0.00 57.07 56.40 2baq s TYR 200 Cb -1.13 -1.29 -0.00 0.00 -1.10 0.00 0.00 41.96 38.43 2baq s TYR 200 CO 0.58 0.56 0.01 0.27 -2.51 0.00 0.00 175.55 174.46 2baq n ASN 201 N -0.45 -0.02 0.16 -0.18 2.04 -1.26 -5.02 115.26 110.54 2baq n ASN 201 Ca -0.08 -1.05 0.19 0.00 -0.44 0.00 0.00 54.58 53.20 2baq n ASN 201 Cb 0.57 0.04 0.75 0.00 -2.53 0.00 0.00 39.78 38.60 2baq n ASN 201 CO 0.00 0.00 0.00 1.56 -0.44 0.00 0.00 177.26 178.38 2baq h GLN 202 N 0.00 0.00 -0.59 -3.83 4.20 -1.96 -2.29 115.11 110.64 2baq h GLN 202 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2baq h GLN 202 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2baq h GLN 202 CO 0.01 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.42 2baq n THR 203 N -3.43 0.00 0.21 -0.54 -2.24 -1.26 -2.72 114.28 104.30 2baq n THR 203 Ca 0.05 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.91 2baq n THR 203 Cb 0.58 -0.31 0.43 0.00 -2.10 0.00 0.00 70.33 68.93 2baq n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 2baq h VAL 204 N 0.00 0.66 0.00 2.28 -1.51 -1.82 -3.14 116.25 112.71 2baq h VAL 204 Ca 0.00 -1.21 -0.15 0.00 -1.23 0.00 0.00 66.70 64.11 2baq h VAL 204 Cb 0.30 1.79 -0.02 0.00 -2.13 0.00 0.00 31.29 31.23 2baq h VAL 204 CO 0.00 0.26 -0.71 0.44 -1.23 0.00 0.00 177.57 176.33 2baq h ASP 205 N 0.00 0.00 0.06 4.19 3.32 -1.80 -3.20 116.42 118.99 2baq h ASP 205 Ca -0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.84 2baq h ASP 205 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 2baq h ASP 205 CO 0.03 0.71 -0.75 0.40 -1.72 0.00 0.00 179.24 177.92 2baq h ILE 206 N 0.00 1.33 -0.86 0.35 1.08 -1.75 0.24 117.51 117.90 2baq h ILE 206 Ca -0.01 -2.05 0.12 0.00 -0.39 0.00 0.00 64.86 62.53 2baq h ILE 206 Cb 1.46 2.04 -0.08 0.00 -3.07 0.00 0.00 36.82 37.17 2baq h ILE 206 CO 0.09 0.63 0.48 -0.25 -0.69 0.00 0.00 178.15 178.41 2baq h TRP 207 N 0.41 0.85 -0.42 1.37 2.91 -1.58 0.91 115.95 120.39 2baq h TRP 207 Ca -0.04 0.03 -0.13 0.00 1.13 0.00 0.00 58.89 59.88 2baq h TRP 207 Cb 1.35 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 29.74 2baq h TRP 207 CO 0.06 0.28 -0.24 0.77 -1.03 0.00 0.00 178.44 178.29 2baq h SER 208 N 0.73 0.93 -0.54 2.65 0.02 -1.36 -0.23 113.55 115.75 2baq h SER 208 Ca 0.44 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2baq h SER 208 Cb 0.53 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2baq h SER 208 CO -0.31 1.14 0.22 0.58 -1.14 0.00 0.00 176.83 177.33 2baq h VAL 209 N 0.72 1.22 -0.49 2.27 2.07 -0.39 0.33 116.25 121.97 2baq h VAL 209 Ca 0.09 -0.66 0.10 0.00 0.82 0.00 0.00 66.70 67.05 2baq h VAL 209 Cb 0.81 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 2baq h VAL 209 CO 0.07 0.25 -0.03 1.23 0.02 0.00 0.00 177.57 179.11 2baq h GLY 210 N 0.73 0.47 2.00 2.17 0.00 -0.61 1.14 103.07 108.97 2baq h GLY 210 Ca 0.18 0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.53 2baq h GLY 210 CO -0.02 -0.15 -0.32 0.00 0.00 0.00 0.00 176.54 176.05 2baq h ILE 212 N 0.00 1.70 -0.99 0.00 2.04 0.98 -3.10 117.51 118.14 2baq h ILE 212 Ca -0.00 -2.10 0.12 0.00 1.00 0.00 0.00 64.86 63.88 2baq h ILE 212 Cb 0.73 3.13 -0.08 0.00 -0.74 0.00 0.00 36.82 39.86 2baq h ILE 212 CO 0.04 0.54 0.63 -0.03 0.00 0.00 0.00 178.15 179.33 2baq h MET 213 N -0.90 0.94 0.00 2.37 4.05 0.14 -0.67 114.93 120.86 2baq h MET 213 Ca -0.00 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.27 2baq h MET 213 Cb 0.89 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.47 2baq h MET 213 CO 0.00 0.62 -0.46 0.00 0.23 0.00 0.00 176.91 177.30 2baq h ALA 214 N 1.55 1.09 -0.13 0.39 0.00 -1.42 -2.78 119.26 117.95 2baq h ALA 214 Ca 0.49 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2baq h ALA 214 Cb 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2baq h ALA 214 CO -0.26 0.58 -0.32 1.49 0.00 0.00 0.00 179.25 180.73 2baq h GLU 215 N 0.00 0.45 -0.41 0.00 4.81 -1.06 -1.98 114.58 116.39 2baq h GLU 215 Ca -0.00 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2baq h GLU 215 Cb 0.89 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 2baq h GLU 215 CO 0.06 0.92 0.26 -0.07 -0.73 0.00 0.00 179.01 179.45 2baq h LEU 216 N 0.06 0.48 0.03 1.64 3.38 -1.26 0.15 115.31 119.79 2baq h LEU 216 Ca -0.00 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2baq h LEU 216 Cb 0.93 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.57 2baq h LEU 216 CO 0.07 0.36 -0.46 -0.07 0.09 0.00 0.00 178.44 178.43 2baq h LEU 217 N 0.56 0.35 0.00 1.67 3.38 -1.37 -3.36 115.31 116.55 2baq h LEU 217 Ca 0.15 -0.84 -0.19 0.00 0.09 0.00 0.00 57.88 57.09 2baq h LEU 217 Cb -0.05 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2baq h LEU 217 CO -0.03 1.14 -1.89 0.35 0.09 0.00 0.00 178.44 178.10 2baq n THR 218 N -4.34 0.94 -0.16 0.22 -2.24 -0.76 -4.89 114.28 103.05 2baq n THR 218 Ca -0.11 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 2baq n THR 218 Cb 0.63 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 2baq n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2baq n GLY 219 N 1.48 1.60 3.27 3.38 0.00 0.52 -5.05 105.19 110.39 2baq n GLY 219 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2baq n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2baq s ARG 220 N -0.37 2.00 0.18 1.61 0.52 -1.25 -5.00 118.95 116.63 2baq s ARG 220 Ca 0.00 -0.86 -0.33 0.00 -0.52 0.00 0.00 