#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hjr s ALA 5 N 2.03 3.10 0.46 0.00 0.00 -1.26 -4.39 121.76 121.70 3hjr s ALA 5 Ca 0.10 -0.43 -0.23 0.00 0.00 0.00 0.00 51.96 51.40 3hjr s ALA 5 Cb -0.16 -2.86 -0.07 0.00 0.00 0.00 0.00 23.12 20.02 3hjr s ALA 5 CO -0.32 -0.89 1.16 -2.14 0.00 0.00 0.00 175.76 173.57 3hjr s PRO 6 N -5.16 3.76 0.07 0.00 0.02 -1.26 -4.92 135.00 127.51 3hjr s PRO 6 Ca 0.55 1.77 0.02 0.00 0.02 0.00 0.00 61.00 63.36 3hjr s PRO 6 Cb -0.11 -2.41 -0.04 0.00 0.02 0.00 0.00 34.50 31.97 3hjr s PRO 6 CO 0.49 -0.55 0.14 -0.51 -0.33 0.00 0.00 177.00 176.24 3hjr s LEU 7 N -3.02 4.04 0.00 -5.54 1.43 -0.16 -5.01 118.68 110.41 3hjr s LEU 7 Ca 0.64 0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.72 3hjr s LEU 7 Cb -0.28 -2.68 0.21 0.00 0.03 0.00 0.00 46.19 43.46 3hjr s LEU 7 CO 0.35 0.17 1.26 0.35 0.23 0.00 0.00 176.35 178.71 3hjr n THR 8 N 0.35 0.00 0.22 5.49 -2.24 -1.26 -4.20 114.28 112.65 3hjr n THR 8 Ca -0.07 -1.17 0.17 0.00 -2.27 0.00 0.00 64.05 60.71 3hjr n THR 8 Cb 0.51 -1.33 0.85 0.00 -2.10 0.00 0.00 70.33 68.27 3hjr n THR 8 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3hjr h GLY 9 N -1.45 0.00 -3.60 3.38 0.00 -1.99 -3.40 103.07 96.01 3hjr h GLY 9 Ca -0.41 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.59 3hjr h GLY 9 CO 0.32 0.00 -0.86 0.28 0.00 0.00 0.00 176.54 176.28 3hjr n LYS 10 N -3.70 2.37 -2.83 4.80 4.76 -1.26 -5.00 118.16 117.30 3hjr n LYS 10 Ca 0.01 -3.61 -0.42 0.00 -2.87 0.00 0.00 58.31 51.42 3hjr n LYS 10 Cb 0.31 -1.74 -0.04 0.00 -1.84 0.00 0.00 35.03 31.72 3hjr n LYS 10 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3hjr s GLU 11 N -3.20 4.12 0.59 1.97 8.01 -1.26 -5.05 118.70 123.87 3hjr s GLU 11 Ca 0.41 0.93 -0.15 0.00 0.01 0.00 0.00 54.97 56.17 3hjr s GLU 11 Cb 0.38 -3.68 -0.04 0.00 -4.31 0.00 0.00 34.13 26.48 3hjr s GLU 11 CO -0.02 -0.64 1.04 -1.12 0.01 0.00 0.00 175.26 174.53 3hjr s SER 12 N 1.44 5.92 0.00 -0.19 0.01 -1.26 -3.51 113.70 116.12 3hjr s SER 12 Ca 0.37 1.75 0.00 0.00 1.31 0.00 0.00 55.95 59.38 3hjr s SER 12 Cb -0.14 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.56 3hjr s SER 12 CO 0.10 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.29 3hjr n GLY 13 N -1.20 0.36 3.67 3.44 0.00 -1.26 -4.98 105.19 105.22 3hjr n GLY 13 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3hjr n GLY 13 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hjr s MET 14 N -0.62 4.20 -0.40 1.61 0.00 -1.23 -4.98 119.30 117.88 3hjr s MET 14 Ca 0.00 2.19 -0.19 0.00 0.00 0.00 0.00 55.69 57.70 3hjr s MET 14 Cb 0.00 -3.87 0.01 0.00 0.00 0.00 0.00 34.83 30.97 3hjr s MET 14 CO 0.00 -0.80 0.53 0.34 0.00 0.00 0.00 175.02 175.10 3hjr s ASP 15 N 3.01 6.28 -0.00 1.11 3.68 -1.26 -4.94 116.67 124.56 3hjr s ASP 15 Ca 0.72 -0.30 0.15 0.00 2.13 0.00 0.00 52.55 55.26 3hjr s ASP 15 Cb -0.34 -2.27 0.45 0.00 -1.45 0.00 0.00 42.92 39.30 3hjr s ASP 15 CO 0.30 -0.60 1.37 2.30 0.13 0.00 0.00 175.17 178.67 3hjr n ILE 16 N 5.56 0.70 -2.08 4.11 -5.35 -1.26 -4.72 119.36 116.32 3hjr n ILE 16 Ca -0.04 -0.68 -0.24 0.00 -0.27 0.00 0.00 62.75 61.51 3hjr n ILE 16 Cb 0.48 0.32 0.16 0.00 -1.74 0.00 0.00 39.64 38.86 3hjr n ILE 16 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hjr n GLY 17 N 1.28 -0.74 0.00 3.28 0.00 -1.26 -4.77 105.19 102.98 3hjr n GLY 17 Ca 0.17 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.51 3hjr n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjr n ARG 18 N -3.23 0.43 -0.59 1.61 1.74 -1.26 -3.20 116.66 112.16 3hjr n ARG 18 Ca 0.15 0.03 0.04 0.00 -0.77 0.00 0.00 57.85 57.30 3hjr n ARG 18 Cb 0.52 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.52 3hjr n ARG 18 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3hjr n SER 19 N -1.25 0.95 -4.75 0.55 3.41 -1.26 -4.54 113.62 106.72 3hjr n SER 19 Ca 0.13 -2.47 -0.36 0.00 -0.26 0.00 0.00 58.87 55.92 3hjr n SER 19 Cb 0.20 -0.31 0.04 0.00 -0.26 0.00 0.00 64.21 63.88 3hjr n SER 19 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hjr s SER 20 N -1.89 5.11 0.43 4.04 0.15 -1.19 -4.93 113.70 115.41 3hjr s SER 20 Ca 0.18 2.38 0.29 0.00 0.70 0.00 0.00 55.95 59.49 3hjr s SER 20 Cb 0.18 -2.60 1.04 0.00 -1.71 0.00 0.00 66.02 62.93 3hjr s SER 20 CO -0.03 -1.65 1.83 0.71 1.20 0.00 0.00 173.24 175.30 3hjr h THR 21 N 0.77 0.00 -0.02 6.45 1.35 -1.94 -2.72 112.91 116.80 3hjr h THR 21 Ca -0.50 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 3hjr h THR 21 Cb 1.30 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3hjr h THR 21 CO 0.55 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.20 3hjr n GLU 22 N -2.80 1.28 -2.71 4.72 -0.58 -1.26 -4.90 120.64 114.39 3hjr n GLU 22 Ca 0.02 -0.40 -0.43 0.00 -0.42 0.00 0.00 57.16 55.93 3hjr n GLU 22 Cb 0.34 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 29.73 3hjr n GLU 22 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 3hjr s ARG 23 N -1.98 3.82 -0.00 3.49 3.52 -1.03 -4.95 118.95 121.81 3hjr s ARG 23 Ca 0.41 0.63 -0.28 0.00 -0.13 0.00 0.00 55.73 56.35 3hjr s ARG 23 Cb 0.20 -3.84 0.10 0.00 -1.56 0.00 0.00 34.95 29.85 3hjr s ARG 23 CO 0.33 -1.11 0.87 0.00 -0.81 0.00 0.00 175.30 174.58 3hjr s LEU 25 N -2.42 3.40 0.86 0.00 1.43 -1.26 -4.78 118.68 115.92 3hjr s LEU 25 Ca 0.04 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 3hjr s LEU 25 Cb -0.01 -1.86 0.11 0.00 0.03 0.00 0.00 46.19 44.46 3hjr s LEU 25 CO -0.09 0.10 1.11 -2.84 0.23 0.00 0.00 176.35 174.86 3hjr s PRO 26 N 0.77 1.50 0.00 1.29 0.02 -1.26 -4.78 135.00 132.53 3hjr s PRO 26 Ca 0.01 1.22 0.00 0.00 0.02 0.00 0.00 61.00 62.25 3hjr s PRO 26 Cb -0.14 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.57 3hjr s PRO 26 CO 0.02 -2.19 0.00 0.41 -0.33 0.00 0.00 177.00 174.91 3hjr n GLY 27 N -0.61 3.48 0.36 0.52 0.00 -1.26 -4.94 105.19 102.73 3hjr n GLY 27 Ca 0.09 -1.86 0.08 0.00 0.00 0.00 0.00 46.02 44.32 3hjr n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hjr n ALA 28 N -1.30 2.74 -2.32 4.61 0.00 -1.25 -4.99 120.51 118.01 3hjr n ALA 28 Ca 0.00 -2.74 -0.43 0.00 0.00 0.00 0.00 53.44 50.28 3hjr n ALA 28 Cb 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 3hjr n ALA 28 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3hjr s ASN 29 N -2.82 6.46 0.56 0.00 0.01 -1.13 -4.34 114.94 113.68 3hjr s ASN 29 Ca 0.32 1.15 0.26 0.00 -0.71 0.00 0.00 52.86 53.87 3hjr s ASN 29 Cb 0.30 -2.54 1.48 0.00 0.41 0.00 0.00 41.25 40.90 3hjr s ASN 29 CO -0.02 -1.27 2.05 -0.65 -1.51 0.00 0.00 177.10 175.70 3hjr h PRO 30 N 10.24 0.00 -0.02 -0.60 0.10 -1.74 -1.47 132.00 138.50 3hjr h PRO 30 Ca -0.28 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.82 3hjr h PRO 30 Cb 1.11 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.21 3hjr h PRO 30 CO 1.05 0.00 -0.14 1.28 0.10 0.00 0.00 178.00 180.28 3hjr n LEU 31 N -4.13 1.96 0.13 2.35 4.32 -0.66 -4.56 117.00 116.41 3hjr n LEU 31 Ca 0.05 -0.65 0.03 0.00 -0.02 0.00 0.00 56.01 55.41 3hjr n LEU 31 Cb 0.44 -0.02 0.42 0.00 -1.62 0.00 0.00 43.42 42.63 3hjr n LEU 31 CO 0.32 0.34 0.92 0.06 -1.22 0.00 0.00 177.39 177.81 3hjr h GLN 32 N 2.85 0.22 0.00 3.23 3.07 -1.43 -1.58 115.11 121.48 3hjr h GLN 32 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.69 3hjr h GLN 32 Cb 0.70 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.23 3hjr h GLN 32 CO 0.00 0.34 0.00 -0.25 0.09 0.00 0.00 178.83 179.01 3hjr n ASP 33 N -4.31 0.00 -0.81 0.06 10.43 -1.26 -1.41 116.55 119.26 3hjr n ASP 33 Ca -0.01 0.05 0.08 0.00 2.57 0.00 0.00 54.79 57.48 3hjr n ASP 33 Cb 0.24 -0.29 0.17 0.00 1.84 0.00 0.00 41.12 43.08 3hjr n ASP 33 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hjr n GLN 34 N -1.29 2.33 -2.93 -1.24 1.13 -0.60 -4.73 117.38 110.06 3hjr n GLN 34 Ca 0.08 -2.02 -0.44 0.00 -1.94 0.00 0.00 57.00 52.69 3hjr n GLN 34 Cb 0.14 -1.35 -0.01 0.00 0.11 0.00 0.00 30.24 29.13 3hjr n GLN 34 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3hjr s GLN 35 N -1.08 3.94 0.60 -1.09 -0.21 -0.50 -4.26 119.66 117.05 3hjr s GLN 35 Ca 0.28 -2.31 0.37 0.00 0.02 0.00 0.00 55.36 53.71 3hjr s GLN 35 Cb 0.16 -5.03 1.90 0.00 1.00 0.00 0.00 33.01 31.04 3hjr s GLN 35 CO 0.21 -1.78 2.20 0.11 -2.12 0.00 0.00 175.29 173.91 3hjr h TRP 36 N 7.69 0.00 0.00 0.91 5.08 -1.83 -2.13 115.95 125.66 3hjr h TRP 36 Ca 0.27 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 60.15 3hjr h TRP 36 Cb 0.92 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.07 3hjr h TRP 36 CO 1.13 0.03 -0.43 0.10 -1.28 0.00 0.00 178.44 177.99 3hjr h TYR 37 N 0.00 0.00 -0.10 0.12 -0.00 -1.89 -1.57 116.97 113.53 3hjr h TYR 37 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.67 3hjr h TYR 37 Cb 0.20 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.93 3hjr h TYR 37 CO 0.00 0.43 -0.16 -0.07 -0.00 0.00 0.00 178.16 178.36 3hjr h LEU 38 N 0.00 0.31 -6.74 0.10 3.38 -1.75 -2.08 115.31 108.54 3hjr h LEU 38 Ca -0.00 -0.53 0.08 0.00 0.09 0.00 0.00 57.88 57.52 3hjr h LEU 38 Cb 0.92 -0.09 -0.20 0.00 0.09 0.00 0.00 40.66 41.38 3hjr h LEU 38 CO 0.06 0.79 -0.16 -0.22 0.09 0.00 0.00 178.44 178.99 3hjr s LEU 39 N -9.01 -1.20 -0.43 1.67 0.20 -1.08 -4.34 118.68 104.49 3hjr s LEU 39 Ca -0.15 1.39 -0.14 0.00 0.69 0.00 0.00 54.13 55.92 3hjr s LEU 39 Cb 0.04 2.26 0.05 0.00 -0.43 0.00 0.00 46.19 48.11 3hjr s LEU 39 CO 0.74 -0.23 0.32 0.21 -0.29 0.00 0.00 176.35 177.11 3hjr s ASN 40 N 2.88 6.01 -0.05 3.68 3.04 -0.61 -4.22 114.94 125.68 3hjr s ASN 40 Ca 0.01 -1.18 0.15 0.00 0.04 0.00 0.00 52.86 51.88 3hjr s ASN 40 Cb -0.13 -2.13 0.49 0.00 -1.54 0.00 0.00 41.25 37.94 3hjr s ASN 40 CO -0.19 -0.54 1.41 -1.54 -3.04 0.00 0.00 177.10 173.19 3hjr n SER 41 N 5.13 3.63 0.00 -4.21 3.41 -1.26 -1.17 113.62 119.14 3hjr n SER 41 Ca -0.12 -2.23 0.00 0.00 -0.26 0.00 0.00 58.87 56.27 3hjr n SER 41 Cb 0.45 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3hjr n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hjr n GLY 42 N 0.72 0.68 3.87 5.00 0.00 -1.26 -4.69 105.19 109.50 3hjr n GLY 42 Ca 0.18 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 3hjr n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hjr s GLN 43 N -0.96 3.60 0.00 1.61 1.11 -1.26 -4.06 119.66 119.70 3hjr s GLN 43 Ca 0.00 0.76 0.25 0.00 0.01 0.00 0.00 55.36 56.38 3hjr s GLN 43 Cb 0.00 -2.08 0.55 0.00 -1.01 0.00 0.00 33.01 30.47 3hjr s GLN 43 CO 0.00 -0.57 1.43 -0.40 0.01 0.00 0.00 175.29 175.77 3hjr n ASP 44 N -2.72 1.32 -2.65 5.90 3.85 -1.26 -3.84 116.55 117.16 3hjr n ASP 44 Ca 0.06 -1.08 -0.19 0.00 -0.71 0.00 0.00 54.79 52.87 3hjr n ASP 44 Cb 0.54 0.23 0.00 0.00 -1.35 0.00 0.00 41.12 40.54 3hjr n ASP 44 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hjr n GLY 45 N 1.36 -0.50 2.71 6.12 0.00 -1.26 -1.04 105.19 112.57 3hjr n GLY 45 Ca 0.11 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3hjr n GLY 45 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hjr n PHE 46 N -3.93 0.00 -2.40 1.61 3.72 -1.26 -4.72 117.46 110.49 3hjr n PHE 46 Ca -0.16 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.03 3hjr n PHE 46 Cb 0.64 -0.89 0.12 0.00 -0.94 0.00 0.00 39.48 38.41 3hjr n PHE 46 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3hjr n SER 47 N -0.36 0.93 0.19 4.37 3.41 -0.21 -1.10 113.62 120.85 3hjr n SER 47 Ca 0.00 -1.85 0.03 0.00 -0.26 0.00 0.00 58.87 56.78 3hjr n SER 47 Cb 0.18 -0.62 0.36 0.00 -0.26 0.00 0.00 64.21 63.88 3hjr n SER 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hjr h ALA 48 N -0.84 1.40 -2.59 7.33 0.00 -1.18 -3.46 119.26 119.92 3hjr h ALA 48 Ca -0.30 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 3hjr h ALA 48 Cb 1.03 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 3hjr h ALA 48 CO 0.29 0.45 -0.26 -0.98 0.00 0.00 0.00 179.25 178.75 3hjr s ARG 49 N -4.22 0.92 0.57 0.00 1.70 -1.13 -5.01 118.95 111.78 3hjr s ARG 49 Ca -0.03 -0.85 -0.03 0.00 -0.47 0.00 0.00 55.73 54.35 3hjr s ARG 49 Cb 0.14 0.39 0.02 0.00 -0.57 0.00 0.00 34.95 34.93 3hjr s ARG 49 CO 0.72 -0.32 0.84 0.20 -1.08 0.00 0.00 175.30 175.66 3hjr s GLY 50 N -2.80 1.67 0.00 3.88 0.00 -1.26 -3.92 107.32 104.89 3hjr s GLY 50 Ca 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.78 3hjr s GLY 50 CO -0.11 -0.70 0.00 0.61 0.00 0.00 0.00 173.10 172.90 3hjr n GLY 51 N -2.47 1.60 3.46 0.20 0.00 -1.25 -4.94 105.19 101.79 3hjr n GLY 51 Ca 0.05 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 3hjr n GLY 51 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hjr s ILE 52 N 2.49 3.77 0.48 -0.61 2.07 -0.15 -4.50 121.20 124.76 3hjr s ILE 52 Ca 0.00 -0.40 -0.23 0.00 -1.41 0.00 0.00 60.65 58.61 3hjr s ILE 52 Cb 0.00 -2.66 -0.08 0.00 0.13 0.00 0.00 42.46 39.85 3hjr s ILE 52 CO 0.00 0.48 1.18 0.00 -1.91 0.00 0.00 174.94 174.69 3hjr n ALA 53 N 3.72 0.93 0.00 1.50 0.00 -1.26 -2.98 120.51 122.41 3hjr n ALA 53 Ca -0.17 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3hjr n ALA 53 Cb 0.52 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.75 3hjr n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hjr n GLY 54 N 0.96 3.11 3.49 0.00 0.00 -0.32 -4.97 105.19 107.47 3hjr n GLY 54 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3hjr n GLY 54 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hjr s ASN 55 N -1.13 6.71 0.00 1.61 -0.87 -1.16 -4.84 114.94 115.27 3hjr s ASN 55 Ca 0.00 -2.14 0.00 0.00 -1.57 0.00 0.00 52.86 49.15 3hjr s ASN 55 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 41.25 38.77 3hjr s ASN 55 CO 0.00 -1.11 0.00 -0.90 -2.57 0.00 0.00 177.10 172.52 3hjr n ASP 56 N 7.08 0.00 -0.24 -1.22 3.85 -1.26 -4.65 116.55 120.11 3hjr n ASP 56 Ca 0.31 -0.88 0.15 0.00 -0.71 0.00 0.00 54.79 53.66 3hjr n ASP 56 Cb 0.48 0.00 0.68 0.00 -1.35 0.00 0.00 41.12 40.93 3hjr n ASP 56 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3hjr n LEU 57 N 0.00 0.78 -4.00 -2.12 4.77 -0.78 -4.80 117.00 110.85 3hjr n LEU 57 Ca 0.00 -0.22 -0.43 0.00 -0.03 0.00 0.00 56.01 55.33 3hjr n LEU 57 Cb 0.00 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3hjr n LEU 57 CO 0.00 0.13 -0.16 -3.20 -1.33 0.00 0.00 177.39 172.83 3hjr n ASN 58 N -0.47 -4.38 -0.34 -1.43 5.15 -1.26 -1.46 115.26 111.07 3hjr n ASN 58 Ca 0.19 -1.23 0.05 0.00 -0.60 0.00 0.00 54.58 52.99 3hjr n ASN 58 Cb 0.26 -1.87 0.03 0.00 -0.53 0.00 0.00 39.78 37.67 3hjr n ASN 58 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hjr n LEU 59 N -4.70 1.65 -0.16 1.20 -0.00 -1.26 -0.53 117.00 113.20 3hjr n LEU 59 Ca -0.13 -0.96 0.15 0.00 -0.00 0.00 0.00 56.01 55.08 3hjr n LEU 59 Cb 0.58 0.00 0.51 0.00 -0.00 0.00 0.00 43.42 44.51 3hjr n LEU 59 CO 0.73 0.33 1.21 4.11 -0.00 0.00 0.00 177.39 183.76 3hjr h TRP 60 N 1.66 0.47 -0.02 1.47 5.08 -1.87 -1.65 115.95 121.10 3hjr h TRP 60 Ca 0.00 0.01 -0.22 0.00 1.08 0.00 0.00 58.89 59.76 3hjr h TRP 60 Cb 0.37 -0.15 0.00 0.00 -3.00 0.00 0.00 29.16 26.38 3hjr h TRP 60 CO 0.00 0.18 -0.92 2.35 -1.28 0.00 0.00 178.44 178.77 3hjr h TRP 61 N 0.40 0.65 -0.21 0.12 7.01 -1.86 0.01 115.95 122.07 3hjr h TRP 61 Ca 0.36 -0.34 0.06 0.00 2.11 0.00 0.00 58.89 61.08 3hjr h TRP 61 Cb 0.84 -0.08 -0.07 0.00 -2.10 0.00 0.00 29.16 27.76 3hjr h TRP 61 CO -0.00 1.16 -0.25 0.00 -2.79 0.00 0.00 178.44 176.55 3hjr h ALA 62 N 0.73 -0.18 -0.48 2.65 0.00 -1.62 -1.48 119.26 118.89 3hjr h ALA 62 Ca -0.08 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hjr h ALA 62 Cb 1.55 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 3hjr h ALA 62 CO 0.16 -0.69 0.25 0.45 0.00 0.00 0.00 179.25 179.42 3hjr h HIS 63 N -0.28 0.68 -0.05 0.00 3.86 -1.20 0.76 115.15 118.92 3hjr h HIS 63 Ca 0.13 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.24 3hjr h HIS 63 Cb 0.47 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 3hjr h HIS 63 CO -0.39 0.53 -0.28 0.00 0.86 0.00 0.00 177.93 178.65 3hjr h ARG 64 N 0.64 0.09 -0.09 2.45 3.08 -0.86 -2.71 114.38 116.97 3hjr h ARG 64 Ca 0.17 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3hjr h ARG 64 Cb 0.09 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3hjr h ARG 64 CO -0.02 0.37 0.00 0.25 -1.07 0.00 0.00 179.97 179.49 3hjr n THR 65 N -4.18 0.10 -0.57 2.04 -2.24 -0.57 -0.99 114.28 107.87 3hjr n THR 65 Ca -0.02 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3hjr n THR 65 Cb 0.35 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 3hjr n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hjr n GLY 66 N 1.22 0.72 3.58 3.38 0.00 -0.78 -4.90 105.19 108.40 3hjr n GLY 66 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3hjr n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hjr s VAL 67 N -2.15 3.84 0.00 1.61 1.01 0.19 -4.81 120.40 120.09 3hjr s VAL 67 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.72 3hjr s VAL 67 Cb 0.00 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 31.93 3hjr s VAL 67 CO 0.00 -1.14 0.41 0.18 0.00 0.00 0.00 175.10 174.55 3hjr n LEU 68 N 9.32 0.22 0.00 3.92 4.77 -1.26 -3.75 117.00 130.22 3hjr n LEU 68 Ca 0.12 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3hjr n LEU 68 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3hjr n LEU 68 CO 0.71 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 3hjr n GLY 69 N -0.05 0.78 3.61 -0.72 0.00 -1.26 -0.91 105.19 106.64 3hjr n GLY 69 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.45 3hjr n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hjr n GLN 70 N -2.06 0.76 -0.69 1.61 3.00 -1.25 -1.76 117.38 116.98 3hjr n GLN 70 Ca 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 3hjr n GLN 70 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 30.24 28.36 3hjr n GLN 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hjr n GLY 71 N 2.78 1.27 3.71 1.08 0.00 -1.26 -4.63 105.19 108.15 3hjr n GLY 71 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 3hjr n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hjr s VAL 72 N -3.56 5.36 -0.24 1.61 1.01 -0.72 -5.01 120.40 118.86 3hjr s VAL 72 Ca 0.00 0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.15 3hjr s VAL 72 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 3hjr s VAL 72 CO 0.00 0.39 0.24 0.20 0.00 0.00 0.00 175.10 175.93 3hjr s ASN 73 N 0.62 6.20 -0.12 3.32 0.02 -1.26 -1.47 114.94 122.26 3hjr s ASN 73 Ca 0.10 0.22 0.03 0.00 -1.02 0.00 0.00 52.86 52.19 3hjr s ASN 73 Cb -0.12 -2.15 0.00 0.00 0.02 0.00 0.00 41.25 39.00 3hjr s ASN 73 CO 0.02 -0.00 -0.22 -0.69 0.02 0.00 0.00 177.10 176.22 3hjr s VAL 74 N 1.27 2.19 -0.17 1.60 1.01 0.33 -0.68 120.40 125.96 3hjr s VAL 74 Ca 0.11 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 3hjr s VAL 74 Cb -0.14 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 3hjr s VAL 74 CO 0.06 0.55 0.24 0.00 0.00 0.00 0.00 175.10 175.96 3hjr s ALA 75 N 0.50 3.63 -0.35 5.51 0.00 0.01 -2.08 121.76 128.99 3hjr s ALA 75 Ca -0.14 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 3hjr s ALA 75 Cb -0.17 -2.31 0.05 0.00 0.00 0.00 0.00 23.12 20.69 3hjr s ALA 75 CO 0.05 0.14 0.11 0.08 0.00 0.00 0.00 175.76 176.14 3hjr s VAL 76 N 0.34 3.61 -0.47 0.00 1.01 -0.11 -0.73 120.40 124.05 3hjr s VAL 76 Ca 0.14 -1.31 -0.13 0.00 0.00 0.00 0.00 61.98 60.68 3hjr s VAL 76 Cb -0.12 -3.11 0.08 0.00 0.00 0.00 0.00 36.38 33.23 3hjr s VAL 76 CO 0.02 -0.25 0.37 -0.69 0.00 0.00 0.00 175.10 174.55 3hjr s VAL 77 N 1.34 4.90 0.00 2.92 1.01 -0.90 -1.79 120.40 127.89 3hjr s VAL 77 Ca -0.01 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.72 3hjr s VAL 77 Cb -0.20 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.19 3hjr s VAL 77 CO 0.01 -0.60 0.00 -0.67 0.00 0.00 0.00 175.10 173.84 3hjr n ASP 78 N 5.11 0.00 -0.17 3.32 2.03 -0.52 -4.36 116.55 121.97 3hjr n ASP 78 Ca -0.12 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.33 3hjr n ASP 78 Cb 0.43 0.00 0.56 0.00 -0.72 0.00 0.00 41.12 41.38 3hjr n ASP 78 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3hjr n ASP 79 N 0.00 0.68 0.00 1.67 5.68 -1.26 -1.11 116.55 122.21 3hjr n ASP 79 Ca 0.00 -0.74 0.00 0.00 -0.50 0.00 0.00 54.79 53.55 3hjr n ASP 79 Cb 0.00 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 3hjr n ASP 79 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hjr n GLY 80 N 1.28 2.38 3.45 6.12 0.00 -1.26 -3.61 105.19 113.54 3hjr n GLY 80 Ca 0.15 -1.42 -0.01 0.00 0.00 0.00 0.00 46.02 44.74 3hjr n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hjr s LEU 81 N 0.00 -1.15 -1.02 0.99 0.20 -0.32 -3.49 118.68 113.90 3hjr s LEU 81 Ca 0.00 1.28 -0.23 0.00 0.69 0.00 0.00 54.13 55.87 3hjr s LEU 81 Cb 0.00 2.13 0.02 0.00 -0.43 0.00 0.00 46.19 47.92 3hjr s LEU 81 CO 0.00 -0.24 1.61 0.00 -0.29 0.00 