#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3duq h ILE 6 N 0.00 0.26 -3.99 5.18 1.08 -1.99 -3.44 117.51 114.60 3duq h ILE 6 Ca 0.00 -1.20 -0.37 0.00 -0.39 0.00 0.00 64.86 62.90 3duq h ILE 6 Cb 0.00 1.98 -0.27 0.00 -3.07 0.00 0.00 36.82 35.47 3duq h ILE 6 CO 0.00 0.13 -0.77 -0.36 -0.69 0.00 0.00 178.15 176.47 3duq s PHE 7 N -3.28 0.78 0.14 1.37 0.08 -1.26 -4.68 117.98 111.12 3duq s PHE 7 Ca 0.05 -0.22 -0.30 0.00 0.12 0.00 0.00 56.93 56.57 3duq s PHE 7 Cb 0.07 -0.48 -0.06 0.00 -0.57 0.00 0.00 43.02 41.97 3duq s PHE 7 CO 0.66 -0.02 1.00 -1.12 -0.10 0.00 0.00 175.22 175.65 3duq s SER 8 N -0.55 7.43 0.27 1.36 0.01 -0.63 -4.95 113.70 116.64 3duq s SER 8 Ca 0.01 1.89 0.13 0.00 1.31 0.00 0.00 55.95 59.29 3duq s SER 8 Cb -0.05 -2.59 0.27 0.00 0.21 0.00 0.00 66.02 63.86 3duq s SER 8 CO 0.00 -0.11 1.54 1.56 0.41 0.00 0.00 173.24 176.65 3duq h GLN 9 N 5.39 0.00 -3.43 12.44 4.20 -1.98 -3.45 115.11 128.29 3duq h GLN 9 Ca -0.43 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.04 3duq h GLN 9 Cb 1.21 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 28.69 3duq h GLN 9 CO 0.72 0.60 -0.63 0.08 -0.67 0.00 0.00 178.83 178.93 3duq s VAL 10 N -3.28 -0.03 0.02 -0.54 1.01 -1.26 -5.15 120.40 111.18 3duq s VAL 10 Ca 0.01 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.11 3duq s VAL 10 Cb 0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.29 3duq s VAL 10 CO 0.75 0.04 -0.02 -1.10 0.00 0.00 0.00 175.10 174.77 3duq s GLN 11 N 0.62 2.66 0.02 2.72 -0.21 -1.26 -5.10 119.66 119.11 3duq s GLN 11 Ca -0.05 -0.69 0.04 0.00 0.02 0.00 0.00 55.36 54.68 3duq s GLN 11 Cb -0.07 -2.59 -0.02 0.00 1.00 0.00 0.00 33.01 31.34 3duq s GLN 11 CO -0.03 0.60 -0.12 0.08 -2.12 0.00 0.00 175.29 173.70 3duq s VAL 12 N -1.11 0.96 0.04 1.09 1.01 -1.26 -5.16 120.40 115.96 3duq s VAL 12 Ca 0.20 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.42 3duq s VAL 12 Cb -0.11 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 3duq s VAL 12 CO 0.11 0.07 -0.08 -0.60 0.00 0.00 0.00 175.10 174.60 3duq s ARG 13 N -0.82 0.56 0.21 2.72 3.52 -1.26 -5.02 118.95 118.87 3duq s ARG 13 Ca 0.02 -0.66 0.03 0.00 -0.13 0.00 0.00 55.73 54.98 3duq s ARG 13 Cb -0.07 -0.41 -0.01 0.00 -1.56 0.00 0.00 34.95 32.91 3duq s ARG 13 CO 0.01 0.09 0.21 0.41 -0.81 0.00 0.00 175.30 175.21 3duq n GLY 14 N 1.76 3.09 3.76 8.12 0.00 -1.26 -5.13 105.19 115.54 3duq n GLY 14 Ca -0.20 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 3duq n GLY 14 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3duq n PRO 15 N -0.39 2.46 -1.64 1.61 -0.01 -1.26 -4.85 135.00 130.92 3duq n PRO 15 Ca 0.04 0.87 -0.51 0.00 -0.01 0.00 0.00 63.50 63.89 3duq n PRO 15 Cb 0.38 -2.62 -0.06 0.00 -0.01 0.00 0.00 33.50 31.19 3duq n PRO 15 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3duq n ALA 16 N 0.18 -0.05 -2.64 3.55 0.00 -1.26 -4.95 120.51 115.34 3duq n ALA 16 Ca 0.03 0.46 -0.42 0.00 0.00 0.00 0.00 53.44 53.51 3duq n ALA 16 Cb 0.39 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.59 3duq n ALA 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3duq s ASP 17 N 1.33 6.82 0.00 0.00 2.15 -1.26 -4.95 116.67 120.76 3duq s ASP 17 Ca 0.85 0.99 0.25 0.00 0.43 0.00 0.00 52.55 55.07 3duq s ASP 17 Cb -0.87 -2.44 0.53 0.00 -0.30 0.00 0.00 42.92 39.84 3duq s ASP 17 CO 0.47 -0.55 1.42 0.18 -0.17 0.00 0.00 175.17 176.52 3duq n LEU 18 N 6.09 1.10 0.00 -1.34 4.77 -1.26 -4.77 117.00 121.60 3duq n LEU 18 Ca 0.06 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 3duq n LEU 18 Cb 0.48 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3duq n LEU 18 CO 0.48 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3duq n GLY 19 N 1.39 -1.02 3.76 -0.72 0.00 -1.26 -4.93 105.19 102.41 3duq n GLY 19 Ca 0.10 -1.63 -0.37 0.00 0.00 0.00 0.00 46.02 44.12 3duq n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3duq s MET 20 N -1.03 3.41 -0.15 1.61 -1.94 -1.26 -4.97 119.30 114.98 3duq s MET 20 Ca 0.00 1.90 0.09 0.00 -1.71 0.00 0.00 55.69 55.97 3duq s MET 20 Cb 0.00 -2.24 -0.16 0.00 2.01 0.00 0.00 34.83 34.44 3duq s MET 20 CO 0.00 -0.87 -0.01 2.41 -0.01 0.00 0.00 175.02 176.53 3duq n THR 21 N -0.91 0.99 0.00 2.05 -1.04 -1.26 -4.95 114.28 109.16 3duq n THR 21 Ca 0.10 -0.54 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 3duq n THR 21 Cb 0.48 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 3duq n THR 21 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3duq n GLU 22 N -2.67 0.00 -0.31 -2.82 -0.58 -1.26 -0.98 120.64 112.01 3duq n GLU 22 Ca -0.26 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.59 3duq n GLU 22 Cb 0.92 0.00 0.28 0.00 -0.57 0.00 0.00 31.44 32.07 3duq n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3duq n ASP 23 N 0.32 3.68 -4.75 1.62 8.00 -0.65 -4.97 116.55 119.80 3duq n ASP 23 Ca 0.00 -1.99 -0.41 0.00 0.71 0.00 0.00 54.79 53.09 3duq n ASP 23 Cb 0.00 -0.41 -0.02 0.00 -0.02 0.00 0.00 41.12 40.67 3duq n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3duq s VAL 24 N -1.04 2.70 -0.59 2.53 1.01 -0.16 -4.94 120.40 119.92 3duq s VAL 24 Ca 0.42 0.61 -0.27 0.00 0.00 0.00 0.00 61.98 62.74 3duq s VAL 24 Cb 0.22 -3.39 0.03 0.00 0.00 0.00 0.00 36.38 33.25 3duq s VAL 24 CO 0.29 0.11 1.15 0.21 0.00 0.00 0.00 175.10 176.86 3duq s ASN 25 N 0.18 6.39 0.00 3.32 3.84 -1.26 -4.88 114.94 122.53 3duq s ASN 25 Ca 0.57 -0.06 0.17 0.00 0.21 0.00 0.00 52.86 53.74 3duq s ASN 25 Cb -0.41 -2.53 0.92 0.00 -0.55 0.00 0.00 41.25 38.68 3duq s ASN 25 CO 0.45 -1.47 1.46 0.18 -2.79 0.00 0.00 177.10 174.93 3duq n LEU 26 N 8.33 0.00 0.08 3.21 4.77 -1.26 -1.89 117.00 130.24 3duq n LEU 26 Ca 0.06 0.15 -0.07 0.00 -0.03 0.00 0.00 56.01 56.12 3duq n LEU 26 Cb 0.49 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 3duq n LEU 26 CO 0.70 -0.07 0.18 0.00 -1.33 0.00 0.00 177.39 176.87 3duq h ALA 27 N 2.92 0.42 -0.01 -1.18 0.00 -2.00 -3.28 119.26 116.12 3duq h ALA 27 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.06 3duq h ALA 27 Cb 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3duq h ALA 27 CO 0.00 1.14 -0.09 0.09 0.00 0.00 0.00 179.25 180.40 3duq n ASN 28 N -3.45 1.07 -4.83 0.00 5.03 -0.79 -4.85 115.26 107.44 3duq n ASN 28 Ca -0.01 -1.15 -0.37 0.00 0.87 0.00 0.00 54.58 53.93 3duq n ASN 28 Cb 0.90 0.02 -0.06 0.00 -1.02 0.00 0.00 39.78 39.62 3duq n ASN 28 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3duq s ARG 29 N -2.21 4.04 0.00 3.52 0.52 -1.24 -0.86 118.95 122.73 3duq s ARG 29 Ca 0.34 0.56 0.00 0.00 -0.52 0.00 0.00 55.73 56.11 3duq s ARG 29 Cb 0.20 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.60 3duq s ARG 29 CO 0.41 0.56 0.00 -1.13 0.02 0.00 0.00 175.30 175.16 3duq n SER 30 N 1.24 -0.29 -4.96 0.23 3.41 -0.12 -4.97 113.62 108.16 3duq n SER 30 Ca -0.08 -0.66 -0.22 0.00 -0.26 0.00 0.00 58.87 57.65 3duq n SER 30 Cb 0.52 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 3duq n SER 30 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3duq s GLY 31 N -2.47 1.27 0.66 5.00 0.00 -1.26 -4.71 107.32 105.82 3duq s GLY 31 Ca 0.00 -1.23 -0.17 0.00 0.00 0.00 0.00 44.72 43.32 3duq s GLY 31 CO 0.00 -1.24 1.23 -0.62 0.00 0.00 0.00 173.10 172.47 3duq n VAL 32 N -1.31 4.46 -2.96 1.40 0.31 -1.26 -4.34 118.33 114.63 3duq n VAL 32 Ca -0.09 -0.47 -0.06 0.00 -0.01 0.00 0.00 64.34 63.71 3duq n VAL 32 Cb 0.57 -1.41 0.02 0.00 -0.91 0.00 0.00 33.84 32.11 3duq n VAL 32 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3duq n GLY 33 N 0.94 1.84 3.63 2.92 0.00 0.18 -4.92 105.19 109.78 3duq n GLY 33 Ca 0.15 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 3duq n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3duq s PRO 34 N -2.87 0.32 -0.17 1.61 0.04 -1.26 -4.62 135.00 128.06 3duq s PRO 34 Ca 0.19 0.83 -0.08 0.00 0.04 0.00 0.00 61.00 61.99 3duq s PRO 34 Cb -0.02 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 3duq s PRO 34 CO 0.12 -2.89 0.09 -0.06 0.04 0.00 0.00 177.00 174.31 3duq s PHE 35 N -2.76 3.37 -0.25 0.56 0.40 -1.26 -3.02 117.98 115.02 3duq s PHE 35 Ca 0.66 0.26 -0.10 0.00 -0.60 0.00 0.00 56.93 57.15 3duq s PHE 35 Cb -0.21 -2.05 -0.05 0.00 0.51 0.00 0.00 43.02 41.22 3duq s PHE 35 CO 0.60 0.34 0.15 0.45 0.70 0.00 0.00 175.22 177.46 3duq s SER 36 N -0.02 5.93 0.46 1.36 0.15 0.86 -4.89 113.70 117.56 3duq s SER 36 Ca 0.08 0.03 0.26 0.00 0.70 0.00 0.00 55.95 57.02 3duq s SER 36 Cb -0.12 -2.08 0.64 0.00 -1.71 0.00 0.00 66.02 62.75 3duq s SER 36 CO 0.00 0.02 1.72 0.74 1.20 0.00 0.00 173.24 