55.73 54.02 2baq s ARG 220 Cb 0.00 -1.90 -0.14 0.00 0.52 0.00 0.00 34.95 33.42 2baq s ARG 220 CO 0.00 0.50 1.43 2.41 0.02 0.00 0.00 175.30 179.65 2baq n THR 221 N 2.55 0.44 -0.04 0.02 -1.04 -1.26 -4.39 114.28 110.57 2baq n THR 221 Ca -0.16 -0.11 -0.14 0.00 -2.04 0.00 0.00 64.05 61.60 2baq n THR 221 Cb 0.52 -1.31 -0.09 0.00 -1.82 0.00 0.00 70.33 67.63 2baq n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2baq h LEU 222 N 4.77 0.29 -5.44 -4.42 5.85 -1.91 -3.37 115.31 111.08 2baq h LEU 222 Ca -0.45 -0.57 -0.60 0.00 0.84 0.00 0.00 57.88 57.09 2baq h LEU 222 Cb 1.29 -0.08 -0.41 0.00 0.37 0.00 0.00 40.66 41.82 2baq h LEU 222 CO 0.80 0.81 -0.55 0.49 -0.34 0.00 0.00 178.44 179.64 2baq n PHE 223 N -4.57 3.96 -0.69 1.25 3.72 -1.26 -4.98 117.46 114.88 2baq n PHE 223 Ca -0.08 -3.95 -0.18 0.00 -0.05 0.00 0.00 57.45 53.20 2baq n PHE 223 Cb 0.40 -0.53 -0.04 0.00 -0.94 0.00 0.00 39.48 38.36 2baq n PHE 223 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2baq n PRO 224 N -0.11 1.82 -2.07 -1.08 -0.04 -1.26 -4.47 135.00 127.79 2baq n PRO 224 Ca 0.32 -1.20 -0.36 0.00 -0.04 0.00 0.00 63.50 62.22 2baq n PRO 224 Cb 0.39 -2.26 0.03 0.00 -0.04 0.00 0.00 33.50 31.61 2baq n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2baq s GLY 225 N 3.12 2.68 0.00 0.55 0.00 -1.26 -4.98 107.32 107.44 2baq s GLY 225 Ca 0.39 0.94 0.24 0.00 0.00 0.00 0.00 44.72 46.29 2baq s GLY 225 CO -0.02 1.32 1.43 -1.30 0.00 0.00 0.00 173.10 174.52 2baq n THR 226 N -1.55 0.19 -0.45 0.90 -2.24 -1.26 -4.83 114.28 105.04 2baq n THR 226 Ca 0.13 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2baq n THR 226 Cb 0.50 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 2baq n THR 226 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2baq n ASP 227 N 1.05 0.00 -0.30 3.42 5.68 -1.26 -5.00 116.55 120.13 2baq n ASP 227 Ca 0.17 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.50 2baq n ASP 227 Cb 0.52 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.74 2baq n ASP 227 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 2baq h HIS 228 N 0.00 1.05 -0.05 2.11 3.86 -1.98 0.11 115.15 120.25 2baq h HIS 228 Ca 0.00 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 2baq h HIS 228 Cb 0.00 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.13 2baq h HIS 228 CO 0.00 0.55 -0.25 0.82 0.86 0.00 0.00 177.93 179.91 2baq h ILE 229 N 1.03 1.46 -0.79 2.45 1.08 -1.99 -2.72 117.51 118.03 2baq h ILE 229 Ca 0.39 -1.71 -0.02 0.00 -0.39 0.00 0.00 64.86 63.13 2baq h ILE 229 Cb 0.19 2.42 -0.04 0.00 -3.07 0.00 0.00 36.82 36.32 2baq h ILE 229 CO -0.14 0.48 0.42 -0.78 -0.69 0.00 0.00 178.15 177.44 2baq h ASP 230 N -0.29 1.00 -0.18 1.72 3.58 -1.92 -1.39 116.42 118.95 2baq h ASP 230 Ca -0.02 -0.11 0.04 0.00 0.42 0.00 0.00 57.03 57.36 2baq h ASP 230 Cb 0.91 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.67 2baq h ASP 230 CO 0.05 0.82 -0.05 -0.61 -2.88 0.00 0.00 179.24 176.58 2baq h GLN 231 N 1.11 -0.00 -0.45 0.28 5.75 -0.82 0.08 115.11 121.06 2baq h GLN 231 Ca 0.28 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.75 2baq h GLN 231 Cb 0.05 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 2baq h GLN 231 CO -0.04 -0.00 0.15 1.25 -2.65 0.00 0.00 178.83 177.54 2baq h LEU 232 N -0.00 0.58 -0.61 -2.39 5.85 -1.22 -0.31 115.31 117.21 2baq h LEU 232 Ca 0.09 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.75 2baq h LEU 232 Cb 0.13 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2baq h LEU 232 CO -0.18 0.55 0.40 0.50 -0.34 0.00 0.00 178.44 179.36 2baq h LYS 233 N 0.64 0.77 -0.21 1.25 3.64 -0.41 -2.21 116.57 120.04 2baq h LYS 233 Ca 0.15 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.30 2baq h LYS 233 Cb 0.17 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2baq h LYS 233 CO -0.01 0.51 -0.62 -0.07 -2.27 0.00 0.00 179.45 176.99 2baq h LEU 234 N 0.80 0.83 -0.84 5.20 3.38 0.61 -1.70 115.31 123.59 2baq h LEU 234 Ca 0.23 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 2baq h LEU 234 Cb -0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 2baq h LEU 234 CO -0.07 1.26 0.41 0.40 0.09 0.00 0.00 178.44 180.52 2baq h ILE 235 N 0.54 1.26 -0.00 1.22 2.04 -1.18 -3.15 117.51 118.24 2baq h ILE 235 Ca -0.01 -0.72 -0.23 0.00 1.00 0.00 0.00 64.86 64.90 2baq h ILE 235 Cb 1.22 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2baq h ILE 235 CO 0.13 0.31 -0.95 -0.07 0.00 0.00 0.00 178.15 177.57 2baq h LEU 236 N 1.20 0.57 -0.96 1.44 3.38 -1.20 -0.39 115.31 119.35 2baq h LEU 236 Ca 0.29 -0.45 0.22 0.00 0.09 0.00 0.00 57.88 58.03 2baq h LEU 236 Cb 0.11 -0.17 -0.18 0.00 0.09 0.00 0.00 40.66 40.51 2baq h LEU 236 CO -0.04 1.25 -0.14 -0.09 0.09 0.00 0.00 178.44 179.51 2baq h ARG 237 N 0.25 0.01 0.15 1.13 2.43 -1.27 0.22 114.38 117.30 2baq h ARG 237 Ca -0.08 -0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.79 2baq h ARG 237 Cb 1.58 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.14 2baq h ARG 237 CO 0.17 0.00 -1.50 1.25 -1.51 0.00 0.00 179.97 178.38 2baq h LEU 238 N 0.01 0.50 0.00 3.80 5.85 -1.53 -3.40 115.31 120.54 2baq h LEU 238 Ca 0.50 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2baq h LEU 238 Cb 0.87 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2baq h LEU 238 CO -0.95 1.67 -1.69 1.33 -0.34 0.00 0.00 178.44 178.46 2baq n VAL 239 N -3.81 0.00 