0.00 176.35 177.43 3hjr s ALA 82 N 2.85 2.47 -0.53 5.97 0.00 -1.26 -2.61 121.76 128.66 3hjr s ALA 82 Ca 0.03 -2.12 0.23 0.00 0.00 0.00 0.00 51.96 50.09 3hjr s ALA 82 Cb -0.13 -4.55 0.95 0.00 0.00 0.00 0.00 23.12 19.39 3hjr s ALA 82 CO -0.19 -3.93 1.70 0.44 0.00 0.00 0.00 175.76 173.78 3hjr n ILE 83 N 7.12 0.82 1.23 0.00 -5.35 -1.26 -1.88 119.36 120.04 3hjr n ILE 83 Ca 0.36 0.21 0.13 0.00 -0.27 0.00 0.00 62.75 63.18 3hjr n ILE 83 Cb 0.49 -1.12 0.30 0.00 -1.74 0.00 0.00 39.64 37.57 3hjr n ILE 83 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hjr n ALA 84 N -1.75 2.98 -1.61 -1.28 0.00 -1.26 -3.79 120.51 113.79 3hjr n ALA 84 Ca 0.02 -0.50 -0.49 0.00 0.00 0.00 0.00 53.44 52.47 3hjr n ALA 84 Cb 0.23 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 3hjr n ALA 84 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3hjr n HIS 85 N -0.06 1.66 0.19 0.00 -0.00 -0.79 -4.69 115.22 111.52 3hjr n HIS 85 Ca 0.13 0.56 0.17 0.00 -0.00 0.00 0.00 57.72 58.59 3hjr n HIS 85 Cb 0.41 -2.37 0.80 0.00 -0.00 0.00 0.00 29.99 28.83 3hjr n HIS 85 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3hjr h PRO 86 N 4.47 0.00 -0.53 1.57 0.13 -1.93 0.09 132.00 135.80 3hjr h PRO 86 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3hjr h PRO 86 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3hjr h PRO 86 CO 0.78 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 175.08 3hjr n ASP 87 N -3.89 3.78 0.00 1.44 4.64 -1.26 -4.46 116.55 116.80 3hjr n ASP 87 Ca 0.02 -2.20 0.00 0.00 -1.38 0.00 0.00 54.79 51.23 3hjr n ASP 87 Cb 0.35 -0.42 0.00 0.00 -1.04 0.00 0.00 41.12 40.00 3hjr n ASP 87 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3hjr n LEU 88 N 0.92 0.00 -0.16 -2.67 4.77 -0.13 -0.88 117.00 118.84 3hjr n LEU 88 Ca 0.20 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.20 3hjr n LEU 88 Cb 0.64 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 42.04 3hjr n LEU 88 CO 0.15 0.00 1.22 0.00 -1.33 0.00 0.00 177.39 177.43 3hjr h ALA 89 N 0.00 1.57 0.00 -1.18 0.00 -1.24 -1.18 119.26 117.23 3hjr h ALA 89 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3hjr h ALA 89 Cb 0.77 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3hjr h ALA 89 CO 0.00 0.38 -0.15 -0.44 0.00 0.00 0.00 179.25 179.04 3hjr h ASP 90 N 0.86 0.00 -0.26 0.00 3.32 -1.87 -1.98 116.42 116.49 3hjr h ASP 90 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3hjr h ASP 90 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3hjr h ASP 90 CO -0.06 0.15 0.00 0.59 -1.72 0.00 0.00 179.24 178.20 3hjr n ASN 91 N -4.17 2.63 -4.68 6.45 5.03 -0.46 -4.89 115.26 115.18 3hjr n ASN 91 Ca -0.02 -1.87 -0.40 0.00 0.87 0.00 0.00 54.58 53.16 3hjr n ASN 91 Cb 0.23 -0.17 -0.06 0.00 -1.02 0.00 0.00 39.78 38.76 3hjr n ASN 91 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hjr s VAL 92 N -1.67 5.05 0.32 2.41 1.01 -0.75 -0.20 120.40 126.58 3hjr s VAL 92 Ca 0.35 1.19 0.07 0.00 0.00 0.00 0.00 61.98 63.59 3hjr s VAL 92 Cb 0.20 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 3hjr s VAL 92 CO 0.29 0.17 0.38 0.00 0.00 0.00 0.00 175.10 175.94 3hjr s ARG 93 N 1.51 2.99 0.54 2.72 1.70 -0.68 -4.88 118.95 122.84 3hjr s ARG 93 Ca 0.30 -1.10 -0.22 0.00 -0.47 0.00 0.00 55.73 54.24 3hjr s ARG 93 Cb -0.16 -2.68 -0.05 0.00 -0.57 0.00 0.00 34.95 31.48 3hjr s ARG 93 CO 0.12 0.13 1.38 -2.30 -1.08 0.00 0.00 175.30 173.54 3hjr n PRO 94 N -1.49 1.77 0.00 3.89 -0.02 -1.26 -4.40 135.00 133.49 3hjr n PRO 94 Ca -0.02 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3hjr n PRO 94 Cb 0.59 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3hjr n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hjr n GLY 95 N 0.72 0.78 3.64 -1.23 0.00 -1.26 -4.97 105.19 102.87 3hjr n GLY 95 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3hjr n GLY 95 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hjr n SER 96 N 0.00 0.63 -3.84 1.61 7.64 -1.26 -4.80 113.62 113.60 3hjr n SER 96 Ca 0.00 0.61 -0.19 0.00 1.01 0.00 0.00 58.87 60.31 3hjr n SER 96 Cb 0.00 -1.45 -0.16 0.00 -1.01 0.00 0.00 64.21 61.59 3hjr n SER 96 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3hjr s LYS 97 N -3.72 0.50 -0.40 1.43 2.20 -1.01 -4.46 119.74 114.27 3hjr s LYS 97 Ca 0.73 0.02 -0.19 0.00 -0.36 0.00 0.00 55.97 56.17 3hjr s LYS 97 Cb -0.31 -0.64 0.01 0.00 -1.51 0.00 0.00 37.83 35.38 3hjr s LYS 97 CO 0.51 -0.13 0.57 1.21 -0.36 0.00 0.00 175.35 177.15 3hjr s ASN 98 N 1.08 6.31 0.00 1.43 3.84 0.08 -3.56 114.94 124.12 3hjr s ASN 98 Ca -0.09 -0.26 0.28 0.00 0.21 0.00 0.00 52.86 53.00 3hjr s ASN 98 Cb -0.14 -2.29 1.08 0.00 -0.55 0.00 0.00 41.25 39.36 3hjr s ASN 98 CO -0.01 -0.64 1.78 1.33 -2.79 0.00 0.00 177.10 176.77 3hjr n VAL 99 N 5.63 0.00 0.03 -5.21 0.24 -1.26 -1.22 118.33 116.54 3hjr n VAL 99 Ca -0.03 -0.04 -0.18 0.00 -2.04 0.00 0.00 64.34 62.04 3hjr n VAL 99 Cb 0.48 -0.10 -0.14 0.00 -1.47 0.00 0.00 33.84 32.61 3hjr n VAL 99 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3hjr h VAL 100 N 0.36 0.88 0.00 3.34 2.07 -1.90 -3.42 116.25 117.58 3hjr h VAL 100 Ca 0.00 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.95 3hjr h VAL 100 Cb 0.42 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 3hjr h VAL 100 CO 0.00 0.81 -0.96 0.35 0.02 0.00 0.00 177.57 177.78 3hjr n THR 101 N -3.43 0.00 -0.29 2.57 -2.24 -1.22 -5.00 114.28 104.67 3hjr n THR 101 Ca -0.23 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3hjr n THR 101 Cb 1.05 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 3hjr n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hjr n GLY 102 N 1.49 1.78 3.95 3.38 0.00 -0.36 -5.05 105.19 110.38 3hjr n GLY 102 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3hjr n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hjr s SER 103 N -3.34 3.25 -0.01 1.61 1.04 -1.22 -4.78 113.70 110.25 3hjr s SER 103 Ca 0.00 0.11 0.09 0.00 0.48 0.00 0.00 55.95 56.63 3hjr s SER 103 Cb 0.00 -0.18 0.28 0.00 0.10 0.00 0.00 66.02 66.22 3hjr s SER 103 CO 0.00 -2.63 1.22 -0.90 0.98 0.00 0.00 173.24 171.90 3hjr n ASP 104 N -3.63 1.77 -3.91 7.02 5.68 -1.26 -0.74 116.55 121.47 3hjr n ASP 104 Ca 0.16 -2.03 -0.31 0.00 -0.50 0.00 0.00 54.79 52.11 3hjr n ASP 104 Cb 0.60 -0.24 -0.15 0.00 -1.14 0.00 0.00 41.12 40.19 3hjr n ASP 104 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3hjr s ASP 105 N -0.95 4.48 -0.01 -1.12 -1.08 -1.26 -4.45 116.67 112.27 3hjr s ASP 105 Ca 0.21 -2.03 0.01 0.00 -0.52 0.00 0.00 52.55 50.21 3hjr s ASP 105 Cb 0.11 -1.36 0.04 0.00 -1.46 0.00 0.00 42.92 40.26 3hjr s ASP 105 CO 0.14 -0.38 0.59 -0.81 0.52 0.00 0.00 175.17 175.23 3hjr n PRO 106 N 4.38 1.20 -2.15 4.34 -0.04 -1.26 -4.59 135.00 136.88 3hjr n PRO 106 Ca 0.02 -0.17 -0.42 0.00 -0.04 0.00 0.00 63.50 62.90 3hjr n PRO 106 Cb 0.41 -1.52 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 3hjr n PRO 106 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3hjr s THR 107 N -1.05 3.27 0.57 0.52 2.01 -1.07 -1.17 115.64 118.72 3hjr s THR 107 Ca 0.03 0.89 -0.17 0.00 0.31 0.00 0.00 61.69 62.75 3hjr s THR 107 Cb 0.02 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 3hjr s THR 107 CO 0.01 0.06 1.06 -2.16 -0.69 0.00 0.00 174.62 172.90 3hjr s PRO 108 N 1.25 3.39 0.00 4.92 0.04 -1.26 -4.91 135.00 138.43 3hjr s PRO 108 Ca 0.65 1.30 0.13 0.00 0.04 0.00 0.00 61.00 63.12 3hjr s PRO 108 Cb -0.37 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.05 3hjr s PRO 108 CO 0.30 -0.76 0.62 0.25 0.04 0.00 0.00 177.00 177.45 3hjr n THR 109 N -1.74 0.00 -3.26 1.26 -2.24 -1.26 -4.98 114.28 102.06 3hjr n THR 109 Ca 0.09 -0.27 -0.38 0.00 -2.27 0.00 0.00 64.05 61.22 3hjr n THR 109 Cb 0.52 1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 69.76 3hjr n THR 109 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hjr s ASP 110 N -1.97 6.72 0.47 3.42 2.15 -1.26 -5.00 116.67 121.20 3hjr s ASP 110 Ca 0.07 0.86 0.13 0.00 0.43 0.00 0.00 52.55 54.05 3hjr s ASP 110 Cb 0.10 -2.31 1.08 0.00 -0.30 0.00 0.00 42.92 41.49 3hjr s ASP 110 CO 0.44 -0.04 2.08 -0.65 -0.17 0.00 0.00 175.17 176.83 3hjr h PRO 111 N 6.82 0.15 -0.00 4.34 0.11 -1.93 -2.43 132.00 139.06 3hjr h PRO 111 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3hjr h PRO 111 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hjr h PRO 111 CO 0.75 0.16 -0.03 -0.25 -0.21 0.00 0.00 178.00 178.42 3hjr n ASP 112 N -4.46 0.06 -3.64 -2.05 8.00 -1.26 -0.70 116.55 112.49 3hjr n ASP 112 Ca -0.01 0.15 -0.41 0.00 0.71 0.00 0.00 54.79 55.22 3hjr n ASP 112 Cb 0.13 -0.35 -0.00 0.00 -0.02 0.00 0.00 41.12 40.87 3hjr n ASP 112 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3hjr n THR 113 N -1.38 4.67 0.09 -3.53 -1.04 -0.92 -4.54 114.28 107.63 3hjr n THR 113 Ca 0.10 -4.11 0.05 0.00 -2.04 0.00 0.00 64.05 58.05 3hjr n THR 113 Cb 0.30 -2.28 0.09 0.00 -1.82 0.00 0.00 70.33 66.62 3hjr n THR 113 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hjr n ALA 114 N 3.07 2.30 0.05 2.41 0.00 -1.26 -4.73 120.51 122.35 3hjr n ALA 114 Ca 0.54 -0.88 -0.13 0.00 0.00 0.00 0.00 53.44 52.97 3hjr n ALA 114 Cb 0.30 -0.34 -0.09 0.00 0.00 0.00 0.00 19.45 19.33 3hjr n ALA 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hjr h HIS 115 N 1.73 -0.13 -0.05 0.00 2.76 -1.92 -1.83 115.15 115.72 3hjr h HIS 115 Ca 0.00 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 3hjr h HIS 115 Cb 0.56 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 3hjr h HIS 115 CO 0.11 0.23 -0.34 0.78 -1.30 0.00 0.00 177.93 177.41 3hjr h GLY 116 N -0.51 0.09 1.13 5.26 0.00 -1.85 0.52 103.07 107.71 3hjr h GLY 116 Ca -0.01 -0.08 -0.18 0.00 0.00 0.00 0.00 47.33 47.05 3hjr h GLY 116 CO 0.02 0.07 -0.55 -0.84 0.00 0.00 0.00 176.54 175.25 3hjr h THR 117 N 0.08 1.28 -0.45 4.70 2.02 -1.58 -0.78 112.91 118.17 3hjr h THR 117 Ca 0.01 -1.73 -0.03 0.00 0.77 0.00 0.00 66.41 65.43 3hjr h THR 117 Cb 0.64 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 3hjr h THR 117 CO 0.05 0.56 0.18 0.28 0.37 0.00 0.00 175.52 176.96 3hjr h SER 118 N 0.64 0.62 -0.54 4.18 0.02 -0.91 -2.43 113.55 115.14 3hjr h SER 118 Ca 0.01 -0.17 0.08 0.00 -0.84 0.00 0.00 61.79 60.87 3hjr h SER 118 Cb 1.16 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.47 3hjr h SER 118 CO 0.12 0.62 0.18 0.58 -1.14 0.00 0.00 176.83 177.20 3hjr h VAL 119 N 0.58 0.80 -0.46 2.27 2.07 -0.87 -3.03 116.25 117.61 3hjr h VAL 119 Ca 0.15 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 3hjr h VAL 119 Cb 0.20 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3hjr h VAL 119 CO -0.01 0.07 -0.00 0.28 0.02 0.00 0.00 177.57 177.92 3hjr h SER 120 N 0.36 0.73 -0.32 0.57 0.02 -0.77 -2.55 113.55 111.59 3hjr h SER 120 Ca 0.26 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 3hjr h SER 120 Cb 0.31 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3hjr h SER 120 CO -0.28 0.80 -0.02 1.23 -1.14 0.00 0.00 176.83 177.42 3hjr h GLY 121 N 0.96 0.74 1.01 -3.77 0.00 -1.35 0.43 103.07 101.09 3hjr h GLY 121 Ca 0.14 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 3hjr h GLY 121 CO 0.02 0.45 0.34 -2.22 0.00 0.00 0.00 176.54 175.14 3hjr h ILE 122 N 0.65 1.22 0.08 2.60 2.04 -1.35 -1.83 117.51 120.93 3hjr h ILE 122 Ca 0.13 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 3hjr h ILE 122 Cb 0.44 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3hjr h ILE 122 CO 0.02 0.26 -0.04 0.40 0.00 0.00 0.00 178.15 178.79 3hjr h ILE 123 N 0.95 1.18 -0.08 -0.67 2.04 -1.27 -1.49 117.51 118.17 3hjr h ILE 123 Ca 0.24 -1.16 -0.18 0.00 1.00 0.00 0.00 64.86 64.76 3hjr h ILE 123 Cb 0.10 1.90 -0.29 0.00 -0.74 0.00 0.00 36.82 37.79 3hjr h ILE 123 CO -0.03 0.28 -0.76 0.00 0.00 0.00 0.00 178.15 177.63 3hjr n ALA 124 N -2.44 2.85 -1.67 1.87 0.00 0.11 0.06 120.51 121.29 3hjr n ALA 124 Ca -0.08 -1.81 -0.43 0.00 0.00 0.00 0.00 53.44 51.12 3hjr n ALA 124 Cb 0.27 -0.66 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 3hjr n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hjr n ALA 125 N -0.06 0.89 -1.77 0.00 0.00 -0.69 -4.72 120.51 114.15 3hjr n ALA 125 Ca -0.06 0.36 -0.39 0.00 0.00 0.00 0.00 53.44 53.35 3hjr n ALA 125 Cb 0.93 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 3hjr n ALA 125 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hjr s VAL 126 N -1.10 3.13 -0.57 0.00 1.01 -0.06 -0.78 120.40 122.03 3hjr s VAL 126 Ca 0.57 1.00 -0.23 0.00 0.00 0.00 0.00 61.98 63.32 3hjr s VAL 126 Cb -0.60 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.25 3hjr s VAL 126 CO 0.61 0.14 0.89 -0.62 0.00 0.00 0.00 175.10 176.12 3hjr s ASP 127 N -0.99 6.28 0.00 3.32 2.15 -1.26 -4.61 116.67 121.56 3hjr s ASP 127 Ca 0.54 -0.60 0.00 0.00 0.43 0.00 0.00 52.55 52.92 3hjr s ASP 127 Cb -0.32 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 3hjr s ASP 127 CO 0.41 -1.22 0.00 -0.46 -0.17 0.00 0.00 175.17 173.74 3hjr n ASN 128 N 7.29 0.66 -1.02 -0.34 0.23 -1.26 -5.04 115.26 115.78 3hjr n ASN 128 Ca -0.01 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.06 3hjr n ASN 128 Cb 0.47 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.39 3hjr n ASN 128 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hjr n ALA 129 N -3.00 3.66 -2.48 -2.53 0.00 -1.26 -2.82 120.51 112.08 3hjr n ALA 129 Ca 0.00 -2.73 -0.12 0.00 0.00 0.00 0.00 53.44 50.59 3hjr n ALA 129 Cb 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 3hjr n ALA 129 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3hjr s ILE 130 N -3.04 0.66 0.00 0.00 -4.36 -1.26 -4.61 121.20 108.58 3hjr s ILE 130 Ca 0.43 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 59.27 3hjr s ILE 130 Cb 0.37 -1.21 0.00 0.00 1.25 0.00 0.00 42.46 42.87 3hjr s ILE 130 CO 0.04 -0.64 0.00 0.61 0.24 0.00 0.00 174.94 175.19 3hjr n GLY 131 N 0.63 3.04 3.99 6.27 0.00 -1.26 -4.48 105.19 113.38 3hjr n GLY 131 Ca -0.17 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 3hjr n GLY 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hjr s THR 132 N 0.00 1.82 -0.13 2.61 -4.23 -1.26 -1.66 115.64 112.79 3hjr s THR 132 Ca 0.00 -1.19 0.03 0.00 -1.18 0.00 0.00 61.69 59.35 3hjr s THR 132 Cb 0.00 -2.00 0.01 0.00 1.34 0.00 0.00 72.50 71.85 3hjr s THR 132 CO 0.00 0.00 -0.21 -0.75 -0.54 0.00 0.00 174.62 173.12 3hjr s LYS 133 N -4.57 2.89 0.77 3.99 2.20 -1.26 -4.46 119.74 119.30 3hjr s LYS 133 Ca 0.51 -0.81 -0.11 0.00 -0.36 0.00 0.00 55.97 55.21 3hjr s LYS 133 Cb -0.04 -2.32 0.06 0.00 -1.51 0.00 0.00 37.83 34.02 3hjr s LYS 133 CO 0.33 0.01 1.09 0.20 -0.36 0.00 0.00 175.35 176.62 3hjr s GLY 134 N 0.75 1.67 0.17 5.54 0.00 0.04 -4.79 107.32 110.72 3hjr s GLY 134 Ca -0.09 0.26 -0.14 0.00 0.00 0.00 0.00 44.72 44.75 3hjr s GLY 134 CO 0.00 0.61 1.82 -2.22 0.00 0.00 0.00 173.10 173.31 3hjr h ILE 135 N -1.13 1.16 -2.57 0.90 2.04 -0.82 -3.30 117.51 113.79 3hjr h ILE 135 Ca -0.44 -0.32 -0.60 0.00 1.00 0.00 0.00 64.86 64.50 3hjr h ILE 135 Cb 1.23 0.38 -0.41 0.00 -0.74 0.00 0.00 36.82 37.28 3hjr h ILE 135 CO 0.51 0.16 -0.65 0.00 0.00 0.00 0.00 178.15 178.17 3hjr n ALA 136 N -2.26 3.59 0.77 1.87 0.00 0.11 -4.90 120.51 119.68 3hjr n ALA 136 Ca 0.03 -4.45 0.07 0.00 0.00 0.00 0.00 53.44 49.10 3hjr n ALA 136 Cb 0.04 -0.94 0.40 0.00 0.00 0.00 0.00 19.45 18.95 3hjr n ALA 136 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hjr n PRO 137 N 1.50 0.28 -0.04 0.00 -0.04 -0.94 -1.73 135.00 134.03 3hjr n PRO 137 Ca 0.25 0.11 0.05 0.00 -0.04 0.00 0.00 63.50 63.87 3hjr n PRO 137 Cb 0.40 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.43 3hjr n PRO 137 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hjr n ARG 138 N -1.21 1.06 -1.64 0.54 1.74 -0.09 -4.30 116.66 112.75 3hjr n ARG 138 Ca 0.08 -1.34 -0.35 0.00 -0.77 0.00 0.00 57.85 55.48 3hjr n ARG 138 Cb 0.10 -1.20 0.07 0.00 -1.02 0.00 0.00 32.46 30.41 3hjr n ARG 138 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hjr s ALA 139 N -0.88 2.29 -0.10 7.54 0.00 -0.71 -3.94 121.76 125.96 3hjr s ALA 139 Ca 0.14 0.87 -0.00 0.00 0.00 0.00 0.00 51.96 52.97 3hjr s ALA 139 Cb 0.09 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3hjr s ALA 139 CO 0.13 -1.59 -0.08 -0.65 0.00 0.00 0.00 175.76 173.58 3hjr s GLN 140 N -3.78 3.11 0.04 0.00 -1.52 -0.54 -4.78 119.66 112.19 3hjr s GLN 140 Ca 0.74 -0.58 0.03 0.00 -1.95 0.00 0.00 55.36 53.61 3hjr s GLN 140 Cb -0.28 -2.67 -0.04 0.00 -0.22 0.00 0.00 33.01 29.80 3hjr s GLN 140 CO 0.41 0.46 -0.01 -0.51 -0.25 0.00 0.00 175.29 175.39 3hjr s LEU 141 N -0.27 3.42 0.08 2.90 1.43 0.72 -0.51 118.68 126.46 3hjr s LEU 141 Ca 0.03 -0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.10 3hjr s LEU 141 Cb -0.13 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 3hjr s LEU 141 CO 0.03 0.23 -0.20 -1.10 0.23 0.00 0.00 176.35 175.54 3hjr s GLN 142 N -1.86 1.16 0.02 1.70 -0.21 -0.88 -1.69 119.66 117.89 3hjr s GLN 142 Ca 0.22 -1.08 0.08 0.00 0.02 0.00 0.00 55.36 54.59 3hjr s GLN 142 Cb -0.11 -1.37 -0.03 0.00 1.00 0.00 0.00 33.01 32.50 3hjr s GLN 142 CO 0.13 0.33 -0.23 0.20 -2.12 0.00 0.00 175.29 173.60 3hjr s GLY 143 N -1.70 1.43 -0.15 3.09 0.00 -1.26 -0.93 107.32 107.80 3hjr s GLY 143 Ca 0.06 -1.18 -0.02 0.00 0.00 0.00 0.00 44.72 43.58 3hjr s GLY 143 CO 0.03 -1.04 -0.00 -1.36 0.00 0.00 0.00 173.10 170.73 3hjr s PHE 144 N -0.78 1.11 -0.33 1.90 0.08 -0.74 -2.42 117.98 116.80 3hjr s PHE 144 Ca 0.12 -0.70 -0.04 0.00 0.12 0.00 0.00 56.93 56.43 3hjr s PHE 144 Cb -0.10 -1.04 0.02 0.00 -0.57 0.00 0.00 43.02 41.33 3hjr s PHE 144 CO 0.02 -0.52 2.80 0.27 -0.10 0.00 0.00 175.22 177.68 3hjr n ASN 145 N 5.03 6.20 -0.07 1.36 2.04 -1.23 -1.43 115.26 127.16 3hjr n ASN 145 Ca -0.09 -3.02 0.22 0.00 -0.44 0.00 0.00 54.58 51.25 3hjr n ASN 145 Cb 0.48 -1.24 0.69 0.00 -2.53 0.00 0.00 39.78 37.18 3hjr n ASN 145 CO 0.00 0.00 0.00 -0.07 -0.44 0.00 0.00 177.26 176.75 3hjr h LEU 146 N 3.88 0.03 -3.03 -4.53 -0.00 -1.69 -2.36 115.31 107.60 3hjr h LEU 146 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.21 3hjr h LEU 146 Cb 0.91 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.57 3hjr h LEU 146 CO 0.71 0.01 0.00 0.18 -0.00 0.00 0.00 178.44 179.34 3hjr n LEU 147 N -4.35 4.44 -4.64 1.67 4.77 -0.26 -4.38 117.00 114.25 3hjr n LEU 147 Ca 0.13 -2.33 -0.41 0.00 -0.03 0.00 0.00 56.01 53.37 3hjr n LEU 147 Cb 0.71 -0.54 0.02 0.00 -2.33 0.00 0.00 43.42 41.28 3hjr n LEU 147 CO 0.37 0.85 0.67 -0.67 -1.33 0.00 0.00 177.39 177.28 3hjr n ASP 148 N 1.18 1.57 -0.03 -1.43 2.03 -0.89 -4.61 116.55 114.37 3hjr n ASP 148 Ca 0.25 1.02 0.22 0.00 0.52 0.00 0.00 54.79 56.79 3hjr n ASP 148 Cb 0.80 -1.40 0.70 0.00 -0.72 0.00 0.00 41.12 40.49 3hjr n ASP 148 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3hjr h ASP 149 N 1.52 0.00 -0.48 1.67 5.19 -1.92 -1.07 116.42 121.33 3hjr h ASP 149 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 3hjr h ASP 149 Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 3hjr h ASP 149 CO 0.57 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 177.28 3hjr n ASN 150 N -4.35 3.40 -4.76 6.45 5.03 -1.26 -4.94 115.26 114.84 3hjr n ASN 150 Ca 0.11 -1.98 -0.40 0.00 0.87 0.00 0.00 54.58 53.18 3hjr n ASN 150 Cb 0.67 -0.31 -0.04 0.00 -1.02 0.00 0.00 39.78 39.08 3hjr n ASN 150 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3hjr s SER 151 N -1.32 7.14 0.00 6.41 0.15 -0.41 -4.89 113.70 120.78 3hjr s SER 151 Ca 0.41 2.33 0.29 0.00 0.70 0.00 0.00 55.95 59.68 3hjr s SER 151 Cb 0.23 -2.63 1.26 0.00 -1.71 0.00 0.00 66.02 63.17 3hjr s SER 151 CO 0.31 -0.24 1.91 0.00 1.20 0.00 0.00 173.24 176.42 3hjr n GLN 152 N 1.03 0.32 -3.75 5.44 6.02 -1.26 -4.94 117.38 120.24 3hjr n GLN 152 Ca -0.01 -0.06 -0.23 0.00 -0.01 0.00 0.00 57.00 56.70 3hjr n GLN 152 Cb 0.45 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.23 3hjr n GLN 152 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3hjr n GLN 153 N -1.29 -4.79 -2.42 -1.09 6.02 -1.26 -4.91 117.38 107.63 3hjr n GLN 153 Ca 0.11 0.59 -0.38 0.00 -0.01 0.00 0.00 57.00 57.31 3hjr n GLN 153 Cb 0.29 -5.14 -0.03 0.00 1.02 0.00 0.00 30.24 26.38 3hjr n GLN 153 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hjr s LEU 154 N -6.77 4.25 0.23 1.08 1.43 -1.26 -4.89 118.68 112.74 3hjr s LEU 154 Ca 0.07 2.22 -0.06 0.00 -1.03 0.00 0.00 54.13 55.33 3hjr s LEU 154 Cb -0.04 -3.99 0.36 0.00 0.03 0.00 0.00 46.19 42.55 3hjr s LEU 154 CO 0.82 -0.49 1.77 -0.61 0.23 0.00 0.00 176.35 178.07 3hjr h GLN 155 N 2.84 0.54 -0.73 1.70 5.75 -2.00 -0.62 115.11 122.59 3hjr h GLN 155 Ca -0.48 -0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.08 3hjr h GLN 155 Cb 1.22 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 