176.92 3duq h THR 37 N 5.20 0.00 0.30 6.45 2.02 -1.98 -1.65 112.91 123.26 3duq h THR 37 Ca -0.37 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 3duq h THR 37 Cb 1.18 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 3duq h THR 37 CO 0.61 0.00 -0.15 0.25 0.37 0.00 0.00 175.52 176.60 3duq h LEU 38 N 0.00 -0.34 -1.86 2.58 5.85 -1.97 -3.04 115.31 116.52 3duq h LEU 38 Ca 0.00 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 3duq h LEU 38 Cb 0.86 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 3duq h LEU 38 CO 0.00 0.07 -0.14 -0.07 -0.34 0.00 0.00 178.44 177.96 3duq h LEU 39 N -0.83 0.00 -1.39 2.25 3.38 -1.83 -3.01 115.31 113.88 3duq h LEU 39 Ca -0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3duq h LEU 39 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3duq h LEU 39 CO 0.07 0.14 -0.17 1.23 0.09 0.00 0.00 178.44 179.80 3duq h GLY 40 N 0.74 0.21 2.00 0.83 0.00 -1.19 0.16 103.07 105.82 3duq h GLY 40 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3duq h GLY 40 CO 0.02 0.12 0.00 1.49 0.00 0.00 0.00 176.54 178.17 3duq h TRP 41 N 0.19 0.00 0.00 5.60 4.06 -1.48 -3.36 115.95 120.96 3duq h TRP 41 Ca 0.04 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.85 3duq h TRP 41 Cb 0.41 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.55 3duq h TRP 41 CO 0.01 0.00 -1.31 0.34 -3.56 0.00 0.00 178.44 173.91 3duq n PHE 42 N -2.79 0.00 -1.78 0.49 7.35 -0.93 -1.60 117.46 118.20 3duq n PHE 42 Ca 0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 3duq n PHE 42 Cb 0.38 -0.54 0.00 0.00 0.35 0.00 0.00 39.48 39.68 3duq n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3duq n GLY 43 N 1.80 5.41 3.77 7.13 0.00 0.51 -4.86 105.19 118.94 3duq n GLY 43 Ca -0.23 -1.24 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 3duq n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3duq s ASN 44 N 1.00 6.42 0.07 1.61 0.02 -1.26 -3.75 114.94 119.06 3duq s ASN 44 Ca 0.00 2.56 0.25 0.00 -1.02 0.00 0.00 52.86 54.65 3duq s ASN 44 Cb 0.00 -2.63 0.51 0.00 0.02 0.00 0.00 41.25 39.14 3duq s ASN 44 CO 0.00 -0.76 1.43 0.00 0.02 0.00 0.00 177.10 177.79 3duq n ALA 45 N 0.19 3.04 -2.61 0.60 0.00 -1.26 -4.21 120.51 116.26 3duq n ALA 45 Ca 0.03 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 3duq n ALA 45 Cb 0.44 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 3duq n ALA 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3duq s GLN 46 N -3.09 3.95 -0.21 0.00 0.74 -1.26 -0.10 119.66 119.68 3duq s GLN 46 Ca 0.09 0.55 -0.13 0.00 0.05 0.00 0.00 55.36 55.92 3duq s GLN 46 Cb 0.15 -3.73 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 3duq s GLN 46 CO 0.69 -0.67 0.29 -0.51 -0.55 0.00 0.00 175.29 174.54 3duq s LEU 47 N 2.92 4.15 0.04 3.68 1.43 -1.17 -4.97 118.68 124.77 3duq s LEU 47 Ca 0.32 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 3duq s LEU 47 Cb -0.14 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.75 3duq s LEU 47 CO 0.12 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.32 3duq n GLY 48 N 4.02 -1.36 3.93 -3.19 0.00 -1.26 0.49 105.19 107.82 3duq n GLY 48 Ca -0.12 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 3duq n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3duq s PRO 49 N -1.17 1.34 0.10 1.61 0.05 -1.26 -4.52 135.00 131.15 3duq s PRO 49 Ca 0.00 -0.27 0.06 0.00 0.05 0.00 0.00 61.00 60.85 3duq s PRO 49 Cb 0.00 -1.95 -0.03 0.00 0.05 0.00 0.00 34.50 32.56 3duq s PRO 49 CO 0.00 -1.93 -0.15 -1.50 0.05 0.00 0.00 177.00 173.46 3duq s ILE 50 N -3.66 1.33 -0.23 0.56 2.07 -1.26 -4.92 121.20 115.08 3duq s ILE 50 Ca 0.68 -1.54 -0.14 0.00 -1.41 0.00 0.00 60.65 58.23 3duq s ILE 50 Cb -0.07 -1.38 -0.04 0.00 0.13 0.00 0.00 42.46 41.10 3duq s ILE 50 CO 0.50 -0.29 0.31 -0.47 -1.91 0.00 0.00 174.94 173.09 3duq s TYR 51 N -1.66 3.31 0.00 3.50 6.14 -1.26 -0.95 117.35 126.43 3duq s TYR 51 Ca 0.05 0.43 0.00 0.00 0.64 0.00 0.00 57.07 58.18 3duq s TYR 51 Cb -0.08 -2.46 0.00 0.00 0.42 0.00 0.00 41.96 39.84 3duq s TYR 51 CO 0.03 -0.06 0.00 1.28 0.64 0.00 0.00 175.55 177.44 3duq n LEU 52 N 4.69 0.00 -0.09 6.97 4.77 -0.04 -4.91 117.00 128.39 3duq n LEU 52 Ca -0.10 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.89 3duq n LEU 52 Cb 0.51 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3duq n LEU 52 CO 0.37 0.00 -0.03 0.61 -1.33 0.00 0.00 177.39 177.02 3duq n GLY 53 N 3.11 -1.90 0.11 -0.72 0.00 -1.26 -3.72 105.19 100.81 3duq n GLY 53 Ca 0.00 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 3duq n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3duq h SER 54 N -0.09 0.25 -0.08 1.61 0.02 -2.00 -2.89 113.55 110.38 3duq h SER 54 Ca -0.00 -0.36 -0.11 0.00 -0.84 0.00 0.00 61.79 60.47 3duq h SER 54 Cb 0.09 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3duq h SER 54 CO 0.00 0.56 -0.29 0.25 -1.14 0.00 0.00 176.83 176.21 3duq h LEU 55 N -0.06 0.55 -0.20 5.07 5.85 -1.94 -1.68 115.31 122.90 3duq h LEU 55 Ca 0.03 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3duq h LEU 55 Cb 0.45 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3duq h LEU 55 CO 0.01 0.81 0.12 1.23 -0.34 0.00 0.00 178.44 180.27 3duq h GLY 56 N 1.03 0.30 0.78 3.75 0.00 -1.63 -0.50 103.07 106.79 3duq h GLY 56 Ca 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 3duq h GLY 56 CO 0.06 0.12 0.01 -2.08 0.00 0.00 0.00 176.54 174.65 3duq h VAL 57 N 0.24 1.24 0.12 4.60 2.07 -1.28 0.41 116.25 123.64 3duq h VAL 57 Ca 0.07 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.84 3duq h VAL 57 Cb 0.04 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3duq h VAL 57 CO -0.01 0.22 -0.28 0.25 0.02 0.00 0.00 177.57 177.77 3duq h LEU 58 N -0.04 -0.80 0.18 2.57 5.85 -1.28 0.44 115.31 122.23 3duq h LEU 58 Ca 0.04 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3duq h LEU 58 Cb 0.33 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 3duq h LEU 58 CO 0.00 -0.37 -0.45 -1.28 -0.34 0.00 0.00 178.44 176.01 3duq h SER 59 N -0.50 -1.31 -0.83 1.25 0.87 -1.01 0.18 113.55 112.20 3duq h SER 59 Ca 0.03 0.13 0.14 0.00 -1.23 0.00 0.00 61.79 60.86 3duq h SER 59 Cb 0.53 0.47 -0.06 0.00 -0.44 0.00 0.00 62.40 62.90 3duq h SER 59 CO -0.16 -0.50 0.54 0.25 -0.53 0.00 0.00 176.83 176.43 3duq h LEU 60 N -0.70 0.55 -0.00 2.23 5.85 0.08 0.20 115.31 123.51 3duq h LEU 60 Ca -0.02 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3duq h LEU 60 Cb 0.67 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3duq h LEU 60 CO -0.20 0.28 -0.06 0.15 -0.34 0.00 0.00 178.44 178.27 3duq h PHE 61 N 0.58 0.07 -0.59 1.25 3.57 0.43 -2.84 116.94 119.41 3duq h PHE 61 Ca 0.41 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.88 3duq h PHE 61 Cb 0.75 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 3duq h PHE 61 CO -0.00 0.80 0.39 0.77 -2.23 0.00 0.00 178.31 178.03 3duq h SER 62 N -0.68 0.68 -0.36 0.41 0.02 -0.30 -1.27 113.55 112.05 3duq h SER 62 Ca -0.01 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3duq h SER 62 Cb 0.81 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 3duq h SER 62 CO 0.01 0.49 0.17 1.23 -1.14 0.00 0.00 176.83 177.60 3duq h GLY 63 N 0.80 0.49 1.22 -3.77 0.00 -0.64 -0.09 103.07 101.09 3duq h GLY 63 Ca 0.22 -0.12 -0.20 0.00 0.00 0.00 0.00 47.33 47.22 3duq h GLY 63 CO -0.05 0.09 -0.67 1.41 0.00 0.00 0.00 176.54 177.32 3duq h LEU 64 N 0.36 0.91 -0.47 3.11 3.38 -1.21 -2.75 115.31 118.64 3duq h LEU 64 Ca 0.15 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.61 3duq h LEU 64 Cb 0.07 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3duq h LEU 64 CO -0.11 1.33 0.25 0.24 0.09 0.00 0.00 178.44 180.24 3duq h MET 65 N 0.57 0.49 0.33 1.13 2.86 -0.93 0.27 114.93 119.65 3duq h MET 65 Ca -0.02 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3duq h MET 65 Cb 1.28 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.81 3duq h MET 65 CO 0.14 0.32 -0.36 2.35 1.06 0.00 0.00 176.91 180.42 3duq h TRP 66 N 0.50 -0.98 -0.94 -0.22 7.01 -1.00 0.23 115.95 120.56 3duq h TRP 66 Ca 0.20 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.25 3duq h TRP 66 Cb 0.07 0.39 -0.06 0.00 -2.10 0.00 0.00 29.16 27.46 3duq h TRP 66 CO -0.09 -0.50 0.61 0.35 -2.79 0.00 0.00 178.44 176.03 3duq h PHE 67 N -0.73 1.13 0.02 2.65 3.57 -1.16 -2.28 116.94 120.15 3duq h PHE 67 Ca -0.02 0.03 -0.24 0.00 3.53 0.00 0.00 57.97 61.27 3duq h PHE 67 Cb 0.67 -0.38 0.02 0.00 2.79 0.00 0.00 35.95 39.05 3duq h PHE 67 CO -0.22 0.63 -0.95 0.74 -2.23 0.00 0.00 178.31 