0.00 1.05 0.24 -0.17 -2.38 118.33 113.26 2baq n VAL 239 Ca -0.24 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 2baq n VAL 239 Cb 0.97 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.62 2baq n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2baq n GLY 240 N 1.36 -0.39 3.76 7.63 0.00 0.75 -4.51 105.19 113.78 2baq n GLY 240 Ca -0.02 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.11 2baq n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2baq s THR 241 N -3.04 2.97 0.12 2.61 -4.23 -1.11 -4.83 115.64 108.13 2baq s THR 241 Ca 0.00 0.56 -0.33 0.00 -1.18 0.00 0.00 61.69 60.74 2baq s THR 241 Cb 0.00 -3.17 -0.13 0.00 1.34 0.00 0.00 72.50 70.54 2baq s THR 241 CO 0.00 -0.17 1.69 -2.65 -0.54 0.00 0.00 174.62 172.95 2baq n PRO 242 N -1.72 2.35 -1.51 3.99 -0.02 -1.26 -4.98 135.00 131.85 2baq n PRO 242 Ca 0.12 0.85 -0.30 0.00 -2.02 0.00 0.00 63.50 62.15 2baq n PRO 242 Cb 0.51 -2.66 0.22 0.00 -0.02 0.00 0.00 33.50 31.55 2baq n PRO 242 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2baq s GLY 243 N 1.80 1.70 0.59 -1.23 0.00 -1.26 -4.50 107.32 104.42 2baq s GLY 243 Ca 0.81 -1.16 0.28 0.00 0.00 0.00 0.00 44.72 44.66 2baq s GLY 243 CO 0.39 -0.29 2.09 0.00 0.00 0.00 0.00 173.10 175.29 2baq h ALA 244 N -2.20 1.85 0.00 3.20 0.00 -1.98 0.17 119.26 120.30 2baq h ALA 244 Ca -0.44 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 2baq h ALA 244 Cb 1.25 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2baq h ALA 244 CO 0.32 -0.32 -0.49 0.93 0.00 0.00 0.00 179.25 179.69 2baq h GLU 245 N 0.00 0.00 0.03 0.00 4.39 -2.00 -3.11 114.58 113.89 2baq h GLU 245 Ca 0.10 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.42 2baq h GLU 245 Cb 0.54 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.14 2baq h GLU 245 CO -0.00 0.41 -2.18 -0.11 -1.16 0.00 0.00 179.01 175.97 2baq n LEU 246 N -3.18 2.46 -0.45 1.33 7.94 -0.58 -3.92 117.00 120.60 2baq n LEU 246 Ca 0.02 0.16 0.39 0.00 -1.11 0.00 0.00 56.01 55.46 2baq n LEU 246 Cb 0.71 -0.95 0.72 0.00 0.53 0.00 0.00 43.42 44.43 2baq n LEU 246 CO 0.40 0.72 1.34 -0.07 -1.11 0.00 0.00 177.39 178.67 2baq h LEU 247 N -0.39 0.10 -1.88 -1.96 3.38 -0.86 0.16 115.31 113.86 2baq h LEU 247 Ca -0.54 0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.50 2baq h LEU 247 Cb 1.77 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 2baq h LEU 247 CO -0.15 -0.02 0.16 0.50 0.09 0.00 0.00 178.44 179.02 2baq h LYS 248 N 0.07 0.16 -0.61 1.13 3.64 -1.66 -2.81 116.57 116.48 2baq h LYS 248 Ca 0.71 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 60.08 2baq h LYS 248 Cb 2.62 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 34.40 2baq h LYS 248 CO -0.12 0.10 0.00 1.63 -2.27 0.00 0.00 179.45 178.79 2baq n LYS 249 N -4.49 3.45 -3.18 1.90 5.02 0.56 -4.92 118.16 116.49 2baq n LYS 249 Ca 0.02 -2.77 -0.40 0.00 -2.02 0.00 0.00 58.31 53.13 2baq n LYS 249 Cb 0.19 -1.78 -0.07 0.00 -0.02 0.00 0.00 35.03 33.35 2baq n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2baq s ILE 250 N -1.69 5.02 -0.27 -0.18 -1.09 -1.06 -4.69 121.20 117.23 2baq s ILE 250 Ca 0.48 0.89 0.22 0.00 -2.23 0.00 0.00 60.65 60.00 2baq s ILE 250 Cb 0.30 -3.90 0.07 0.00 -1.58 0.00 0.00 42.46 37.35 2baq s ILE 250 CO 0.24 0.00 1.18 -1.28 -1.23 0.00 0.00 174.94 173.85 2baq h SER 251 N 8.06 0.00 -3.29 3.58 0.87 -1.82 -3.45 113.55 117.50 2baq h SER 251 Ca -0.28 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.70 2baq h SER 251 Cb 1.13 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.02 2baq h SER 251 CO 0.75 0.07 0.43 -0.55 -0.53 0.00 0.00 176.83 176.99 2baq s SER 252 N -5.64 6.95 0.34 6.23 0.15 -1.26 -4.93 113.70 115.54 2baq s SER 252 Ca 0.01 1.18 0.06 0.00 0.70 0.00 0.00 55.95 57.90 2baq s SER 252 Cb 0.08 -2.46 0.73 0.00 -1.71 0.00 0.00 66.02 62.66 2baq s SER 252 CO 0.76 -0.43 1.90 -0.08 1.20 0.00 0.00 173.24 176.59 2baq h GLU 253 N 7.38 0.77 -0.16 5.44 4.57 -1.99 -2.36 114.58 128.22 2baq h GLU 253 Ca -0.28 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 57.81 2baq h GLU 253 Cb 1.12 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.54 2baq h GLU 253 CO 0.85 0.51 -0.06 1.03 -1.18 0.00 0.00 179.01 180.16 2baq h SER 254 N 0.79 0.34 0.71 1.04 0.87 -1.99 -2.97 113.55 112.35 2baq h SER 254 Ca 0.41 -0.39 -0.26 0.00 -1.23 0.00 0.00 61.79 60.31 2baq h SER 254 Cb 0.50 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2baq h SER 254 CO -0.17 0.65 -1.20 0.00 -0.53 0.00 0.00 176.83 175.58 2baq h ALA 255 N 0.69 0.16 0.65 6.23 0.00 -1.92 -2.18 119.26 122.90 2baq h ALA 255 Ca 0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 54.91 54.02 2baq h ALA 255 Cb 0.52 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2baq h ALA 255 CO 0.02 1.05 -0.39 0.00 0.00 0.00 0.00 179.25 179.93 2baq h ARG 256 N 0.06 -0.94 -0.96 0.00 3.08 -1.51 -0.13 114.38 113.97 2baq h ARG 256 Ca -0.11 0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.09 2baq h ARG 256 Cb 1.93 0.21 -0.12 0.00 0.08 0.00 0.00 29.97 32.08 2baq h ARG 256 CO 0.18 -0.63 -0.57 0.09 -1.07 0.00 0.00 179.97 177.98 2baq n ASN 257 N -5.53 -1.02 -0.12 7.04 3.02 -1.12 -1.22 115.26 116.32 2baq n ASN 257 Ca -0.13 1.71 -0.05 0.00 -0.03 0.00 0.00 54.58 56.08 2baq n ASN 257 Cb 0.42 -0.22 0.03 0.00 -0.61 0.00 0.00 39.78 39.39 2baq n ASN 257 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2baq