29.60 3hjr h GLN 155 CO 0.63 0.36 0.48 1.57 -2.65 0.00 0.00 178.83 179.22 3hjr h LYS 156 N 0.56 0.61 0.13 1.69 2.10 -2.00 -0.92 116.57 118.75 3hjr h LYS 156 Ca 0.36 -0.04 -0.28 0.00 -2.00 0.00 0.00 60.65 58.69 3hjr h LYS 156 Cb 0.43 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 3hjr h LYS 156 CO -0.30 0.40 -1.32 -0.44 -2.00 0.00 0.00 179.45 175.80 3hjr h ASP 157 N 0.63 0.44 -0.31 7.07 3.32 -1.54 -1.57 116.42 124.46 3hjr h ASP 157 Ca 0.34 -0.50 0.01 0.00 0.02 0.00 0.00 57.03 56.91 3hjr h ASP 157 Cb 0.48 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3hjr h ASP 157 CO -0.12 1.39 0.18 -0.50 -1.72 0.00 0.00 179.24 178.47 3hjr h TRP 158 N 0.08 0.33 -0.43 4.55 4.06 -0.76 -1.39 115.95 122.39 3hjr h TRP 158 Ca -0.16 0.01 0.05 0.00 2.06 0.00 0.00 58.89 60.85 3hjr h TRP 158 Cb 1.99 -0.10 -0.05 0.00 -1.00 0.00 0.00 29.16 30.00 3hjr h TRP 158 CO 0.07 0.19 0.16 -0.07 -3.56 0.00 0.00 178.44 175.23 3hjr h LEU 159 N 0.36 0.18 -0.72 -4.49 3.38 -1.17 -1.41 115.31 111.44 3hjr h LEU 159 Ca 0.12 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.19 3hjr h LEU 159 Cb 0.01 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3hjr h LEU 159 CO -0.06 0.14 0.43 0.22 0.09 0.00 0.00 178.44 179.26 3hjr h TYR 160 N 0.33 0.80 0.00 1.13 5.03 -0.97 -1.17 116.97 122.13 3hjr h TYR 160 Ca 0.20 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.41 3hjr h TYR 160 Cb 0.17 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 38.18 3hjr h TYR 160 CO -0.14 0.42 -0.59 0.00 -1.32 0.00 0.00 178.16 176.53 3hjr h ALA 161 N 1.34 0.65 -0.48 1.82 0.00 -0.94 -3.32 119.26 118.33 3hjr h ALA 161 Ca 0.31 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hjr h ALA 161 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hjr h ALA 161 CO -0.15 0.73 0.00 1.28 0.00 0.00 0.00 179.25 181.12 3hjr n LEU 162 N -3.29 5.11 0.00 0.00 4.77 -0.56 -4.91 117.00 118.12 3hjr n LEU 162 Ca 0.01 -2.93 0.00 0.00 -0.03 0.00 0.00 56.01 53.06 3hjr n LEU 162 Cb 0.75 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3hjr n LEU 162 CO 0.41 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 3hjr n GLY 163 N 0.30 1.09 1.92 -0.72 0.00 -1.14 -4.87 105.19 101.77 3hjr n GLY 163 Ca 0.26 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.30 3hjr n GLY 163 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hjr n ASP 164 N 0.00 5.44 -4.20 1.61 2.03 -0.47 -3.73 116.55 117.23 3hjr n ASP 164 Ca 0.00 -3.04 -0.12 0.00 0.52 0.00 0.00 54.79 52.15 3hjr n ASP 164 Cb 0.00 -0.71 -0.10 0.00 -0.72 0.00 0.00 41.12 39.59 3hjr n ASP 164 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3hjr s SER 165 N -0.89 1.43 0.29 1.67 1.04 -1.26 -4.75 113.70 111.23 3hjr s SER 165 Ca 0.55 -0.99 0.02 0.00 0.48 0.00 0.00 55.95 56.01 3hjr s SER 165 Cb 0.43 0.04 0.70 0.00 0.10 0.00 0.00 66.02 67.29 3hjr s SER 165 CO 0.15 -0.39 1.65 0.78 0.98 0.00 0.00 173.24 176.41 3hjr h ASN 166 N 2.96 -0.01 -0.61 7.02 -0.26 -1.93 -1.25 115.58 121.50 3hjr h ASN 166 Ca -0.36 0.20 -0.06 0.00 -0.56 0.00 0.00 56.30 55.52 3hjr h ASN 166 Cb 1.18 0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 38.68 3hjr h ASN 166 CO 0.63 -0.16 0.14 0.00 -1.06 0.00 0.00 177.43 176.99 3hjr h ALA 167 N 1.78 0.80 -0.00 -0.83 0.00 -1.91 -3.27 119.26 115.83 3hjr h ALA 167 Ca 0.55 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3hjr h ALA 167 Cb 1.10 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3hjr h ALA 167 CO -0.66 0.51 -0.86 -1.13 0.00 0.00 0.00 179.25 177.12 3hjr n SER 168 N -4.34 0.87 -0.17 0.00 3.41 -0.96 -4.53 113.62 107.90 3hjr n SER 168 Ca 0.03 -0.93 -0.01 0.00 -0.26 0.00 0.00 58.87 57.70 3hjr n SER 168 Cb 0.24 1.00 0.23 0.00 -0.26 0.00 0.00 64.21 65.42 3hjr n SER 168 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3hjr h ARG 169 N 0.02 0.90 -0.83 4.33 2.43 -1.29 -2.82 114.38 117.12 3hjr h ARG 169 Ca 0.00 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 3hjr h ARG 169 Cb 0.43 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 3hjr h ARG 169 CO 0.00 0.68 0.08 -0.40 -1.51 0.00 0.00 179.97 178.82 3hjr n ASP 170 N -4.36 3.50 -4.77 -3.80 5.75 -1.26 -4.84 116.55 106.77 3hjr n ASP 170 Ca 0.06 -2.58 -0.38 0.00 -0.01 0.00 0.00 54.79 51.89 3hjr n ASP 170 Cb 0.12 -0.62 -0.04 0.00 -1.03 0.00 0.00 41.12 39.55 3hjr n ASP 170 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3hjr s ASN 171 N -0.37 6.94 0.00 -1.12 0.01 -1.06 -4.68 114.94 114.66 3hjr s ASN 171 Ca 0.29 2.08 0.16 0.00 -0.71 0.00 0.00 52.86 54.68 3hjr s ASN 171 Cb 0.23 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 3hjr s ASN 171 CO 0.08 -0.36 0.82 0.54 -1.51 0.00 0.00 177.10 176.67 3hjr n ARG 172 N 0.32 1.70 -3.99 -0.60 1.74 0.14 -4.61 116.66 111.37 3hjr n ARG 172 Ca 0.03 -0.64 -0.18 0.00 -0.77 0.00 0.00 57.85 56.29 3hjr n ARG 172 Cb 0.48 -1.27 -0.16 0.00 -1.02 0.00 0.00 32.46 30.49 3hjr n ARG 172 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hjr s VAL 173 N -2.05 0.29 -0.29 1.55 1.01 -0.98 -0.27 120.40 119.66 3hjr s VAL 173 Ca 0.12 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 3hjr s VAL 173 Cb 0.13 -0.37 0.04 0.00 0.00 0.00 0.00 36.38 36.18 3hjr s VAL 173 CO 0.46 0.17 -0.01 -0.36 0.00 0.00 0.00 175.10 175.36 3hjr s PHE 174 N 1.05 3.21 -0.26 5.22 0.08 -0.11 -0.81 117.98 126.37 3hjr s PHE 174 Ca -0.09 -1.76 -0.20 0.00 0.12 0.00 0.00 56.93 55.00 3hjr s PHE 174 Cb -0.14 -2.10 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 3hjr s PHE 174 CO -0.01 -0.78 0.59 1.21 -0.10 0.00 0.00 175.22 176.13 3hjr s ASN 175 N 1.28 6.53 -0.60 1.36 3.84 0.10 -1.10 114.94 126.34 3hjr s ASN 175 Ca -0.04 0.63 0.04 0.00 0.21 0.00 0.00 52.86 53.71 3hjr s ASN 175 Cb -0.19 -2.32 0.16 0.00 -0.55 0.00 0.00 41.25 38.35 3hjr s ASN 175 CO -0.02 -0.35 0.40 -1.10 -2.79 0.00 0.00 177.10 173.25 3hjr s GLN 176 N 2.45 1.98 -1.46 0.43 -0.21 -0.46 -2.11 119.66 120.27 3hjr s GLN 176 Ca 0.24 -2.87 -0.10 0.00 0.02 0.00 0.00 55.36 52.66 3hjr s GLN 176 Cb -0.15 -2.91 0.03 0.00 1.00 0.00 0.00 33.01 30.97 3hjr s GLN 176 CO 0.09 -1.27 2.49 0.43 -2.12 0.00 0.00 175.29 174.91 3hjr n SER 177 N 2.47 6.98 -3.77 5.90 7.64 -1.26 -2.00 113.62 129.58 3hjr n SER 177 Ca 0.18 -2.86 -0.08 0.00 1.01 0.00 0.00 58.87 57.12 3hjr n SER 177 Cb 0.37 -1.52 -0.02 0.00 -1.01 0.00 0.00 64.21 62.03 3hjr n SER 177 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3hjr s TYR 178 N 1.23 -0.23 -0.10 1.43 1.13 -1.26 -4.82 117.35 114.74 3hjr s TYR 178 Ca 0.56 -0.17 -0.32 0.00 -1.41 0.00 0.00 57.07 55.73 3hjr s TYR 178 Cb 0.16 0.63 0.12 0.00 -1.10 0.00 0.00 41.96 41.77 3hjr s TYR 178 CO -0.06 -1.13 1.41 0.20 -2.51 0.00 0.00 175.55 173.46 3hjr s GLY 179 N -2.89 -0.35 -0.07 5.49 0.00 -1.26 -4.07 107.32 104.17 3hjr s GLY 179 Ca 0.09 0.52 0.01 0.00 0.00 0.00 0.00 44.72 45.35 3hjr s GLY 179 CO 0.02 4.06 -0.08 -0.29 0.00 0.00 0.00 173.10 176.82 3hjr s MET 180 N -2.00 2.72 0.01 2.90 1.75 -1.26 -5.08 119.30 118.33 3hjr s MET 180 Ca 0.25 -0.57 0.03 0.00 -1.25 0.00 0.00 55.69 54.15 3hjr s MET 180 Cb 0.04 -2.56 -0.03 0.00 2.84 0.00 0.00 34.83 35.11 3hjr s MET 180 CO -0.05 0.66 -0.05 -1.12 -0.65 0.00 0.00 175.02 173.81 3hjr s SER 181 N -0.79 4.76 0.02 1.11 0.01 -1.26 -4.30 113.70 113.26 3hjr s SER 181 Ca 0.12 -0.12 -0.00 0.00 1.31 0.00 0.00 55.95 57.26 3hjr s SER 181 Cb -0.11 -1.14 -0.02 0.00 0.21 0.00 0.00 66.02 64.96 3hjr s SER 181 CO 0.01 0.27 -0.03 0.68 0.41 0.00 0.00 173.24 174.58 3hjr s VAL 182 N -1.04 0.13 -0.31 3.43 -7.23 -1.26 -4.79 120.40 109.32 3hjr s VAL 182 Ca 0.18 -0.97 0.10 0.00 -1.81 0.00 0.00 61.98 59.48 3hjr s VAL 182 Cb -0.11 -0.35 -0.12 0.00 0.56 0.00 0.00 36.38 36.36 3hjr s VAL 182 CO 0.09 -0.53 0.35 1.33 -0.31 0.00 0.00 175.10 176.03 3hjr n VAL 183 N 1.50 0.00 -4.84 1.32 0.24 -1.26 -4.35 118.33 110.94 3hjr n VAL 183 Ca -0.23 -0.26 -0.27 0.00 -2.04 0.00 0.00 64.34 61.54 3hjr n VAL 183 Cb 0.55 0.76 -0.15 0.00 -1.47 0.00 0.00 33.84 33.53 3hjr n VAL 183 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3hjr s ASP 184 N -2.33 2.54 0.49 -1.34 1.01 -1.26 -0.67 116.67 115.10 3hjr s ASP 184 Ca 0.01 -0.47 -0.22 0.00 0.71 0.00 0.00 52.55 52.58 3hjr s ASP 184 Cb 0.07 -0.24 -0.07 0.00 1.01 0.00 0.00 42.92 43.69 3hjr s ASP 184 CO 0.41 0.21 1.19 -2.16 0.21 0.00 0.00 175.17 175.03 3hjr s PRO 185 N -0.88 3.59 0.08 8.23 0.04 -1.26 -5.04 135.00 139.76 3hjr s PRO 185 Ca 0.08 1.83 0.10 0.00 0.04 0.00 0.00 61.00 63.05 3hjr s PRO 185 Cb -0.09 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 3hjr s PRO 185 CO 0.01 -0.71 -0.25 1.03 0.04 0.00 0.00 177.00 177.11 3hjr s ARG 186 N -2.82 1.53 0.75 4.56 1.81 -1.26 -4.91 118.95 118.61 3hjr s ARG 186 Ca 0.66 -1.19 -0.11 0.00 -1.72 0.00 0.00 55.73 53.37 3hjr s ARG 186 Cb -0.30 -1.84 0.04 0.00 -0.45 0.00 0.00 34.95 32.41 3hjr s ARG 186 CO 0.36 0.45 1.09 0.45 -0.68 0.00 0.00 175.30 176.97 3hjr s SER 187 N -1.62 4.93 -0.02 0.23 0.15 -1.26 -4.43 113.70 111.68 3hjr s SER 187 Ca 0.12 1.31 0.14 0.00 0.70 0.00 0.00 55.95 58.22 3hjr s SER 187 Cb -0.10 -2.10 0.41 0.00 -1.71 0.00 0.00 66.02 62.52 3hjr s SER 187 CO 0.04 -1.69 1.34 0.00 1.20 0.00 0.00 173.24 174.13 3hjr n ALA 188 N -3.25 2.34 -0.37 5.45 0.00 -1.25 -4.65 120.51 118.78 3hjr n ALA 188 Ca 0.07 -1.31 0.11 0.00 0.00 0.00 0.00 53.44 52.31 3hjr n ALA 188 Cb 0.56 -0.58 0.33 0.00 0.00 0.00 0.00 19.45 19.76 3hjr n ALA 188 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hjr n ASN 189 N 0.64 4.06 -4.72 0.00 3.02 -1.26 -4.24 115.26 112.77 3hjr n ASN 189 Ca 0.16 -2.08 -0.33 0.00 -0.03 0.00 0.00 54.58 52.29 3hjr n ASN 189 Cb 0.53 -0.51 0.10 0.00 -0.61 0.00 0.00 39.78 39.30 3hjr n ASN 189 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3hjr s SER 190 N -0.98 4.05 0.20 6.41 1.04 -1.26 -4.77 113.70 118.38 3hjr s SER 190 Ca 0.49 2.23 -0.11 0.00 0.48 0.00 0.00 55.95 59.05 3hjr s SER 190 Cb 0.27 -2.57 0.23 0.00 0.10 0.00 0.00 66.02 64.05 3hjr s SER 190 CO 0.32 -2.35 1.75 -0.07 0.98 0.00 0.00 173.24 173.86 3hjr h LEU 191 N -0.67 0.22 -0.53 2.42 3.38 -1.99 -0.96 115.31 117.18 3hjr h LEU 191 Ca -0.46 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 3hjr h LEU 191 Cb 1.28 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 3hjr h LEU 191 CO 0.49 0.14 0.06 0.44 0.09 0.00 0.00 178.44 179.66 3hjr h ASP 192 N 0.40 0.86 -0.35 -0.43 3.32 -1.97 -1.18 116.42 117.07 3hjr h ASP 192 Ca 0.28 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 3hjr h ASP 192 Cb 0.32 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3hjr h ASP 192 CO -0.28 0.92 -0.04 1.56 -1.72 0.00 0.00 179.24 179.68 3hjr h GLN 193 N 0.77 0.65 -0.15 3.56 4.20 -1.78 -1.78 115.11 120.58 3hjr h GLN 193 Ca 0.16 -0.23 -0.14 0.00 0.06 0.00 0.00 58.65 58.50 3hjr h GLN 193 Cb 0.44 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3hjr h GLN 193 CO 0.02 0.79 -0.48 0.66 -0.67 0.00 0.00 178.83 179.14 3hjr h SER 194 N 0.45 0.43 -0.26 1.46 4.64 -1.10 -0.77 113.55 118.41 3hjr h SER 194 Ca 0.10 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 3hjr h SER 194 Cb 0.52 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3hjr h SER 194 CO 0.03 0.85 0.13 -0.61 -0.87 0.00 0.00 176.83 176.36 3hjr h GLN 195 N 0.32 0.37 -0.76 4.77 4.15 -1.10 -0.27 115.11 122.59 3hjr h GLN 195 Ca 0.02 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 3hjr h GLN 195 Cb 0.97 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.56 3hjr h GLN 195 CO 0.08 0.35 0.37 -0.07 -1.93 0.00 0.00 178.83 177.63 3hjr h LEU 196 N 0.30 0.98 -1.04 -2.39 3.38 -0.98 -2.13 115.31 113.43 3hjr h LEU 196 Ca 0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3hjr h LEU 196 Cb 0.09 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3hjr h LEU 196 CO -0.01 0.82 0.37 0.44 0.09 0.00 0.00 178.44 180.15 3hjr h ASP 197 N 1.08 0.95 -0.59 -0.43 3.45 -0.79 0.16 116.42 120.25 3hjr h ASP 197 Ca 0.26 -0.10 -0.08 0.00 0.43 0.00 0.00 57.03 57.54 3hjr h ASP 197 Cb 0.10 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.60 3hjr h ASP 197 CO -0.04 0.79 0.05 0.03 -1.57 0.00 0.00 179.24 178.50 3hjr h ARG 198 N 1.05 1.03 -0.21 3.56 3.08 -0.79 -1.07 114.38 121.03 3hjr h ARG 198 Ca 0.26 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3hjr h ARG 198 Cb 0.08 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3hjr h ARG 198 CO -0.04 0.98 0.05 1.25 -1.07 0.00 0.00 179.97 181.14 3hjr h LEU 199 N 0.95 0.33 -1.39 3.04 5.85 -0.87 -1.76 115.31 121.48 3hjr h LEU 199 Ca 0.18 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3hjr h LEU 199 Cb 0.49 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3hjr h LEU 199 CO 0.02 0.48 0.05 -0.26 -0.34 0.00 0.00 178.44 178.40 3hjr h PHE 200 N 0.16 0.47 -0.03 1.25 0.05 -0.75 -0.94 116.94 117.15 3hjr h PHE 200 Ca 0.07 -0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.82 3hjr h PHE 200 Cb 0.29 -0.14 -0.00 0.00 2.00 0.00 0.00 35.95 38.09 3hjr h PHE 200 CO 0.01 0.43 -0.00 1.49 -0.18 0.00 0.00 178.31 180.06 3hjr h GLU 201 N 0.45 0.05 -0.31 1.51 4.81 -1.03 -0.13 114.58 119.93 3hjr h GLU 201 Ca 0.11 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3hjr h GLU 201 Cb 0.22 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 3hjr h GLU 201 CO -0.00 0.38 0.13 0.37 -0.73 0.00 0.00 179.01 179.17 3hjr h GLN 202 N -0.29 0.28 -0.03 1.92 4.15 -0.98 -2.35 115.11 117.80 3hjr h GLN 202 Ca 0.01 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.28 3hjr h GLN 202 Cb 0.36 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 3hjr h GLN 202 CO 0.00 0.18 -0.57 1.96 -1.93 0.00 0.00 178.83 178.48 3hjr h GLN 203 N 0.29 0.10 -0.16 1.69 1.08 -1.09 -2.78 115.11 114.24 3hjr h GLN 203 Ca 0.14 -0.07 -0.14 0.00 -1.45 0.00 0.00 58.65 57.13 3hjr h GLN 203 Cb 0.08 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3hjr h GLN 203 CO -0.12 0.64 -0.45 1.15 -0.95 0.00 0.00 178.83 179.10 3hjr h THR 204 N 0.08 1.34 0.00 -0.54 2.02 -0.81 -0.70 112.91 114.30 3hjr h THR 204 Ca -0.00 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.46 3hjr h THR 204 Cb 1.02 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 3hjr h THR 204 CO 0.08 0.53 -0.85 0.18 0.37 0.00 0.00 175.52 175.82 3hjr n LEU 205 N -4.23 0.65 -4.60 2.58 4.77 -0.90 -3.94 117.00 111.33 3hjr n LEU 205 Ca -0.07 0.11 -0.30 0.00 -0.03 0.00 0.00 56.01 55.72 3hjr n LEU 205 Cb 0.57 -0.13 0.20 0.00 -2.33 0.00 0.00 43.42 41.72 3hjr n LEU 205 CO 0.46 -0.01 0.61 -1.59 -1.33 0.00 0.00 177.39 175.53 3hjr s LYS 206 N -3.19 0.25 0.24 3.23 -2.85 -1.05 -4.91 119.74 111.45 3hjr s LYS 206 Ca 0.05 1.24 -0.06 0.00 -1.00 0.00 0.00 55.97 56.20 3hjr s LYS 206 Cb 0.14 -1.66 0.42 0.00 -2.06 0.00 0.00 37.83 34.66 3hjr s LYS 206 CO 0.76 -3.06 1.72 0.00 0.10 0.00 0.00 175.35 174.88 3hjr h ALA 207 N -2.16 0.98 -0.36 0.59 0.00 -1.92 -2.22 119.26 114.17 3hjr h ALA 207 Ca -0.51 0.12 -0.32 0.00 0.00 0.00 0.00 54.91 54.20 3hjr h ALA 207 Cb 1.29 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 19.07 3hjr h ALA 207 CO 0.45 -0.23 0.22 0.94 0.00 0.00 0.00 179.25 180.64 3hjr n GLN 208 N -5.03 1.94 -1.82 0.00 7.27 -1.26 -4.89 117.38 113.60 3hjr n GLN 208 Ca 0.13 -1.54 -0.39 0.00 0.07 0.00 0.00 57.00 55.26 3hjr n GLN 208 Cb 0.39 -1.78 0.02 0.00 2.41 0.00 0.00 30.24 31.28 3hjr n GLN 208 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3hjr s GLY 209 N 0.77 2.91 -0.13 1.69 0.00 -0.84 -4.80 107.32 106.92 3hjr s GLY 209 Ca 0.43 1.39 -0.05 0.00 0.00 0.00 0.00 44.72 46.49 3hjr s GLY 209 CO -0.08 1.97 0.07 0.00 0.00 0.00 0.00 173.10 175.06 3hjr s ALA 210 N -1.25 3.53 -0.33 3.20 0.00 -0.27 -4.79 121.76 121.85 3hjr s ALA 210 Ca 0.64 -0.73 -0.18 0.00 0.00 0.00 0.00 51.96 51.70 3hjr s ALA 210 Cb -0.42 -1.78 -0.01 0.00 0.00 0.00 0.00 23.12 20.91 3hjr s ALA 210 CO 0.52 0.48 0.50 0.00 0.00 0.00 0.00 175.76 177.26 3hjr s ALA 211 N -0.57 3.50 -0.09 0.00 0.00 0.63 -4.00 121.76 121.23 3hjr s ALA 211 Ca 0.11 -0.96 -0.27 0.00 0.00 0.00 0.00 51.96 50.84 3hjr s ALA 211 Cb -0.12 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 3hjr s ALA 211 CO 0.02 -1.11 0.89 0.71 0.00 0.00 0.00 175.76 176.27 3hjr s TYR 212 N 2.34 3.54 -0.07 0.00 1.51 -1.26 -0.93 117.35 122.48 3hjr s TYR 212 Ca 0.18 1.46 0.04 0.00 -1.01 0.00 0.00 57.07 57.75 3hjr s TYR 212 Cb -0.16 -3.05 -0.01 0.00 -0.11 0.00 0.00 41.96 38.63 3hjr s TYR 212 CO 0.12 -0.11 -0.21 0.42 -1.11 0.00 0.00 175.55 174.66 3hjr s ILE 213 N 1.56 2.45 -0.03 2.71 -1.09 -0.26 -0.87 121.20 125.68 3hjr s ILE 213 Ca 0.44 -0.92 -0.01 0.00 -2.23 0.00 0.00 60.65 57.94 3hjr s ILE 213 Cb -0.18 -1.94 0.03 0.00 -1.58 0.00 0.00 42.46 38.79 3hjr s ILE 213 CO 0.19 0.57 0.05 -0.75 -1.23 0.00 0.00 174.94 173.77 3hjr s LYS 214 N -0.18 -0.00 0.23 2.79 2.47 -0.33 -1.36 119.74 123.35 3hjr s LYS 214 Ca -0.02 0.20 -0.30 0.00 -1.56 0.00 0.00 55.97 54.29 3hjr s LYS 214 Cb -0.14 -0.19 -0.09 0.00 -1.46 0.00 0.00 37.83 35.95 3hjr s LYS 214 CO 0.03 -0.14 1.31 0.00 0.16 0.00 0.00 175.35 176.72 3hjr s ALA 215 N 0.91 3.53 0.27 3.13 0.00 -0.85 -1.76 121.76 126.99 3hjr s ALA 215 Ca -0.07 1.14 0.17 0.00 0.00 0.00 0.00 51.96 53.20 3hjr s ALA 215 Cb -0.10 -3.48 0.74 0.00 0.00 0.00 0.00 23.12 20.28 3hjr s ALA 215 CO -0.03 -0.55 1.78 0.00 0.00 0.00 0.00 175.76 176.96 3hjr h ALA 216 N 5.00 1.14 0.00 0.00 0.00 -1.69 -3.44 119.26 120.26 3hjr h ALA 216 Ca -0.45 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3hjr h ALA 216 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3hjr h ALA 216 CO 0.75 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.88 3hjr n GLY 217 N -0.08 2.97 2.08 0.00 0.00 -1.26 -4.63 105.19 104.27 3hjr n GLY 217 Ca -0.01 -2.02 -0.24 0.00 0.00 0.00 0.00 46.02 43.75 3hjr n GLY 217 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hjr n ASN 218 N 0.00 4.89 -1.37 1.61 3.02 -1.26 -0.77 115.26 121.38 3hjr n ASN 218 Ca 0.00 -3.74 -0.05 0.00 -0.03 0.00 0.00 54.58 50.76 3hjr n ASN 218 Cb 0.00 -0.35 0.22 0.00 -0.61 0.00 0.00 39.78 39.03 3hjr n ASN 218 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hjr n GLY 219 N -0.68 4.55 0.36 7.41 0.00 -0.73 -4.61 105.19 111.49 3hjr n GLY 219 Ca 0.43 -1.15 0.10 0.00 0.00 0.00 0.00 46.02 45.41 3hjr n GLY 219 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hjr h PHE 220 N 1.32 1.05 0.00 1.61 3.04 -1.12 -0.37 116.94 122.47 3hjr h PHE 220 Ca 0.25 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 62.10 3hjr h PHE 220 Cb 1.89 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 40.05 3hjr h PHE 220 CO 1.05 0.36 -1.51 0.09 -2.02 0.00 0.00 178.31 176.28 3hjr n ASN 221 N -4.64 2.75 -3.95 0.41 4.13 -1.26 -0.95 115.26 111.74 3hjr n ASN 221 Ca 0.20 -0.01 -0.10 0.00 1.68 0.00 0.00 54.58 56.35 3hjr n ASN 221 Cb 0.44 -0.17 -0.12 0.00 -1.54 0.00 0.00 39.78 38.40 3hjr n ASN 221 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 3hjr s LYS 222 N -2.18 0.25 0.25 3.52 -2.85 -1.25 -4.29 119.74 113.19 3hjr s LYS 222 Ca -0.12 -0.48 0.05 0.00 -1.00 0.00 0.00 55.97 54.42 3hjr s LYS 222 Cb 0.03 0.09 -0.05 0.00 -2.06 0.00 0.00 37.83 35.84 3hjr s LYS 222 CO 0.20 -0.04 -0.02 0.96 0.10 0.00 0.00 175.35 176.55 3hjr s ILE 223 N -1.15 1.25 -0.13 3.79 -4.36 -0.91 -4.15 121.20 115.53 3hjr s ILE 223 Ca -0.13 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.22 3hjr s ILE 223 Cb -0.08 -2.41 -0.00 0.00 1.25 0.00 0.00 42.46 41.22 3hjr s ILE 223 CO -0.01 -0.29 -0.17 0.00 0.24 0.00 0.00 174.94 174.70 3hjr s ALA 224 N -3.27 2.43 -0.14 2.27 0.00 -1.26 -0.90 121.76 120.88 3hjr s ALA 224 Ca 0.29 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 3hjr s ALA 224 Cb 0.05 -1.09 0.11 0.00 0.00 0.00 0.00 23.12 22.20 3hjr s ALA 224 CO 0.10 0.15 0.92 0.00 0.00 0.00 0.00 175.76 176.93 3hjr s ALA 225 N 0.53 -1.90 -1.89 0.00 0.00 -0.31 -4.62 121.76 113.57 3hjr s ALA 225 Ca -0.11 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.38 3hjr s ALA 225 Cb -0.16 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.40 3hjr s ALA 225 CO 0.04 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3hjr n GLY 226 N 0.81 1.01 0.98 0.00 0.00 -1.26 -1.77 105.19 104.95 3hjr n GLY 226 Ca -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3hjr n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hjr n GLY 227 N -0.76 0.75 3.37 -0.02 0.00 -1.26 -5.06 105.19 102.21 3hjr n GLY 227 Ca -0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 3hjr n GLY 227 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hjr s TYR 228 N -2.37 1.73 -0.18 1.61 2.02 -0.73 -1.03 117.35 118.41 3hjr s TYR 228 Ca 0.00 -0.77 -0.05 0.00 -0.37 0.00 0.00 57.07 55.88 3hjr s TYR 228 Cb 0.00 -0.97 -0.03 0.00 -0.40 0.00 0.00 41.96 40.57 3hjr