176.29 3duq h PHE 68 N 1.15 0.90 -0.61 0.41 0.04 -0.24 -1.29 116.94 117.31 3duq h PHE 68 Ca 0.38 -0.51 0.09 0.00 2.80 0.00 0.00 57.97 60.73 3duq h PHE 68 Cb 0.07 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.08 3duq h PHE 68 CO -0.00 1.35 0.41 1.15 -0.60 0.00 0.00 178.31 180.61 3duq h THR 69 N 0.21 0.92 -0.05 -1.55 2.02 -0.17 0.11 112.91 114.39 3duq h THR 69 Ca -0.13 -0.16 -0.16 0.00 0.77 0.00 0.00 66.41 66.73 3duq h THR 69 Cb 1.62 0.42 0.01 0.00 -1.74 0.00 0.00 68.15 68.46 3duq h THR 69 CO 0.18 0.08 -0.60 0.40 0.37 0.00 0.00 175.52 175.96 3duq h ILE 70 N 0.46 1.38 -0.53 3.11 2.04 -1.34 -3.21 117.51 119.42 3duq h ILE 70 Ca 0.28 -1.97 0.08 0.00 1.00 0.00 0.00 64.86 64.25 3duq h ILE 70 Cb 0.49 2.37 -0.06 0.00 -0.74 0.00 0.00 36.82 38.87 3duq h ILE 70 CO -0.08 0.59 0.17 1.23 0.00 0.00 0.00 178.15 180.06 3duq h GLY 71 N 0.07 0.70 1.46 5.37 0.00 0.19 -1.10 103.07 109.76 3duq h GLY 71 Ca -0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 3duq h GLY 71 CO 0.12 -0.02 -0.10 0.16 0.00 0.00 0.00 176.54 176.70 3duq h ILE 72 N 0.34 1.24 -0.30 2.60 3.07 -0.96 -1.72 117.51 121.78 3duq h ILE 72 Ca 0.26 -1.07 -0.01 0.00 1.55 0.00 0.00 64.86 65.59 3duq h ILE 72 Cb 0.31 1.06 -0.01 0.00 -0.27 0.00 0.00 36.82 37.91 3duq h ILE 72 CO -0.28 0.36 0.14 -0.25 -1.05 0.00 0.00 178.15 177.07 3duq h TRP 73 N 0.60 0.43 -0.48 0.16 2.91 -1.36 0.12 115.95 118.33 3duq h TRP 73 Ca 0.11 -0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.15 3duq h TRP 73 Cb 0.52 -0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 28.99 3duq h TRP 73 CO 0.02 0.39 0.23 0.74 -1.03 0.00 0.00 178.44 178.79 3duq h PHE 74 N 0.35 0.42 -0.46 2.65 -1.00 -0.77 -0.00 116.94 118.12 3duq h PHE 74 Ca 0.10 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.88 3duq h PHE 74 Cb 0.12 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 3duq h PHE 74 CO -0.02 0.20 0.21 -1.49 -1.61 0.00 0.00 178.31 175.60 3duq h TRP 75 N 0.45 0.68 -0.84 -0.55 4.06 -0.99 0.78 115.95 119.54 3duq h TRP 75 Ca 0.22 -0.04 0.04 0.00 2.06 0.00 0.00 58.89 61.16 3duq h TRP 75 Cb 0.15 -0.21 -0.05 0.00 -1.00 0.00 0.00 29.16 28.05 3duq h TRP 75 CO -0.11 0.55 0.55 -0.92 -3.56 0.00 0.00 178.44 174.95 3duq h TYR 76 N 0.61 1.01 -0.56 0.49 3.20 -0.05 -0.69 116.97 120.97 3duq h TYR 76 Ca 0.16 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 3duq h TYR 76 Cb 0.14 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 3duq h TYR 76 CO -0.01 0.58 -0.04 1.96 -1.64 0.00 0.00 178.16 179.01 3duq h GLN 77 N 1.04 1.01 0.00 1.82 4.20 -0.29 -3.18 115.11 119.71 3duq h GLN 77 Ca 0.34 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3duq h GLN 77 Cb 0.04 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3duq h GLN 77 CO -0.10 1.03 0.00 0.00 -0.67 0.00 0.00 178.83 179.09 3duq n ALA 78 N -2.48 2.17 -2.70 3.87 0.00 0.20 -4.82 120.51 116.74 3duq n ALA 78 Ca 0.02 -0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.19 3duq n ALA 78 Cb 0.36 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.53 3duq n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3duq n GLY 79 N 0.20 -0.19 2.22 0.00 0.00 -1.06 -2.52 105.19 103.85 3duq n GLY 79 Ca 0.13 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 3duq n GLY 79 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3duq n TRP 80 N -4.13 -0.25 -3.40 1.61 7.02 -0.94 -4.90 117.44 112.46 3duq n TRP 80 Ca -0.10 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 55.98 3duq n TRP 80 Cb 0.60 -2.41 -0.09 0.00 -2.42 0.00 0.00 31.31 26.99 3duq n TRP 80 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 3duq s ASN 81 N -2.00 6.21 0.57 -0.99 3.84 -1.05 -4.95 114.94 116.58 3duq s ASN 81 Ca 0.00 0.08 0.28 0.00 0.21 0.00 0.00 52.86 53.43 3duq s ASN 81 Cb 0.00 -2.20 1.68 0.00 -0.55 0.00 0.00 41.25 40.18 3duq s ASN 81 CO 0.00 -0.24 2.20 1.55 -2.79 0.00 0.00 177.10 177.81 3duq h PRO 82 N 8.30 0.00 0.03 0.43 0.13 -1.90 -0.53 132.00 138.46 3duq h PRO 82 Ca -0.31 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3duq h PRO 82 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3duq h PRO 82 CO 0.66 0.04 -0.01 0.00 -0.23 0.00 0.00 178.00 178.46 3duq h ALA 83 N 1.96 -0.04 -0.41 -0.56 0.00 -1.93 -2.62 119.26 115.65 3duq h ALA 83 Ca -0.00 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.62 3duq h ALA 83 Cb 0.10 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3duq h ALA 83 CO 0.01 -0.20 0.25 0.28 0.00 0.00 0.00 179.25 179.58 3duq h VAL 84 N -0.68 1.06 -0.85 0.00 2.07 -1.76 -0.26 116.25 115.82 3duq h VAL 84 Ca -0.00 -0.17 0.19 0.00 0.82 0.00 0.00 66.70 67.53 3duq h VAL 84 Cb 0.62 0.50 -0.11 0.00 -1.52 0.00 0.00 31.29 30.78 3duq h VAL 84 CO 0.01 0.09 0.36 0.15 0.02 0.00 0.00 177.57 178.20 3duq h PHE 85 N 0.51 0.60 0.06 1.57 3.57 -1.14 0.40 116.94 122.50 3duq h PHE 85 Ca 0.16 0.04 -0.24 0.00 3.53 0.00 0.00 57.97 61.46 3duq h PHE 85 Cb -0.01 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 3duq h PHE 85 CO -0.07 -0.00 -1.07 -0.07 -2.23 0.00 0.00 178.31 174.87 3duq h LEU 86 N 0.42 0.41 -0.34 0.59 3.38 -0.97 -2.90 115.31 115.90 3duq h LEU 86 Ca 0.51 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 3duq h LEU 86 Cb 0.90 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3duq h LEU 86 CO -0.49 1.23 -0.13 -0.09 0.09 0.00 0.00 178.44 179.06 3duq h ARG 87 N 0.12 0.69 -0.48 1.13 2.43 0.75 -3.30 114.38 115.73 3duq h ARG 87 Ca -0.09 -0.29 -0.10 0.00 -0.81 0.00 0.00 59.98 58.69 3duq h ARG 87 Cb 1.75 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 31.22 3duq h ARG 87 CO 0.17 0.88 0.08 -0.25 -1.51 0.00 0.00 179.97 179.34 3duq n ASP 88 N -4.37 4.29 -0.04 -3.80 8.00 0.12 -4.71 116.55 116.04 3duq n ASP 88 Ca -0.02 -3.18 0.03 0.00 0.71 0.00 0.00 54.79 52.33 3duq n ASP 88 Cb 0.37 -0.65 0.39 0.00 -0.02 0.00 0.00 41.12 41.22 3duq n ASP 88 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3duq h LEU 89 N 2.30 0.54 0.00 0.64 5.85 -1.59 0.23 115.31 123.27 3duq h LEU 89 Ca 0.12 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3duq h LEU 89 Cb 1.86 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.75 3duq h LEU 89 CO 0.46 0.39 -0.50 0.49 -0.34 0.00 0.00 178.44 178.95 3duq n PHE 90 N -4.46 0.10 -0.01 1.25 3.72 -1.26 -4.06 117.46 112.73 3duq n PHE 90 Ca 0.04 0.03 -0.09 0.00 -0.05 0.00 0.00 57.45 57.38 3duq n PHE 90 Cb 0.06 -0.34 -0.14 0.00 -0.94 0.00 0.00 39.48 38.12 3duq n PHE 90 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 3duq h PHE 91 N 0.00 0.01 -4.16 1.38 0.04 -1.32 -1.43 116.94 111.46 3duq h PHE 91 Ca 0.00 -0.01 -0.53 0.00 2.80 0.00 0.00 57.97 60.23 3duq h PHE 91 Cb 0.55 -0.00 0.19 0.00 2.20 0.00 0.00 35.95 38.89 3duq h PHE 91 CO 0.00 1.02 0.23 1.19 -0.60 0.00 0.00 178.31 180.15 3duq n PHE 92 N -3.08 0.94 -3.64 -0.55 3.72 -1.00 -4.84 117.46 109.02 3duq n PHE 92 Ca -0.16 0.39 -0.06 0.00 -0.05 0.00 0.00 57.45 57.58 3duq n PHE 92 Cb 1.04 -2.05 -0.07 0.00 -0.94 0.00 0.00 39.48 37.47 3duq n PHE 92 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3duq s SER 93 N -2.28 -0.67 -0.50 4.37 0.15 -1.26 -4.41 113.70 109.09 3duq s SER 93 Ca 0.70 1.10 -0.16 0.00 0.70 0.00 0.00 55.95 58.30 3duq s SER 93 Cb -0.27 1.24 0.10 0.00 -1.71 0.00 0.00 66.02 65.38 3duq s SER 93 CO 0.54 -0.18 0.45 -0.22 1.20 0.00 0.00 173.24 175.04 3duq s LEU 94 N 1.21 5.86 0.15 3.45 2.96 0.77 -4.97 118.68 128.11 3duq s LEU 94 Ca -0.07 -1.52 -0.08 0.00 -0.22 0.00 0.00 54.13 52.24 3duq s LEU 94 Cb -0.04 -2.20 -0.06 0.00 0.50 0.00 0.00 46.19 44.38 3duq s LEU 94 CO -0.14 -0.75 0.43 -1.61 -1.32 0.00 0.00 176.35 172.96 3duq s GLU 95 N 1.66 3.72 1.13 1.98 0.41 -1.26 -0.31 118.70 126.03 3duq s GLU 95 Ca 0.04 0.10 -0.14 0.00 -0.41 0.00 0.00 54.97 54.56 3duq s GLU 95 Cb -0.27 -2.84 0.26 0.00 -1.78 0.00 0.00 34.13 29.50 3duq s GLU 95 CO 0.05 0.45 1.05 -1.25 -0.49 0.00 0.00 175.26 175.08 3duq s PRO 96 N -2.46 -0.61 0.68 0.39 0.04 -1.26 -4.49 135.00 127.28 3duq s PRO 96 Ca 0.40 0.52 -0.16 0.00 0.04 0.00 0.00 61.00 61.81 3duq s PRO 96 Cb -0.12 -1.62 0.01 0.00 0.04 0.00 0.00 34.50 32.81 3duq s PRO 96 CO 0.22 -3.44 1.18 -1.25 0.04 0.00 0.00 177.00 173.75 3duq s PRO 97 N -4.81 2.51 0.77 0.56 0.04 -1.26 -4.68 135.00 128.12 3duq s PRO 97 Ca 0.67 1.69 -0.15 0.00 0.04 0.00 0.00 61.00 63.26 3duq s PRO 97 Cb -0.20 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.50 3duq s PRO 97 CO 0.60 -1.53 1.14 0.00 0.04 0.00 0.00 177.00 177.25 3duq n ALA 98 N -2.34 0.02 0.33 8.56 0.00 -1.25 -3.24 120.51 122.58 3duq n ALA 98 Ca 0.13 -0.26 0.21 0.00 0.00 0.00 0.00 53.44 53.52 3duq n ALA 98 Cb 0.50 -2.21 1.12 0.00 0.00 0.00 0.00 19.45 18.86 3duq n ALA 98 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3duq h PRO 99 N -0.56 0.00 -0.52 0.00 0.13 -1.93 -2.55 132.00 126.57 3duq h PRO 99 Ca -0.47 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.72 3duq h PRO 99 Cb 1.31 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.39 3duq h PRO 99 CO 0.47 0.00 0.23 0.93 -0.23 0.00 0.00 178.00 179.40 3duq h GLU 100 N 0.00 0.43 0.00 0.86 3.07 -2.00 -2.50 114.58 114.44 3duq h GLU 100 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3duq h GLU 100 Cb 0.14 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3duq h GLU 100 CO -0.00 0.28 0.00 1.88 -1.40 0.00 0.00 179.01 179.77 3duq h TYR 101 N 0.44 0.00 0.00 4.33 0.05 -1.81 -3.49 116.97 116.49 3duq h TYR 101 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.02 3duq h TYR 101 Cb 0.