h TYR 258 N 0.00 0.05 -0.21 3.10 3.20 -0.95 -2.24 116.97 119.93 2baq h TYR 258 Ca 0.15 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 2baq h TYR 258 Cb 0.39 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 2baq h TYR 258 CO -0.99 -0.03 0.06 0.82 -1.64 0.00 0.00 178.16 176.38 2baq h ILE 259 N 0.15 1.19 0.00 1.81 2.04 -0.61 -2.90 117.51 119.20 2baq h ILE 259 Ca 0.19 -0.60 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 2baq h ILE 259 Cb 0.25 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2baq h ILE 259 CO -0.28 0.19 -0.40 1.56 0.00 0.00 0.00 178.15 179.22 2baq h GLN 260 N 0.16 0.00 -0.11 2.37 4.20 -0.96 -2.79 115.11 117.98 2baq h GLN 260 Ca 0.07 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.59 2baq h GLN 260 Cb 0.24 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.03 2baq h GLN 260 CO -0.00 0.40 -0.67 0.66 -0.67 0.00 0.00 178.83 178.55 2baq h SER 261 N 0.00 0.78 -2.87 1.46 4.64 -1.42 -3.46 113.55 112.68 2baq h SER 261 Ca -0.00 -0.65 -0.56 0.00 -0.47 0.00 0.00 61.79 60.10 2baq h SER 261 Cb 0.89 -0.23 0.20 0.00 -0.31 0.00 0.00 62.40 62.95 2baq h SER 261 CO 0.05 1.31 -0.76 0.18 -0.87 0.00 0.00 176.83 176.74 2baq n LEU 262 N -4.08 -1.04 -4.71 5.97 4.77 -1.06 -4.90 117.00 111.97 2baq n LEU 262 Ca -0.08 0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 55.98 2baq n LEU 262 Cb 0.69 -1.09 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 2baq n LEU 262 CO 0.50 -3.88 0.96 -0.89 -1.33 0.00 0.00 177.39 172.75 2baq s THR 263 N -2.00 3.86 0.24 -5.08 2.01 -1.26 -4.96 115.64 108.44 2baq s THR 263 Ca 0.59 1.31 -0.30 0.00 0.31 0.00 0.00 61.69 63.60 2baq s THR 263 Cb -0.33 -3.84 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 2baq s THR 263 CO 0.64 0.08 1.34 -1.10 -0.69 0.00 0.00 174.62 174.88 2baq s GLN 264 N 1.37 4.36 -0.04 4.92 -1.52 -1.26 -5.03 119.66 122.46 2baq s GLN 264 Ca 0.60 2.14 0.05 0.00 -1.95 0.00 0.00 55.36 56.21 2baq s GLN 264 Cb -0.31 -3.15 -0.02 0.00 -0.22 0.00 0.00 33.01 29.31 2baq s GLN 264 CO 0.28 -0.27 -0.19 -1.64 -0.25 0.00 0.00 175.29 173.23 2baq s MET 265 N -0.56 2.38 0.77 2.91 -1.94 -1.26 -5.03 119.30 116.57 2baq s MET 265 Ca 0.55 -0.79 -0.11 0.00 -1.71 0.00 0.00 55.69 53.63 2baq s MET 265 Cb -0.38 -2.25 0.05 0.00 2.01 0.00 0.00 34.83 34.26 2baq s MET 265 CO 0.42 0.58 1.08 -1.25 -0.01 0.00 0.00 175.02 175.85 2baq s PRO 266 N -0.64 2.32 0.23 2.03 0.04 -1.26 -2.76 135.00 134.97 2baq s PRO 266 Ca 0.10 0.83 -0.28 0.00 0.04 0.00 0.00 61.00 61.68 2baq s PRO 266 Cb -0.11 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 2baq s PRO 266 CO 0.00 -1.50 0.90 0.21 0.04 0.00 0.00 177.00 176.65 2baq s LYS 267 N -5.07 4.74 0.25 4.56 2.20 -1.26 -3.88 119.74 121.28 2baq s LYS 267 Ca 0.60 1.37 -0.09 0.00 -0.36 0.00 0.00 55.97 57.49 2baq s LYS 267 Cb -0.15 -3.19 -0.07 0.00 -1.51 0.00 0.00 37.83 32.91 2baq s LYS 267 CO 0.55 0.49 0.57 -1.64 -0.36 0.00 0.00 175.35 174.97 2baq s MET 268 N -1.32 3.79 -0.20 4.03 -1.94 -1.00 -4.96 119.30 117.69 2baq s MET 268 Ca 0.41 0.27 -0.29 0.00 -1.71 0.00 0.00 55.69 54.37 2baq s MET 268 Cb -0.24 -2.62 -0.01 0.00 2.01 0.00 0.00 34.83 33.97 2baq s MET 268 CO 0.29 0.27 1.22 1.21 -0.01 0.00 0.00 175.02 178.01 2baq s ASN 269 N -2.53 6.94 0.43 3.03 3.84 -1.26 -4.91 114.94 120.49 2baq s ASN 269 Ca 0.47 1.57 0.30 0.00 0.21 0.00 0.00 52.86 55.41 2baq s ASN 269 Cb -0.11 -2.54 1.19 0.00 -0.55 0.00 0.00 41.25 39.24 2baq s ASN 269 CO 0.23 -0.78 1.87 -0.26 -2.79 0.00 0.00 177.10 175.37 2baq h PHE 270 N 8.19 0.00 0.00 0.43 -1.00 -1.94 -1.52 116.94 121.10 2baq h PHE 270 Ca -0.25 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.45 2baq h PHE 270 Cb 1.09 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.64 2baq h PHE 270 CO 0.80 0.00 -0.41 0.00 -1.61 0.00 0.00 178.31 177.09 2baq h ALA 271 N 2.11 1.03 0.00 2.45 0.00 -1.90 0.13 119.26 123.08 2baq h ALA 271 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2baq h ALA 271 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2baq h ALA 271 CO 0.00 0.51 -0.03 0.09 0.00 0.00 0.00 179.25 179.82 2baq n ASN 272 N -3.62 0.29 -0.07 0.00 5.03 -0.58 -3.16 115.26 113.16 2baq n ASN 272 Ca -0.01 0.49 -0.08 0.00 0.87 0.00 0.00 54.58 55.86 2baq n ASN 272 Cb 0.51 -0.55 -0.09 0.00 -1.02 0.00 0.00 39.78 38.63 2baq n ASN 272 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2baq n VAL 273 N -1.75 0.89 -2.12 2.41 0.31 -0.97 -4.58 118.33 112.52 2baq n VAL 273 Ca 0.06 -0.49 -0.34 0.00 -0.01 0.00 0.00 64.34 63.57 2baq n VAL 273 Cb 0.37 -0.78 0.03 0.00 -0.91 0.00 0.00 33.84 32.54 2baq n VAL 273 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2baq n PHE 274 N -2.61 3.16 -1.75 3.52 3.72 0.43 -5.06 117.46 118.86 2baq n PHE 274 Ca -0.23 -2.66 -0.41 0.00 -0.05 0.00 0.00 57.45 54.10 2baq n PHE 274 Cb 0.88 -0.74 -0.01 0.00 -0.94 0.00 0.00 39.48 38.67 2baq n PHE 274 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 2baq n ILE 275 N -0.53 1.20 -0.39 4.37 -5.35 -1.19 -1.55 119.36 115.92 2baq n ILE 275 Ca 0.48 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.66 2baq n ILE 275 Cb 0.43 -1.98 0.00 0.00 -1.74 0.00 0.00 39.64 36.35 2baq n ILE 275 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2baq n GLY 276 N 1.86 1.82 3.78 3.28 0.00 -1.26 -5.00 105.19 109.66 2baq n GLY 276 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2baq