s TYR 228 CO 0.00 0.16 -0.01 0.08 -1.57 0.00 0.00 175.55 174.20 3hjr s VAL 229 N -3.18 4.02 0.03 0.71 1.01 0.17 -1.17 120.40 121.99 3hjr s VAL 229 Ca 0.27 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.03 3hjr s VAL 229 Cb 0.04 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3hjr s VAL 229 CO 0.09 0.46 -0.24 -0.76 0.00 0.00 0.00 175.10 174.65 3hjr s LEU 230 N 0.61 2.13 0.05 3.92 1.02 -0.08 -1.12 118.68 125.22 3hjr s LEU 230 Ca -0.01 -0.53 -0.20 0.00 0.02 0.00 0.00 54.13 53.41 3hjr s LEU 230 Cb -0.14 -1.20 0.04 0.00 0.02 0.00 0.00 46.19 44.91 3hjr s LEU 230 CO 0.02 0.25 0.46 0.54 0.02 0.00 0.00 176.35 177.64 3hjr s ASN 231 N -1.04 -0.35 0.54 2.29 2.20 -0.93 -2.15 114.94 115.51 3hjr s ASN 231 Ca 0.10 0.06 -0.13 0.00 -0.94 0.00 0.00 52.86 51.95 3hjr s ASN 231 Cb -0.10 0.46 -0.06 0.00 -2.00 0.00 0.00 41.25 39.55 3hjr s ASN 231 CO 0.01 -0.70 0.97 -0.13 -2.94 0.00 0.00 177.10 174.32 3hjr s ARG 232 N -2.51 3.76 0.13 3.55 0.52 -1.26 -0.42 118.95 122.72 3hjr s ARG 232 Ca -0.05 0.77 -0.02 0.00 -0.52 0.00 0.00 55.73 55.91 3hjr s ARG 232 Cb -0.01 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 33.27 3hjr s ARG 232 CO -0.02 -0.37 0.08 -0.08 0.02 0.00 0.00 175.30 174.93 3hjr s THR 233 N -2.84 0.10 0.00 0.02 -1.32 -1.11 -4.81 115.64 105.69 3hjr s THR 233 Ca 0.56 -1.84 0.00 0.00 -1.21 0.00 0.00 61.69 59.19 3hjr s THR 233 Cb -0.10 -2.01 0.00 0.00 -1.51 0.00 0.00 72.50 68.88 3hjr s THR 233 CO 0.41 -0.45 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 3hjr n GLY 234 N -0.11 -1.77 3.76 6.08 0.00 -1.26 -4.44 105.19 107.45 3hjr n GLY 234 Ca -0.06 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 3hjr n GLY 234 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hjr s ASN 235 N -4.00 5.99 0.00 1.61 -0.87 -1.26 -4.99 114.94 111.43 3hjr s ASN 235 Ca 0.00 2.72 0.00 0.00 -1.57 0.00 0.00 52.86 54.01 3hjr s ASN 235 Cb 0.00 -2.64 0.00 0.00 -0.02 0.00 0.00 41.25 38.59 3hjr s ASN 235 CO 0.00 -1.08 0.00 0.61 -2.57 0.00 0.00 177.10 174.06 3hjr n GLY 236 N 0.63 3.14 3.82 0.66 0.00 -1.26 -5.00 105.19 107.17 3hjr n GLY 236 Ca 0.06 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 3hjr n GLY 236 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hjr s PRO 237 N -2.00 2.91 -1.29 1.61 0.04 -1.26 -4.94 135.00 130.07 3hjr s PRO 237 Ca 0.00 0.97 -0.08 0.00 0.04 0.00 0.00 61.00 61.93 3hjr s PRO 237 Cb 0.00 -1.99 0.16 0.00 0.04 0.00 0.00 34.50 32.71 3hjr s PRO 237 CO 0.00 -1.12 2.06 1.17 0.04 0.00 0.00 177.00 179.14 3hjr n LYS 238 N -3.14 4.05 -3.93 4.56 3.00 -1.26 -4.91 118.16 116.52 3hjr n LYS 238 Ca 0.08 -3.55 -0.31 0.00 -0.00 0.00 0.00 58.31 54.52 3hjr n LYS 238 Cb 0.53 -2.79 -0.04 0.00 0.00 0.00 0.00 35.03 32.73 3hjr n LYS 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3hjr s LEU 239 N -1.05 4.31 0.34 3.14 1.43 -1.26 -4.96 118.68 120.64 3hjr s LEU 239 Ca 0.45 0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 53.52 3hjr s LEU 239 Cb 0.13 -2.84 -0.11 0.00 0.03 0.00 0.00 46.19 43.40 3hjr s LEU 239 CO -0.03 0.19 1.46 -2.16 0.23 0.00 0.00 176.35 176.04 3hjr s PRO 240 N -2.37 4.18 0.05 1.29 0.04 -1.26 -4.90 135.00 132.03 3hjr s PRO 240 Ca 0.33 2.48 -0.20 0.00 0.04 0.00 0.00 61.00 63.64 3hjr s PRO 240 Cb -0.13 -3.01 -0.12 0.00 0.04 0.00 0.00 34.50 31.28 3hjr s PRO 240 CO 0.25 -0.46 1.41 0.35 0.04 0.00 0.00 177.00 178.59 3hjr h PHE 241 N 3.52 0.42 -3.35 0.56 3.57 -1.06 -3.40 116.94 117.19 3hjr h PHE 241 Ca -0.49 -0.10 -0.73 0.00 3.53 0.00 0.00 57.97 60.17 3hjr h PHE 241 Cb 1.23 -0.10 -0.22 0.00 2.79 0.00 0.00 35.95 39.65 3hjr h PHE 241 CO 0.55 0.67 -0.36 -2.00 -2.23 0.00 0.00 178.31 174.95 3hjr s GLU 242 N -4.58 2.97 0.24 1.11 2.12 -0.15 0.04 118.70 120.44 3hjr s GLU 242 Ca -0.14 -1.27 -0.30 0.00 0.36 0.00 0.00 54.97 53.62 3hjr s GLU 242 Cb 0.06 -4.09 -0.09 0.00 0.26 0.00 0.00 34.13 30.27 3hjr s GLU 242 CO 0.75 -0.96 1.03 1.21 -0.54 0.00 0.00 175.26 176.75 3hjr s ASN 243 N 2.37 7.42 0.00 -1.70 2.47 -1.26 -3.80 114.94 120.43 3hjr s ASN 243 Ca 0.04 2.09 0.10 0.00 0.42 0.00 0.00 52.86 55.51 3hjr s ASN 243 Cb -0.23 -2.61 0.42 0.00 -1.45 0.00 0.00 41.25 37.38 3hjr s ASN 243 CO 0.07 -0.04 1.29 -1.54 -3.72 0.00 0.00 177.10 173.16 3hjr n SER 244 N 1.62 0.00 -0.16 -4.21 3.41 -0.03 -1.89 113.62 112.35 3hjr n SER 244 Ca -0.01 0.45 0.15 0.00 -0.26 0.00 0.00 58.87 59.20 3hjr n SER 244 Cb 0.46 -0.47 0.69 0.00 -0.26 0.00 0.00 64.21 64.64 3hjr n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hjr n ASN 245 N -1.47 0.56 -0.05 4.04 5.03 -1.26 -4.34 115.26 117.77 3hjr n ASN 245 Ca 0.03 -0.90 -0.14 0.00 0.87 0.00 0.00 54.58 54.43 3hjr n ASN 245 Cb 0.11 -0.04 -0.08 0.00 -1.02 0.00 0.00 39.78 38.75 3hjr n ASN 245 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3hjr h LEU 246 N 0.80 0.49 -9.15 3.41 3.38 -1.70 -3.41 115.31 109.12 3hjr h LEU 246 Ca 0.00 -0.57 -0.56 0.00 0.09 0.00 0.00 57.88 56.84 3hjr h LEU 246 Cb 0.28 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3hjr h LEU 246 CO 0.00 0.97 1.14 -0.62 0.09 0.00 0.00 178.44 180.02 3hjr s ASP 247 N -6.39 6.45 0.47 -0.43 -1.08 -1.26 -4.75 116.67 109.68 3hjr s ASP 247 Ca -0.14 1.97 0.18 0.00 -0.52 0.00 0.00 52.55 54.04 3hjr s ASP 247 Cb 0.05 -2.53 1.17 0.00 -1.46 0.00 0.00 42.92 40.15 3hjr s ASP 247 CO 0.79 -1.15 1.99 -0.65 0.52 0.00 0.00 175.17 176.67 3hjr h PRO 248 N 10.49 0.24 0.00 4.34 0.11 -1.89 -0.36 132.00 144.93 3hjr h PRO 248 Ca -0.37 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 3hjr h PRO 248 Cb 1.17 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hjr h PRO 248 CO 0.97 0.16 -0.00 0.77 -0.21 0.00 0.00 178.00 179.69 3hjr h SER 249 N 0.25 0.00 0.36 -2.05 0.02 -1.94 -2.89 113.55 107.30 3hjr h SER 249 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3hjr h SER 249 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3hjr h SER 249 CO -0.05 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.23 3hjr n ASN 250 N -4.00 0.00 -0.55 3.07 3.02 -0.14 -2.77 115.26 113.88 3hjr n ASN 250 Ca -0.03 -0.29 0.07 0.00 -0.03 0.00 0.00 54.58 54.29 3hjr n ASN 250 Cb 0.09 -0.21 0.17 0.00 -0.61 0.00 0.00 39.78 39.22 3hjr n ASN 250 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3hjr n SER 251 N -1.21 3.08 -0.15 6.41 3.41 -1.09 -4.70 113.62 119.36 3hjr n SER 251 Ca 0.15 -2.61 0.12 0.00 -0.26 0.00 0.00 58.87 56.26 3hjr n SER 251 Cb 0.18 -0.36 0.61 0.00 -0.26 0.00 0.00 64.21 64.37 3hjr n SER 251 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hjr n ASN 252 N -0.40 0.46 0.00 4.04 2.04 -1.12 -4.68 115.26 115.61 3hjr n ASN 252 Ca 0.15 -1.38 0.00 0.00 -0.44 0.00 0.00 54.58 52.90 3hjr n ASN 252 Cb 0.63 -0.02 0.00 0.00 -2.53 0.00 0.00 39.78 37.86 3hjr n ASN 252 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 3hjr n PHE 253 N -0.53 0.00 -0.07 -2.53 -0.00 -1.26 -4.59 117.46 108.48 3hjr n PHE 253 Ca 0.17 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.63 3hjr n PHE 253 Cb 0.15 0.00 0.32 0.00 -0.00 0.00 0.00 39.48 39.95 3hjr n PHE 253 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.76 175.27 3hjr h TRP 254 N 0.00 0.68 -3.14 -5.13 4.06 -1.93 -3.40 115.95 107.09 3hjr h TRP 254 Ca 0.00 -0.01 -0.53 0.00 2.06 0.00 0.00 58.89 60.41 3hjr h TRP 254 Cb 0.00 -0.22 0.02 0.00 -1.00 0.00 0.00 29.16 27.96 3hjr h TRP 254 CO 0.00 0.49 0.67 -0.80 -3.56 0.00 0.00 178.44 175.24 3hjr s ASN 255 N -6.60 6.90 -0.40 -3.49 0.01 -1.26 -4.07 114.94 106.02 3hjr s ASN 255 Ca -0.09 2.28 -0.16 0.00 -0.71 0.00 0.00 52.86 54.17 3hjr s ASN 255 Cb 0.17 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.25 3hjr s ASN 255 CO 0.76 -0.58 0.38 -0.22 -1.51 0.00 0.00 177.10 175.93 3hjr s LEU 256 N 0.79 4.88 -0.15 0.60 2.96 -0.04 -4.89 118.68 122.81 3hjr s LEU 256 Ca 0.61 -0.68 -0.14 0.00 -0.22 0.00 0.00 54.13 53.70 3hjr s LEU 256 Cb -0.35 -2.30 -0.05 0.00 0.50 0.00 0.00 46.19 44.00 3hjr s LEU 256 CO 0.32 -0.49 0.31 -0.69 -1.32 0.00 0.00 176.35 174.47 3hjr s VAL 257 N 1.96 5.29 -0.00 1.68 1.01 -1.26 -1.19 120.40 127.89 3hjr s VAL 257 Ca 0.09 0.59 0.07 0.00 0.00 0.00 0.00 61.98 62.73 3hjr s VAL 257 Cb -0.18 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 3hjr s VAL 257 CO 0.12 0.39 -0.21 0.68 0.00 0.00 0.00 175.10 176.08 3hjr s VAL 258 N 0.44 1.65 0.42 2.92 -7.23 -0.72 -0.66 120.40 117.22 3hjr s VAL 258 Ca 0.17 -0.96 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 3hjr s VAL 258 Cb -0.13 -1.38 -0.01 0.00 0.56 0.00 0.00 36.38 35.41 3hjr s VAL 258 CO 0.05 0.41 0.64 -0.94 -0.31 0.00 0.00 175.10 174.94 3hjr s SER 259 N -0.64 6.00 -0.14 4.85 1.04 -0.91 -1.99 113.70 121.90 3hjr s SER 259 Ca 0.08 0.37 -0.08 0.00 0.48 0.00 0.00 55.95 56.80 3hjr s SER 259 Cb -0.08 -1.73 -0.04 0.00 0.10 0.00 0.00 66.02 64.27 3hjr s SER 259 CO -0.00 -0.57 0.14 0.00 0.98 0.00 0.00 173.24 173.79 3hjr s ALA 260 N -2.49 3.83 -0.00 5.32 0.00 -1.26 -1.40 121.76 125.76 3hjr s ALA 260 Ca 0.46 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.81 3hjr s ALA 260 Cb -0.10 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 3hjr s ALA 260 CO 0.38 0.50 -0.12 -1.17 0.00 0.00 0.00 175.76 175.35 3hjr s LEU 261 N -0.67 2.90 0.58 0.00 2.96 0.76 -0.83 118.68 124.39 3hjr s LEU 261 Ca 0.13 -0.23 0.09 0.00 -0.22 0.00 0.00 54.13 53.90 3hjr s LEU 261 Cb -0.12 -1.66 0.09 0.00 0.50 0.00 0.00 46.19 45.00 3hjr s LEU 261 CO 0.03 0.29 0.81 0.54 -1.32 0.00 0.00 176.35 176.70 3hjr s ASN 262 N -1.23 5.06 0.09 3.68 2.20 0.32 -1.24 114.94 123.82 3hjr s ASN 262 Ca 0.15 -0.85 0.20 0.00 -0.94 0.00 0.00 52.86 51.41 3hjr s ASN 262 Cb -0.11 0.33 0.82 0.00 -2.00 0.00 0.00 41.25 40.28 3hjr s ASN 262 CO 0.05 -1.38 1.62 0.00 -2.94 0.00 0.00 177.10 174.45 3hjr n ALA 263 N -2.27 1.79 1.58 3.54 0.00 -1.26 -1.67 120.51 122.21 3hjr n ALA 263 Ca 0.16 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.73 3hjr n ALA 263 Cb 0.62 -1.33 0.60 0.00 0.00 0.00 0.00 19.45 19.34 3hjr n ALA 263 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hjr n ASP 264 N -1.76 1.13 0.00 0.00 8.00 -1.26 -0.97 116.55 121.68 3hjr n ASP 264 Ca 0.04 -1.32 0.00 0.00 0.71 0.00 0.00 54.79 54.22 3hjr n ASP 264 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 3hjr n ASP 264 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hjr n GLY 265 N 1.16 0.42 3.38 0.44 0.00 -0.67 -4.70 105.19 105.22 3hjr n GLY 265 Ca 0.19 -0.95 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 3hjr n GLY 265 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hjr s VAL 266 N -2.00 0.91 0.17 1.61 -7.23 -1.26 -4.19 120.40 108.41 3hjr s VAL 266 Ca 0.00 -2.00 -0.34 0.00 -1.81 0.00 0.00 61.98 57.83 3hjr s VAL 266 Cb 0.00 -2.67 -0.14 0.00 0.56 0.00 0.00 36.38 34.12 3hjr s VAL 266 CO 0.00 -0.04 1.46 -1.14 -0.31 0.00 0.00 175.10 175.06 3hjr n ARG 267 N -0.56 1.84 -1.74 4.82 0.00 -1.26 -0.52 116.66 119.24 3hjr n ARG 267 Ca -0.02 0.66 -0.42 0.00 -0.00 0.00 0.00 57.85 58.08 3hjr n ARG 267 Cb 0.66 -2.36 -0.02 0.00 0.00 0.00 0.00 32.46 30.75 3hjr n ARG 267 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3hjr n SER 268 N 2.83 3.85 -0.32 6.15 7.64 -0.01 -4.66 113.62 129.09 3hjr n SER 268 Ca 0.16 1.14 0.19 0.00 1.01 0.00 0.00 58.87 61.37 3hjr n SER 268 Cb 0.27 -1.59 0.39 0.00 -1.01 0.00 0.00 64.21 62.27 3hjr n SER 268 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3hjr h SER 269 N 4.98 0.15 0.66 6.43 4.64 -1.90 -1.19 113.55 127.33 3hjr h SER 269 Ca -0.47 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3hjr h SER 269 Cb 1.22 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 3hjr h SER 269 CO 0.81 -0.21 -0.53 0.00 -0.87 0.00 0.00 176.83 176.03 3hjr n TYR 270 N -5.20 0.21 -1.70 4.77 0.18 -1.26 -4.68 117.16 109.48 3hjr n TYR 270 Ca 0.27 0.06 -0.42 0.00 1.88 0.00 0.00 57.90 59.69 3hjr n TYR 270 Cb 0.86 -0.42 -0.03 0.00 -0.38 0.00 0.00 39.34 39.37 3hjr n TYR 270 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3hjr n SER 271 N -1.74 4.05 -4.74 9.48 2.88 -0.45 -0.83 113.62 122.27 3hjr n SER 271 Ca 0.05 1.00 -0.34 0.00 -1.33 0.00 0.00 58.87 58.25 3hjr n SER 271 Cb 0.38 -1.55 0.08 0.00 -0.75 0.00 0.00 64.21 62.36 3hjr n SER 271 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3hjr s SER 272 N 2.36 4.52 0.17 -3.46 0.01 0.05 -4.01 113.70 113.35 3hjr s SER 272 Ca 0.80 2.26 -0.09 0.00 1.31 0.00 0.00 55.95 60.23 3hjr s SER 272 Cb -0.48 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.16 3hjr s SER 272 CO 0.36 -2.04 0.30 0.68 0.41 0.00 0.00 173.24 172.95 3hjr s VAL 273 N -2.05 0.06 0.00 3.43 -7.23 -1.25 -4.74 120.40 108.61 3hjr s VAL 273 Ca 0.72 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 3hjr s VAL 273 Cb -0.27 -1.91 0.00 0.00 0.56 0.00 0.00 36.38 34.76 3hjr s VAL 273 CO 0.43 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 3hjr n GLY 274 N -0.23 -0.12 0.25 2.32 0.00 -0.75 -0.85 105.19 105.80 3hjr n GLY 274 Ca -0.06 -1.23 0.17 0.00 0.00 0.00 0.00 46.02 44.90 3hjr n GLY 274 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hjr h SER 275 N 0.00 0.00 -0.05 1.61 4.64 -1.80 -2.09 113.55 115.86 3hjr h SER 275 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hjr h SER 275 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hjr h SER 275 CO 0.00 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.50 3hjr n ASN 276 N -2.74 2.17 -4.72 4.97 2.04 -1.09 -1.20 115.26 114.70 3hjr n ASN 276 Ca -0.01 -1.73 -0.42 0.00 -0.44 0.00 0.00 54.58 51.98 3hjr n ASN 276 Cb 0.12 -0.02 -0.03 0.00 -2.53 0.00 0.00 39.78 37.32 3hjr n ASN 276 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3hjr s ILE 277 N -1.96 2.80 -0.16 1.53 -1.09 -0.79 -4.49 121.20 117.05 3hjr s ILE 277 Ca 0.34 0.58 -0.15 0.00 -2.23 0.00 0.00 60.65 59.19 3hjr s ILE 277 Cb 0.20 -3.37 -0.23 0.00 -1.58 0.00 0.00 42.46 37.48 3hjr s ILE 277 CO 0.32 0.05 0.32 0.15 -1.23 0.00 0.00 174.94 174.54 3hjr h PHE 278 N 6.68 0.25 -3.61 3.97 3.57 -1.23 -3.40 116.94 123.17 3hjr h PHE 278 Ca -0.43 -0.18 -0.05 0.00 3.53 0.00 0.00 57.97 60.84 3hjr h PHE 278 Cb 1.21 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.85 3hjr h PHE 278 CO 0.65 1.62 -0.10 -0.48 -2.23 0.00 0.00 178.31 177.76 3hjr s LEU 279 N -7.51 0.31 -0.10 0.59 0.05 -1.24 -1.50 118.68 109.28 3hjr s LEU 279 Ca -0.25 -0.89 -0.04 0.00 0.05 0.00 0.00 54.13 53.00 3hjr s LEU 279 Cb 0.06 1.81 -0.04 0.00 -2.05 0.00 0.00 46.19 45.97 3hjr s LEU 279 CO 0.68 -1.13 0.05 -0.55 -0.55 0.00 0.00 176.35 174.85 3hjr s SER 280 N -3.00 5.62 0.23 1.48 0.15 -0.21 -2.15 113.70 115.82 3hjr s SER 280 Ca 0.21 0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.10 3hjr s SER 280 Cb -0.01 -1.70 -0.04 0.00 -1.71 0.00 0.00 66.02 62.57 3hjr s SER 280 CO 0.08 0.37 0.17 0.00 1.20 0.00 0.00 173.24 175.07 3hjr s ALA 281 N -0.83 1.24 -0.03 5.45 0.00 -0.49 -2.24 121.76 124.86 3hjr s ALA 281 Ca 0.13 -1.74 -0.30 0.00 0.00 0.00 0.00 51.96 50.05 3hjr s ALA 281 Cb -0.12 1.39 -0.04 0.00 0.00 0.00 0.00 23.12 24.35 3hjr s ALA 281 CO 0.03 -0.62 1.29 0.95 0.00 0.00 0.00 175.76 177.41 3hjr s THR 282 N -4.01 4.01 0.00 0.00 -4.23 -1.26 -0.17 115.64 109.98 3hjr s THR 282 Ca 0.39 1.36 0.00 0.00 -1.18 0.00 0.00 61.69 62.26 3hjr s THR 282 Cb 0.06 -3.88 0.00 0.00 1.34 0.00 0.00 72.50 70.02 3hjr s THR 282 CO 0.15 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 3hjr n GLY 283 N 3.49 0.30 7.00 3.99 0.00 -0.38 -2.50 105.19 117.09 3hjr n GLY 283 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3hjr n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hjr n GLY 284 N 0.50 -0.34 0.00 -0.02 0.00 -0.45 -3.17 105.19 101.71 3hjr n GLY 284 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3hjr n GLY 284 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hjr n GLU 285 N -0.11 0.00 0.00 1.61 -0.58 -0.10 -4.58 120.64 116.88 3hjr n GLU 285 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3hjr n GLU 285 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3hjr n GLU 285 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3hjr n TYR 286 N 0.00 0.00 -1.00 -0.32 4.02 -1.26 -4.66 117.16 113.94 3hjr n TYR 286 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3hjr n TYR 286 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3hjr n TYR 286 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hjr n GLY 287 N 0.61 0.48 0.07 2.72 0.00 -0.47 -4.61 105.19 103.97 3hjr n GLY 287 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3hjr n GLY 287 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hjr n THR 288 N -2.95 0.00 0.12 2.61 -2.24 -1.26 -3.85 114.28 106.71 3hjr n THR 288 Ca -0.00 0.13 0.01 0.00 -2.27 0.00 0.00 64.05 61.92 3hjr n THR 288 Cb 0.02 -1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 67.18 3hjr n THR 288 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hjr h ASP 289 N 0.00 0.00 -5.17 3.42 3.45 -1.94 -0.73 116.42 115.44 3hjr h ASP 289 Ca 0.00 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.37 3hjr h ASP 289 Cb 0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 38.64 3hjr h ASP 289 CO 0.00 0.60 -0.33 0.42 -1.57 0.00 0.00 179.24 178.36 3hjr s THR 290 N -2.91 0.12 0.45 0.35 -4.23 -1.26 -2.84 115.64 105.31 3hjr s THR 290 Ca 0.03 -1.17 -0.24 0.00 -1.18 0.00 0.00 61.69 59.13 3hjr s THR 290 Cb 0.08 -1.44 -0.07 0.00 1.34 0.00 0.00 72.50 72.41 3hjr s THR 290 CO 0.76 -0.53 1.29 -2.84 -0.54 0.00 0.00 174.62 172.76 3hjr s PRO 291 N -3.88 3.71 0.00 3.99 0.02 -1.25 -1.37 135.00 136.21 3hjr s PRO 291 Ca 0.08 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.20 3hjr s PRO 291 Cb 0.04 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 32.01 3hjr s PRO 291 CO -0.09 -0.69 0.00 0.00 -0.33 0.00 0.00 177.00 175.89 3hjr n ALA 292 N -0.31 0.00 -2.83 -1.55 0.00 -1.26 -0.93 120.51 113.64 3hjr n ALA 292 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 3hjr n ALA 292 Cb 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 3hjr n ALA 292 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3hjr s MET 293 N 1.48 2.82 -0.10 0.00 -1.94 0.44 -4.84 119.30 117.16 3hjr s MET 293 Ca 0.00 -1.15 -0.30 0.00 -1.71 0.00 0.00 55.69 52.53 3hjr s MET 293 Cb 0.00 -3.82 -0.02 0.00 2.01 0.00 0.00 34.83 33.00 3hjr s MET 293 CO 0.00 -0.78 1.21 0.08 -0.01 0.00 0.00 175.02 175.52 3hjr s VAL 294 N 1.56 4.30 0.30 -6.03 1.01 -1.26 -3.48 120.40 116.80 3hjr s VAL 294 Ca 0.03 1.60 -0.10 0.00 0.00 0.00 0.00 61.98 63.51 3hjr s VAL 294 Cb -0.20 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.19 3hjr s VAL 294 CO 0.07 -0.05 0.56 1.07 0.00 0.00 0.00 175.10 176.74 3hjr n THR 295 N 4.90 0.00 -2.57 3.92 5.66 -0.34 -4.88 114.28 120.97 3hjr n THR 295 Ca 0.12 -0.87 -0.42 0.00 -3.05 0.00 0.00 64.05 59.84 3hjr n THR 295 Cb 0.46 0.77 -0.03 0.00 -1.55 0.00 0.00 70.33 69.98 3hjr n THR 295 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3hjr s THR 296 N -2.39 4.32 0.40 1.09 -4.23 -1.26 -0.71 115.64 112.87 3hjr s THR 296 Ca 0.14 1.77 0.08 0.00 -1.18 0.00 0.00 61.69 62.49 3hjr s THR 296 Cb -0.03 -4.13 -0.02 0.00 1.34 0.00 0.00 72.50 69.66 3hjr s THR 296 CO 0.10 0.19 0.40 -0.62 -0.54 0.00 0.00 174.62 174.15 3hjr s ASP 297 N 0.64 5.20 0.16 3.99 3.68 0.05 -2.78 116.67 127.61 3hjr s ASP 297 Ca 0.53 -0.65 -0.33 0.00 2.13 0.00 0.00 52.55 54.23 3hjr s ASP 297 Cb -0.26 -0.66 -0.13 0.00 -1.45 0.00 0.00 42.92 40.42 3hjr s ASP 297 CO 0.30 -0.62 1.62 0.18 0.13 0.00 0.00 175.17 176.78 3hjr n LEU 298 N -1.57 3.30 -4.74 -1.34 4.77 -1.26 -4.69 117.00 111.47 3hjr n LEU 298 Ca 0.03 1.07 -0.42 0.00 -0.03 0.00 0.00 56.01 56.67 3hjr n LEU 298 Cb 0.61 -1.46 -0.00 0.00 -2.33 0.00 0.00 43.42 40.24 3hjr n LEU 298 CO 0.42 -0.18 1.03 -2.65 -1.33 0.00 0.00 177.39 174.68 3hjr n PRO 299 N 3.66 2.41 0.00 3.23 -0.02 -1.26 -4.46 135.00 138.56 3hjr n PRO 299 Ca 0.17 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 3hjr n PRO 299 Cb 0.30 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 3hjr n PRO 299 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hjr n GLY 300 N 0.60 1.68 0.35 -1.23 0.00 -0.34 -4.45 105.19 101.80 3hjr n GLY 300 Ca 0.03 -1.78 0.08 0.00 0.00 0.00 0.00 46.02 44.35 3hjr n GLY 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hjr n ASP 302 N -0.05 2.54 -3.90 0.00 10.43 -1.26 -0.87 116.55 123.44 3hjr n ASP 302 Ca 0.13 -1.74 -0.12 0.00 2.57 0.00 0.00 54.79 55.63 3hjr n ASP 302 Cb 0.21 -0.12 -0.13 0.00 1.84 0.00 0.00 41.12 42.92 3hjr n ASP 302 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 3hjr s MET 303 N -1.07 0.10 0.00 -1.24 -1.94 -1.20 -4.82 119.30 109.12 3hjr s MET 303 Ca 0.21 -0.14 0.00 0.00 -1.71 0.00 0.00 55.69 54.04 3hjr s MET 303 Cb 0.13 -0.01 0.00 0.00 2.01 