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.95 3duq h TYR 101 CO -0.13 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.39 3duq n GLY 102 N 0.61 3.53 1.67 3.88 0.00 -0.94 -1.29 105.19 112.65 3duq n GLY 102 Ca 0.04 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 3duq n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3duq n LEU 103 N 0.00 4.98 -4.76 0.99 4.77 -1.17 -2.24 117.00 119.57 3duq n LEU 103 Ca 0.00 -2.60 -0.39 0.00 -0.03 0.00 0.00 56.01 52.99 3duq n LEU 103 Cb 0.00 -0.69 -0.05 0.00 -2.33 0.00 0.00 43.42 40.35 3duq n LEU 103 CO 0.00 0.73 0.70 -0.55 -1.33 0.00 0.00 177.39 176.94 3duq s SER 104 N -0.51 7.42 -0.21 -1.43 0.15 -0.41 -4.95 113.70 113.76 3duq s SER 104 Ca 0.37 2.04 0.15 0.00 0.70 0.00 0.00 55.95 59.21 3duq s SER 104 Cb 0.30 -2.61 0.77 0.00 -1.71 0.00 0.00 66.02 62.77 3duq s SER 104 CO 0.08 -0.01 1.69 0.49 1.20 0.00 0.00 173.24 176.69 3duq n PHE 105 N 1.16 1.85 0.04 3.44 3.72 -1.26 -4.40 117.46 122.01 3duq n PHE 105 Ca -0.01 -0.73 0.04 0.00 -0.05 0.00 0.00 57.45 56.71 3duq n PHE 105 Cb 0.47 -0.45 0.09 0.00 -0.94 0.00 0.00 39.48 38.66 3duq n PHE 105 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3duq n ALA 106 N 0.56 2.27 -1.71 4.37 0.00 -1.26 -5.02 120.51 119.72 3duq n ALA 106 Ca 0.27 -0.92 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 3duq n ALA 106 Cb 1.11 -0.33 -0.01 0.00 0.00 0.00 0.00 19.45 20.22 3duq n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3duq n ALA 107 N 0.38 1.42 -0.69 0.00 0.00 -1.26 -4.94 120.51 115.42 3duq n ALA 107 Ca 0.08 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.57 3duq n ALA 107 Cb 0.33 -2.27 0.17 0.00 0.00 0.00 0.00 19.45 17.67 3duq n ALA 107 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3duq s PRO 108 N -1.89 1.01 0.10 0.00 0.01 -1.26 -3.89 135.00 129.08 3duq s PRO 108 Ca 0.55 1.57 -0.17 0.00 0.01 0.00 0.00 61.00 62.96 3duq s PRO 108 Cb -0.56 -1.73 -0.05 0.00 0.01 0.00 0.00 34.50 32.17 3duq s PRO 108 CO 0.62 -2.65 1.56 -0.07 0.01 0.00 0.00 177.00 176.47 3duq h LEU 109 N -1.87 0.52 0.00 -5.54 3.38 -1.92 0.33 115.31 110.22 3duq h LEU 109 Ca -0.43 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.25 3duq h LEU 109 Cb 1.27 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3duq h LEU 109 CO 0.41 0.68 0.00 0.29 0.09 0.00 0.00 178.44 179.92 3duq n LYS 110 N -4.58 0.11 -0.26 1.13 5.02 -1.26 -2.88 118.16 115.44 3duq n LYS 110 Ca -0.02 0.13 0.07 0.00 -2.02 0.00 0.00 58.31 56.47 3duq n LYS 110 Cb 0.24 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.94 3duq n LYS 110 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3duq n GLU 111 N -1.42 2.58 0.00 1.97 1.02 -0.83 -4.93 120.64 119.04 3duq n GLU 111 Ca 0.07 -2.46 0.00 0.00 -0.02 0.00 0.00 57.16 54.74 3duq n GLU 111 Cb 0.21 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 3duq n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3duq n GLY 112 N -0.47 0.85 0.28 0.62 0.00 -0.86 -3.95 105.19 101.67 3duq n GLY 112 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 3duq n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3duq h GLY 113 N 0.00 0.99 1.71 -0.02 0.00 -0.93 -2.39 103.07 102.43 3duq h GLY 113 Ca 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.50 3duq h GLY 113 CO 0.00 0.72 -0.02 -2.00 0.00 0.00 0.00 176.54 175.24 3duq h LEU 114 N 0.82 0.34 -0.65 3.11 5.85 -1.76 -2.12 115.31 120.90 3duq h LEU 114 Ca 0.13 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3duq h LEU 114 Cb 0.66 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3duq h LEU 114 CO 0.05 0.42 0.03 -0.25 -0.34 0.00 0.00 178.44 178.35 3duq h TRP 115 N 0.36 1.16 -0.61 1.25 7.01 -1.70 -2.15 115.95 121.28 3duq h TRP 115 Ca 0.08 -0.19 -0.08 0.00 2.11 0.00 0.00 58.89 60.81 3duq h TRP 115 Cb 0.28 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 3duq h TRP 115 CO 0.01 1.01 0.06 -0.07 -2.79 0.00 0.00 178.44 176.66 3duq h LEU 116 N 0.99 0.98 0.14 0.65 3.38 -1.18 -0.47 115.31 119.81 3duq h LEU 116 Ca 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3duq h LEU 116 Cb 0.53 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3duq h LEU 116 CO 0.03 1.01 -0.07 0.40 0.09 0.00 0.00 178.44 179.89 3duq h ILE 117 N 0.95 0.93 -0.28 1.22 2.04 -1.22 0.12 117.51 121.26 3duq h ILE 117 Ca 0.18 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.82 3duq h ILE 117 Cb 0.47 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 3duq h ILE 117 CO 0.02 0.06 0.02 0.00 0.00 0.00 0.00 178.15 178.25 3duq h ALA 118 N 0.53 0.26 -0.21 1.87 0.00 -1.25 -0.39 119.26 120.07 3duq h ALA 118 Ca -0.02 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3duq h ALA 118 Cb 0.25 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3duq h ALA 118 CO 0.03 -0.40 0.13 0.77 0.00 0.00 0.00 179.25 179.79 3duq h SER 119 N 0.11 0.25 -0.98 0.00 0.02 -0.97 0.33 113.55 112.31 3duq h SER 119 Ca 0.13 -0.04 0.15 0.00 -0.84 0.00 0.00 61.79 61.20 3duq h SER 119 Cb 0.16 -0.06 -0.10 0.00 0.14 0.00 0.00 62.40 62.55 3duq h SER 119 CO -0.21 0.22 0.59 0.15 -1.14 0.00 0.00 176.83 176.44 3duq h PHE 120 N 0.27 1.05 -0.38 3.45 3.57 -0.24 0.45 116.94 125.11 3duq h PHE 120 Ca 0.08 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 3duq h PHE 120 Cb 0.01 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 3duq h PHE 120 CO -0.05 0.31 0.01 0.74 -2.23 0.00 0.00 178.31 177.09 3duq h PHE 121 N 0.83 0.72 -0.68 0.41 0.04 -0.29 -2.64 116.94 115.34 3duq h PHE 121 Ca 0.53 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 61.12 3duq h PHE 121 Cb 0.69 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.62 3duq h PHE 121 CO -0.02 0.75 0.23 1.98 -0.60 0.00 0.00 178.31 180.64 3duq h MET 122 N 0.49 1.05 0.08 1.51 4.05 0.14 -0.80 114.93 121.44 3duq h MET 122 Ca 0.11 -0.22 0.02 0.00 -0.28 0.00 0.00 59.70 59.33 3duq h MET 122 Cb 0.45 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 31.06 3duq h MET 122 CO 0.02 0.90 -0.30 0.35 0.23 0.00 0.00 176.91 178.11 3duq h PHE 123 N 0.99 -0.81 -0.51 1.39 3.57 -0.09 0.12 116.94 121.60 3duq h PHE 123 Ca 0.22 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.67 3duq h PHE 123 Cb 0.28 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 3duq h PHE 123 CO 0.02 -0.40 0.01 0.28 -2.23 0.00 0.00 178.31 175.99 3duq h VAL 124 N -0.49 1.25 0.19 1.41 2.07 -1.37 -1.80 116.25 117.50 3duq h VAL 124 Ca 0.04 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.55 3duq h VAL 124 Cb 0.54 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3duq h VAL 124 CO -0.20 0.36 -0.21 0.00 0.02 0.00 0.00 177.57 177.54 3duq h ALA 125 N 1.22 -0.40 -0.24 1.67 0.00 -0.45 -2.09 119.26 118.97 3duq h ALA 125 Ca 0.15 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3duq h ALA 125 Cb 0.46 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3duq h ALA 125 CO 0.02 -0.76 -0.08 0.28 0.00 0.00 0.00 179.25 178.71 3duq h VAL 126 N -0.43 1.29 -0.56 0.00 2.07 -0.60 -2.34 116.25 115.68 3duq h VAL 126 Ca 0.00 -1.12 -0.11 0.00 0.82 0.00 0.00 66.70 66.29 3duq h VAL 126 Cb 0.41 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3duq h VAL 126 CO -0.06 0.35 -0.06 -0.50 0.02 0.00 0.00 177.57 177.32 3duq h TRP 127 N 0.21 1.15 -0.61 1.57 4.06 -1.34 -0.68 115.95 120.31 3duq h TRP 127 Ca 0.06 -0.22 -0.03 0.00 2.06 0.00 0.00 58.89 60.75 3duq h TRP 127 Cb 0.57 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 28.41 3duq h TRP 127 CO 0.06 1.04 0.25 0.66 -3.56 0.00 0.00 178.44 176.88 3duq h SER 128 N 0.92 0.84 0.26 -3.49 4.64 -1.37 -0.45 113.55 