n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2baq s ALA 277 N -3.06 2.45 -0.19 4.61 0.00 -0.59 -4.90 121.76 120.07 2baq s ALA 277 Ca 0.00 0.43 -0.33 0.00 0.00 0.00 0.00 51.96 52.06 2baq s ALA 277 Cb 0.00 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 2baq s ALA 277 CO 0.00 -1.37 2.05 -1.71 0.00 0.00 0.00 175.76 174.73 2baq n ASN 278 N -2.73 3.04 -0.32 0.00 2.85 -1.26 -4.84 115.26 112.01 2baq n ASN 278 Ca 0.10 0.64 0.34 0.00 -0.11 0.00 0.00 54.58 55.55 2baq n ASN 278 Cb 0.52 -1.38 0.73 0.00 1.24 0.00 0.00 39.78 40.89 2baq n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2baq h PRO 279 N 11.43 0.03 -0.36 1.20 0.11 -1.95 1.07 132.00 143.53 2baq h PRO 279 Ca -0.41 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.57 2baq h PRO 279 Cb 1.28 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2baq h PRO 279 CO 0.97 0.02 -0.31 -0.07 -0.21 0.00 0.00 178.00 178.40 2baq h LEU 280 N 0.03 0.82 -0.22 2.35 3.38 -1.99 -1.73 115.31 117.95 2baq h LEU 280 Ca 0.56 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 58.22 2baq h LEU 280 Cb 2.18 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.69 2baq h LEU 280 CO -0.03 1.06 0.09 0.00 0.09 0.00 0.00 178.44 179.65 2baq h ALA 281 N 0.98 0.25 -0.08 1.53 0.00 0.81 -1.75 119.26 121.01 2baq h ALA 281 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2baq h ALA 281 Cb 0.85 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2baq h ALA 281 CO 0.07 -0.33 -0.04 0.28 0.00 0.00 0.00 179.25 179.24 2baq h VAL 282 N 0.20 1.08 -0.09 0.00 2.07 -1.31 -1.60 116.25 116.60 2baq h VAL 282 Ca 0.09 -0.33 -0.23 0.00 0.82 0.00 0.00 66.70 67.05 2baq h VAL 282 Cb 0.05 1.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2baq h VAL 282 CO -0.08 0.10 -0.87 -0.78 0.02 0.00 0.00 177.57 175.96 2baq h ASP 283 N 0.11 0.85 -0.69 0.57 3.58 -0.95 -2.14 116.42 117.76 2baq h ASP 283 Ca 0.03 -0.61 -0.02 0.00 0.42 0.00 0.00 57.03 56.84 2baq h ASP 283 Cb 0.14 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.91 2baq h ASP 283 CO 0.01 1.40 0.34 0.25 -2.88 0.00 0.00 179.24 178.36 2baq h LEU 284 N 0.44 0.89 -0.71 2.28 5.85 -0.91 -2.49 115.31 120.67 2baq h LEU 284 Ca -0.08 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.57 2baq h LEU 284 Cb 1.50 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.25 2baq h LEU 284 CO 0.17 0.77 0.42 -0.07 -0.34 0.00 0.00 178.44 179.39 2baq h LEU 285 N 0.96 0.65 -1.63 2.25 3.38 -1.23 -0.75 115.31 118.93 2baq h LEU 285 Ca 0.24 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2baq h LEU 285 Cb 0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2baq h LEU 285 CO -0.03 0.42 0.06 -0.33 0.09 0.00 0.00 178.44 178.66 2baq h GLU 286 N 0.78 0.30 0.00 1.13 4.39 -1.11 -1.25 114.58 118.82 2baq h GLU 286 Ca 0.31 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.87 2baq h GLU 286 Cb 0.14 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2baq h GLU 286 CO -0.16 0.27 -0.65 0.87 -1.16 0.00 0.00 179.01 178.18 2baq h LYS 287 N 0.30 0.00 0.00 2.33 1.57 -0.75 -3.31 116.57 116.72 2baq h LYS 287 Ca 0.08 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.55 2baq h LYS 287 Cb 0.10 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 2baq h LYS 287 CO -0.01 0.38 -1.82 -1.33 -0.57 0.00 0.00 179.45 176.10 2baq n MET 288 N -3.12 0.64 -2.00 3.15 2.81 -0.43 -2.86 117.12 115.31 2baq n MET 288 Ca -0.00 0.25 -0.39 0.00 -1.81 0.00 0.00 57.70 55.75 2baq n MET 288 Cb 0.72 -1.75 0.04 0.00 -0.71 0.00 0.00 33.22 31.52 2baq n MET 288 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2baq n LEU 289 N -3.00 7.29 -4.83 4.03 4.77 -0.50 -4.20 117.00 120.56 2baq n LEU 289 Ca -0.20 -4.90 -0.36 0.00 -0.03 0.00 0.00 56.01 50.52 2baq n LEU 289 Cb 1.07 -1.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 2baq n LEU 289 CO 0.45 1.81 -0.18 0.68 -1.33 0.00 0.00 177.39 178.82 2baq s VAL 290 N -5.09 5.42 0.32 4.08 -7.23 -1.26 -4.90 120.40 111.75 2baq s VAL 290 Ca 0.51 0.18 0.05 0.00 -1.81 0.00 0.00 61.98 60.91 2baq s VAL 290 Cb 0.43 -3.39 0.12 0.00 0.56 0.00 0.00 36.38 34.10 2baq s VAL 290 CO -0.39 0.58 1.82 -0.07 -0.31 0.00 0.00 175.10 176.73 2baq h LEU 291 N 5.40 0.43 -8.40 1.32 3.38 -1.94 -3.41 115.31 112.09 2baq h LEU 291 Ca -0.51 -0.11 -0.53 0.00 0.09 0.00 0.00 57.88 56.82 2baq h LEU 291 Cb 1.21 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 2baq h LEU 291 CO 0.62 0.60 1.15 -0.62 0.09 0.00 0.00 178.44 180.27 2baq s ASP 292 N -6.79 5.90 0.00 -0.43 -1.08 -1.26 -4.84 116.67 108.17 2baq s ASP 292 Ca -0.07 -0.20 0.05 0.00 -0.52 0.00 0.00 52.55 51.81 2baq s ASP 292 Cb 0.15 -2.55 0.29 0.00 -1.46 0.00 0.00 42.92 39.35 2baq s ASP 292 CO 0.77 -2.00 0.71 -1.54 0.52 0.00 0.00 175.17 173.63 2baq n SER 293 N 10.38 0.00 -0.02 -0.34 3.41 -1.26 0.13 113.62 125.91 2baq n SER 293 Ca 0.08 -0.69 0.06 0.00 -0.26 0.00 0.00 58.87 58.07 2baq n SER 293 Cb 0.50 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.29 2baq n SER 293 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2baq n ASP 294 N -0.68 0.07 0.08 4.04 8.00 -1.26 -4.36 116.55 122.44 2baq n ASP 294 Ca 0.04 0.03 0.05 0.00 0.71 0.00 0.00 54.79 55.62 2baq n ASP 294 Cb 0.02 1.67 -0.03 0.00 -0.02 0.00 0.00 41.12 42.75 2baq n ASP 294 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2baq h LYS 295 N 0.00 0.00 -6.97 -1.24 1.79 -0.71 -3.48 116.57 105.96 2baq h LYS 295 Ca -0.12 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.82 2baq h LYS 295 Cb 1.27 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 32.02 2baq h LYS 295 CO 0.01 0.18 0.63 0.50 -1.08 0.00 0.00 179.45 179.69 2baq s ARG 296 N -3.12 3.81 0.27 3.15 3.52 -0.91 -4.93 118.95 120.73 2baq s ARG 296 Ca -0.01 2.22 -0.29 0.00 -0.13 0.00 0.00 55.73 57.52 2baq s ARG 296 Cb 0.09 -2.67 -0.09 0.00 -1.56 0.00 0.00 34.95 30.71 2baq s ARG 296 CO 0.79 -0.65 1.16 -1.50 -0.81 0.00 0.00 175.30 174.29 2baq s ILE 297 N -1.26 3.38 0.60 4.11 2.07 -1.14 -5.01 121.20 123.95 2baq s ILE 297 Ca 0.60 1.33 -0.06 0.00 -1.41 0.00 0.00 60.65 61.11 2baq s ILE 297 Cb -0.39 -3.85 0.01 0.00 0.13 0.00 0.00 42.46 38.36 2baq s ILE 297 CO 0.50 0.29 0.92 0.42 -1.91 0.00 0.00 174.94 175.16 2baq s THR 298 N -0.89 3.50 0.06 4.00 -4.23 -1.26 -4.84 115.64 111.97 2baq s THR 298 Ca 0.47 -0.02 -0.27 0.00 -1.18 0.00 0.00 61.69 60.69 2baq s THR 298 Cb -0.33 -3.40 -0.14 0.00 1.34 0.00 0.00 72.50 69.97 2baq s THR 298 CO 0.42 -0.42 1.41 0.00 -0.54 0.00 0.00 174.62 175.49 2baq h ALA 299 N -0.23 -1.13 -0.87 3.99 0.00 -1.91 0.47 119.26 119.58 2baq h ALA 299 Ca -0.45 -0.17 0.23 0.00 0.00 0.00 0.00 54.91 54.52 2baq h ALA 299 Cb 1.26 0.53 -0.15 0.00 0.00 0.00 0.00 17.79 19.43 2baq h ALA 299 CO 0.61 -1.12 0.12 0.00 0.00 0.00 0.00 179.25 178.85 2baq h ALA 300 N -1.28 1.11 -0.65 0.00 0.00 -1.91 0.71 119.26 117.24 2baq h ALA 300 Ca -0.07 0.26 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2baq h ALA 300 Cb 0.69 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2baq h ALA 300 CO 0.03 -0.49 0.18 1.96 0.00 0.00 0.00 179.25 180.93 2baq h GLN 301 N 0.12 1.02 -0.32 0.00 4.20 -1.87 -3.26 115.11 115.00 2baq h GLN 301 Ca 0.53 -0.23 0.04 0.00 0.06 0.00 0.00 58.65 59.04 2baq h GLN 301 Cb 1.05 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.67 2baq h GLN 301 CO -0.73 0.91 0.22 0.00 -0.67 0.00 0.00 178.83 178.55 2baq h ALA 302 N 1.07 1.97 -0.29 3.87 0.00 0.54 -1.87 119.26 124.53 2baq h ALA 302 Ca 0.21 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2baq h ALA 302 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2baq h ALA 302 CO -0.00 -0.02 -0.30 -0.07 0.00 0.00 0.00 179.25 178.86 2baq h LEU 303 N 0.27 0.63 0.00 0.00 3.38 -1.47 -2.51 115.31 115.61 2baq h LEU 303 Ca 0.14 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2baq h LEU 303 Cb 0.21 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2baq h LEU 303 CO -0.03 0.89 0.00 0.00 0.09 0.00 0.00 178.44 179.39 2baq n ALA 304 N -2.50 2.38 -1.81 1.53 0.00 -0.71 -4.66 120.51 114.74 2baq n ALA 304 Ca -0.01 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 2baq n ALA 304 Cb 0.46 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 2baq n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2baq s HIS 305 N -2.00 3.11 0.60 0.00 5.04 -0.95 -4.89 115.29 116.20 2baq s HIS 305 Ca 0.35 1.36 0.29 0.00 -1.54 0.00 0.00 55.06 55.52 2baq s HIS 305 Cb 0.16 -3.66 1.31 0.00 0.04 0.00 0.00 32.58 30.43 2baq s HIS 305 CO 0.27 -1.88 1.69 0.00 -2.34 0.00 0.00 174.74 172.49 2baq h ALA 306 N 3.89 2.48 -0.01 1.58 0.00 -1.89 -1.16 119.26 124.15 2baq h ALA 306 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2baq h ALA 306 Cb 1.22 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2baq h ALA 306 CO 0.69 -1.10 0.01 -0.92 0.00 0.00 0.00 179.25 177.92 2baq h TYR 307 N 0.00 0.00 -0.47 0.00 3.20 -1.90 -2.59 116.97 115.21 2baq h TYR 307 Ca 0.33 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.20 2baq h TYR 307 Cb 1.83 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.10 2baq h TYR 307 CO 0.00 0.00 0.00 1.19 -1.64 0.00 0.00 178.16 177.71 2baq n PHE 308 N -4.12 0.97 -0.33 -3.82 3.72 -0.44 -4.68 117.46 108.76 2baq n PHE 308 Ca -0.03 -0.62 0.23 0.00 -0.05 0.00 0.00 57.45 56.99 2baq n PHE 308 Cb 0.09 -0.16 0.45 0.00 -0.94 0.00 0.00 39.48 38.92 2baq n PHE 308 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2baq h ALA 309 N 2.90 1.73 0.00 4.37 0.00 -1.61 0.64 119.26 127.30 2baq h ALA 309 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2baq h ALA 309 Cb 1.16 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2baq h ALA 309 CO 0.13 -0.72 0.00 1.04 0.00 0.00 0.00 179.25 179.70 2baq n GLN 310 N -5.29 0.24 0.00 0.00 6.02 -1.26 -3.99 117.38 113.11 2baq n GLN 310 Ca 0.31 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 2baq n GLN 310 Cb 1.01 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.77 2baq n GLN 310 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2baq n TYR 311 N -1.21 0.00 -1.70 1.08 4.01 0.20 -5.09 117.16 114.45 2baq n TYR 311 Ca 0.07 0.00 -0.53 0.00 -0.16 0.00 0.00 57.90 57.28 2baq n TYR 311 Cb 0.09 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.06 2baq n TYR 311 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 2baq n HIS 312 N -0.48 2.17 -3.54 -0.72 -0.00 0.51 -4.98 115.22 108.19 2baq n HIS 312 Ca 0.00 0.29 -0.23 0.00 0.46 0.00 0.00 57.72 58.24 2baq n HIS 312 Cb 0.01 -2.55 -0.15 0.00 -0.12 0.00 0.00 29.99 27.18 2baq n HIS 312 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2baq s ASP 313 N 3.70 2.15 0.54 0.26 2.15 -1.26 -4.97 116.67 119.24 2baq s ASP 313 Ca 0.95 -0.59 0.35 0.00 0.43 0.00 0.00 52.55 53.69 2baq s ASP 313 Cb -0.89 0.01 1.61 0.00 -0.30 0.00 0.00 42.92 43.35 2baq s ASP 313 CO 0.59 -0.36 2.05 1.55 -0.17 0.00 0.00 175.17 178.83 2baq h PRO 314 N 8.37 0.00 -0.51 4.34 0.13 -1.95 -1.18 132.00 141.20 2baq h PRO 314 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2baq h PRO 314 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2baq h PRO 314 CO 0.31 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.83 2baq n ASP 315 N -2.97 2.35 -0.72 1.44 8.00 -1.26 -3.85 116.55 119.55 2baq n ASP 315 Ca -0.00 -2.15 -0.00 0.00 0.71 0.00 0.00 54.79 53.34 2baq n ASP 315 Cb 0.22 -0.36 -0.00 0.00 -0.02 0.00 0.00 41.12 40.96 2baq n ASP 315 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2baq n ASP 316 N 0.44 0.06 -3.77 -2.24 2.03 -0.46 -4.90 116.55 107.71 2baq n ASP 316 Ca 0.12 -1.72 -0.31 0.00 0.52 0.00 0.00 54.79 53.41 2baq n ASP 316 Cb 0.44 -0.11 -0.08 0.00 -0.72 0.00 0.00 41.12 40.65 2baq n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2baq n GLU 317 N 0.08 2.57 -1.51 -0.67 1.02 -1.10 -4.94 120.64 116.08 2baq n GLU 317 Ca -0.02 -4.57 -0.31 0.00 -0.02 0.00 0.00 57.16 52.24 2baq n GLU 317 Cb 0.72 -2.33 0.06 0.00 -0.02 0.00 0.00 31.44 29.87 2baq n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2baq s PRO 318 N -2.00 2.75 0.46 3.49 0.04 -1.26 -4.95 135.00 133.52 2baq s PRO 318 Ca 0.32 0.97 -0.01 0.00 0.04 0.00 0.00 61.00 62.32 2baq s PRO 318 Cb 0.04 -1.97 0.09 0.00 0.04 0.00 0.00 34.50 32.70 2baq s PRO 318 CO -0.07 -1.24 0.63 1.33 0.04 0.00 0.00 177.00 177.69 2baq n VAL 319 N -3.22 0.00 -4.23 -0.36 0.24 -1.26 -4.29 118.33 105.21 2baq n VAL 319 Ca 0.08 -0.96 -0.28 0.00 -2.04 0.00 0.00 64.34 61.14 2baq n VAL 319 Cb 0.54 -1.10 -0.09 0.00 -1.47 0.00 0.00 33.84 31.71 2baq n VAL 319 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2baq s ALA 320 N -3.06 3.04 0.57 2.33 0.00 -1.26 -4.98 121.76 118.40 2baq s ALA 320 Ca 0.41 -1.32 -0.19 0.00 0.00 0.00 0.00 51.96 50.87 2baq s ALA 320 Cb -0.02 -0.91 -0.08 0.00 0.00 0.00 0.00 23.12 22.12 2baq s ALA 320 CO 0.27 0.57 0.70 -0.25 0.00 0.00 0.00 175.76 177.06 2baq n ASP 321 N 0.33 -0.28 -4.76 0.00 9.92 -1.26 -4.72 116.55 115.78 2baq n ASP 321 Ca -0.12 0.78 -0.38 0.00 -0.53 0.00 0.00 54.79 54.55 2baq n ASP 321 Cb 0.54 -1.25 0.01 0.00 -0.64 0.00 0.00 41.12 39.77 2baq n ASP 321 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 2baq s PRO 322 N -2.29 3.65 -0.17 -0.24 0.02 -1.26 -4.71 135.00 130.00 2baq s PRO 322 Ca 0.71 2.03 0.01 0.00 0.02 0.00 0.00 61.00 63.76 2baq s PRO 322 Cb -0.45 -2.48 0.02 0.00 0.02 0.00 0.00 34.50 31.61 2baq s PRO 322 CO 0.52 -0.71 -0.16 -0.47 -0.33 0.00 0.00 177.00 175.84 2baq s TYR 323 N -1.38 2.45 -0.71 6.54 5.04 -1.26 -5.08 117.35 122.95 2baq s TYR 323 Ca 0.64 -1.43 -0.25 0.00 -2.44 0.00 0.00 57.07 53.59 2baq s TYR 323 Cb -0.35 -1.74 0.05 0.00 0.35 0.00 0.00 41.96 40.27 2baq s TYR 323 CO 0.43 -0.74 1.14 0.34 -1.34 0.00 0.00 175.55 175.38 2baq s ASP 324 N 1.40 6.18 -0.38 4.32 -1.08 -1.26 -4.84 116.67 121.00 2baq s ASP 324 Ca 0.05 -0.76 0.07 0.00 -0.52 0.00 0.00 52.55 51.39 2baq s ASP 324 Cb -0.13 -2.49 0.69 0.00 -1.46 0.00 0.00 42.92 39.53 2baq s ASP 324 CO -0.11 -1.63 1.84 0.00 0.52 0.00 0.00 175.17 175.78 2baq n GLN 325 N 8.54 2.89 0.23 4.34 6.02 -1.26 -4.50 117.38 133.64 2baq n GLN 325 Ca 0.01 -3.06 0.07 0.00 -0.01 0.00 0.00 57.00 54.01 2baq n GLN 325 Cb 0.47 -2.17 0.55 0.00 1.02 0.00 0.00 30.24 30.11 2baq n GLN 325 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2baq h SER 326 N 1.75 0.00 0.07 1.08 4.64 -2.03 -1.90 113.55 117.17 2baq h SER 326 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2baq h SER 326 Cb 2.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.64 2baq h SER 326 CO 0.89 0.19 0.00 2.19 -0.87 0.00 0.00 176.83 179.23 2baq h PHE 327 N 0.00 0.00 -0.01 4.77 -0.00 -1.99 -2.60 116.94 117.11 2baq h PHE 327 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 57.89 2baq h PHE 327 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.31 2baq h PHE 327 CO 0.00 0.00 -0.37 0.93 -0.00 0.00 0.00 178.31 178.87 2baq h GLU 328 N 0.00 0.02 -0.46 6.09 4.39 -1.71 -2.63 114.58 120.28 2baq h GLU 328 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2baq h GLU 328 Cb 0.04 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2baq h GLU 328 CO 0.00 0.39 0.00 -1.13 -1.16 0.00 0.00 179.01 177.11 2baq n SER 329 N -4.10 2.23 -4.79 1.42 3.41 -0.98 -4.89 113.62 105.93 2baq n SER 329 Ca -0.02 -2.10 -0.36 0.00 -0.26 0.00 0.00 58.87 56.14 2baq n SER 329 Cb 0.41 -0.32 -0.07 0.00 -0.26 0.00 0.00 64.21 63.97 2baq n SER 329 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2baq s ARG 330 N -1.59 3.83 -0.52 4.33 0.52 -0.99 -5.07 118.95 119.46 2baq s ARG 330 Ca 0.25 -0.19 -0.16 0.00 -0.52 0.00 0.00 55.73 55.10 2baq s ARG 330 Cb 0.14 -3.30 0.10 0.00 0.52 0.00 0.00 34.95 32.42 2baq s ARG 330 CO 0.15 0.51 0.49 -0.51 0.02 0.00 0.00 175.30 175.96 2baq s ASP 331 N -0.25 6.18 0.45 0.23 1.01 -1.26 -5.08 116.67 117.94 2baq s ASP 331 Ca 0.11 -1.51 0.05 0.00 0.71 0.00 0.00 52.55 51.91 2baq s ASP 331 Cb -0.12 -2.22 -0.05 0.00 1.01 0.00 0.00 42.92 41.55 2baq s ASP 331 CO 0.01 -0.81 0.06 -0.76 0.21 0.00 0.00 175.17 173.88 2baq s LEU 332 N 1.81 2.72 -0.02 1.23 1.43 -1.26 -5.13 118.68 119.46 2baq s LEU 332 Ca 0.05 -1.41 -0.16 0.00 -1.03 0.00 0.00 54.13 51.58 2baq s LEU 332 Cb -0.26 -0.