0.00 0.00 34.83 36.96 3hjr s MET 303 CO 0.18 -0.00 0.00 0.41 -0.01 0.00 0.00 175.02 175.59 3hjr n GLY 304 N 2.76 -2.99 0.22 -0.03 0.00 0.12 -4.44 105.19 100.83 3hjr n GLY 304 Ca -0.15 -2.10 0.11 0.00 0.00 0.00 0.00 46.02 43.89 3hjr n GLY 304 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hjr h TYR 305 N 0.00 0.00 -3.29 1.61 0.05 -1.90 -3.37 116.97 110.08 3hjr h TYR 305 Ca 0.00 0.00 -0.73 0.00 0.05 0.00 0.00 58.73 58.05 3hjr h TYR 305 Cb 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 37.46 3hjr h TYR 305 CO 0.00 0.17 -0.38 1.21 -1.05 0.00 0.00 178.16 178.11 3hjr s ASN 306 N -6.11 5.77 0.16 3.88 2.47 -1.26 -4.90 114.94 114.95 3hjr s ASN 306 Ca 0.02 -1.84 -0.23 0.00 0.42 0.00 0.00 52.86 51.23 3hjr s ASN 306 Cb 0.09 -2.04 0.07 0.00 -1.45 0.00 0.00 41.25 37.92 3hjr s ASN 306 CO 0.63 -0.70 0.62 0.00 -3.72 0.00 0.00 177.10 173.94 3hjr s ARG 307 N 1.40 1.29 0.25 0.43 1.70 -1.26 -4.57 118.95 118.19 3hjr s ARG 307 Ca 0.05 -0.50 -0.06 0.00 -0.47 0.00 0.00 55.73 54.75 3hjr s ARG 307 Cb -0.26 0.58 0.26 0.00 -0.57 0.00 0.00 34.95 34.96 3hjr s ARG 307 CO 0.00 -0.57 1.92 1.15 -1.08 0.00 0.00 175.30 176.73 3hjr h THR 308 N 2.00 1.25 0.00 4.99 2.02 -1.38 -2.63 112.91 119.16 3hjr h THR 308 Ca -0.32 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.40 3hjr h THR 308 Cb 1.30 -0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3hjr h THR 308 CO 0.36 0.24 0.00 0.47 0.37 0.00 0.00 175.52 176.97 3hjr n ASP 309 N -4.40 0.58 -3.27 4.18 8.00 -1.26 -4.01 116.55 116.37 3hjr n ASP 309 Ca 0.12 0.59 -0.26 0.00 0.71 0.00 0.00 54.79 55.95 3hjr n ASP 309 Cb 0.02 -0.73 -0.07 0.00 -0.02 0.00 0.00 41.12 40.32 3hjr n ASP 309 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3hjr n ASP 310 N -2.08 2.81 -4.60 -2.24 2.03 -0.99 -5.11 116.55 106.37 3hjr n ASP 310 Ca 0.05 -3.27 -0.33 0.00 0.52 0.00 0.00 54.79 51.75 3hjr n ASP 310 Cb 0.33 -0.64 0.13 0.00 -0.72 0.00 0.00 41.12 40.22 3hjr n ASP 310 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3hjr n PRO 311 N 0.76 -0.06 -3.99 -0.67 -0.04 -1.26 -4.50 135.00 125.25 3hjr n PRO 311 Ca 0.28 0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.70 3hjr n PRO 311 Cb 0.45 -2.23 -0.11 0.00 -0.04 0.00 0.00 33.50 31.58 3hjr n PRO 311 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hjr s SER 312 N -2.15 0.26 0.00 3.54 0.15 -1.26 -5.03 113.70 109.21 3hjr s SER 312 Ca 0.67 -0.54 0.20 0.00 0.70 0.00 0.00 55.95 56.99 3hjr s SER 312 Cb -0.27 0.12 0.87 0.00 -1.71 0.00 0.00 66.02 65.03 3hjr s SER 312 CO 0.57 -0.34 1.65 0.35 1.20 0.00 0.00 173.24 176.67 3hjr n THR 313 N 1.41 0.60 -1.88 6.45 -2.24 -1.26 -4.76 114.28 112.59 3hjr n THR 313 Ca -0.23 0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 3hjr n THR 313 Cb 0.56 -0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 3hjr n THR 313 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3hjr s ASN 314 N -3.02 6.54 0.21 3.42 2.47 -1.25 -4.90 114.94 118.42 3hjr s ASN 314 Ca 0.10 2.65 0.24 0.00 0.42 0.00 0.00 52.86 56.27 3hjr s ASN 314 Cb 0.13 -2.59 0.92 0.00 -1.45 0.00 0.00 41.25 38.26 3hjr s ASN 314 CO 0.37 -0.87 1.72 0.54 -3.72 0.00 0.00 177.10 175.14 3hjr n ARG 315 N 4.30 0.19 0.23 0.43 1.74 -0.26 -2.56 116.66 120.73 3hjr n ARG 315 Ca 0.15 0.34 0.11 0.00 -0.77 0.00 0.00 57.85 57.68 3hjr n ARG 315 Cb 0.38 -1.81 0.49 0.00 -1.02 0.00 0.00 32.46 30.50 3hjr n ARG 315 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3hjr h LEU 316 N 0.00 0.00 0.02 0.55 5.85 -1.91 -3.37 115.31 116.46 3hjr h LEU 316 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 3hjr h LEU 316 Cb 0.45 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.49 3hjr h LEU 316 CO 0.00 0.18 -0.35 0.45 -0.34 0.00 0.00 178.44 178.38 3hjr h HIS 317 N 0.00 0.31 0.00 1.25 3.86 -1.83 -3.30 115.15 115.44 3hjr h HIS 317 Ca -0.00 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 3hjr h HIS 317 Cb 0.72 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.16 3hjr h HIS 317 CO 0.00 1.03 0.00 0.41 0.86 0.00 0.00 177.93 180.23 3hjr n GLY 318 N 1.22 0.33 3.10 2.45 0.00 -1.26 -4.81 105.19 106.22 3hjr n GLY 318 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 3hjr n GLY 318 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hjr s ASN 319 N -0.60 5.10 0.41 1.61 3.84 -1.24 -4.95 114.94 119.11 3hjr s ASN 319 Ca 0.00 -2.00 0.21 0.00 0.21 0.00 0.00 52.86 51.28 3hjr s ASN 319 Cb 0.00 -1.77 0.79 0.00 -0.55 0.00 0.00 41.25 39.73 3hjr s ASN 319 CO 0.00 -0.48 1.78 0.28 -2.79 0.00 0.00 177.10 175.89 3hjr h SER 320 N 7.93 0.00 -0.02 -4.21 0.02 -1.91 -1.41 113.55 113.95 3hjr h SER 320 Ca -0.11 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 3hjr h SER 320 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.58 3hjr h SER 320 CO 0.64 0.30 -0.08 -0.61 -1.14 0.00 0.00 176.83 175.93 3hjr h GLN 321 N 0.00 0.10 0.00 3.45 4.15 -1.98 -3.37 115.11 117.45 3hjr h GLN 321 Ca -0.00 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.29 3hjr h GLN 321 Cb 0.82 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.52 3hjr h GLN 321 CO 0.04 0.72 -1.93 1.28 -1.93 0.00 0.00 178.83 177.01 3hjr n LEU 322 N -4.68 0.12 -2.74 -2.39 4.77 -1.19 -4.78 117.00 106.11 3hjr n LEU 322 Ca -0.09 0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 55.89 3hjr n LEU 322 Cb 0.37 0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.55 3hjr n LEU 322 CO 0.36 0.06 0.24 -0.67 -1.33 0.00 0.00 177.39 176.04 3hjr n ASP 323 N -2.39 -2.83 0.21 -1.43 4.64 -0.54 -5.01 116.55 109.20 3hjr n ASP 323 Ca -0.08 -2.63 0.08 0.00 -1.38 0.00 0.00 54.79 50.79 3hjr n ASP 323 Cb 0.66 1.54 0.43 0.00 -1.04 0.00 0.00 41.12 42.71 3hjr n ASP 323 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3hjr h ALA 324 N 4.46 1.04 -0.45 -1.67 0.00 -1.72 -2.45 119.26 118.48 3hjr h ALA 324 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hjr h ALA 324 Cb 1.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3hjr h ALA 324 CO 0.06 0.34 0.00 -1.13 0.00 0.00 0.00 179.25 178.52 3hjr n SER 325 N -3.48 4.13 -4.00 0.00 3.41 -1.26 -4.89 113.62 107.53 3hjr n SER 325 Ca -0.00 -2.56 -0.29 0.00 -0.26 0.00 0.00 58.87 55.75 3hjr n SER 325 Cb 0.44 -0.49 -0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3hjr n SER 325 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hjr n ASP 327 N -2.85 0.29 -4.19 0.00 10.43 -1.26 -3.74 116.55 115.23 3hjr n ASP 327 Ca -0.10 -0.57 -0.12 0.00 2.57 0.00 0.00 54.79 56.57 3hjr n ASP 327 Cb 0.58 -0.12 -0.10 0.00 1.84 0.00 0.00 41.12 43.32 3hjr n ASP 327 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3hjr s TYR 328 N -2.40 1.01 0.10 1.24 1.51 -1.26 -0.77 117.35 116.78 3hjr s TYR 328 Ca 0.33 -0.81 -0.01 0.00 -1.01 0.00 0.00 57.07 55.57 3hjr s TYR 328 Cb 0.20 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.46 3hjr s TYR 328 CO 0.45 -0.06 0.03 0.54 -1.11 0.00 0.00 175.55 175.39 3hjr s ASN 329 N -2.90 0.38 -0.03 2.29 2.20 0.12 -4.61 114.94 112.38 3hjr s ASN 329 Ca 0.11 -1.10 0.04 0.00 -0.94 0.00 0.00 52.86 50.97 3hjr s ASN 329 Cb 0.02 0.26 0.06 0.00 -2.00 0.00 0.00 41.25 39.59 3hjr s ASN 329 CO -0.02 -0.68 0.99 0.61 -2.94 0.00 0.00 177.10 175.07 3hjr n GLY 330 N -0.01 2.90 0.12 0.45 0.00 -1.26 -1.20 105.19 106.19 3hjr n GLY 330 Ca -0.09 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 45.73 3hjr n GLY 330 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hjr n VAL 331 N -0.64 0.00 -1.77 1.61 0.24 -1.26 -4.09 118.33 112.42 3hjr n VAL 331 Ca 0.03 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.34 61.47 3hjr n VAL 331 Cb 0.35 1.06 -0.00 0.00 -1.47 0.00 0.00 33.84 33.78 3hjr n VAL 331 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 3hjr n MET 332 N -0.34 2.69 -0.78 7.34 0.00 -1.23 -4.73 117.12 120.07 3hjr n MET 332 Ca 0.02 0.95 0.00 0.00 0.00 0.00 0.00 57.70 58.67 3hjr n MET 332 Cb 0.11 -2.69 0.00 0.00 0.00 0.00 0.00 33.22 30.64 3hjr n MET 332 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 3hjr n ASN 333 N 0.71 0.00 0.00 6.12 6.94 -1.26 -0.42 115.26 127.35 3hjr n ASN 333 Ca 0.02 -0.73 0.00 0.00 -0.02 0.00 0.00 54.58 53.86 3hjr n ASN 333 Cb 0.39 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.81 3hjr n ASN 333 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hjr n GLY 334 N 0.00 0.11 0.23 4.83 0.00 -1.19 -2.41 105.19 106.77 3hjr n GLY 334 Ca 0.00 -1.84 0.16 0.00 0.00 0.00 0.00 46.02 44.33 3hjr n GLY 334 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hjr h THR 335 N 0.00 0.00 0.00 2.61 1.35 -1.91 0.16 112.91 115.12 3hjr h THR 335 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 3hjr h THR 335 Cb 0.00 0.68 -0.00 0.00 -1.73 0.00 0.00 68.15 67.09 3hjr h THR 335 CO 0.00 0.00 -0.03 0.28 -0.25 0.00 0.00 175.52 175.52 3hjr h SER 336 N 0.00 0.00 0.01 5.36 0.02 -1.88 -0.88 113.55 116.17 3hjr h SER 336 Ca 0.00 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.57 3hjr h SER 336 Cb 0.02 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.49 3hjr h SER 336 CO 0.00 0.03 -2.42 -1.20 -1.14 0.00 0.00 176.83 172.10 3hjr n SER 337 N -3.33 0.99 0.04 3.07 7.64 0.49 -4.24 113.62 118.29 3hjr n SER 337 Ca -0.02 -0.06 0.10 0.00 1.01 0.00 0.00 58.87 59.90 3hjr n SER 337 Cb 0.16 0.29 0.55 0.00 -1.01 0.00 0.00 64.21 64.20 3hjr n SER 337 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hjr h ALA 338 N 0.50 2.02 0.36 -0.43 0.00 -1.09 -1.93 119.26 118.70 3hjr h ALA 338 Ca -0.56 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 3hjr h ALA 338 Cb 2.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.81 3hjr h ALA 338 CO -0.03 -0.09 -0.17 1.15 0.00 0.00 0.00 179.25 180.11 3hjr h THR 339 N 0.27 0.59 0.00 0.00 2.02 -1.36 -1.34 112.91 113.09 3hjr h THR 339 Ca 0.17 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 3hjr h THR 339 Cb 0.34 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3hjr h THR 339 CO -0.03 0.10 -0.18 1.55 0.37 0.00 0.00 175.52 177.32 3hjr h PRO 340 N -0.83 0.00 -0.70 6.66 0.13 -1.72 0.64 132.00 136.19 3hjr h PRO 340 Ca -0.05 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 3hjr h PRO 340 Cb 0.53 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.63 3hjr h PRO 340 CO 0.08 0.18 0.33 0.77 -0.23 0.00 0.00 178.00 179.13 3hjr h SER 341 N 0.00 0.90 -0.08 1.44 0.02 -1.15 0.10 113.55 114.79 3hjr h SER 341 Ca -0.00 -0.10 -0.17 0.00 -0.84 0.00 0.00 61.79 60.67 3hjr h SER 341 Cb 0.47 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.79 3hjr h SER 341 CO 0.02 0.77 -0.62 0.74 -1.14 0.00 0.00 176.83 176.60 3hjr h THR 342 N 0.99 1.35 -0.66 -2.27 2.02 -0.15 -2.08 112.91 112.12 3hjr h THR 342 Ca 0.24 -1.95 0.03 0.00 0.77 0.00 0.00 66.41 65.51 3hjr h THR 342 Cb 0.11 2.26 -0.04 0.00 -1.74 0.00 0.00 68.15 68.74 3hjr h THR 342 CO -0.03 0.59 0.40 0.28 0.37 0.00 0.00 175.52 177.13 3hjr h SER 343 N 0.17 0.66 -0.19 4.18 0.02 -0.69 0.17 113.55 117.87 3hjr h SER 343 Ca -0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 3hjr h SER 343 Cb 1.28 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 3hjr h SER 343 CO 0.13 0.46 0.07 1.23 -1.14 0.00 0.00 176.83 177.58 3hjr h GLY 344 N 0.79 0.30 0.65 -3.77 0.00 -0.80 -0.72 103.07 99.52 3hjr h GLY 344 Ca 0.27 -0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.49 3hjr h GLY 344 CO -0.11 0.16 0.36 0.00 0.00 0.00 0.00 176.54 176.94 3hjr h ALA 345 N 0.91 0.89 -0.61 3.60 0.00 -0.99 -0.71 119.26 122.34 3hjr h ALA 345 Ca 0.06 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3hjr h ALA 345 Cb 0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3hjr h ALA 345 CO -0.00 0.02 0.18 1.98 0.00 0.00 0.00 179.25 181.42 3hjr h MET 346 N 0.65 0.96 -0.51 0.00 -1.53 -0.47 -1.83 114.93 112.21 3hjr h MET 346 Ca 0.30 -0.21 -0.08 0.00 -3.44 0.00 0.00 59.70 56.27 3hjr h MET 346 Cb 0.21 -0.13 -0.02 0.00 -0.55 0.00 0.00 31.60 31.11 3hjr h MET 346 CO -0.20 0.86 -0.01 0.00 0.14 0.00 0.00 176.91 177.70 3hjr h ALA 347 N 1.06 1.03 0.08 0.39 0.00 -0.54 -0.54 119.26 120.74 3hjr h ALA 347 Ca 0.20 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hjr h ALA 347 Cb 0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hjr h ALA 347 CO -0.00 0.60 -0.13 -0.07 0.00 0.00 0.00 179.25 179.64 3hjr h LEU 348 N 0.80 -0.37 -0.65 0.00 3.38 -0.67 -0.86 115.31 116.94 3hjr h LEU 348 Ca 0.15 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.20 3hjr h LEU 348 Cb 0.49 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 3hjr h LEU 348 CO 0.02 -0.20 0.38 -0.07 0.09 0.00 0.00 178.44 178.67 3hjr h LEU 349 N -0.27 0.61 -1.24 1.67 3.38 -1.07 -2.39 115.31 116.00 3hjr h LEU 349 Ca 0.02 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3hjr h LEU 349 Cb 0.28 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hjr h LEU 349 CO -0.07 0.41 -0.30 0.24 0.09 0.00 0.00 178.44 178.80 3hjr h MET 350 N 0.74 0.13 -0.10 1.13 2.86 -0.96 -0.38 114.93 118.34 3hjr h MET 350 Ca 0.27 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.74 3hjr h MET 350 Cb 0.08 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3hjr h MET 350 CO -0.13 0.42 -0.49 0.66 1.06 0.00 0.00 176.91 178.43 3hjr h SER 351 N 0.11 0.28 0.52 1.22 4.64 -0.69 -2.06 113.55 117.57 3hjr h SER 351 Ca 0.02 -0.14 -0.29 0.00 -0.47 0.00 0.00 61.79 60.91 3hjr h SER 351 Cb 0.60 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3hjr h SER 351 CO 0.04 0.73 -1.30 0.00 -0.87 0.00 0.00 176.83 175.43 3hjr h ALA 352 N 1.28 0.03 -2.17 5.18 0.00 -1.00 -3.41 119.26 119.17 3hjr h ALA 352 Ca 0.01 -0.87 -0.58 0.00 0.00 0.00 0.00 54.91 53.47 3hjr h ALA 352 Cb 0.95 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.40 3hjr h ALA 352 CO 0.08 0.89 -0.93 0.66 0.00 0.00 0.00 179.25 179.95 3hjr n TYR 353 N -3.59 0.78 -1.08 0.00 4.01 -0.19 -5.11 117.16 111.98 3hjr n TYR 353 Ca -0.11 -3.72 -0.30 0.00 -0.16 0.00 0.00 57.90 53.61 3hjr n TYR 353 Cb 1.04 -0.33 0.14 0.00 -0.31 0.00 0.00 39.34 39.88 3hjr n TYR 353 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3hjr s PRO 354 N -1.35 1.21 0.00 -0.72 0.04 -0.78 -2.85 135.00 130.55 3hjr s PRO 354 Ca 0.35 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.38 3hjr s PRO 354 Cb 0.13 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.88 3hjr s PRO 354 CO -0.10 -2.32 0.00 -0.25 0.04 0.00 0.00 177.00 174.36 3hjr n ASP 355 N -3.96 -5.15 -4.84 6.66 8.00 -1.26 -4.96 116.55 111.04 3hjr n ASP 355 Ca 0.08 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.22 3hjr n ASP 355 Cb 0.54 -2.85 -0.06 0.00 -0.02 0.00 0.00 41.12 38.74 3hjr n ASP 355 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hjr s LEU 356 N 0.00 4.35 0.90 0.64 1.43 -1.13 -5.10 118.68 119.76 3hjr s LEU 356 Ca 0.00 1.12 -0.12 0.00 -1.03 0.00 0.00 54.13 54.11 3hjr s LEU 356 Cb 0.00 -3.28 0.13 0.00 0.03 0.00 0.00 46.19 43.07 3hjr s LEU 356 CO 0.00 0.10 1.09 -0.94 0.23 0.00 0.00 176.35 176.84 3hjr s SER 357 N -1.68 3.47 0.20 2.29 1.04 -1.26 -4.84 113.70 112.92 3hjr s SER 357 Ca 0.38 1.41 -0.09 0.00 0.48 0.00 0.00 55.95 58.13 3hjr s SER 357 Cb -0.15 -2.09 0.12 0.00 0.10 0.00 0.00 66.02 63.99 3hjr s SER 357 CO 0.19 -2.63 1.72 0.58 0.98 0.00 0.00 173.24 174.09 3hjr h VAL 358 N -1.54 1.26 -0.32 5.02 2.07 -1.87 -1.17 116.25 119.71 3hjr h VAL 358 Ca -0.50 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 3hjr h VAL 358 Cb 1.29 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3hjr h VAL 358 CO 0.56 0.36 0.07 0.03 0.02 0.00 0.00 177.57 178.61 3hjr h ARG 359 N 1.07 0.46 -0.33 1.57 3.08 -1.93 0.53 114.38 118.83 3hjr h ARG 359 Ca 0.23 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 3hjr h ARG 359 Cb 0.34 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 3hjr h ARG 359 CO -0.00 0.43 -0.36 -0.44 -1.07 0.00 0.00 179.97 178.53 3hjr h ASP 360 N 0.45 0.88 -0.73 7.04 3.45 -1.74 -1.19 116.42 124.59 3hjr h ASP 360 Ca 0.11 -0.48 -0.05 0.00 0.43 0.00 0.00 57.03 57.04 3hjr h ASP 360 Cb 0.19 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.68 3hjr h ASP 360 CO -0.00 1.18 0.27 -0.07 -1.57 0.00 0.00 179.24 179.05 3hjr h LEU 361 N 0.60 1.02 -0.63 1.55 3.38 -0.77 -0.44 115.31 120.02 3hjr h LEU 361 Ca 0.05 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.86 3hjr h LEU 361 Cb 0.94 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3hjr h LEU 361 CO 0.09 0.93 0.39 0.03 0.09 0.00 0.00 178.44 179.97 3hjr h ARG 362 N 1.06 0.75 -0.63 1.13 3.08 -0.79 -0.90 114.38 118.08 3hjr h ARG 362 Ca 0.24 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 3hjr h ARG 362 Cb 0.24 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3hjr h ARG 362 CO -0.02 0.49 0.28 0.22 -1.07 0.00 0.00 179.97 179.87 3hjr h ASP 363 N 0.77 0.85 -0.45 7.04 3.58 -0.53 0.12 116.42 127.79 3hjr h ASP 363 Ca 0.25 -0.15 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 3hjr h ASP 363 Cb 0.02 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 3hjr h ASP 363 CO -0.10 0.76 0.04 -0.07 -2.88 0.00 0.00 179.24 176.99 3hjr h LEU 364 N 0.87 0.75 -0.44 2.28 3.38 -0.88 -0.50 115.31 120.77 3hjr h LEU 364 Ca 0.21 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3hjr h LEU 364 Cb 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3hjr h LEU 364 CO -0.02 0.85 0.12 -0.07 0.09 0.00 0.00 178.44 179.41 3hjr h LEU 365 N 0.63 0.66 -0.16 1.67 3.38 -0.81 -1.55 115.31 119.14 3hjr h LEU 365 Ca 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3hjr h LEU 365 Cb 0.44 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3hjr h LEU 365 CO 0.02 0.71 0.06 0.00 0.09 0.00 0.00 178.44 179.32 3hjr h ALA 366 N 0.98 0.21 0.00 1.53 0.00 -0.65 -1.95 119.26 119.38 3hjr h ALA 366 Ca 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hjr h ALA 366 Cb 0.30 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hjr h ALA 366 CO -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 179.25 179.01 3hjr h ARG 367 N 0.10 0.00 -0.01 0.00 3.08 -1.01 -3.01 114.38 113.53 3hjr h ARG 367 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3hjr h ARG 367 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3hjr h ARG 367 CO -0.00 0.05 -0.60 -1.13 -1.07 0.00 0.00 179.97 177.22 3hjr n SER 368 N -3.14 1.45 -4.74 7.04 3.41 -0.59 -5.00 113.62 112.04 3hjr n SER 368 Ca 0.01 -1.16 -0.36 0.00 -0.26 0.00 0.00 58.87 57.10 3hjr n SER 368 Cb 0.39 0.56 0.05 0.00 -0.26 0.00 0.00 64.21 64.95 3hjr n SER 368 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hjr s ALA 369 N -2.68 2.45 -0.04 7.33 0.00 -0.74 -4.36 121.76 123.72 3hjr s ALA 369 Ca 0.16 1.07 -0.16 0.00 0.00 0.00 0.00 51.96 53.02 3hjr s ALA 369 Cb 0.18 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 3hjr s ALA 369 CO 0.66 -1.37 0.43 0.99 0.00 0.00 0.00 175.76 176.47 3hjr s THR 370 N -1.56 5.07 -1.33 0.00 2.01 0.30 -4.77 115.64 115.37 3hjr s THR 370 Ca 0.79 0.87 -0.11 0.00 0.31 0.00 0.00 61.69 63.54 3hjr s THR 370 Cb -0.33 -3.74 0.13 0.00 0.01 0.00 0.00 72.50 68.57 3hjr s THR 370 CO 0.36 0.50 1.94 -1.14 -0.69 0.00 0.00 174.62 175.60 3hjr n ARG 371 N 2.42 3.38 -1.64 4.92 0.63 -1.26 -1.04 116.66 124.07 3hjr n ARG 371 Ca -0.12 -3.28 -0.33 0.00 -0.92 0.00 0.00 57.85 53.20 3hjr n ARG 371 Cb 0.52 -3.05 0.06 0.00 0.45 0.00 0.00 32.46 30.44 3hjr n ARG 371 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3hjr s VAL 372 N 1.35 3.03 -1.33 5.15 -7.23 -1.26 -3.78 120.40 116.32 3hjr s VAL 372 Ca 0.42 0.47 -0.00 0.00 -1.81 0.00 0.00 61.98 61.06 3hjr s VAL 372 Cb 0.10 -2.99 -0.00 0.00 0.56 0.00 0.00 36.38 34.05 3hjr s VAL 372 CO -0.02 -0.30 0.61 -0.67 -0.31 0.00 0.00 175.10 174.41 3hjr n ASP 373 N -2.57 -0.94 0.24 4.85 4.64 -1.26 -4.82 116.55 116.69 3hjr n ASP 373 Ca 0.11 -0.88 0.09 0.00 -1.38 0.00 0.00 54.79 52.73 3hjr n ASP 373 Cb 0.52 -3.72 0.60 0.00 -1.04 0.00 0.00 41.12 37.48 3hjr n ASP 373 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3hjr h ALA 374 N 0.85 1.43 -0.75 -1.67 0.00 -1.96 -2.55 119.26 114.61 3hjr h ALA 374 Ca -0.62 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3hjr h ALA 374 Cb 1.