114.90 3duq h SER 128 Ca 0.15 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 3duq h SER 128 Cb 0.62 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3duq h SER 128 CO 0.04 0.78 -0.21 -0.25 -0.87 0.00 0.00 176.83 176.32 3duq h TRP 129 N 0.85 0.00 0.02 4.77 2.91 -1.13 0.25 115.95 123.62 3duq h TRP 129 Ca 0.20 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.22 3duq h TRP 129 Cb 0.20 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.85 3duq h TRP 129 CO 0.01 0.21 -0.01 2.35 -1.03 0.00 0.00 178.44 179.97 3duq h TRP 130 N 0.00 -0.03 -0.06 2.65 7.01 0.01 -2.22 115.95 123.31 3duq h TRP 130 Ca -0.00 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.01 3duq h TRP 130 Cb 0.40 0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.47 3duq h TRP 130 CO 0.00 0.33 0.04 0.78 -2.79 0.00 0.00 178.44 176.80 3duq h GLY 131 N -0.39 0.00 0.87 2.65 0.00 -0.43 -0.66 103.07 105.11 3duq h GLY 131 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3duq h GLY 131 CO 0.01 0.00 0.06 -0.09 0.00 0.00 0.00 176.54 176.52 3duq h ARG 132 N 0.00 0.36 -0.52 4.80 2.43 -0.74 -1.24 114.38 119.48 3duq h ARG 132 Ca 0.03 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3duq h ARG 132 Cb 0.12 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3duq h ARG 132 CO -0.00 0.46 0.35 1.79 -1.51 0.00 0.00 179.97 181.06 3duq h THR 133 N 0.19 1.10 0.23 0.20 1.35 -0.51 -1.28 112.91 114.20 3duq h THR 133 Ca 0.07 -0.23 -0.01 0.00 -0.55 0.00 0.00 66.41 65.69 3duq h THR 133 Cb 0.26 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 3duq h THR 133 CO -0.00 0.12 -0.11 0.22 -0.25 0.00 0.00 175.52 175.50 3duq h TYR 134 N 0.66 -0.29 -0.47 4.73 5.03 -1.09 -3.18 116.97 122.36 3duq h TYR 134 Ca 0.20 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.52 3duq h TYR 134 Cb -0.01 0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.34 3duq h TYR 134 CO -0.00 0.10 0.29 -0.07 -1.32 0.00 0.00 178.16 177.16 3duq h LEU 135 N -0.84 0.48 -1.68 2.82 3.38 -1.01 -1.16 115.31 117.31 3duq h LEU 135 Ca -0.03 -0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.07 3duq h LEU 135 Cb 0.51 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3duq h LEU 135 CO 0.05 0.34 0.46 0.03 0.09 0.00 0.00 178.44 179.41 3duq h ARG 136 N 0.58 0.32 0.10 1.13 -0.00 -1.35 0.24 114.38 115.40 3duq h ARG 136 Ca 0.18 -0.02 -0.24 0.00 -0.50 0.00 0.00 59.98 59.40 3duq h ARG 136 Cb -0.01 -0.07 0.02 0.00 0.00 0.00 0.00 29.97 29.91 3duq h ARG 136 CO -0.07 0.21 -1.00 0.00 0.00 0.00 0.00 179.97 179.11 3duq h ALA 137 N 1.68 -0.01 -0.55 0.04 0.00 -1.32 -3.30 119.26 115.80 3duq h ALA 137 Ca 0.32 -0.71 0.02 0.00 0.00 0.00 0.00 54.91 54.54 3duq h ALA 137 Cb 0.80 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3duq h ALA 137 CO -0.09 0.54 0.34 0.37 0.00 0.00 0.00 179.25 180.41 3duq h GLN 138 N 0.04 0.67 0.00 0.00 4.15 -0.03 -1.52 115.11 118.42 3duq h GLN 138 Ca -0.15 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.23 3duq h GLN 138 Cb 1.72 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.26 3duq h GLN 138 CO 0.19 0.44 0.00 0.00 -1.93 0.00 0.00 178.83 177.53 3duq n ALA 139 N -2.27 1.87 0.06 3.38 0.00 -0.05 -1.54 120.51 121.96 3duq n ALA 139 Ca 0.04 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.41 3duq n ALA 139 Cb 0.06 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3duq n ALA 139 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3duq n LEU 140 N -1.18 0.87 -0.17 0.00 4.77 -0.66 -1.64 117.00 118.99 3duq n LEU 140 Ca 0.08 -0.88 -0.02 0.00 -0.03 0.00 0.00 56.01 55.15 3duq n LEU 140 Cb 0.09 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3duq n LEU 140 CO 0.10 0.21 -0.02 0.61 -1.33 0.00 0.00 177.39 176.95 3duq n GLY 141 N 0.31 0.56 3.93 -0.72 0.00 -0.59 -4.96 105.19 103.72 3duq n GLY 141 Ca 0.01 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 3duq n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3duq s MET 142 N -2.08 3.36 1.00 1.61 -1.94 -0.70 -5.02 119.30 115.53 3duq s MET 142 Ca 0.00 -0.12 -0.11 0.00 -1.71 0.00 0.00 55.69 53.75 3duq s MET 142 Cb 0.00 -2.49 0.18 0.00 2.01 0.00 0.00 34.83 34.54 3duq s MET 142 CO 0.00 -0.17 1.06 0.41 -0.01 0.00 0.00 175.02 176.31 3duq n GLY 143 N -2.12 -0.94 1.82 -0.03 0.00 -1.26 -4.47 105.19 98.20 3duq n GLY 143 Ca -0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 3duq n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3duq n LYS 144 N -4.31 2.25 -0.30 1.61 4.01 -1.26 -4.65 118.16 115.51 3duq n LYS 144 Ca 0.09 -3.08 0.01 0.00 -0.51 0.00 0.00 58.31 54.83 3duq n LYS 144 Cb 0.53 -2.05 0.15 0.00 -0.51 0.00 0.00 35.03 33.14 3duq n LYS 144 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3duq h HIS 145 N 1.16 0.93 -0.17 2.13 3.86 -1.98 -1.96 115.15 119.11 3duq h HIS 145 Ca 0.45 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.69 3duq h HIS 145 Cb 2.39 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 30.56 3duq h HIS 145 CO 1.36 0.44 0.09 1.15 0.86 0.00 0.00 177.93 181.84 3duq h THR 146 N 0.89 1.11 -0.65 2.45 2.02 -1.94 0.15 112.91 116.94 3duq h THR 146 Ca 0.38 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3duq h THR 146 Cb 0.23 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 3duq h THR 146 CO -0.20 0.10 0.38 0.00 0.37 0.00 0.00 175.52 176.17 3duq h ALA 147 N 0.98 0.83 -0.33 6.16 0.00 -1.70 -0.07 119.26 125.13 3duq h ALA 147 Ca 0.06 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3duq h ALA 147 Cb 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3duq h ALA 147 CO -0.01 0.32 -0.24 -1.49 0.00 0.00 0.00 179.25 177.83 3duq h TRP 148 N 0.88 0.88 -0.74 0.00 -0.00 -1.22 -1.42 115.95 114.33 3duq h TRP 148 Ca 0.23 -0.24 0.03 0.00 -0.00 0.00 0.00 58.89 58.91 3duq h TRP 148 Cb 0.00 -0.19 -0.04 0.00 -0.00 0.00 0.00 29.16 28.92 3duq h TRP 148 CO -0.01 0.99 0.47 0.00 -0.00 0.00 0.00 178.44 179.89 3duq h ALA 149 N 0.75 0.97 -0.30 1.49 0.00 -0.53 -2.06 119.26 119.57 3duq h ALA 149 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3duq h ALA 149 Cb 0.80 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3duq h ALA 149 CO 0.06 0.28 0.06 0.35 0.00 0.00 0.00 179.25 180.01 3duq h PHE 150 N 0.94 0.43 -0.16 0.00 3.57 -0.80 -2.42 116.94 118.50 3duq h PHE 150 Ca 0.29 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 3duq h PHE 150 Cb -0.01 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3duq h PHE 150 CO -0.03 0.39 -0.01 1.25 -2.23 0.00 0.00 178.31 177.68 3duq h LEU 151 N 0.43 0.21 0.38 0.59 5.85 -0.52 -1.69 115.31 120.55 3duq h LEU 151 Ca 0.10 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3duq h LEU 151 Cb 0.19 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3duq h LEU 151 CO -0.00 0.26 -0.18 -1.28 -0.34 0.00 0.00 178.44 176.90 3duq h SER 152 N 0.22 -0.43 -0.03 1.25 0.87 -1.38 -0.11 113.55 113.95 3duq h SER 152 Ca 0.05 -0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.61 3duq h SER 152 Cb 0.18 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.20 3duq h SER 152 CO 0.00 -0.24 -0.38 0.00 -0.53 0.00 0.00 176.83 175.69 3duq h ALA 153 N 0.01 -0.56 -1.04 6.23 0.00 -1.55 -1.10 119.26 121.25 3duq h ALA 153 Ca -0.05 -0.02 0.27 0.00 0.00 0.00 0.00 54.91 55.10 3duq h ALA 153 Cb 0.44 0.67 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 3duq h ALA 153 CO 0.09 -0.90 0.68 0.82 0.00 0.00 0.00 179.25 179.94 3duq h ILE 154 N -0.52 0.52 0.25 0.00 2.04 -1.08 -1.09 117.51 117.65 3duq h ILE 154 Ca 0.06 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.80 3duq h ILE 154 Cb 0.61 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3duq h ILE 154 CO -0.31 0.07 -0.38 -0.25 0.00 0.00 0.00 178.15 177.28 3duq h TRP 155 N 0.37 -1.03 -0.95 1.37 -0.00 0.32 0.35 115.95 116.38 3duq h TRP 155 Ca 0.59 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 59.51 3duq h TRP 155 Cb 1.54 0.42 -0.05 0.00 -0.00 0.00 0.00 29.16 31.06 3duq h TRP 155 CO -0.00 -0.50 0.62 1.25 -0.00 0.00 0.00 178.44 179.81 3duq h LEU 156 N -0.70 1.05 -0.18 0.65 5.85 -1.08 -0.28 115.31 120.63 3duq h LEU 156 Ca -0.00 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 3duq h LEU 156 Cb 0.67 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 3duq h LEU 156 CO -0.14 0.74 -0.30 -0.25 -0.34 0.00 0.00 178.44 178.15 3duq h TRP 157 N 1.23 0.65 -0.65 1.25 7.01 -1.28 -1.23 115.95 122.93 3duq h TRP 157 Ca 0.36 -0.23 0.10 0.00 2.11 0.00 0.00 58.89 61.24 3duq h TRP 157 Cb -0.07 -0.12 -0.07 0.00 -2.10 0.00 0.00 29.16 26.80 3duq