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.95 2baq s LEU 332 CO 0.05 -0.63 0.44 -0.76 0.23 0.00 0.00 176.35 175.69 2baq s LEU 333 N -3.83 4.43 0.00 1.79 1.43 -1.26 -4.91 118.68 116.33 2baq s LEU 333 Ca 0.27 0.96 -0.01 0.00 -1.03 0.00 0.00 54.13 54.31 2baq s LEU 333 Cb 0.06 -2.65 -0.00 0.00 0.03 0.00 0.00 46.19 43.63 2baq s LEU 333 CO 0.14 0.23 0.05 -0.38 0.23 0.00 0.00 176.35 176.62 2baq n ILE 334 N 2.31 -0.02 0.05 -0.59 5.41 -1.26 0.15 119.36 125.41 2baq n ILE 334 Ca -0.12 0.07 0.02 0.00 1.00 0.00 0.00 62.75 63.73 2baq n ILE 334 Cb 0.52 -0.09 0.38 0.00 -0.71 0.00 0.00 39.64 39.74 2baq n ILE 334 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2baq h ASP 335 N 0.00 0.39 0.28 4.38 3.45 -1.97 0.59 116.42 123.54 2baq h ASP 335 Ca 0.01 -0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.40 2baq h ASP 335 Cb 0.01 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 2baq h ASP 335 CO -0.03 0.41 -0.14 -0.33 -1.57 0.00 0.00 179.24 177.59 2baq h GLU 336 N 0.42 -0.36 -0.25 3.56 5.08 0.11 -1.16 114.58 121.97 2baq h GLU 336 Ca 0.10 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.55 2baq h GLU 336 Cb 0.19 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 2baq h GLU 336 CO -0.00 -0.02 -0.21 -1.49 -1.00 0.00 0.00 179.01 176.29 2baq h TRP 337 N -0.82 -0.55 -0.91 4.33 -0.00 -1.15 0.31 115.95 117.16 2baq h TRP 337 Ca -0.04 0.04 0.26 0.00 -0.00 0.00 0.00 58.89 59.15 2baq h TRP 337 Cb 0.51 0.28 -0.15 0.00 -0.00 0.00 0.00 29.16 29.80 2baq h TRP 337 CO 0.04 -0.29 0.28 -0.22 -0.00 0.00 0.00 178.44 178.25 2baq h LYS 338 N -0.21 0.19 -0.28 0.49 3.64 -0.89 -0.53 116.57 118.98 2baq h LYS 338 Ca 0.14 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.32 2baq h LYS 338 Cb 0.42 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2baq h LYS 338 CO -0.38 0.12 -0.55 1.03 -2.27 0.00 0.00 179.45 177.41 2baq h SER 339 N 0.19 0.96 -0.58 4.20 0.87 0.32 -2.40 113.55 117.11 2baq h SER 339 Ca 0.60 -0.52 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 2baq h SER 339 Cb 1.26 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.92 2baq h SER 339 CO -0.68 1.32 0.31 -0.07 -0.53 0.00 0.00 176.83 177.17 2baq h LEU 340 N 0.66 0.76 0.11 2.23 3.38 0.23 -0.64 115.31 122.03 2baq h LEU 340 Ca 0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2baq h LEU 340 Cb 1.16 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2baq h LEU 340 CO 0.12 0.63 -0.05 0.74 0.09 0.00 0.00 178.44 179.97 2baq h THR 341 N 0.85 1.09 -0.65 0.22 2.02 -1.09 -1.27 112.91 114.08 2baq h THR 341 Ca 0.21 -0.84 0.14 0.00 0.77 0.00 0.00 66.41 66.70 2baq h THR 341 Cb 0.06 1.61 -0.11 0.00 -1.74 0.00 0.00 68.15 67.96 2baq h THR 341 CO -0.03 0.20 -0.04 0.22 0.37 0.00 0.00 175.52 176.24 2baq h TYR 342 N -0.54 -0.12 -0.67 3.16 3.20 -1.31 0.22 116.97 120.91 2baq h TYR 342 Ca -0.01 0.05 0.12 0.00 3.14 0.00 0.00 58.73 62.03 2baq h TYR 342 Cb 0.44 0.15 -0.13 0.00 1.54 0.00 0.00 36.73 38.74 2baq h TYR 342 CO 0.05 -0.21 -0.28 -0.44 -1.64 0.00 0.00 178.16 175.64 2baq h ASP 343 N 0.08 -1.00 -0.05 -2.11 3.32 -0.67 0.12 116.42 116.12 2baq h ASP 343 Ca 0.34 0.23 -0.09 0.00 0.02 0.00 0.00 57.03 57.53 2baq h ASP 343 Cb 0.55 0.54 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 2baq h ASP 343 CO -0.59 -0.28 -0.22 -0.33 -1.72 0.00 0.00 179.24 176.10 2baq h GLU 344 N -0.09 0.45 0.84 3.56 4.39 0.49 0.70 114.58 124.91 2baq h GLU 344 Ca 0.28 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 2baq h GLU 344 Cb 0.55 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2baq h GLU 344 CO -0.73 0.64 -0.46 0.28 -1.16 0.00 0.00 179.01 177.59 2baq h VAL 345 N 0.40 0.00 -0.89 3.13 2.07 -0.01 -2.97 116.25 117.98 2baq h VAL 345 Ca 0.06 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.80 2baq h VAL 345 Cb 0.60 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 2baq h VAL 345 CO 0.04 0.00 0.60 0.40 0.02 0.00 0.00 177.57 178.63 2baq h ILE 346 N -1.20 0.66 -0.28 4.57 1.08 -0.55 -2.22 117.51 119.57 2baq h ILE 346 Ca -0.11 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 2baq h ILE 346 Cb 0.94 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 2baq h ILE 346 CO 0.15 0.06 0.00 -1.54 -0.69 0.00 0.00 178.15 176.13 2baq n SER 347 N -4.48 2.30 -4.77 1.72 3.41 0.22 -4.94 113.62 107.08 2baq n SER 347 Ca 0.19 -1.85 -0.36 0.00 -0.26 0.00 0.00 58.87 56.59 2baq n SER 347 Cb 0.73 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2baq n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2baq s PHE 348 N -1.64 2.69 -0.06 7.33 5.36 -0.84 -5.03 117.98 125.80 2baq s PHE 348 Ca 0.34 1.52 -0.00 0.00 -0.96 0.00 0.00 56.93 57.83 2baq s PHE 348 Cb 0.19 -3.40 0.03 0.00 -0.34 0.00 0.00 43.02 39.49 2baq s PHE 348 CO 0.27 -1.74 -0.02 0.54 -1.46 0.00 0.00 175.22 172.81 2baq s VAL 349 N -1.61 0.44 1.00 3.12 0.11 -1.26 -5.11 120.40 117.09 2baq s VAL 349 Ca 0.69 0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 59.64 2baq s VAL 349 Cb -0.28 -0.53 0.19 0.00 -1.53 0.00 0.00 36.38 34.23 2baq s VAL 349 CO 0.33 0.24 1.11 -2.16 -3.33 0.00 0.00 175.10 171.29 2baq s PRO 350 N 1.42 0.38 0.00 1.54 0.04 -1.26 -5.06 135.00 132.05 2baq s PRO 350 Ca -0.03 1.36 0.28 0.00 0.04 0.00 0.00 61.00 62.64 2baq s PRO 350 Cb -0.13 -1.67 1.02 0.00 0.04 0.00 0.00 34.50 33.76 2baq s PRO 350 CO -0.03 -3.01 1.73 -0.35 0.04 0.00 0.00 177.00 175.38