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3hjr h ALA 374 CO 0.58 0.22 0.00 1.63 0.00 0.00 0.00 179.25 181.68 3hjr n LYS 375 N -3.92 2.78 -1.76 0.00 5.02 -1.26 -4.66 118.16 114.36 3hjr n LYS 375 Ca -0.02 -2.70 -0.41 0.00 -2.02 0.00 0.00 58.31 53.16 3hjr n LYS 375 Cb 0.26 -1.60 -0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3hjr n LYS 375 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 3hjr n HIS 376 N 1.66 2.91 -2.93 2.13 1.44 -0.96 -4.95 115.22 114.52 3hjr n HIS 376 Ca 0.25 0.42 -0.29 0.00 -2.01 0.00 0.00 57.72 56.09 3hjr n HIS 376 Cb 0.64 -2.54 -0.02 0.00 0.12 0.00 0.00 29.99 28.20 3hjr n HIS 376 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 3hjr s GLN 377 N -1.77 3.65 0.62 -1.40 -1.52 -1.26 -4.22 119.66 113.76 3hjr s GLN 377 Ca 0.55 0.23 -0.18 0.00 -1.95 0.00 0.00 55.36 54.02 3hjr s GLN 377 Cb -0.49 -2.46 -0.02 0.00 -0.22 0.00 0.00 33.01 29.82 3hjr s GLN 377 CO 0.61 -0.02 1.22 -1.25 -0.25 0.00 0.00 175.29 175.60 3hjr s PRO 378 N -4.09 2.77 -0.39 2.91 0.04 -1.26 -4.40 135.00 130.58 3hjr s PRO 378 Ca 0.48 1.86 -0.18 0.00 0.04 0.00 0.00 61.00 63.20 3hjr s PRO 378 Cb -0.10 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.55 3hjr s PRO 378 CO 0.35 -1.38 0.48 0.08 0.04 0.00 0.00 177.00 176.58 3hjr s VAL 379 N -1.62 5.03 0.14 -0.36 1.01 0.07 -4.91 120.40 119.75 3hjr s VAL 379 Ca 0.78 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.68 3hjr s VAL 379 Cb -0.32 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 3hjr s VAL 379 CO 0.36 -0.32 0.48 -0.04 0.00 0.00 0.00 175.10 175.58 3hjr s MET 380 N 2.32 3.83 -0.21 2.72 -1.94 -1.26 -0.41 119.30 124.34 3hjr s MET 380 Ca 0.16 0.28 -0.02 0.00 -1.71 0.00 0.00 55.69 54.40 3hjr s MET 380 Cb -0.16 -2.90 0.00 0.00 2.01 0.00 0.00 34.83 33.79 3hjr s MET 380 CO 0.14 0.48 -0.09 0.08 -0.01 0.00 0.00 175.02 175.62 3hjr s VAL 381 N -1.52 2.93 -0.08 -6.03 1.01 0.33 -4.81 120.40 112.23 3hjr s VAL 381 Ca 0.38 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3hjr s VAL 381 Cb -0.14 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 3hjr s VAL 381 CO 0.20 0.43 -0.03 -0.55 0.00 0.00 0.00 175.10 175.15 3hjr s SER 382 N 1.41 4.99 0.04 3.32 0.15 -1.26 -1.64 113.70 120.71 3hjr s SER 382 Ca 0.05 0.07 -0.27 0.00 0.70 0.00 0.00 55.95 56.50 3hjr s SER 382 Cb -0.14 -1.36 0.07 0.00 -1.71 0.00 0.00 66.02 62.88 3hjr s SER 382 CO -0.06 0.36 0.67 -0.72 1.20 0.00 0.00 173.24 174.69 3hjr s TYR 383 N -0.81 -0.57 -0.22 3.44 -0.85 -0.85 -5.01 117.35 112.48 3hjr s TYR 383 Ca 0.12 0.69 -0.24 0.00 -0.52 0.00 0.00 57.07 57.12 3hjr s TYR 383 Cb -0.11 0.49 -0.01 0.00 0.38 0.00 0.00 41.96 42.71 3hjr s TYR 383 CO 0.02 -0.70 0.80 -0.08 -1.52 0.00 0.00 175.55 174.06 3hjr s THR 384 N -2.47 4.87 1.02 -3.49 -1.32 -1.26 -1.25 115.64 111.74 3hjr s THR 384 Ca -0.04 1.52 -0.15 0.00 -1.21 0.00 0.00 61.69 61.81 3hjr s THR 384 Cb -0.01 -4.09 0.20 0.00 -1.51 0.00 0.00 72.50 67.09 3hjr s THR 384 CO -0.02 -0.02 1.15 -0.94 -2.21 0.00 0.00 174.62 172.58 3hjr s SER 385 N 1.29 2.52 0.52 8.08 1.04 0.92 -4.88 113.70 123.19 3hjr s SER 385 Ca 0.35 0.78 0.35 0.00 0.48 0.00 0.00 55.95 57.91 3hjr s SER 385 Cb -0.16 -1.19 1.62 0.00 0.10 0.00 0.00 66.02 66.40 3hjr s SER 385 CO 0.09 -3.15 2.04 0.77 0.98 0.00 0.00 173.24 173.97 3hjr h SER 386 N -1.91 0.00 -0.48 7.02 4.64 -0.92 -1.38 113.55 120.52 3hjr h SER 386 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3hjr h SER 386 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3hjr h SER 386 CO 0.49 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.80 3hjr n THR 387 N -2.89 0.94 -0.08 2.95 -2.24 -1.26 -4.97 114.28 106.73 3hjr n THR 387 Ca -0.00 -0.97 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 3hjr n THR 387 Cb 0.20 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 3hjr n THR 387 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hjr n GLY 388 N 0.99 0.56 3.75 3.38 0.00 -0.52 -5.07 105.19 108.28 3hjr n GLY 388 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3hjr n GLY 388 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjr s LYS 389 N -0.92 4.20 -0.00 1.61 1.02 -1.26 -4.78 119.74 119.61 3hjr s LYS 389 Ca 0.00 0.23 -0.30 0.00 0.02 0.00 0.00 55.97 55.92 3hjr s LYS 389 Cb 0.00 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 3hjr s LYS 389 CO 0.00 0.30 1.16 0.08 -0.92 0.00 0.00 175.35 175.97 3hjr s VAL 390 N 0.25 4.26 0.09 3.17 1.01 -1.26 -0.06 120.40 127.86 3hjr s VAL 390 Ca 0.20 1.61 0.06 0.00 0.00 0.00 0.00 61.98 63.85 3hjr s VAL 390 Cb -0.14 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 3hjr s VAL 390 CO 0.07 0.07 -0.05 -0.13 0.00 0.00 0.00 175.10 175.05 3hjr s ARG 391 N 1.60 2.35 -0.24 2.72 0.52 -0.38 -4.92 118.95 120.59 3hjr s ARG 391 Ca 0.56 -0.91 -0.02 0.00 -0.52 0.00 0.00 55.73 54.84 3hjr s ARG 391 Cb -0.26 -2.43 0.07 0.00 0.52 0.00 0.00 34.95 32.86 3hjr s ARG 391 CO 0.25 0.53 0.05 0.34 0.02 0.00 0.00 175.30 176.49 3hjr s ASP 392 N -2.17 3.42 0.22 0.23 2.15 -1.26 -2.01 116.67 117.25 3hjr s ASP 392 Ca 0.23 -1.15 0.12 0.00 0.43 0.00 0.00 52.55 52.17 3hjr s ASP 392 Cb -0.11 -0.75 -0.05 0.00 -0.30 0.00 0.00 42.92 41.71 3hjr s ASP 392 CO 0.15 -0.34 -0.23 0.68 -0.17 0.00 0.00 175.17 175.26 3hjr s VAL 393 N 1.73 2.38 0.12 1.11 -7.23 -0.65 -4.94 120.40 112.92 3hjr s VAL 393 Ca 0.02 -2.13 -0.31 0.00 -1.81 0.00 0.00 61.98 57.75 3hjr s VAL 393 Cb -0.17 -2.17 -0.07 0.00 0.56 0.00 0.00 36.38 34.52 3hjr s VAL 393 CO -0.14 -0.19 1.28 -0.54 -0.31 0.00 0.00 175.10 175.20 3hjr s LYS 394 N -2.89 4.39 -0.11 4.82 1.02 -1.26 -0.51 119.74 125.20 3hjr s LYS 394 Ca 0.23 1.94 0.19 0.00 0.02 0.00 0.00 55.97 58.35 3hjr s LYS 394 Cb -0.07 -3.27 -0.26 0.00 -0.52 0.00 0.00 37.83 33.71 3hjr s LYS 394 CO 0.11 -0.29 0.31 0.41 -0.92 0.00 0.00 175.35 174.97 3hjr n GLY 395 N 3.01 -1.03 3.21 -3.33 0.00 0.45 -4.82 105.19 102.68 3hjr n GLY 395 Ca 0.09 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 3hjr n GLY 395 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hjr s LEU 396 N -5.30 0.11 0.67 0.99 2.96 -1.00 -4.48 118.68 112.63 3hjr s LEU 396 Ca -0.08 0.78 -0.12 0.00 -0.22 0.00 0.00 54.13 54.49 3hjr s LEU 396 Cb 0.09 1.17 -0.00 0.00 0.50 0.00 0.00 46.19 47.94 3hjr s LEU 396 CO 0.85 -0.18 1.06 -1.61 -1.32 0.00 0.00 176.35 175.14 3hjr s GLU 397 N 1.26 3.07 0.00 1.98 8.01 -1.26 -0.75 118.70 131.00 3hjr s GLU 397 Ca -0.09 0.97 0.00 0.00 0.01 0.00 0.00 54.97 55.87 3hjr s GLU 397 Cb -0.08 -2.01 0.00 0.00 -4.31 0.00 0.00 34.13 27.73 3hjr s GLU 397 CO -0.10 -1.00 0.00 0.41 0.01 0.00 0.00 175.26 174.58 3hjr n GLY 398 N -1.90 1.44 3.74 -1.39 0.00 -1.26 -4.58 105.19 101.25 3hjr n GLY 398 Ca 0.08 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 3hjr n GLY 398 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hjr s TRP 399 N 1.81 3.38 -0.01 1.61 0.52 -1.26 -4.56 118.94 120.43 3hjr s TRP 399 Ca 0.00 1.42 -0.04 0.00 0.02 0.00 0.00 56.10 57.50 3hjr s TRP 399 Cb 0.00 -3.47 -0.00 0.00 -1.15 0.00 0.00 33.47 28.85 3hjr s TRP 399 CO 0.00 -1.31 0.08 -1.21 0.02 0.00 0.00 176.95 174.52 3hjr s GLU 400 N -0.49 0.27 -0.20 4.98 2.02 -0.69 -4.98 118.70 119.60 3hjr s GLU 400 Ca 0.52 -0.21 -0.08 0.00 0.02 0.00 0.00 54.97 55.22 3hjr s GLU 400 Cb -0.34 0.11 -0.04 0.00 0.10 0.00 0.00 34.13 33.96 3hjr s GLU 400 CO 0.39 -0.05 0.07 0.50 0.02 0.00 0.00 175.26 176.19 3hjr s ARG 401 N -0.76 3.91 1.01 1.61 3.52 -1.26 -1.10 118.95 125.88 3hjr s ARG 401 Ca -0.08 -0.37 -0.17 0.00 -0.13 0.00 0.00 55.73 54.98 3hjr s ARG 401 Cb -0.05 -3.26 0.23 0.00 -1.56 0.00 0.00 34.95 30.31 3hjr s ARG 401 CO 0.00 0.15 1.29 0.27 -0.81 0.00 0.00 175.30 176.20 3hjr n ASN 402 N 3.90 -0.21 0.28 -2.12 0.23 -0.03 -4.89 115.26 112.41 3hjr n ASN 402 Ca -0.16 -1.43 0.17 0.00 -0.53 0.00 0.00 54.58 52.63 3hjr n ASN 402 Cb 0.52 -1.01 0.70 0.00 -2.08 0.00 0.00 39.78 37.92 3hjr n ASN 402 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hjr h ALA 403 N -1.93 1.00 -0.02 -2.53 0.00 -1.91 -2.06 119.26 111.82 3hjr h ALA 403 Ca -0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3hjr h ALA 403 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hjr h ALA 403 CO 0.30 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.55 3hjr n ALA 404 N -2.09 2.59 -0.26 0.00 0.00 -1.26 -4.95 120.51 114.53 3hjr n ALA 404 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3hjr n ALA 404 Cb 0.30 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3hjr n ALA 404 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hjr n GLY 405 N 1.14 0.67 3.71 0.00 0.00 -0.77 -5.00 105.19 104.94 3hjr n GLY 405 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3hjr n GLY 405 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hjr s MET 406 N -0.74 4.45 0.12 1.61 -1.94 -1.26 -4.75 119.30 116.79 3hjr s MET 406 Ca 0.00 1.09 -0.25 0.00 -1.71 0.00 0.00 55.69 54.82 3hjr s MET 406 Cb 0.00 -3.48 -0.07 0.00 2.01 0.00 0.00 34.83 33.29 3hjr s MET 406 CO 0.00 -0.05 0.77 -1.58 -0.01 0.00 0.00 175.02 174.15 3hjr s TRP 407 N 1.14 3.84 -0.05 -0.03 0.52 -1.26 -0.85 118.94 122.24 3hjr s TRP 407 Ca 0.43 1.58 -0.14 0.00 0.02 0.00 0.00 56.10 57.98 3hjr s TRP 407 Cb -0.19 -2.79 0.03 0.00 -1.15 0.00 0.00 33.47 29.37 3hjr s TRP 407 CO 0.20 0.42 0.33 0.12 0.02 0.00 0.00 176.95 178.05 3hjr s PHE 408 N -0.73 -0.26 0.01 -1.98 5.36 -0.25 -4.58 117.98 115.54 3hjr s PHE 408 Ca 0.37 0.51 -0.02 0.00 -0.96 0.00 0.00 56.93 56.83 3hjr s PHE 408 Cb -0.22 0.12 -0.01 0.00 -0.34 0.00 0.00 43.02 42.56 3hjr s PHE 408 CO 0.25 -0.33 0.02 -1.54 -1.46 0.00 0.00 175.22 172.16 3hjr s SER 409 N -0.82 0.13 0.55 6.13 1.04 -0.30 -1.71 113.70 118.71 3hjr s SER 409 Ca -0.09 -0.30 0.35 0.00 0.48 0.00 0.00 55.95 56.39 3hjr s SER 409 Cb -0.04 0.12 1.54 0.00 0.10 0.00 0.00 66.02 67.73 3hjr s SER 409 CO 0.03 -0.25 2.03 1.55 0.98 0.00 0.00 173.24 177.59 3hjr h PRO 410 N 4.91 0.00 0.08 4.02 0.13 -1.81 0.28 132.00 139.61 3hjr h PRO 410 Ca -0.30 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.70 3hjr h PRO 410 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 3hjr h PRO 410 CO 0.43 0.00 -0.55 1.15 -0.23 0.00 0.00 178.00 178.80 3hjr h THR 411 N 0.00 1.57 -0.09 1.56 2.02 -1.86 -2.01 112.91 114.11 3hjr h THR 411 Ca 0.00 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.80 3hjr h THR 411 Cb 0.40 3.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.95 3hjr h THR 411 CO 0.00 0.66 0.00 -1.22 0.37 0.00 0.00 175.52 175.33 3hjr n TYR 412 N -4.29 0.10 -1.56 3.16 4.02 -1.19 -4.72 117.16 112.68 3hjr n TYR 412 Ca -0.12 -0.14 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 3hjr n TYR 412 Cb 0.70 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.01 3hjr n TYR 412 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hjr n GLY 413 N 0.44 3.41 0.08 2.72 0.00 0.99 -0.98 105.19 111.84 3hjr n GLY 413 Ca 0.06 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.02 3hjr n GLY 413 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hjr n PHE 414 N 13.98 0.61 0.00 1.61 3.72 -0.56 -1.16 117.46 135.67 3hjr n PHE 414 Ca 0.00 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 3hjr n PHE 414 Cb 0.00 -0.82 0.00 0.00 -0.94 0.00 0.00 39.48 37.72 3hjr n PHE 414 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hjr n GLY 415 N 0.90 0.85 3.73 1.37 0.00 -0.16 -4.61 105.19 107.27 3hjr n GLY 415 Ca 0.05 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 3hjr n GLY 415 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hjr s LEU 416 N 0.00 4.49 0.15 0.99 2.96 -0.21 -1.04 118.68 126.02 3hjr s LEU 416 Ca 0.00 1.77 -0.34 0.00 -0.22 0.00 0.00 54.13 55.35 3hjr s LEU 416 Cb 0.00 -3.58 -0.16 0.00 0.50 0.00 0.00 46.19 42.96 3hjr s LEU 416 CO 0.00 -0.08 1.25 -0.38 -1.32 0.00 0.00 176.35 175.82 3hjr n ILE 417 N 2.88 0.62 -3.80 6.68 5.41 -0.95 -0.54 119.36 129.66 3hjr n ILE 417 Ca 0.02 -0.16 -0.30 0.00 1.00 0.00 0.00 62.75 63.32 3hjr n ILE 417 Cb 0.49 -0.92 -0.14 0.00 -0.71 0.00 0.00 39.64 38.36 3hjr n ILE 417 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hjr s ASP 418 N 0.19 4.02 0.12 4.38 3.68 -1.26 -4.35 116.67 123.45 3hjr s ASP 418 Ca 0.76 -2.33 -0.17 0.00 2.13 0.00 0.00 52.55 52.94 3hjr s ASP 418 Cb -0.85 -1.16 -0.03 0.00 -1.45 0.00 0.00 42.92 39.43 3hjr s ASP 418 CO 0.50 -0.32 1.69 0.58 0.13 0.00 0.00 175.17 177.75 3hjr h VAL 419 N 5.84 1.16 -0.36 1.11 2.07 -1.05 -1.07 116.25 123.95 3hjr h VAL 419 Ca -0.06 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.03 3hjr h VAL 419 Cb 0.96 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3hjr h VAL 419 CO 0.51 0.17 0.12 0.78 0.02 0.00 0.00 177.57 179.17 3hjr h ASN 420 N 0.39 0.13 -0.06 0.57 2.35 -1.05 -0.59 115.58 117.32 3hjr h ASN 420 Ca 0.11 0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.77 3hjr h ASN 420 Cb 0.13 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3hjr h ASN 420 CO -0.01 0.11 -0.38 0.50 -1.65 0.00 0.00 177.43 176.00 3hjr h LYS 421 N 0.27 0.57 -0.78 0.81 3.64 -1.78 -1.87 116.57 117.42 3hjr h LYS 421 Ca 0.16 -0.28 0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3hjr h LYS 421 Cb 0.14 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 3hjr h LYS 421 CO -0.17 0.86 0.49 0.00 -2.27 0.00 0.00 179.45 178.36 3hjr h ALA 422 N 1.11 1.05 -0.26 5.00 0.00 -0.76 -0.07 119.26 125.33 3hjr h ALA 422 Ca 0.05 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3hjr h ALA 422 Cb 0.87 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hjr h ALA 422 CO 0.07 0.27 -0.28 -0.07 0.00 0.00 0.00 179.25 179.24 3hjr h LEU 423 N 0.93 0.52 -0.58 0.00 3.38 -0.75 -0.14 115.31 118.67 3hjr h LEU 423 Ca 0.33 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3hjr h LEU 423 Cb 0.07 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3hjr h LEU 423 CO -0.14 0.78 0.23 -0.08 0.09 0.00 0.00 178.44 179.33 3hjr h GLU 424 N 0.45 0.86 -0.09 1.13 4.81 -0.64 -2.70 114.58 118.40 3hjr h GLU 424 Ca 0.06 -0.15 -0.14 0.00 -0.13 0.00 0.00 59.36 59.00 3hjr h GLU 424 Cb 0.71 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3hjr h GLU 424 CO 0.05 0.74 -0.54 -0.07 -0.73 0.00 0.00 179.01 178.46 3hjr h LEU 425 N 0.79 0.30 -1.26 1.64 4.07 -0.67 -3.15 115.31 117.04 3hjr h LEU 425 Ca 0.19 -0.16 -0.07 0.00 0.08 0.00 0.00 57.88 57.92 3hjr h LEU 425 Cb 0.20 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 3hjr h LEU 425 CO -0.02 0.79 -0.27 0.00 -1.08 0.00 0.00 178.44 177.86 3hjr h ALA 426 N 1.22 1.38 -0.98 1.53 0.00 -0.71 -2.76 119.26 118.94 3hjr h ALA 426 Ca 0.00 -0.29 0.22 0.00 0.00 0.00 0.00 54.91 54.84 3hjr h ALA 426 Cb 1.02 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 3hjr h ALA 426 CO 0.09 0.44 0.63 0.00 0.00 0.00 0.00 179.25 180.40 3hjr h ALA 427 N 1.58 2.08 0.00 0.00 0.00 -1.47 -2.51 119.26 118.94 3hjr h ALA 427 Ca 0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hjr h ALA 427 Cb 0.56 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3hjr h ALA 427 CO 0.04 -0.42 -0.12 0.09 0.00 0.00 0.00 179.25 178.83 3hjr n ASN 428 N -4.61 1.82 -4.73 0.00 3.02 -1.16 -5.05 115.26 104.54 3hjr n ASN 428 Ca 0.22 -2.86 -0.42 0.00 -0.03 0.00 0.00 54.58 51.50 3hjr n ASN 428 Cb 0.73 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 39.49 3hjr n ASN 428 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3hjr s HIS 429 N -2.24 3.10 -0.24 3.10 2.46 -0.95 -5.01 115.29 115.53 3hjr s HIS 429 Ca 0.25 0.92 -0.10 0.00 0.47 0.00 0.00 55.06 56.60 3hjr s HIS 429 Cb 0.22 -3.80 -0.05 0.00 -0.13 0.00 0.00 32.58 28.82 3hjr s HIS 429 CO 0.02 -2.73 0.16 -1.14 -2.47 0.00 0.00 174.74 168.58 3hjr s GLN 430 N 0.36 4.08 0.42 2.88 2.00 -1.26 -5.05 119.66 123.09 3hjr s GLN 430 Ca 0.63 -0.26 -0.24 0.00 -2.00 0.00 0.00 55.36 53.49 3hjr s GLN 430 Cb -0.41 -3.53 -0.11 0.00 0.80 0.00 0.00 33.01 29.77 3hjr s GLN 430 CO 0.37 0.09 0.93 -2.30 -0.50 0.00 0.00 175.29 173.87 3hjr n PRO 431 N 4.20 1.19 -1.87 1.67 -0.02 -1.26 -4.94 135.00 133.98 3hjr n PRO 431 Ca -0.15 0.43 -0.35 0.00 -2.02 0.00 0.00 63.50 61.41 3hjr n PRO 431 Cb 0.52 -1.94 0.04 0.00 -0.02 0.00 0.00 33.50 32.10 3hjr n PRO 431 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hjr s LEU 432 N -0.17 3.53 0.93 2.45 1.43 -1.26 -5.01 118.68 120.58 3hjr s LEU 432 Ca 0.64 2.23 -0.12 0.00 -1.03 0.00 0.00 54.13 55.85 3hjr s LEU 432 Cb -0.57 -4.58 0.09 0.00 0.03 0.00 0.00 46.19 41.16 3hjr s LEU 432 CO 0.57 -1.67 0.77 -2.65 0.23 0.00 0.00 176.35 173.59 3hjr n PRO 433 N -2.00 -0.35 -1.57 1.29 -0.02 -1.26 -4.93 135.00 126.16 3hjr n PRO 433 Ca 0.12 -0.05 -0.37 0.00 -2.02 0.00 0.00 63.50 61.19 3hjr n PRO 433 Cb 0.51 -2.11 0.07 0.00 -0.02 0.00 0.00 33.50 31.95 3hjr n PRO 433 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3hjr n PRO 434 N -2.89 0.85 -1.81 0.52 -0.02 -1.26 -4.88 135.00 125.50 3hjr n PRO 434 Ca 0.09 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 3hjr n PRO 434 Cb 0.53 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 3hjr n PRO 434 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3hjr s LEU 435 N -3.63 4.36 -0.15 2.45 2.96 -1.26 -4.55 118.68 118.87 3hjr s LEU 435 Ca 0.79 2.83 0.01 0.00 -0.22 0.00 0.00 54.13 57.53 3hjr s LEU 435 Cb -0.37 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.70 3hjr s LEU 435 CO 0.45 -0.90 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.73 3hjr s VAL 436 N 0.63 2.63 -0.40 1.68 1.01 0.82 -5.00 120.40 121.78 3hjr s VAL 436 Ca 0.68 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 3hjr s VAL 436 Cb -0.47 -2.10 0.09 0.00 0.00 0.00 0.00 36.38 33.89 3hjr s VAL 436 CO 0.39 0.52 0.21 -1.10 0.00 0.00 0.00 175.10 175.12 3hjr s GLN 437 N 0.76 2.40 0.43 2.72 -0.21 -1.26 -0.99 119.66 123.51 3hjr s GLN 437 Ca -0.06 -1.55 -0.24 0.00 0.02 0.00 0.00 55.36 53.53 3hjr s GLN 437 Cb -0.15 -3.65 -0.08 0.00 1.00 0.00 0.00 33.01 30.13 3hjr s GLN 437 CO 0.01 -0.95 1.17 -0.51 -2.12 0.00 0.00 175.29 172.88 3hjr s LEU 438 N 1.32 4.10 0.50 2.90 1.43 -0.38 -4.96 118.68 123.59 3hjr s LEU 438 Ca 0.03 2.33 -0.22 0.00 -1.03 0.00 0.00 54.13 55.24 3hjr s LEU 438 Cb -0.23 -4.13 -0.07 0.00 0.03 0.00 0.00 46.19 41.79 3hjr s LEU 438 CO -0.00 -0.80 1.16 -2.65 0.23 0.00 0.00 176.35 174.29 3hjr n PRO 439 N -0.21 1.48 -1.73 1.29 -0.02 -1.26 -4.42 135.00 130.14 3hjr n PRO 439 Ca 0.06 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 3hjr n PRO 439 Cb 0.47 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 3hjr n PRO 439 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3hjr n TRP 440 N -0.87 2.59 -3.94 6.00 7.02 -1.26 -4.76 117.44 122.21 3hjr n TRP 440 Ca 0.10 0.44 -0.35 0.00 -1.02 0.00 0.00 57.50 56.67 3hjr n TRP 440 Cb 0.43 -2.49 -0.14 0.00 -2.42 0.00 0.00 31.31 26.68 3hjr n TRP 440 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 3hjr s GLN 441 N -1.41 2.94 -0.17 -0.99 -0.21 -0.46 -4.93 119.66 114.43 3hjr s GLN 441 Ca 0.59 -0.91 -0.05 0.00 0.02 0.00 0.00 55.36 55.00 3hjr s GLN 441 Cb -0.54 -3.01 -0.03 0.00 1.00 0.00 0.00 33.01 30.43 3hjr s GLN 441 CO 0.58 -0.37 0.00 0.21 -2.12 0.00 0.00 175.29 173.59 3hjr s LYS 442 N 1.36 3.80 -0.19 2.91 2.20 -1.26 -0.78 119.74 127.78 3hjr s LYS 442 Ca 0.01 -0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 55.14 3hjr s LYS 442 Cb -0.16 -3.04 -0.02 0.00 -1.51 0.00 0.00 37.83 33.10 3hjr s LYS 442 CO -0.04 0.26 -0.03 0.42 -0.36 0.00 0.00 175.35 175.60 3hjr s ILE 443 N 0.36 3.67 -0.46 5.43 -1.09 0.16 -5.00 121.20 124.27 3hjr s ILE 443 Ca -0.01 -0.41 -0.15 0.00 -2.23 0.00 0.00 60.65 57.84 3hjr s ILE 443 Cb -0.13 -2.65 0.06 0.00 -1.58 0.00 0.00 42.46 38.16 3hjr s ILE 443 CO 0.02 0.44 0.37 0.20 -1.23 0.00 0.00 174.94 174.75 3hjr s ASN 444 N 1.00 6.14 0.08 3.58 0.01 -1.26 -1.81 114.94 122.68 3hjr s ASN 444 Ca 0.01 -1.24 -0.21 0.00 -0.71 0.00 0.00 52.86 50.71 3hjr s ASN 444 Cb -0.15 -2.18 -0.07 0.00 0.41 0.00 0.00 41.25 39.27 3hjr s ASN 444 CO 0.01 -0.60 0.63 0.68 -1.51 0.00 0.00 177.10 176.31 3hjr s VAL 445 N 1.65 4.67 0.30 1.60 -7.23 -0.51 -5.01 120.40 115.86 3hjr s VAL 445 Ca 0.04 1.37 0.03 0.00 -1.81 0.00 0.00 61.98 61.60 3hjr s VAL 445 Cb -0.23 -3.97 -0.04 0.00 0.56 0.00 0.00 36.38 32.69 3hjr s VAL 445 CO 0.07 0.52 0.14 0.42 -0.31 0.00 0.00 175.10 175.94 3hjr s THR 446 N -0.94 0.40 0.00 5.32 -4.23 -1.26 -4.77 115.64 110.16 3hjr s THR 446 Ca 0.31 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 3hjr s THR 446 Cb -0.20 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.10 3hjr s THR 446 CO 0.21 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 3hjr n GLY 447 N -0.56 -0.31 0.06 3.99 0.00 -1.26 -3.82 105.19 103.30 3hjr n GLY 447 Ca 0.00 -1.06 0.13 0.00 0.00 0.00 0.00 46.02 45.09 3hjr n GLY 447 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hjr n SER 448 N -1.59 0.45 0.17 1.61 3.41 -1.26 -2.54 113.62 113.87 3hjr n SER 448 Ca 0.00 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 3hjr n SER 448 Cb 0.00 -0.67 0.60 0.00 -0.26 0.00 0.00 64.21 63.87 3hjr n SER 448 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hjr h ALA 449 N 2.64 1.00 0.00 7.33 0.00 -1.98 -2.97 119.26 125.28 3hjr h ALA 449 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hjr h ALA 449 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hjr h ALA 449 CO 