h TRP 157 CO -0.00 0.94 0.26 0.52 -2.79 0.00 0.00 178.44 177.37 3duq h MET 158 N 0.17 0.43 -0.34 2.65 2.86 0.12 -2.53 114.93 118.28 3duq h MET 158 Ca 0.01 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 3duq h MET 158 Cb 0.89 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 3duq h MET 158 CO 0.07 0.29 -0.24 0.28 1.06 0.00 0.00 176.91 178.37 3duq h VAL 159 N 0.45 1.29 0.06 -2.22 2.07 -0.92 -0.36 116.25 116.62 3duq h VAL 159 Ca 0.33 -1.39 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 3duq h VAL 159 Cb 0.41 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3duq h VAL 159 CO -0.31 0.45 -0.03 -0.07 0.02 0.00 0.00 177.57 177.63 3duq h LEU 160 N 0.55 -0.07 -2.24 2.57 3.38 -0.82 -2.01 115.31 116.66 3duq h LEU 160 Ca 0.07 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3duq h LEU 160 Cb 0.80 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3duq h LEU 160 CO 0.06 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.33 3duq n GLY 161 N -0.61 1.40 1.82 0.83 0.00 -1.00 -4.36 105.19 103.27 3duq n GLY 161 Ca -0.08 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3duq n GLY 161 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3duq n PHE 162 N 0.68 -1.36 -0.12 1.61 7.35 -0.51 -4.79 117.46 120.32 3duq n PHE 162 Ca 0.10 0.24 -0.11 0.00 -0.76 0.00 0.00 57.45 56.92 3duq n PHE 162 Cb 0.39 0.46 -0.02 0.00 0.35 0.00 0.00 39.48 40.65 3duq n PHE 162 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3duq h ILE 163 N 0.00 1.27 0.01 -2.13 2.04 -1.23 -1.97 117.51 115.49 3duq h ILE 163 Ca 0.00 -1.09 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 3duq h ILE 163 Cb 0.00 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3duq h ILE 163 CO 0.00 0.36 -0.00 -0.09 0.00 0.00 0.00 178.15 178.42 3duq h ARG 164 N 0.47 -0.01 -0.96 2.37 2.43 -1.59 -1.38 114.38 115.71 3duq h ARG 164 Ca 0.10 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.46 3duq h ARG 164 Cb 0.54 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.01 3duq h ARG 164 CO 0.03 0.57 0.61 -1.35 -1.51 0.00 0.00 179.97 178.32 3duq h PRO 165 N -0.60 0.61 -0.18 0.20 0.11 -1.77 -1.22 132.00 129.14 3duq h PRO 165 Ca -0.00 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 65.87 3duq h PRO 165 Cb 0.59 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.57 3duq h PRO 165 CO 0.00 0.40 -0.70 0.82 -0.21 0.00 0.00 178.00 178.31 3duq h ILE 166 N 0.63 1.29 0.00 4.15 2.04 -1.27 -1.36 117.51 122.97 3duq h ILE 166 Ca 0.53 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 64.47 3duq h ILE 166 Cb 0.99 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 3duq h ILE 166 CO -0.28 0.61 0.00 0.18 0.00 0.00 0.00 178.15 178.66 3duq n LEU 167 N -3.95 0.67 0.03 1.44 4.77 -0.53 -2.92 117.00 116.53 3duq n LEU 167 Ca -0.06 0.61 0.09 0.00 -0.03 0.00 0.00 56.01 56.62 3duq n LEU 167 Cb 0.71 -0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 3duq n LEU 167 CO 0.52 -0.33 -0.45 0.23 -1.33 0.00 0.00 177.39 176.02 3duq n MET 168 N -2.18 0.64 0.00 3.23 2.81 -0.54 -4.99 117.12 116.09 3duq n MET 168 Ca 0.04 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3duq n MET 168 Cb 0.33 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 3duq n MET 168 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3duq n GLY 169 N 1.27 0.73 3.58 3.03 0.00 -0.97 -5.08 105.19 107.74 3duq n GLY 169 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 3duq n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3duq s SER 170 N -2.44 -0.66 0.57 1.61 1.04 -0.55 -3.03 113.70 110.24 3duq s SER 170 Ca 0.00 0.99 0.34 0.00 0.48 0.00 0.00 55.95 57.76 3duq s SER 170 Cb 0.00 0.91 1.63 0.00 0.10 0.00 0.00 66.02 68.66 3duq s SER 170 CO 0.00 -0.41 2.10 -0.50 0.98 0.00 0.00 173.24 175.40 3duq h TRP 171 N 3.84 0.00 0.00 5.02 -0.00 -1.64 -2.89 115.95 120.27 3duq h TRP 171 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.62 3duq h TRP 171 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.31 3duq h TRP 171 CO 0.37 0.05 0.00 0.66 -0.00 0.00 0.00 178.44 179.52 3duq h SER 172 N 0.00 0.00 0.28 -3.49 4.64 -1.80 0.37 113.55 113.54 3duq h SER 172 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3duq h SER 172 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3duq h SER 172 CO 0.01 0.00 -0.04 -0.62 -0.87 0.00 0.00 176.83 175.31 3duq n GLU 173 N -2.78 0.79 -2.07 4.77 -0.58 -1.09 -4.89 120.64 114.80 3duq n GLU 173 Ca -0.02 -0.15 -0.28 0.00 -0.42 0.00 0.00 57.16 56.29 3duq n GLU 173 Cb 0.07 -1.50 0.14 0.00 -0.57 0.00 0.00 31.44 29.58 3duq n GLU 173 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3duq s ALA 174 N -2.31 2.67 -0.09 0.62 0.00 0.12 -4.78 121.76 117.98 3duq s ALA 174 Ca 0.36 -1.15 -0.20 0.00 0.00 0.00 0.00 51.96 50.97 3duq s ALA 174 Cb 0.21 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 3duq s ALA 174 CO 0.43 -1.99 0.56 0.08 0.00 0.00 0.00 175.76 174.84 3duq s VAL 175 N -3.63 5.13 0.47 0.00 1.01 -1.26 -4.86 120.40 117.26 3duq s VAL 175 Ca 0.69 1.14 -0.21 0.00 0.00 0.00 0.00 61.98 63.60 3duq s VAL 175 Cb -0.06 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 3duq s VAL 175 CO 0.50 0.30 1.04 -2.16 0.00 0.00 0.00 175.10 174.78 3duq s PRO 176 N 0.64 3.85 -0.36 2.72 0.04 -1.26 -4.82 135.00 135.81 3duq s PRO 176 Ca 0.30 1.38 -0.26 0.00 0.04 0.00 0.00 61.00 62.47 3duq s PRO 176 Cb -0.16 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.24 3duq s PRO 176 CO 0.13 -0.40 0.93 0.71 0.04 0.00 0.00 177.00 178.41 3duq s TYR 177 N -1.94 3.10 0.00 0.56 2.02 0.58 -4.40 117.35 117.27 3duq s TYR 177 Ca 0.66 0.83 0.00 0.00 -0.37 0.00 0.00 57.07 58.19 3duq s TYR 177 Cb -0.17 -3.60 0.00 0.00 -0.40 0.00 0.00 41.96 37.79 3duq s TYR 177 CO 0.21 -0.79 0.00 0.41 -1.57 0.00 0.00 175.55 173.81 3duq n GLY 178 N 4.30 1.79 0.24 0.71 0.00 -1.26 -0.16 105.19 110.81 3duq n GLY 178 Ca 0.07 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 3duq n GLY 178 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3duq h ILE 179 N 1.44 0.00 0.00 -0.61 1.08 -1.77 -2.84 117.51 114.81 3duq h ILE 179 Ca 0.00 -0.58 -0.20 0.00 -0.39 0.00 0.00 64.86 63.69 3duq h ILE 179 Cb 0.00 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.74 3duq h ILE 179 CO 0.00 0.00 -0.88 -0.26 -0.69 0.00 0.00 178.15 176.32 3duq h PHE 180 N -1.13 0.32 -0.47 1.37 0.04 -1.56 -3.23 116.94 112.28 3duq h PHE 180 Ca -0.06 -0.18 -0.09 0.00 2.80 0.00 0.00 57.97 60.45 3duq h PHE 180 Cb 0.42 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 3duq h PHE 180 CO 0.00 0.99 -0.05 0.66 -0.60 0.00 0.00 178.31 179.31 3duq h SER 181 N 0.12 0.79 1.25 2.17 4.64 -1.75 -1.11 113.55 119.66 3duq h SER 181 Ca -0.05 -0.22 -0.10 0.00 -0.47 0.00 0.00 61.79 60.95 3duq h SER 181 Cb 1.51 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 3duq h SER 181 CO 0.14 0.89 -0.48 1.12 -0.87 0.00 0.00 176.83 177.63 3duq h HIS 182 N 0.75 0.00 -0.15 4.77 2.07 -1.58 -1.32 115.15 119.69 3duq h HIS 182 Ca 0.14 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.65 3duq h HIS 182 Cb 0.53 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.50 3duq h HIS 182 CO 0.03 0.48 0.07 -0.07 -3.07 0.00 0.00 177.93 175.37 3duq h LEU 183 N 0.00 0.19 -0.23 6.12 3.38 -1.49 -2.42 115.31 120.86 3duq h LEU 183 Ca -0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3duq h LEU 183 Cb 1.24 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3duq h LEU 183 CO 0.06 0.25 0.12 0.44 0.09 0.00 0.00 178.44 179.41 3duq h ASP 184 N 0.11 0.28 -0.99 -0.43 3.32 -0.99 -1.49 116.42 116.23 3duq h ASP 184 Ca 0.05 -0.09 0.15 0.00 0.02 0.00 0.00 57.03 57.16 3duq h ASP 184 Cb 0.11 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 39.50 3duq h ASP 184 CO -0.01 0.29 0.62 -0.25 -1.72 0.00 0.00 179.24 178.17 3duq h TRP 185 N 0.26 1.07 0.06 4.55 7.01 -1.22 0.32 115.95 127.99 3duq h TRP 185 Ca 0.08 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 3duq h TRP 185 Cb 0.07 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 26.80 3duq h TRP 185 CO -0.04 0.36 -0.03 1.15 -2.79 0.00 0.00 178.44 177.10 3duq h THR 186 N 0.88 1.21 -1.00 2.65 2.02 -1.10 0.21 112.91 117.78 3duq h THR 186 Ca 0.51 -0.91 0.05 0.00 0.77 0.00 0.00 66.41 66.83 3duq h THR 186 Cb 0.66 1.80 -0.06 0.00 -1.74 0.00 0.00 68.15 68.81 3duq h THR 186 CO -0.29 0.23 0.65 -1.13 0.37 0.00 0.00 175.52 175.35 3duq h ASN 187 N -0.49 1.07 0.11 4.18 -1.24 -0.37 -2.57 115.58 116.27 3duq h ASN 187 Ca -0.01 -0.00 -0.22 0.00 0.71 0.00 0.00 56.30 56.78 3duq h ASN 187 Cb 0.43 -0.24 0.01 0.00 0.73 0.00 0.00 38.32 39.25 3duq h ASN 187 CO 0.01 0.72 -0.84 -1.13 -1.29 0.00 0.00 177.43 174.90 3duq h ASN 188 N 1.23 0.71 -0.85 1.15 -0.00 -0.29 -3.12 115.58 114.40 3duq h ASN 188 Ca 0.41 -0.50 0.11 0.00 -0.00 0.00 0.00 56.30 56.31 3duq h ASN 188 Cb 0.05 -0.21 -0.06 0.00 -0.00 0.00 0.00 38.32 38.10 3duq h ASN 188 CO -0.14 1.28 0.55 0.15 -0.00 0.00 0.00 177.43 179.27 3duq h PHE 189 N 0.37 0.86 -0.29 0.67 3.04 -0.17 -1.84 116.94 119.58 3duq h PHE 189 Ca -0.06 0.02 -0.19 0.00 3.98 0.00 0.00 57.97 61.72 3duq h PHE 189 Cb 1.46 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 39.69 3duq h PHE 189 CO 0.07 0.38 -0.55 1.03 -2.02 0.00 0.00 178.31 177.22 3duq h SER 190 N 0.79 0.99 -0.84 0.41 0.87 -1.46 -2.87 113.55 111.44 3duq h SER 190 Ca 0.40 -0.53 -0.03 0.00 -1.23 0.00 0.00 61.79 60.40 3duq h SER 190 Cb 0.48 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 3duq h SER 190 CO -0.17 1.33 0.41 -0.07 -0.53 0.00 0.00 176.83 177.80 3duq h LEU 191 N 0.68 1.10 -0.53 2.23 3.38 -1.34 0.45 115.31 121.27 3duq h LEU 191 Ca 0.01 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 3duq h LEU 191 Cb 1.16 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3duq h LEU 191 CO 0.12 0.92 -0.72 0.58 0.09 0.00 0.00 178.44 179.44 3duq h VAL 192 N 1.20 1.49 -0.67 1.22 2.07 -1.35 -3.17 116.25 117.05 3duq h VAL 192 Ca 0.29 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.32 3duq h VAL 192 Cb 0.11 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3duq h VAL 192 CO -0.04 0.70 0.00 1.41 0.02 0.00 0.00 177.57 179.67 3duq n HIS 193 N -3.65 0.88 -1.67 1.57 8.25 -1.06 -4.80 115.22 114.75 3duq n HIS 193 Ca -0.01 -0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 3duq n HIS 193 Cb 0.71 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.82 3duq n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3duq n GLY 194 N 1.61 0.90 1.43 -1.41 0.00 -0.95 0.38 105.19 107.15 3duq n GLY 194 Ca 0.23 -0.57 -0.00 0.00 0.00 0.00 0.00 46.02 45.68 3duq n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3duq n ASN 195 N 1.26 -2.69 0.10 1.61 5.15 0.15 -3.39 115.26 117.46 3duq n ASN 195 Ca 0.00 0.30 0.07 0.00 -0.60 0.00 0.00 54.58 54.35 3duq n ASN 195 Cb 0.37 -1.78 0.36 0.00 -0.53 0.00 0.00 39.78 38.19 3duq n ASN 195 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3duq n LEU 196 N 0.33 0.34 0.14 1.20 4.32 -1.25 -1.88 117.00 120.19 3duq n LEU 196 Ca -0.03 0.65 0.12 0.00 -0.02 0.00 0.00 56.01 56.73 3duq n LEU 196 Cb 0.05 -0.69 0.52 0.00 -1.62 0.00 0.00 43.42 41.68 3duq n LEU 196 CO 0.03 -0.75 0.85 0.49 -1.22 0.00 0.00 177.39 176.80 3duq n PHE 197 N -1.95 0.82 1.04 -1.77 3.72 -1.26 -1.07 117.46 116.98 3duq n PHE 197 Ca -0.01 0.34 0.11 0.00 -0.05 0.00 0.00 57.45 57.85 3duq n PHE 197 Cb 0.03 -1.05 0.04 0.00 -0.94 0.00 0.00 39.48 37.56 3duq n PHE 197 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3duq n TYR 198 N -2.26 0.00 -2.44 1.38 4.01 -0.79 -4.83 117.16 112.22 3duq n TYR 198 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 3duq n TYR 198 Cb 0.19 -0.03 -0.02 0.00 -0.31 0.00 0.00 39.34 39.16 3duq n TYR 198 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3duq s ASN 199 N -2.66 6.53 0.39 7.72 3.84 -0.23 -4.85 114.94 125.68 3duq s ASN 199 Ca 0.16 0.85 0.28 0.00 0.21 0.00 0.00 52.86 54.36 3duq s ASN 199 Cb 0.18 -2.54 1.00 0.00 -0.55 0.00 0.00 41.25 39.33 3duq s ASN 199 CO 0.66 -1.27 1.81 1.55 -2.79 0.00 0.00 177.10 177.06 3duq h PRO 200 N 9.84 0.00 -0.30 0.43 0.13 -1.88 -1.82 132.00 138.40 3duq h PRO 200 Ca -0.26 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.79 3duq h PRO 200 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3duq h PRO 200 CO 1.08 0.00 -0.13 0.74 -0.23 0.00 0.00 178.00 179.46 3duq h PHE 201 N 0.00 0.72 -0.86 1.56 0.04 -1.90 -0.99 116.94 115.50 3duq h PHE 201 Ca 0.00 -0.17 0.11 0.00 2.80 0.00 0.00 57.97 60.70 3duq h PHE 201 Cb 0.58 -0.17 -0.08 0.00 2.20 0.00 0.00 35.95 38.49 3duq h PHE 201 CO 0.00 0.84 0.50 1.25 -0.60 0.00 0.00 178.31 180.30 3duq h HIS 202 N 0.38 0.90 -0.17 -0.55 2.76 -1.63 0.58 115.15 117.42 3duq h HIS 202 Ca 0.07 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.11 3duq h HIS 202 Cb 0.64 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 3duq h HIS 202 CO 0.06 0.35 -0.57 0.78 -1.30 0.00 0.00 177.93 177.25 3duq h GLY 203 N 0.81 0.57 0.81 5.26 0.00 -1.20 -1.73 103.07 107.60 3duq h GLY 203 Ca 0.43 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 3duq h GLY 203 CO -0.26 0.60 0.01 -2.00 0.00 0.00 0.00 176.54 174.88 3duq h LEU 204 N 0.39 0.31 -1.07 3.11 5.85 0.08 -2.69 115.31 121.30 3duq h LEU 204 Ca 0.00 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.50 3duq h LEU 204 Cb 1.11 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.99 3duq h LEU 204 CO 0.10 0.54 0.62 -1.28 -0.34 0.00 0.00 178.44 178.08 3duq h SER 205 N 0.08 0.96 -0.35 1.25 0.87 0.24 -0.86 113.55 115.75 3duq h SER 205 Ca 0.05 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.50 3duq h SER 205 Cb 0.37 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3duq h SER 205 CO 0.01 0.60 -0.27 0.40 -0.53 0.00 0.00 176.83 177.04 3duq h ILE 206 N 1.08 1.27 -0.69 2.23 2.04 -1.23 -1.82 117.51 120.38 3duq h ILE 206 Ca 0.43 -1.42 0.04 0.00 1.00 0.00 0.00 64.86 64.91 3duq h ILE 206 Cb 0.25 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3duq h ILE 206 CO -0.18 0.48 0.42 0.00 0.00 0.00 0.00 178.15 178.87 3duq h ALA 207 N 0.95 0.91 0.00 1.87 0.00 -0.84 0.13 119.26 122.28 3duq h ALA 207 Ca 0.09 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3duq h ALA 207 Cb 0.82 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3duq h ALA 207 CO 0.07 0.17 -0.56 0.74 0.00 0.00 0.00 179.25 179.67 3duq h PHE 208 N 0.81 0.00 0.11 0.00 0.04 -1.26 0.15 116.94 116.79 3duq h PHE 208 Ca 0.29 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.05 3duq h PHE 208 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 3duq h PHE 208 CO -0.05 0.56 -0.05 1.25 -0.60 0.00 0.00 178.31 179.42 3duq h LEU 209 N 0.00 -0.12 -0.92 1.54 5.85 -0.77 -0.09 115.31 120.81 3duq h LEU 209 Ca -0.01 -0.45 0.11 0.00 0.84 0.00 0.00 57.88 58.38 3duq h LEU 209 Cb 1.17 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 42.15 3duq h LEU 209 CO 0.07 0.45 0.55 1.88 -0.34 0.00 0.00 178.44 181.06 3duq h TYR 210 N -0.77 1.00 -0.47 1.25 0.05 -0.78 -1.94 116.97 115.31 3duq h TYR 210 Ca -0.01 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.69 3duq h TYR 210 Cb 0.56 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 3duq h TYR 210 CO 0.10 0.39 -0.15 0.78 -1.05 0.00 0.00 178.16 178.24 3duq h GLY 211 N 0.89 0.98 0.98 3.88 0.00 -0.92 -1.53 103.07 107.34 3duq h GLY 211 Ca 0.45 -0.79 0.01 0.00 0.00 0.00 0.00 47.33 47.00 3duq h GLY 211 CO -0.27 0.73 0.53 1.76 0.00 0.00 0.00 176.54 179.29 3duq h SER 212 N 0.80 0.92 -0.25 0.19 0.02 -0.22 0.52 113.55 115.52 3duq h SER 212 Ca 0.12 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3duq h SER 212 Cb 0.68 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3duq h SER 212 CO 0.05 0.66 -0.02 0.00 -1.14 0.00 0.00 176.83 176.38 3duq h ALA 213 N 1.31 0.33 -0.48 3.77 0.00 -1.21 0.41 119.26 123.39 3duq h ALA 213 Ca 0.30 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3duq h ALA 213 Cb -0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3duq h ALA 213 CO -0.08 0.08 0.17 1.25 0.00 0.00 0.00 179.25 180.67 3duq h LEU 214 N 0.21 0.17 0.00 0.00 5.85 -0.36 0.77 115.31 121.94 3duq h LEU 214 Ca 0.07 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3duq h LEU 214 Cb 0.44 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3duq h LEU 214 CO 0.02 0.13 -0.00 0.25 -0.34 0.00 0.00 178.44 178.49 3duq h LEU 215 N 0.34 -0.00 -1.82 2.25 5.85 0.10 -1.04 115.31 120.99 3duq h LEU 215 Ca 0.23 -0.72 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 3duq h LEU 215 Cb 0.24 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3duq h LEU 215 CO -0.23 0.72 -0.14 0.15 -0.34 0.00 0.00 178.44 178.59 3duq h PHE 216 N -0.73 0.00 -0.28 1.25 3.04 -0.89 0.63 116.94 119.96 3duq h PHE 216 Ca -0.00 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 3duq h PHE 216 Cb 0.72 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.22 3duq h PHE 216 CO 0.18 0.14 0.04 0.00 -2.02 0.00 0.00 178.31 176.66 3duq h ALA 217 N 1.86 0.37 0.18 2.41 0.00 -0.74 -0.82 119.26 122.52 3duq h ALA 217 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3duq