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 179.25 179.24 3hjr h ALA 450 N 2.09 0.99 -2.79 0.00 0.00 -1.60 -3.43 119.26 114.52 3hjr h ALA 450 Ca 0.00 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.38 3hjr h ALA 450 Cb 0.14 -0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.98 3hjr h ALA 450 CO 0.00 0.02 0.63 0.00 0.00 0.00 0.00 179.25 179.89 3hjr s ALA 451 N -3.26 3.50 -0.33 0.00 0.00 -1.12 -0.39 121.76 120.16 3hjr s ALA 451 Ca 0.06 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 53.17 3hjr s ALA 451 Cb 0.06 -3.46 0.08 0.00 0.00 0.00 0.00 23.12 19.79 3hjr s ALA 451 CO 0.66 -0.54 0.05 0.42 0.00 0.00 0.00 175.76 176.35 3hjr s ILE 452 N -0.61 2.86 0.57 0.00 1.01 -0.64 -4.74 121.20 119.65 3hjr s ILE 452 Ca 0.52 -1.76 -0.14 0.00 0.00 0.00 0.00 60.65 59.27 3hjr s ILE 452 Cb -0.38 -2.81 -0.06 0.00 0.01 0.00 0.00 42.46 39.23 3hjr s ILE 452 CO 0.45 -0.34 1.01 0.00 0.00 0.00 0.00 174.94 176.06 3hjr s ALA 453 N 1.15 3.03 0.15 9.38 0.00 -1.26 -2.40 121.76 131.80 3hjr s ALA 453 Ca 0.01 0.09 -0.23 0.00 0.00 0.00 0.00 51.96 51.83 3hjr s ALA 453 Cb -0.20 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3hjr s ALA 453 CO -0.04 -0.50 1.63 0.22 0.00 0.00 0.00 175.76 177.07 3hjr h ASP 454 N 0.34 -0.81 -2.07 0.00 1.82 -1.95 -3.11 116.42 110.63 3hjr h ASP 454 Ca -0.46 0.14 -0.57 0.00 -0.39 0.00 0.00 57.03 55.75 3hjr h ASP 454 Cb 1.19 0.37 -0.40 0.00 0.68 0.00 0.00 39.33 41.18 3hjr h ASP 454 CO 0.61 -0.29 -0.97 1.33 -1.61 0.00 0.00 179.24 178.31 3hjr n VAL 455 N -5.38 0.10 -1.95 2.25 0.24 -1.22 -3.90 118.33 108.47 3hjr n VAL 455 Ca -0.01 -4.32 -0.39 0.00 -2.04 0.00 0.00 64.34 57.59 3hjr n VAL 455 Cb 0.30 -1.99 0.02 0.00 -1.47 0.00 0.00 33.84 30.69 3hjr n VAL 455 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3hjr s GLY 456 N -1.48 2.88 0.26 7.63 0.00 -0.60 -0.28 107.32 115.72 3hjr s GLY 456 Ca 0.36 1.24 0.25 0.00 0.00 0.00 0.00 44.72 46.58 3hjr s GLY 456 CO -0.09 1.78 1.74 -0.57 0.00 0.00 0.00 173.10 175.96 3hjr h ASN 457 N 1.97 0.00 -5.04 1.64 -1.24 -1.92 -3.44 115.58 107.55 3hjr h ASN 457 Ca -0.50 -0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.40 3hjr h ASN 457 Cb 1.27 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 40.14 3hjr h ASN 457 CO 0.60 0.00 -0.32 -0.44 -1.29 0.00 0.00 177.43 175.98 3hjr s SER 458 N -4.87 -0.07 0.75 1.15 0.01 -1.26 -5.08 113.70 104.33 3hjr s SER 458 Ca 0.10 -0.20 -0.13 0.00 1.31 0.00 0.00 55.95 57.03 3hjr s SER 458 Cb 0.11 0.32 0.05 0.00 0.21 0.00 0.00 66.02 66.70 3hjr s SER 458 CO 0.61 -0.55 1.14 -2.84 0.41 0.00 0.00 173.24 172.02 3hjr s PRO 459 N -2.25 2.18 -0.12 12.44 0.02 -1.26 -4.92 135.00 141.09 3hjr s PRO 459 Ca -0.07 1.48 -0.27 0.00 0.02 0.00 0.00 61.00 62.15 3hjr s PRO 459 Cb -0.02 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.62 3hjr s PRO 459 CO -0.02 -1.75 0.91 0.99 -0.33 0.00 0.00 177.00 176.80 3hjr s THR 460 N -2.41 4.85 0.05 0.99 2.01 0.36 -4.87 115.64 116.62 3hjr s THR 460 Ca 0.68 1.84 0.08 0.00 0.31 0.00 0.00 61.69 64.60 3hjr s THR 460 Cb -0.23 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 3hjr s THR 460 CO 0.49 0.04 -0.22 -0.94 -0.69 0.00 0.00 174.62 173.30 3hjr s SER 461 N 1.09 3.50 -0.02 3.53 1.04 -1.26 -0.80 113.70 120.78 3hjr s SER 461 Ca 0.44 -0.53 -0.04 0.00 0.48 0.00 0.00 55.95 56.30 3hjr s SER 461 Cb -0.18 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.51 3hjr s SER 461 CO 0.16 0.25 0.09 -0.55 0.98 0.00 0.00 173.24 174.17 3hjr s SER 462 N -1.45 -0.01 0.12 7.02 0.15 -0.42 -5.00 113.70 114.11 3hjr s SER 462 Ca 0.14 -0.02 0.04 0.00 0.70 0.00 0.00 55.95 56.80 3hjr s SER 462 Cb -0.10 0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.36 3hjr s SER 462 CO 0.04 -0.17 -0.10 0.42 1.20 0.00 0.00 173.24 174.63 3hjr s THR 463 N -0.59 1.07 -0.12 6.45 -4.23 -1.26 -0.32 115.64 116.64 3hjr s THR 463 Ca -0.07 -1.87 -0.14 0.00 -1.18 0.00 0.00 61.69 58.43 3hjr s THR 463 Cb -0.04 -1.64 0.04 0.00 1.34 0.00 0.00 72.50 72.20 3hjr s THR 463 CO 0.00 -0.66 0.39 0.28 -0.54 0.00 0.00 174.62 174.09 3hjr s THR 464 N -2.93 0.01 -0.23 3.99 -1.32 -0.66 -4.96 115.64 109.54 3hjr s THR 464 Ca 0.12 -0.09 -0.11 0.00 -1.21 0.00 0.00 61.69 60.40 3hjr s THR 464 Cb 0.00 -0.58 -0.05 0.00 -1.51 0.00 0.00 72.50 70.36 3hjr s THR 464 CO 0.00 -0.05 0.17 -0.60 -2.21 0.00 0.00 174.62 171.94 3hjr s ARG 465 N -0.12 4.09 -0.32 7.08 3.52 -1.26 -1.11 118.95 130.82 3hjr s ARG 465 Ca -0.03 -0.24 -0.22 0.00 -0.13 0.00 0.00 55.73 55.11 3hjr s ARG 465 Cb -0.03 -3.53 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 3hjr s ARG 465 CO 0.02 0.07 0.74 0.42 -0.81 0.00 0.00 175.30 175.73 3hjr s ILE 466 N 1.03 4.82 -0.17 4.11 -1.09 -0.22 -4.95 121.20 124.73 3hjr s ILE 466 Ca 0.08 1.00 0.16 0.00 -2.23 0.00 0.00 60.65 59.66 3hjr s ILE 466 Cb -0.13 -4.12 0.04 0.00 -1.58 0.00 0.00 42.46 36.67 3hjr s ILE 466 CO 0.04 -0.27 1.35 0.00 -1.23 0.00 0.00 174.94 174.83 3hjr h ALA 467 N 8.24 0.68 -2.55 9.38 0.00 -1.89 -0.02 119.26 133.09 3hjr h ALA 467 Ca -0.25 -0.48 -0.54 0.00 0.00 0.00 0.00 54.91 53.63 3hjr h ALA 467 Cb 1.10 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3hjr h ALA 467 CO 0.87 0.63 0.25 0.99 0.00 0.00 0.00 179.25 181.98 3hjr s THR 468 N -2.98 4.86 0.19 0.00 2.01 -1.26 -4.89 115.64 113.58 3hjr s THR 468 Ca 0.03 1.80 -0.30 0.00 0.31 0.00 0.00 61.69 63.53 3hjr s THR 468 Cb 0.08 -4.20 -0.09 0.00 0.01 0.00 0.00 72.50 68.30 3hjr s THR 468 CO 0.75 0.24 1.29 -2.84 -0.69 0.00 0.00 174.62 173.37 3hjr s PRO 469 N 0.66 4.41 -0.13 4.92 0.02 -1.26 -3.88 135.00 139.74 3hjr s PRO 469 Ca 0.45 2.02 -0.29 0.00 0.02 0.00 0.00 61.00 63.19 3hjr s PRO 469 Cb -0.20 -3.21 0.09 0.00 0.02 0.00 0.00 34.50 31.20 3hjr s PRO 469 CO 0.24 -0.22 0.79 -1.17 -0.33 0.00 0.00 177.00 176.31 3hjr s LEU 470 N -0.12 -0.59 -0.13 -5.54 2.96 -1.26 -4.98 118.68 109.02 3hjr s LEU 470 Ca 0.56 0.77 -0.19 0.00 -0.22 0.00 0.00 54.13 55.05 3hjr s LEU 470 Cb -0.36 2.32 -0.04 0.00 0.50 0.00 0.00 46.19 48.61 3hjr s LEU 470 CO 0.38 -0.46 0.51 -0.89 -1.32 0.00 0.00 176.35 174.57 3hjr s THR 471 N -0.82 5.16 0.19 3.68 2.01 -1.26 -0.51 115.64 124.08 3hjr s THR 471 Ca -0.06 1.01 -0.24 0.00 0.31 0.00 0.00 61.69 62.71 3hjr s THR 471 Cb -0.01 -3.85 -0.08 0.00 0.01 0.00 0.00 72.50 68.57 3hjr s THR 471 CO 0.05 0.29 0.77 0.54 -0.69 0.00 0.00 174.62 175.58 3hjr s VAL 472 N 0.86 4.42 -0.15 3.82 0.11 0.39 -1.66 120.40 128.19 3hjr s VAL 472 Ca 0.27 1.59 -0.15 0.00 -2.93 0.00 0.00 61.98 60.77 3hjr s VAL 472 Cb -0.15 -4.06 -0.05 0.00 -1.53 0.00 0.00 36.38 30.59 3hjr s VAL 472 CO 0.11 0.43 -0.28 -0.62 -3.33 0.00 0.00 175.10 171.40 3hjr n GLU 473 N 1.33 0.43 -4.01 1.54 1.02 0.21 -0.45 120.64 120.71 3hjr n GLU 473 Ca -0.05 0.18 -0.08 0.00 -0.02 0.00 0.00 57.16 57.20 3hjr n GLU 473 Cb 0.49 -1.27 -0.09 0.00 -0.02 0.00 0.00 31.44 30.55 3hjr n GLU 473 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hjr s ALA 474 N -2.92 0.24 -0.01 0.62 0.00 -0.66 -4.03 121.76 115.00 3hjr s ALA 474 Ca -0.23 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 50.82 3hjr s ALA 474 Cb 0.03 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 3hjr s ALA 474 CO 0.35 -0.38 -0.16 0.14 0.00 0.00 0.00 175.76 175.70 3hjr s VAL 475 N -3.60 1.30 0.01 0.00 -7.23 -0.94 -0.98 120.40 108.97 3hjr s VAL 475 Ca 0.04 -0.71 0.04 0.00 -1.81 0.00 0.00 61.98 59.54 3hjr s VAL 475 Cb 0.05 -1.08 -0.03 0.00 0.56 0.00 0.00 36.38 35.88 3hjr s VAL 475 CO -0.09 0.36 -0.09 -1.10 -0.31 0.00 0.00 175.10 173.87 3hjr s GLN 476 N -0.40 2.44 0.06 4.82 -0.21 -0.05 -1.52 119.66 124.80 3hjr s GLN 476 Ca 0.06 -0.79 0.06 0.00 0.02 0.00 0.00 55.36 54.72 3hjr s GLN 476 Cb -0.06 -2.43 -0.03 0.00 1.00 0.00 0.00 33.01 31.49 3hjr s GLN 476 CO -0.01 0.59 -0.17 0.08 -2.12 0.00 0.00 175.29 173.66 3hjr s VAL 477 N -0.99 1.34 -0.01 1.09 1.01 0.12 -0.83 120.40 122.13 3hjr s VAL 477 Ca 0.17 -1.25 0.07 0.00 0.00 0.00 0.00 61.98 60.97 3hjr s VAL 477 Cb -0.11 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 3hjr s VAL 477 CO 0.07 -0.05 -0.22 -0.04 0.00 0.00 0.00 175.10 174.86 3hjr s MET 478 N -1.50 2.18 -0.02 2.72 -1.94 -0.74 -1.19 119.30 118.80 3hjr s MET 478 Ca 0.03 -0.89 0.03 0.00 -1.71 0.00 0.00 55.69 53.14 3hjr s MET 478 Cb -0.09 -2.14 -0.00 0.00 2.01 0.00 0.00 34.83 34.61 3hjr s MET 478 CO 0.02 0.57 -0.10 0.54 -0.01 0.00 0.00 175.02 176.05 3hjr s VAL 479 N -0.70 0.81 -0.08 -6.03 0.11 -0.40 -1.16 120.40 112.95 3hjr s VAL 479 Ca 0.11 -0.40 0.03 0.00 -2.93 0.00 0.00 61.98 58.79 3hjr s VAL 479 Cb -0.10 -0.70 0.01 0.00 -1.53 0.00 0.00 36.38 34.05 3hjr s VAL 479 CO 0.00 0.24 -0.17 -0.44 -3.33 0.00 0.00 175.10 171.41 3hjr s SER 480 N 0.02 2.31 0.14 3.54 0.01 0.35 -1.68 113.70 118.39 3hjr s SER 480 Ca -0.00 -0.41 -0.21 0.00 1.31 0.00 0.00 55.95 56.64 3hjr s SER 480 Cb -0.07 -1.07 0.06 0.00 0.21 0.00 0.00 66.02 65.16 3hjr s SER 480 CO 0.00 0.09 0.54 -1.48 0.41 0.00 0.00 173.24 172.79 3hjr s LEU 481 N 0.53 -0.26 -0.15 2.44 0.05 -0.33 -1.13 118.68 119.83 3hjr s LEU 481 Ca -0.16 -0.08 -0.07 0.00 0.05 0.00 0.00 54.13 53.87 3hjr s LEU 481 Cb -0.17 2.35 -0.04 0.00 -2.05 0.00 0.00 46.19 46.28 3hjr s LEU 481 CO 0.06 -0.92 0.07 -1.81 -0.55 0.00 0.00 176.35 173.20 3hjr s ASP 482 N -2.72 5.77 -0.28 1.48 -0.00 0.59 -1.30 116.67 120.21 3hjr s ASP 482 Ca 0.01 0.18 -0.21 0.00 -0.00 0.00 0.00 52.55 52.54 3hjr s ASP 482 Cb -0.00 -1.91 0.10 0.00 -0.00 0.00 0.00 42.92 41.11 3hjr s ASP 482 CO -0.12 0.26 0.84 -2.28 -0.00 0.00 0.00 175.17 173.86 3hjr s HIS 483 N -0.12 -0.75 -1.13 4.23 2.46 -0.60 -0.79 115.29 118.59 3hjr s HIS 483 Ca 0.08 1.65 0.29 0.00 0.47 0.00 0.00 55.06 57.55 3hjr s HIS 483 Cb -0.12 0.41 1.27 0.00 -0.13 0.00 0.00 32.58 34.02 3hjr s HIS 483 CO 0.01 -0.37 1.93 1.04 -2.47 0.00 0.00 174.74 174.89 3hjr n GLN 484 N 3.24 0.13 -3.25 2.88 6.02 -1.26 -4.07 117.38 121.08 3hjr n GLN 484 Ca -0.16 -0.01 -0.24 0.00 -0.01 0.00 0.00 57.00 56.58 3hjr n GLN 484 Cb 0.57 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.25 3hjr n GLN 484 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3hjr n ARG 485 N -1.43 0.45 -0.32 -1.09 0.63 -1.26 -4.83 116.66 108.81 3hjr n ARG 485 Ca 0.09 -3.08 0.18 0.00 -0.92 0.00 0.00 57.85 54.12 3hjr n ARG 485 Cb 0.31 -1.45 0.37 0.00 0.45 0.00 0.00 32.46 32.14 3hjr n ARG 485 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3hjr h LEU 486 N 4.83 0.15 0.00 6.15 3.38 -1.79 -1.19 115.31 126.84 3hjr h LEU 486 Ca 0.16 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3hjr h LEU 486 Cb 0.91 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3hjr h LEU 486 CO 0.39 -0.19 0.00 -2.65 0.09 0.00 0.00 178.44 176.08 3hjr n PRO 487 N -5.20 0.15 0.05 1.13 -0.02 -1.26 -1.91 135.00 127.94 3hjr n PRO 487 Ca 0.26 0.18 0.10 0.00 -2.02 0.00 0.00 63.50 62.03 3hjr n PRO 487 Cb 0.83 -1.50 0.43 0.00 -0.02 0.00 0.00 33.50 33.24 3hjr n PRO 487 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hjr n ASP 488 N -1.26 0.29 -4.76 2.55 10.43 -0.45 0.15 116.55 123.50 3hjr n ASP 488 Ca 0.05 0.56 -0.37 0.00 2.57 0.00 0.00 54.79 57.59 3hjr n ASP 488 Cb 0.07 -0.62 -0.06 0.00 1.84 0.00 0.00 41.12 42.34 3hjr n ASP 488 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3hjr s LEU 489 N -3.61 4.32 -0.21 0.64 1.43 -0.80 -0.88 118.68 119.57 3hjr s LEU 489 Ca 0.08 0.74 -0.07 0.00 -1.03 0.00 0.00 54.13 53.86 3hjr s LEU 489 Cb 0.11 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 3hjr s LEU 489 CO 0.38 0.12 0.05 -0.22 0.23 0.00 0.00 176.35 176.92 3hjr s LEU 490 N 0.11 3.53 -0.16 1.79 2.96 0.19 -3.61 118.68 123.49 3hjr s LEU 490 Ca 0.22 -0.10 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 3hjr s LEU 490 Cb -0.15 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.65 3hjr s LEU 490 CO 0.09 0.07 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.38 3hjr s ILE 491 N 1.00 1.83 0.18 6.68 1.01 -0.62 -1.25 121.20 130.03 3hjr s ILE 491 Ca 0.03 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 59.97 3hjr s ILE 491 Cb -0.14 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 3hjr s ILE 491 CO 0.03 0.50 -0.17 -1.61 0.00 0.00 0.00 174.94 173.69 3hjr s GLU 492 N 1.36 1.30 -0.05 2.79 2.02 0.05 -0.32 118.70 125.85 3hjr s GLU 492 Ca 0.04 -1.49 0.05 0.00 0.02 0.00 0.00 54.97 53.60 3hjr s GLU 492 Cb -0.13 -1.24 -0.00 0.00 0.10 0.00 0.00 34.13 32.85 3hjr s GLU 492 CO -0.11 0.23 -0.19 -1.17 0.02 0.00 0.00 175.26 174.04 3hjr s LEU 493 N -2.95 1.95 -0.09 1.80 2.96 -0.26 -1.11 118.68 120.98 3hjr s LEU 493 Ca 0.19 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 3hjr s LEU 493 Cb -0.04 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.60 3hjr s LEU 493 CO 0.07 0.17 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.35 3hjr s VAL 494 N -0.01 2.21 0.64 1.68 1.01 0.44 -1.19 120.40 125.17 3hjr s VAL 494 Ca -0.04 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 3hjr s VAL 494 Cb -0.12 -1.84 0.05 0.00 0.00 0.00 0.00 36.38 34.47 3hjr s VAL 494 CO 0.02 0.56 0.91 -0.94 0.00 0.00 0.00 175.10 175.65 3hjr s SER 495 N 0.16 5.03 0.48 3.32 1.04 -0.01 -1.06 113.70 122.66 3hjr s SER 495 Ca -0.13 0.26 0.19 0.00 0.48 0.00 0.00 55.95 56.76 3hjr s SER 495 Cb -0.16 -1.02 1.21 0.00 0.10 0.00 0.00 66.02 66.15 3hjr s SER 495 CO 0.07 -1.39 1.99 -0.65 0.98 0.00 0.00 173.24 174.23 3hjr h PRO 496 N -0.30 0.20 0.00 4.02 0.11 -1.83 0.34 132.00 134.53 3hjr h PRO 496 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hjr h PRO 496 Cb 1.31 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3hjr h PRO 496 CO 0.57 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.49 3hjr n ALA 497 N -2.58 1.86 -0.21 -0.75 0.00 -1.26 -4.89 120.51 112.68 3hjr n ALA 497 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3hjr n ALA 497 Cb 0.48 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3hjr n ALA 497 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hjr n GLY 498 N 0.44 0.71 3.75 0.00 0.00 0.11 -5.03 105.19 105.16 3hjr n GLY 498 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3hjr n GLY 498 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hjr s THR 499 N -2.27 2.94 0.12 2.61 2.01 -1.26 -4.73 115.64 115.07 3hjr s THR 499 Ca 0.00 0.81 0.06 0.00 0.31 0.00 0.00 61.69 62.87 3hjr s THR 499 Cb 0.00 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 3hjr s THR 499 CO 0.00 0.14 0.02 -0.13 -0.69 0.00 0.00 174.62 173.95 3hjr s ARG 500 N -0.55 2.54 -0.09 4.92 0.52 -1.26 -0.83 118.95 124.20 3hjr s ARG 500 Ca 0.56 -0.92 -0.04 0.00 -0.52 0.00 0.00 55.73 54.81 3hjr s ARG 500 Cb -0.39 -2.50 0.05 0.00 0.52 0.00 0.00 34.95 32.63 3hjr s ARG 500 CO 0.43 0.51 0.19 0.45 0.02 0.00 0.00 175.30 176.89 3hjr s SER 501 N -2.59 0.09 -0.51 0.23 0.15 -0.33 -4.99 113.70 105.76 3hjr s SER 501 Ca 0.27 0.40 -0.27 0.00 0.70 0.00 0.00 55.95 57.05 3hjr s SER 501 Cb -0.11 0.33 0.03 0.00 -1.71 0.00 0.00 66.02 64.56 3hjr s SER 501 CO 0.19 -0.19 1.06 -0.63 1.20 0.00 0.00 173.24 174.88 3hjr s ILE 502 N 1.60 4.26 0.09 6.45 1.01 -1.26 -1.10 121.20 132.25 3hjr s ILE 502 Ca -0.05 0.88 -0.10 0.00 0.00 0.00 0.00 60.65 61.38 3hjr s ILE 502 Cb -0.11 -4.58 -0.23 0.00 0.01 0.00 0.00 42.46 37.55 3hjr s ILE 502 CO -0.07 -1.05 1.21 -0.07 0.00 0.00 0.00 174.94 174.96 3hjr h LEU 503 N 11.17 0.76 -7.31 2.97 3.38 -1.01 -3.35 115.31 121.92 3hjr h LEU 503 Ca -0.24 -0.63 -0.44 0.00 0.09 0.00 0.00 57.88 56.66 3hjr h LEU 503 Cb 1.07 -0.23 -0.39 0.00 0.09 0.00 0.00 40.66 41.19 3hjr h LEU 503 CO 1.11 1.44 -0.76 -0.22 0.09 0.00 0.00 178.44 180.10 3hjr s LEU 504 N -7.90 0.52 0.35 1.67 2.96 -0.85 -4.68 118.68 110.76 3hjr s LEU 504 Ca -0.08 -0.29 -0.26 0.00 -0.22 0.00 0.00 54.13 53.28 3hjr s LEU 504 Cb 0.07 -0.35 -0.09 0.00 0.50 0.00 0.00 46.19 46.32 3hjr s LEU 504 CO 0.90 -0.26 1.04 -0.94 -1.32 0.00 0.00 176.35 175.77 3hjr s SER 505 N 2.04 7.02 0.87 3.68 1.04 -1.26 -1.59 113.70 125.50 3hjr s SER 505 Ca 0.03 2.06 -0.12 0.00 0.48 0.00 0.00 55.95 58.40 3hjr s SER 505 Cb -0.14 -2.60 0.11 0.00 0.10 0.00 0.00 66.02 63.50 3hjr s SER 505 CO -0.06 -0.31 1.10 -2.16 0.98 0.00 0.00 173.24 172.80 3hjr s PRO 506 N -2.11 1.45 -1.25 4.02 0.04 -1.24 -4.08 135.00 131.84 3hjr s PRO 506 Ca 0.52 0.60 -0.00 0.00 0.04 0.00 0.00 61.00 62.16 3hjr s PRO 506 Cb -0.24 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3hjr s PRO 506 CO 0.30 -2.05 0.04 1.19 0.04 0.00 0.00 177.00 176.53 3hjr n PHE 507 N -3.72 -0.77 -1.46 0.56 3.72 0.12 -4.86 117.46 111.05 3hjr n PHE 507 Ca 0.07 0.04 -0.15 0.00 -0.05 0.00 0.00 57.45 57.35 3hjr n PHE 507 Cb 0.57 -3.14 0.11 0.00 -0.94 0.00 0.00 39.48 36.07 3hjr n PHE 507 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3hjr n ASN 508 N -0.87 0.00 -0.24 4.37 0.23 -1.26 -4.56 115.26 112.95 3hjr n ASN 508 Ca -0.17 -1.24 0.06 0.00 -0.53 0.00 0.00 54.58 52.70 3hjr n ASN 508 Cb 0.63 -0.53 0.25 0.00 -2.08 0.00 0.00 39.78 38.04 3hjr n ASN 508 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3hjr n SER 509 N -3.47 0.70 -2.69 0.53 3.41 0.11 -4.50 113.62 107.71 3hjr n SER 509 Ca 0.09 -1.79 -0.20 0.00 -0.26 0.00 0.00 58.87 56.70 3hjr n SER 509 Cb 0.30 -0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 64.11 3hjr n SER 509 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hjr n LEU 510 N -0.21 5.47 -1.06 1.04 4.77 -1.26 -4.13 117.00 121.62 3hjr n LEU 510 Ca 0.09 -3.11 0.08 0.00 -0.03 0.00 0.00 56.01 53.05 3hjr n LEU 510 Cb 0.14 -1.21 0.24 0.00 -2.33 0.00 0.00 43.42 40.26 3hjr n LEU 510 CO 0.07 1.27 0.70 1.33 -1.33 0.00 0.00 177.39 179.43 3hjr n VAL 511 N 3.27 0.87 0.26 4.08 0.24 -1.12 -4.29 118.33 121.64 3hjr n VAL 511 Ca 0.48 -0.76 0.11 0.00 -2.04 0.00 0.00 64.34 62.13 3hjr n VAL 511 Cb 0.44 0.28 0.69 0.00 -1.47 0.00 0.00 33.84 33.77 3hjr n VAL 511 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3hjr h GLY 512 N 4.76 0.00 1.01 7.63 0.00 -1.11 -1.26 103.07 114.09 3hjr h GLY 512 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3hjr h GLY 512 CO 0.04 0.00 0.41 1.46 0.00 0.00 0.00 176.54 178.45 3hjr h GLN 513 N 0.00 0.81 -0.42 4.80 4.20 -1.79 0.60 115.11 123.31 3hjr h GLN 513 Ca -0.00 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 3hjr h GLN 513 Cb 0.30 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3hjr h GLN 513 CO 0.02 0.54 -0.20 0.77 -0.67 0.00 0.00 178.83 179.28 3hjr h SER 514 N 0.84 0.91 -0.36 1.46 0.02 -1.58 -2.19 113.55 112.63 3hjr h SER 514 Ca 0.23 -0.40 0.04 0.00 -0.84 0.00 0.00 61.79 60.82 3hjr h SER 514 Cb -0.10 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.15 3hjr h SER 514 CO -0.05 1.11 0.12 0.25 -1.14 0.00 0.00 176.83 177.12 3hjr h LEU 515 N 0.70 0.12 -0.41 5.07 5.85 -1.20 -2.32 115.31 123.12 3hjr h LEU 515 Ca 0.09 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3hjr h LEU 515 Cb 0.77 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 3hjr h LEU 515 CO 0.06 0.10 0.26 0.44 -0.34 0.00 0.00 178.44 178.97 3hjr h ASP 516 N 0.27 0.44 -0.80 1.25 5.19 -0.78 -1.58 116.42 120.40 3hjr h ASP 516 Ca 0.17 -0.01 0.07 0.00 -0.62 0.00 0.00 57.03 56.64 3hjr h ASP 516 Cb 0.15 -0.10 -0.06 0.00 0.18 0.00 0.00 39.33 39.50 3hjr h ASP 516 CO -0.18 0.32 0.48 -0.61 -3.12 0.00 0.00 179.24 176.13 3hjr h GLN 517 N 0.53 0.84 -0.28 3.56 5.75 -1.19 0.18 115.11 124.50 3hjr h GLN 517 Ca 0.16 -0.05 -0.19 0.00 -0.15 0.00 0.00 58.65 58.42 3hjr h GLN 517 Cb -0.03 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.33 3hjr h GLN 517 CO -0.05 0.56 -0.56 0.37 -2.65 0.00 0.00 178.83 176.50 3hjr h GLN 518 N 0.87 0.88 0.00 1.69 4.15 -0.99 -2.50 115.11 119.21 3hjr h GLN 518 Ca 0.36 -0.56 -0.18 0.00 0.77 0.00 0.00 58.65 59.03 3hjr h GLN 518 Cb 0.21 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 3hjr h GLN 518 CO -0.19 1.20 -2.13 0.00 -1.93 0.00 0.00 178.83 175.78 3hjr n GLN 519 N -4.00 0.77 -0.09 1.69 10.64 -0.63 -4.64 117.38 121.12 3hjr n GLN 519 Ca -0.04 -0.09 -0.10 0.00 -1.83 0.00 0.00 57.00 54.93 3hjr n GLN 519 Cb 0.64 -1.49 -0.13 0.00 -0.86 0.00 0.00 30.24 28.40 3hjr n GLN 519 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3hjr n LEU 520 N -2.47 0.54 0.00 2.61 4.77 0.59 -5.01 117.00 118.04 3hjr n LEU 520 Ca -0.18 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 3hjr n LEU 520 Cb 0.84 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 3hjr n LEU 520 CO 0.42 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 3hjr n GLY 521 N 2.02 0.76 3.44 -0.72 0.00 -0.94 -5.02 105.19 104.73 3hjr n GLY 521 Ca -0.30 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 3hjr n GLY 521 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hjr s PHE 522 N -2.99 0.69 -0.17 1.61 -0.12 -1.26 -4.94 117.98 110.80 3hjr s PHE 522 Ca 0.00 -1.00 -0.00 0.00 -0.05 0.00 0.00 56.93 55.88 3hjr s PHE 522 Cb 0.00 -0.11 0.00 0.00 -0.63 0.00 0.00 43.02 42.29 3hjr s PHE 522 CO 0.00 -0.86 -0.15 0.54 -0.05 0.00 0.00 175.22 174.70 3hjr s VAL 523 N -4.04 2.57 0.12 -2.49 0.11 -1.26 -3.37 120.40 112.04 3hjr s VAL 523 Ca 0.29 -0.79 0.02 0.00 -2.93 0.00 0.00 61.98 58.58 3hjr s VAL 523 Cb 0.02 -2.10 -0.22 0.00 -1.53 0.00 0.00 36.38 32.55 3hjr s VAL 523 CO 0.11 0.51 1.26 0.03 -3.33 0.00 0.00 175.10 173.67 3hjr h ARG 524 N 7.64 0.14 -5.33 1.54 3.08 -1.91 -3.44 114.38 116.09 3hjr h ARG 524 Ca -0.38 -0.21 -0.63 0.00 0.07 0.00 0.00 59.98 58.83 3hjr h ARG 524 Cb 1.17 0.07 -0.14 0.00 0.08 0.00 0.00 29.97 31.16 3hjr h ARG 524 CO 0.59 1.06 0.00 0.99 -1.07 0.00 0.00 179.97 181.55 3hjr s THR 525 N -2.80 5.01 0.12 2.04 2.01 -1.26 -4.93 115.64 115.82 3hjr s THR 525 Ca -0.02 0.60 0.08 0.00 0.31 0.00 0.00 61.69 62.66 3hjr s THR 525 Cb 0.09 -3.93 -0.19 0.00 0.01 0.00 0.00 72.50 68.48 3hjr s THR 525 CO 0.84 -0.12 1.31 0.11 -0.69 0.00 0.00 174.62 176.07 3hjr h LYS 526 N 8.29 0.00 0.00 4.92 1.79 -1.90 -3.47 116.57 126.20 3hjr h LYS 526 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 3hjr h LYS 526 Cb 1.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 3hjr h LYS 526 CO 0.76 0.96 0.00 0.41 -1.08 0.00 0.00 179.45 180.50 3hjr n GLY 527 N 1.27 -0.62 3.76 3.86 0.00 -1.25 -1.56 105.19 110.65 3hjr n GLY 527 Ca -0.00 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 3hjr n GLY 527 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hjr s LEU 528 N 0.00 4.62 -0.30 0.99 1.43 -0.42 -4.84 118.68 120.15 3hjr s LEU 528 Ca 0.00 1.85 -0.01 0.00 -1.03 0.00 0.00 54.13 54.94 3hjr s LEU 528 Cb 0.00 -3.53 0.10 0.00 0.03 0.00 0.00 46.19 42.78 3hjr s LEU 528 CO 0.00 0.16 0.09 -0.13 0.23 0.00 0.00 176.35 176.70 3hjr s ARG 529 N -1.22 0.75 -1.47 1.70 1.81 -1.25 -1.19 118.95 118.07 3hjr s ARG 529 Ca 0.40 -1.04 -0.11 0.00 -1.72 0.00 0.00 55.73 53.26 3hjr s ARG 529 Cb -0.25 -2.03 0.06 0.00 -0.45 0.00 0.00 34.95 32.28 3hjr s ARG 529 CO 0.30 -0.95 0.85 -0.25 -0.68 0.00 0.00 175.30 174.57 3hjr n ASP 530 N 4.85 -5.01 -4.69 0.23 8.00 -0.77 -4.13 116.55 115.02 3hjr n ASP 530 Ca -0.03 -0.60 -0.42 0.00 0.71 0.00 0.00 54.79 54.45 3hjr n ASP 530 Cb 0.42 -4.02 -0.03 0.00 -0.02 0.00 0.00 41.12 37.47 3hjr n ASP 530 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3hjr s MET 531 N -6.33 4.29 0.01 -1.24 -2.45 -0.68 -3.90 119.30 109.01 3hjr s MET 531 Ca 0.55 1.96 -0.19 0.00 -1.25 0.00 0.00 55.69 56.76 3hjr s MET 531 Cb -0.27 -3.54 -0.06 0.00 1.25 0.00 0.00 34.83 32.21 3hjr s MET 531 CO 0.68 -0.55 0.56 0.50 1.05 0.00 0.00 175.02 177.25 3hjr s ARG 532 N 2.24 4.24 0.08 4.11 3.52 -1.26 -1.27 118.95 130.61 3hjr s ARG 532 Ca 0.64 0.67 0.02 0.00 -0.13 0.00 0.00 55.73 56.93 3hjr s ARG 532 Cb -0.32 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 3hjr s ARG 532 CO 0.27 0.47 -0.07 -1.64 -0.81 0.00 0.00 175.30 173.52 3hjr s MET 533 N -0.51 0.76 0.03 5.12 -1.94 -0.34 -4.85 119.30 117.57 3hjr s MET 533 Ca 0.29 -1.19 0.02 0.00 -1.71 0.00 0.00 55.69 53.11 3hjr s MET 533 Cb -0.18 -0.24 -0.02 0.00 2.01 0.00 0.00 34.83 36.40 3hjr s MET 533 CO 0.17 0.00 -0.08 -1.17 -0.01 0.00 0.00 175.02 173.93 3hjr s LEU 534 N -2.67 2.17 -0.03 -0.03 0.20 -1.26 -0.70 118.68 116.35 3hjr s LEU 534 Ca 0.06 -0.40 0.04 0.00 0.69 0.00 0.00 54.13 54.53 3hjr s LEU 534 Cb 0.01 -0.26 -0.00 0.00 -0.43 0.00 0.00 46.19 45.50 3hjr s LEU 534 CO -0.03 -0.09 -0.16 -0.55 -0.29 0.00 0.00 176.35 175.23 3hjr s SER 535 N -1.07 1.98 0.00 3.68 0.15 -0.58 -2.67 113.70 115.20 3hjr s SER 535 Ca -0.05 -0.32 0.25 0.00 0.70 0.00 0.00 55.95 56.53 3hjr s SER 535 Cb -0.07 -0.47 0.39 0.00 -1.71 0.00 0.00 66.02 64.15 3hjr s SER 535 CO 0.00 0.15 1.35 0.59 1.20 0.00 0.00 173.24 176.54 3hjr n ASN 536 N 3.05 2.09 0.24 5.45 3.02 -0.34 -2.22 115.26 126.56 3hjr n ASN 536 Ca -0.17 -1.57 0.17 0.00 -0.03 0.00 0.00 54.58 52.97 3hjr n ASN 536 Cb 0.53 0.17 0.87 0.00 -0.61 0.00 0.00 39.78 40.74 3hjr n ASN 536 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3hjr h LYS 537 N 2.99 0.00 -0.67 3.52 1.63 -1.89 -2.80 116.57 119.34 3hjr h LYS 537 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3hjr h LYS 537 Cb 0.75 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 3hjr h LYS 537 CO 0.00 0.00 0.00 1.19 -3.45 0.00 0.00 179.45 177.19 3hjr n PHE 538 N -3.77 0.90 -1.63 1.91 3.72 -1.26 -4.69 117.46 112.63 3hjr n PHE 538 Ca -0.00 -0.45 -0.50 0.00 -0.05 0.00 0.00 57.45 56.46 3hjr n PHE 538 Cb 0.24 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.73 3hjr n PHE 538 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3hjr n TYR 539 N 1.53 2.13 0.00 1.38 4.19 -1.06 -1.02 117.16 124.31 3hjr n TYR 539 Ca 0.23 0.10 0.00 0.00 3.31 0.00 0.00 57.90 61.54 3hjr n TYR 539 Cb 0.59 -2.62 0.00 0.00 0.49 0.00 0.00 39.34 37.80 3hjr n TYR 539 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3hjr n GLY 540 N 4.91 2.90 3.76 2.98 0.00 0.41 -4.70 105.19 115.45 3hjr n GLY 540 Ca 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 3hjr n GLY 540 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hjr s GLU 541 N -0.98 2.35 0.14 1.61 2.02 -0.19 -4.60 118.70 119.05 3hjr s GLU 541 Ca 0.00 1.29 -0.30 0.00 0.02 0.00 0.00 54.97 55.98 3hjr s GLU 541 Cb 0.00 -1.90 -0.07 0.00 0.10 0.00 0.00 34.13 32.25 3hjr s GLU 541 CO 0.00 -1.59 1.24 0.45 0.02 0.00 0.00 175.26 175.38 3hjr s SER 542 N -3.03 7.02 0.33 -0.19 0.15 -1.26 -0.46 113.70 116.26 3hjr s SER 542 Ca 0.64 2.21 0.18 0.00 0.70 0.00 0.00 55.95 59.68 3hjr s SER 542 Cb -0.19 -2.60 0.15 0.00 -1.71 0.00 0.00 66.02 61.67 3hjr s SER 542 CO 0.51 -0.46 1.49 0.00 1.20 0.00 0.00 173.24 175.99 3hjr h ALA 543 N 5.90 0.78 -2.55 5.45 0.00 -1.09 -3.44 119.26 124.31 3hjr h ALA 543 Ca -0.43 -0.31 -0.53 0.00 0.00 0.00 0.00 54.91 53.63 3hjr h ALA 543 Cb 1.21 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.96 3hjr h ALA 543 CO 0.78 0.43 0.60 -1.14 0.00 0.00 0.00 179.25 179.92 3hjr s GLN 544 N -3.04 4.42 0.00 0.00 0.74 -1.25 -4.60 119.66 115.93 3hjr s GLN 544 Ca 0.05 1.87 0.00 0.00 0.05 0.00 0.00 55.36 57.33 3hjr s GLN 544 Cb 0.07 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.88 3hjr s GLN 544 CO 0.72 -0.26 0.00 0.41 -0.55 0.00 0.00 175.29 175.61 3hjr n GLY 545 N 3.01 0.63 3.66 2.59 0.00 -0.02 -4.80 105.19 110.25 3hjr n GLY 545 Ca 0.08 -2.17 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 3hjr n GLY 545 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hjr s THR 546 N -0.82 5.05 -0.04 2.61 2.01 -1.26 -1.06 115.64 122.12 3hjr s THR 546 Ca 0.00 1.12 -0.05 0.00 0.31 0.00 0.00 61.69 63.07 3hjr s THR 546 Cb 0.00 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 3hjr s THR 546 CO 0.00 0.13 0.19 0.26 -0.69 0.00 0.00 174.62 174.52 3hjr s TRP 547 N 1.80 3.58 -0.10 4.92 0.52 -0.27 -2.95 118.94 126.44 3hjr s TRP 547 Ca 0.27 0.48 0.01 0.00 0.02 0.00 0.00 56.10 56.88 3hjr s TRP 547 Cb -0.16 -1.91 0.02 0.00 -1.15 0.00 0.00 33.47 30.27 3hjr s TRP 547 CO 0.10 0.67 -0.13 1.03 0.02 0.00 0.00 176.95 178.64 3hjr s ARG 548 N -1.58 1.96 -0.13 4.98 0.52 -0.23 -1.65 118.95 122.83 3hjr s ARG 548 Ca 0.23 -0.47 -0.20 0.00 -0.52 0.00 0.00 55.73 54.77 3hjr s ARG 548 Cb -0.13 -1.71 -0.03 0.00 0.52 0.00 0.00 34.95 33.60 3hjr s ARG 548 CO 0.13 -0.08 0.59 -1.17 0.02 0.00 0.00 175.30 174.79 3hjr s LEU 549 N 1.03 4.24 -0.12 2.53 2.96 0.57 -0.42 118.68 129.47 3hjr s LEU 549 Ca -0.07 0.92 0.00 0.00 -0.22 0.00 0.00 54.13 54.77 3hjr s LEU 549 Cb -0.15 -2.87 0.02 0.00 0.50 0.00 0.00 46.19 43.70 3hjr s LEU 549 CO -0.01 -0.12 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.18 3hjr s GLU 550 N 1.09 1.82 -0.10 1.98 2.02 -0.27 -1.30 118.70 123.94 3hjr s GLU 550 Ca 0.30 -0.38 0.03 0.00 0.02 0.00 0.00 54.97 54.94 3hjr s GLU 550 Cb -0.16 -1.75 -0.01 0.00 0.10 0.00 0.00 34.13 32.31 3hjr s GLU 550 CO 0.13 -0.22 -0.20 0.08 0.02 0.00 0.00 175.26 175.07 3hjr s VAL 551 N 1.51 2.47 -0.03 2.63 1.01 0.02 -0.77 120.40 127.23 3hjr s VAL 551 Ca 0.03 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3hjr s VAL 551 Cb -0.13 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.29 3hjr s VAL 551 CO -0.08 0.55 -0.10 -0.89 0.00 0.00 0.00 175.10 174.59 3hjr s THR 552 N 0.14 0.88 -0.25 3.92 2.01 -0.38 -0.48 115.64 121.47 3hjr s THR 552 Ca -0.10 -0.40 -0.23 0.00 0.31 0.00 0.00 61.69 61.26 3hjr s THR 552 Cb -0.16 -0.79 -0.01 0.00 0.01 0.00 0.00 72.50 71.56 3hjr s THR 552 CO 0.06 0.28 0.78 -0.62 -0.69 0.00 0.00 174.62 174.42 3hjr s ASP 553 N 0.26 6.76 -0.17 3.53 3.68 -1.26 -0.64 116.67 128.83 3hjr s ASP 553 Ca -0.05 0.93 0.17 0.00 2.13 0.00 0.00 52.55 55.73 3hjr s ASP 553 Cb -0.10 -2.41 0.40 0.00 -1.45 0.00 0.00 42.92 39.36 3hjr s ASP 553 CO 0.01 -0.49 1.27 1.33 0.13 0.00 0.00 175.17 177.42 3hjr n VAL 554 N 5.26 2.10 -3.63 1.11 0.24 -0.06 -1.56 118.33 121.80 3hjr n VAL 554 Ca 0.04 -2.25 -0.05 0.00 -2.04 0.00 0.00 64.34 60.04 3hjr n VAL 554 Cb 0.48 -0.25 -0.06 0.00 -1.47 0.00 0.00 33.84 32.53 3hjr n VAL 554 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hjr s ALA 555 N -2.92 -2.00 0.00 2.33 0.00 -1.26 -4.81 121.76 113.10 3hjr s ALA 555 Ca 0.37 2.37 0.00 0.00 0.00 0.00 0.00 51.96 54.70 3hjr s ALA 555 Cb 0.32 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.88 3hjr s ALA 555 CO 0.04 -0.51 0.88 0.27 0.00 0.00 0.00 175.76 176.44 3hjr n ASN 556 N 4.49 1.62 -4.91 0.00 2.04 -1.26 -4.82 115.26 112.42 3hjr n ASN 556 Ca -0.18 -1.77 -0.27 0.00 -0.44 0.00 0.00 54.58 51.92 3hjr n ASN 556 Cb 0.57 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.82 3hjr n ASN 556 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 3hjr s GLY 557 N -0.77 1.50 0.43 4.83 0.00 -1.26 -4.68 107.32 107.36 3hjr s GLY 557 Ca 0.00 -0.56 -0.22 0.00 0.00 0.00 0.00 44.72 43.94 3hjr s GLY 557 CO 0.00 -0.40 1.01 -1.59 0.00 0.00 0.00 173.10 172.13 3hjr s THR 558 N -2.73 3.94 0.06 0.90 2.01 -1.26 -4.63 115.64 113.93 3hjr s THR 558 Ca 0.47 1.32 0.04 0.00 0.31 0.00 0.00 61.69 63.84 3hjr s THR 558 Cb -0.10 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 3hjr s THR 558 CO 0.44 -0.15 -0.13 -0.13 -0.69 0.00 0.00 174.62 173.96 3hjr s ARG 559 N -2.90 0.77 0.00 4.92 0.52 -1.06 -5.01 118.95 116.19 3hjr s ARG 559 Ca 0.62 -0.87 0.04 0.00 -0.52 0.00 0.00 55.73 55.01 3hjr s ARG 559 Cb -0.17 -0.73 -0.03 0.00 0.52 0.00 0.00 34.95 34.54 3hjr s ARG 559 CO 0.21 0.16 -0.11 -0.65 0.02 0.00 0.00 175.30 174.93 3hjr s GLN 560 N -1.58 2.40 -0.08 3.54 -0.21 -1.26 -1.22 119.66 121.25 3hjr s GLN 560 Ca -0.03 -0.79 0.02 0.00 0.02 0.00 0.00 55.36 54.58 3hjr s GLN 560 Cb -0.09 -2.39 0.01 0.00 1.00 0.00 0.00 33.01 31.54 3hjr s GLN 560 CO 0.02 0.59 -0.16 0.08 -2.12 0.00 0.00 175.29 173.70 3hjr s VAL 561 N -0.93 1.43 0.06 1.09 1.01 0.59 -2.75 120.40 120.91 3hjr s VAL 561 Ca 0.15 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 3hjr s VAL 561 Cb -0.11 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 3hjr s VAL 561 CO 0.05 0.42 0.89 -0.44 0.00 0.00 0.00 175.10 176.03 3hjr s SER 562 N 0.68 7.36 -0.09 3.32 0.01 0.43 -0.23 113.70 125.19 3hjr s SER 562 Ca -0.13 1.63 0.03 0.00 1.31 0.00 0.00 55.95 58.79 3hjr s SER 562 Cb -0.16 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.52 3hjr s SER 562 CO 0.04 -0.08 -0.19 -0.76 0.41 0.00 0.00 173.24 172.65 3hjr s LEU 563 N 0.23 2.38 -0.20 2.44 1.43 -0.18 -2.19 118.68 122.60 3hjr s LEU 563 Ca 0.45 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3hjr s LEU 563 Cb -0.22 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.54 3hjr s LEU 563 CO 0.27 0.21 -0.17 -0.22 0.23 0.00 0.00 176.35 176.67 3hjr s LEU 564 N 0.09 2.40 -0.09 1.79 2.96 -0.27 -1.42 118.68 124.14 3hjr s LEU 564 Ca -0.09 -0.71 -0.30 0.00 -0.22 0.00 0.00 54.13 52.81 3hjr s LEU 564 Cb -0.15 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 3hjr s LEU 564 CO 0.06 -0.03 1.30 0.21 -1.32 0.00 0.00 176.35 176.57 3hjr s ASN 565 N 1.29 6.94 0.28 3.68 3.84 -0.58 -0.65 114.94 129.74 3hjr s ASN 565 Ca 0.03 1.86 0.01 0.00 0.21 0.00 0.00 52.86 54.97 3hjr s ASN 565 Cb -0.14 -2.55 0.41 0.00 -0.55 0.00 0.00 41.25 38.42 3hjr s ASN 565 CO -0.11 -0.71 1.74 0.03 -2.79 0.00 0.00 177.10 175.26 3hjr h ARG 566 N 8.02 0.56 0.05 0.43 3.08 -1.42 -2.95 114.38 122.16 3hjr h ARG 566 Ca -0.32 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.54 3hjr h ARG 566 Cb 1.14 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3hjr h ARG 566 CO 0.93 0.71 -0.02 1.49 -1.07 0.00 0.00 179.97 182.00 3hjr h GLU 567 N 0.51 -0.06 -4.68 0.04 4.81 -1.91 -3.40 114.58 109.88 3hjr h GLU 567 Ca 0.08 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.63 3hjr h GLU 567 Cb 0.59 0.01 -0.20 0.00 0.63 0.00 0.00 28.75 29.78 3hjr h GLU 567 CO 0.04 0.46 -0.49 0.95 -0.73 0.00 0.00 179.01 179.24 3hjr s THR 568 N -2.39 5.10 -0.68 0.32 -4.23 -1.23 -4.96 115.64 107.57 3hjr s THR 568 Ca -0.11 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 3hjr s THR 568 Cb -0.01 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.16 3hjr s THR 568 CO 0.42 -0.06 0.00 0.54 -0.54 0.00 0.00 174.62 174.97 3hjr n ARG 569 N 5.08 0.00 -2.15 3.99 1.74 -1.11 -3.58 116.66 120.63 3hjr n ARG 569 Ca -0.12 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.54 3hjr n ARG 569 Cb 0.49 -0.94 -0.03 0.00 -1.02 0.00 0.00 32.46 30.96 3hjr n ARG 569 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3hjr s GLU 570 N -0.58 4.34 -0.13 5.56 2.12 -1.26 -4.64 118.70 124.11 3hjr s GLU 570 Ca 0.00 2.14 -0.11 0.00 0.36 0.00 0.00 54.97 57.35 3hjr s GLU 570 Cb 0.00 -3.17 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 3hjr s GLU 570 CO 0.00 -0.33 0.24 1.03 -0.54 0.00 0.00 175.26 175.66 3hjr s ARG 571 N -0.05 3.98 0.27 4.30 0.52 -1.26 -1.52 118.95 125.18 3hjr s ARG 571 Ca 0.58 0.02 0.02 0.00 -0.52 0.00 0.00 55.73 55.84 3hjr s ARG 571 Cb -0.38 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 31.72 3hjr s ARG 571 CO 0.39 0.46 0.17 0.95 0.02 0.00 0.00 175.30 177.29 3hjr s THR 572 N -0.18 0.13 -0.08 0.02 -4.23 -0.50 -5.01 115.64 105.79 3hjr s THR 572 Ca 0.15 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.69 3hjr s THR 572 Cb -0.13 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.21 3hjr s THR 572 CO 0.04 0.00 -0.16 -0.89 -0.54 0.00 0.00 174.62 173.07 3hjr s THR 573 N -3.79 1.48 -0.15 3.99 2.01 -1.26 -1.01 115.64 116.90 3hjr s THR 573 Ca 0.38 -0.67 -0.09 0.00 0.31 0.00 0.00 61.69 61.62 3hjr s THR 573 Cb 0.05 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 3hjr s THR 573 CO 0.18 0.43 0.14 -0.22 -0.69 0.00 0.00 174.62 174.46 3hjr s LEU 574 N 0.62 4.31 -0.20 4.42 2.96 0.69 -4.96 118.68 126.52 3hjr s LEU 574 Ca -0.14 0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 54.11 3hjr s LEU 574 Cb -0.16 -2.09 -0.00 0.00 0.50 0.00 0.00 46.19 44.43 3hjr s LEU 574 CO 0.04 0.30 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.39 3hjr s THR 575 N -0.38 3.03 -0.37 3.68 2.01 -1.26 -0.30 115.64 122.04 3hjr s THR 575 Ca 0.12 -0.62 -0.23 0.00 0.31 0.00 0.00 61.69 61.27 3hjr s THR 575 Cb -0.12 -2.34 0.01 0.00 0.01 0.00 0.00 72.50 70.06 3hjr s THR 575 CO 0.01 0.47 0.75 -1.61 -0.69 0.00 0.00 174.62 173.55 3hjr s GLU 576 N 1.26 3.70 0.11 4.92 2.02 -0.36 -4.92 118.70 125.43 3hjr s GLU 576 Ca 0.03 0.22 -0.12 0.00 0.02 0.00 0.00 54.97 55.12 3hjr s GLU 576 Cb -0.14 -3.82 -0.06 0.00 0.10 0.00 0.00 34.13 30.20 3hjr s GLU 576 CO -0.04 -0.85 0.47 1.03 0.02 0.00 0.00 175.26 175.89 3hjr s ARG 577 N 3.04 3.86 0.67 1.61 0.52 -1.26 -2.57 118.95 124.81 3hjr s ARG 577 Ca 0.30 0.32 -0.17 0.00 -0.52 0.00 0.00 55.73 55.65 3hjr s ARG 577 Cb -0.13 -2.96 -0.01 0.00 0.52 0.00 0.00 34.95 32.37 3hjr s ARG 577 CO 0.17 0.52 1.17 -1.71 0.02 0.00 0.00 175.30 175.47 3hjr n ASN 578 N 0.82 1.48 -0.07 0.23 5.15 -1.26 -4.88 115.26 116.74 3hjr n ASN 578 Ca -0.06 0.78 -0.07 0.00 -0.60 0.00 0.00 54.58 54.62 3hjr n ASN 578 Cb 0.52 -1.50 -0.01 0.00 -0.53 0.00 0.00 39.78 38.26 3hjr n ASN 578 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3hjr h ASN 579 N 0.26 -0.68 0.00 1.20 -1.07 -1.91 -3.46 115.58 109.91 3hjr h ASN 579 Ca -0.50 0.14 0.00 0.00 0.07 0.00 0.00 56.30 56.01 3hjr h ASN 579 Cb 1.34 0.34 0.00 0.00 -2.07 0.00 0.00 38.32 37.93 3hjr h ASN 579 CO 0.51 -0.24 0.00 0.54 0.07 0.00 0.00 177.43 178.31 3hjr n ARG 580 N -5.36 0.00 -4.74 4.14 1.74 -1.26 -4.93 116.66 106.25 3hjr n ARG 580 Ca -0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 3hjr n ARG 580 Cb 0.27 -3.82 -0.15 0.00 -1.02 0.00 0.00 32.46 27.75 3hjr n ARG 580 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3hjr s GLN 581 N -0.48 1.36 0.57 5.56 1.11 -1.26 -5.14 119.66 121.37 3hjr s GLN 581 Ca 0.00 -0.72 -0.20 0.00 0.01 0.00 0.00 55.36 54.45 3hjr s GLN 581 Cb 0.00 -1.36 -0.04 0.00 -1.01 0.00 0.00 33.01 30.60 3hjr s GLN 581 CO 0.00 0.36 1.24 -1.25 0.01 0.00 0.00 175.29 175.66 3hjr s PRO 582 N -0.69 3.09 0.96 2.91 0.04 -1.26 -4.76 135.00 135.29 3hjr s PRO 582 Ca 0.06 1.93 -0.16 0.00 0.04 0.00 0.00 61.00 62.88 3hjr s PRO 582 Cb -0.07 -2.07 0.19 0.00 0.04 0.00 0.00 34.50 32.59 3hjr s PRO 582 CO 0.00 -1.14 1.27 0.20 0.04 0.00 0.00 177.00 177.38 3hjr s GLY 583 N -1.39 1.72 -0.15 0.56 0.00 -1.01 -4.90 107.32 102.15 3hjr s GLY 583 Ca 0.75 -1.07 -0.06 0.00 0.00 0.00 0.00 44.72 44.34 3hjr s GLY 583 CO 0.37 -0.33 0.33 1.25 0.00 0.00 0.00 173.10 174.71 3hjr s LYS 584 N -5.77 0.25 0.11 2.90 2.20 0.03 -1.61 119.74 117.85 3hjr s LYS 584 Ca 0.72 0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 56.82 3hjr s LYS 584 Cb -0.06 0.05 -0.06 0.00 -1.51 0.00 0.00 37.83 36.25 3hjr s LYS 584 CO 0.53 -0.23 1.11 -1.17 -0.36 0.00 0.00 175.35 175.23 3hjr s LEU 585 N 2.08 4.43 -0.15 5.43 2.96 0.48 -0.30 118.68 133.61 3hjr s LEU 585 Ca -0.03 2.00 -0.11 0.00 -0.22 0.00 0.00 54.13 55.77 3hjr s LEU 585 Cb -0.11 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 42.92 3hjr s LEU 585 CO -0.10 -0.31 -0.25 -0.38 -1.32 0.00 0.00 176.35 173.99 3hjr n ILE 586 N 3.11 1.24 -3.53 6.68 5.41 -0.28 -4.75 119.36 127.24 3hjr n ILE 586 Ca 0.05 -0.05 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 3hjr n ILE 586 Cb 0.47 -1.93 -0.02 0.00 -0.71 0.00 0.00 39.64 37.45 3hjr n ILE 586 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3hjr s SER 587 N -6.40 -0.45 0.09 4.38 1.04 -0.93 -1.43 113.70 110.00 3hjr s SER 587 Ca -0.24 -0.12 -0.12 0.00 0.48 0.00 0.00 55.95 55.95 3hjr s SER 587 Cb 0.07 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.77 3hjr s SER 587 CO 0.33 -0.95 0.28 -1.66 0.98 0.00 0.00 173.24 172.22 3hjr s TRP 588 N -3.61 -0.02 0.05 5.02 1.48 -0.75 -0.49 118.94 120.61 3hjr s TRP 588 Ca 0.04 -0.31 0.04 0.00 -1.06 0.00 0.00 56.10 54.81 3hjr s TRP 588 Cb -0.02 0.08 -0.02 0.00 -1.16 0.00 0.00 33.47 32.35 3hjr s TRP 588 CO -0.08 -0.59 -0.12 -1.12 -4.06 0.00 0.00 176.95 170.98 3hjr s SER 589 N -2.68 1.36 -0.05 -2.66 0.01 -0.31 -0.66 113.70 108.71 3hjr s SER 589 Ca 0.02 -0.50 0.04 0.00 1.31 0.00 0.00 55.95 56.82 3hjr s SER 589 Cb 0.03 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.21 3hjr s SER 589 CO -0.10 -0.06 -0.16 -0.22 0.41 0.00 0.00 173.24 173.11 3hjr s LEU 590 N -1.34 1.87 -0.11 2.44 2.96 0.04 -1.80 118.68 122.75 3hjr s LEU 590 Ca -0.02 -0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3hjr s LEU 590 Cb -0.09 -0.97 0.02 0.00 0.50 0.00 0.00 46.19 45.66 3hjr s LEU 590 CO 0.01 0.13 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.49 3hjr s ARG 591 N 0.20 1.46 -0.22 1.98 3.52 -0.01 -1.36 118.95 124.53 3hjr s ARG 591 Ca -0.07 -0.24 -0.10 0.00 -0.13 0.00 0.00 55.73 55.19 3hjr s ARG 591 Cb -0.13 -1.52 -0.05 0.00 -1.56 0.00 0.00 34.95 31.69 3hjr s ARG 591 CO 0.03 -0.25 0.13 0.08 -0.81 0.00 0.00 175.30 174.48 3hjr s VAL 592 N 1.65 5.17 -0.20 7.11 1.01 -1.26 -0.87 120.40 133.00 3hjr s VAL 592 Ca 0.03 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 3hjr s VAL 592 Cb -0.13 -3.39 -0.00 0.00 0.00 0.00 0.00 36.38 32.86 3hjr s VAL 592 CO -0.07 0.39 -0.08 -0.76 0.00 0.00 0.00 175.10 174.57 3hjr s LEU 593 N 0.83 2.73 0.00 3.92 1.43 -0.15 -1.24 118.68 126.20 3hjr s LEU 593 Ca 0.07 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 3hjr s LEU 593 Cb -0.13 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.42 3hjr s LEU 593 CO 0.02 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.23 3hjr n GLY 594 N 4.57 2.67 0.00 -3.19 0.00 -0.16 -0.62 105.19 108.45 3hjr n GLY 594 Ca -0.19 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3hjr n GLY 594 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93