h ALA 217 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3duq h ALA 217 CO 0.02 0.06 -0.09 0.52 0.00 0.00 0.00 179.25 179.76 3duq h MET 218 N 0.28 -0.24 0.05 0.00 2.86 0.44 -1.74 114.93 116.58 3duq h MET 218 Ca 0.08 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3duq h MET 218 Cb 0.34 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3duq h MET 218 CO 0.01 -0.01 -0.03 1.25 1.06 0.00 0.00 176.91 179.20 3duq h HIS 219 N -0.44 -0.07 0.18 -0.22 6.17 0.15 -1.71 115.15 119.21 3duq h HIS 219 Ca -0.03 -0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.06 3duq h HIS 219 Cb 0.34 0.02 -0.02 0.00 2.52 0.00 0.00 27.41 30.27 3duq h HIS 219 CO -0.01 0.00 -0.23 0.78 0.71 0.00 0.00 177.93 179.18 3duq h GLY 220 N -0.12 -0.47 2.00 5.26 0.00 -1.16 -0.75 103.07 107.83 3duq h GLY 220 Ca -0.01 0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 3duq h GLY 220 CO 0.01 -0.21 -0.13 0.00 0.00 0.00 0.00 176.54 176.21 3duq h ALA 221 N 0.26 1.53 0.23 3.60 0.00 -1.24 -1.80 119.26 121.85 3duq h ALA 221 Ca 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3duq h ALA 221 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3duq h ALA 221 CO -0.09 0.16 -0.11 1.15 0.00 0.00 0.00 179.25 180.36 3duq h THR 222 N 0.00 0.64 -0.98 0.00 2.02 -0.47 0.31 112.91 114.43 3duq h THR 222 Ca -0.00 -0.94 0.12 0.00 0.77 0.00 0.00 66.41 66.35 3duq h THR 222 Cb 0.27 1.05 -0.08 0.00 -1.74 0.00 0.00 68.15 67.65 3duq h THR 222 CO 0.02 0.16 0.60 0.40 0.37 0.00 0.00 175.52 177.07 3duq h ILE 223 N -0.91 0.91 -0.54 3.11 1.08 -0.93 0.18 117.51 120.41 3duq h ILE 223 Ca -0.03 -0.33 -0.09 0.00 -0.39 0.00 0.00 64.86 64.02 3duq h ILE 223 Cb 0.50 -0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 34.10 3duq h ILE 223 CO 0.05 0.17 -0.02 -0.07 -0.69 0.00 0.00 178.15 177.60 3duq h LEU 224 N 0.96 0.92 -1.79 1.44 3.38 -1.27 0.28 115.31 119.23 3duq h LEU 224 Ca 0.48 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3duq h LEU 224 Cb 0.48 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3duq h LEU 224 CO -0.27 0.99 -0.15 0.00 0.09 0.00 0.00 178.44 179.10 3duq h ALA 225 N 1.11 1.49 -0.14 1.53 0.00 0.15 -2.82 119.26 120.57 3duq h ALA 225 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3duq h ALA 225 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3duq h ALA 225 CO 0.03 0.19 0.00 1.33 0.00 0.00 0.00 179.25 180.80 3duq n VAL 226 N -3.98 1.46 0.28 0.00 0.24 -0.40 -4.50 118.33 111.43 3duq n VAL 226 Ca -0.02 -1.46 0.17 0.00 -2.04 0.00 0.00 64.34 60.99 3duq n VAL 226 Cb 0.24 0.18 0.73 0.00 -1.47 0.00 0.00 33.84 33.52 3duq n VAL 226 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3duq h SER 227 N 0.89 0.00 0.00 -1.34 4.64 -0.67 -0.38 113.55 116.68 3duq h SER 227 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3duq h SER 227 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3duq h SER 227 CO 0.04 0.01 0.01 -2.11 -0.87 0.00 0.00 176.83 173.92 3duq n ARG 228 N -3.11 0.00 -0.28 4.77 1.85 -1.26 -0.70 116.66 117.92 3duq n ARG 228 Ca 0.00 0.10 0.04 0.00 -1.00 0.00 0.00 57.85 57.00 3duq n ARG 228 Cb 0.29 -1.51 0.06 0.00 -1.05 0.00 0.00 32.46 30.25 3duq n ARG 228 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3duq n PHE 229 N -1.07 0.00 -2.88 2.89 3.72 -0.17 -5.00 117.46 114.95 3duq n PHE 229 Ca 0.00 -0.45 -0.10 0.00 -0.05 0.00 0.00 57.45 56.86 3duq n PHE 229 Cb 0.01 -0.09 0.04 0.00 -0.94 0.00 0.00 39.48 38.50 3duq n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3duq n GLY 230 N -0.64 0.21 0.23 1.37 0.00 0.12 -4.61 105.19 101.88 3duq n GLY 230 Ca 0.07 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 3duq n GLY 230 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3duq h GLY 231 N -1.11 0.78 1.88 -0.02 0.00 -1.64 -2.90 103.07 100.06 3duq h GLY 231 Ca -0.26 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.70 3duq h GLY 231 CO 0.24 0.35 0.06 1.05 0.00 0.00 0.00 176.54 178.25 3duq h GLU 232 N 0.69 0.00 -3.71 4.80 9.09 -1.86 -3.21 114.58 120.38 3duq h GLU 232 Ca 0.18 0.00 -0.72 0.00 0.05 0.00 0.00 59.36 58.87 3duq h GLU 232 Cb 0.08 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.11 3duq h GLU 232 CO -0.03 0.00 2.87 0.54 0.05 0.00 0.00 179.01 182.44 3duq n ARG 233 N -3.09 3.21 -0.06 1.06 1.74 -1.10 -4.74 116.66 113.69 3duq n ARG 233 Ca -0.03 -2.86 -0.05 0.00 -0.77 0.00 0.00 57.85 54.14 3duq n ARG 233 Cb 0.13 -3.12 0.15 0.00 -1.02 0.00 0.00 32.46 28.60 3duq n ARG 233 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3duq h GLU 234 N 5.78 0.68 -0.59 5.56 5.08 -1.83 -2.85 114.58 126.41 3duq h GLU 234 Ca 0.55 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.62 3duq h GLU 234 Cb 0.59 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3duq h GLU 234 CO 1.79 0.81 0.14 -0.07 -1.00 0.00 0.00 179.01 180.69 3duq h LEU 235 N 0.61 0.89 -0.74 1.33 3.38 -1.92 -0.68 115.31 118.18 3duq h LEU 235 Ca 0.10 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 3duq h LEU 235 Cb 0.62 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3duq h LEU 235 CO 0.04 0.89 -0.54 -0.08 0.09 0.00 0.00 178.44 178.84 3duq h GLU 236 N 0.85 0.24 0.00 1.13 4.57 -1.93 -1.54 114.58 117.90 3duq h GLU 236 Ca 0.18 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 3duq h GLU 236 Cb 0.35 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3duq h GLU 236 CO 0.00 0.72 -0.24 1.96 -1.18 0.00 0.00 179.01 180.27 3duq h GLN 237 N 0.18 0.00 0.02 1.92 1.08 -1.25 0.83 115.11 117.90 3duq h GLN 237 Ca 0.00 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.94 3duq h GLN 237 Cb 1.02 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.47 3duq h GLN 237 CO 0.08 0.24 -1.06 0.82 -0.95 0.00 0.00 178.83 177.97 3duq h ILE 238 N 0.00 1.30 0.00 2.54 2.04 -0.91 -2.91 117.51 119.57 3duq h ILE 238 Ca -0.00 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.55 3duq h ILE 238 Cb 0.84 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 3duq h ILE 238 CO 0.03 0.71 -0.31 0.00 0.00 0.00 0.00 178.15 178.58 3duq h ALA 239 N 0.44 0.84 -0.74 1.87 0.00 -0.74 -3.43 119.26 117.50 3duq h ALA 239 Ca -0.13 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3duq h ALA 239 Cb 1.71 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 19.31 3duq h ALA 239 CO 0.20 0.00 -0.31 0.34 0.00 0.00 0.00 179.25 179.48 3duq s ASP 240 N -5.79 -1.16 -0.18 0.00 2.15 0.29 -5.06 116.67 106.91 3duq s ASP 240 Ca 0.05 -0.36 -0.37 0.00 0.43 0.00 0.00 52.55 52.30 3duq s ASP 240 Cb 0.07 1.55 -0.14 0.00 -0.30 0.00 0.00 42.92 44.11 3duq s ASP 240 CO 0.70 -0.16 1.82 -1.14 -0.17 0.00 0.00 175.17 176.23 3duq n ARG 241 N 4.52 1.70 -2.83 4.34 0.63 -1.10 -4.13 116.66 119.79 3duq n ARG 241 Ca 0.08 0.62 -0.20 0.00 -0.92 0.00 0.00 57.85 57.44 3duq n ARG 241 Cb 0.58 -2.39 0.05 0.00 0.45 0.00 0.00 32.46 31.14 3duq n ARG 241 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3duq s GLY 242 N 3.88 1.82 0.44 5.14 0.00 -1.26 -4.98 107.32 112.36 3duq s GLY 242 Ca 0.96 -1.70 0.30 0.00 0.00 0.00 0.00 44.72 44.27 3duq s GLY 242 CO 0.58 -1.35 1.88 0.00 0.00 0.00 0.00 173.10 174.22 3duq h THR 243 N 0.13 0.00 -0.29 0.90 1.03 -1.94 -2.72 112.91 110.03 3duq h THR 243 Ca -0.37 -0.42 0.00 0.00 -0.01 0.00 0.00 66.41 65.61 3duq h THR 243 Cb 1.28 1.33 -0.01 0.00 -1.07 0.00 0.00 68.15 69.68 3duq h THR 243 CO 0.45 0.00 0.18 0.00 -0.01 0.00 0.00 175.52 176.14 3duq h ALA 244 N 2.10 0.37 -0.05 0.00 0.00 -1.90 -0.06 119.26 119.73 3duq h ALA 244 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3duq h ALA 244 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3duq h ALA 244 CO 0.00 -0.15 -0.40 0.00 0.00 0.00 0.00 179.25 178.69 3duq h ALA 245 N 1.09 1.24 -0.00 0.00 0.00 -1.86 -0.63 119.26 119.09 3duq h ALA 245 Ca 0.11 -0.39 -0.23 0.00 0.00 0.00 0.00 54.91 54.40 3duq h ALA 245 Cb -0.02 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.71 3duq h ALA 245 CO -0.02 0.54 -0.91 0.93 0.00 0.00 0.00 179.25 179.79 3duq h GLU 246 N 0.09 0.62 -0.48 0.00 5.08 -1.49 0.16 114.58 118.56 3duq h GLU 246 Ca 0.01 -0.66 -0.11 0.00 -1.00 0.00 0.00 59.36 57.59 3duq h GLU 246 Cb 0.76 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 3duq h GLU 246 CO 0.06 1.26 -0.15 0.00 -1.00 0.00 0.00 179.01 179.18 3duq h ARG 247 N 0.24 0.91 0.46 2.33 3.08 -0.95 0.18 114.38 120.64 3duq h ARG 247 Ca -0.11 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.57 3duq h ARG 247 Cb 1.58 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.58 3duq h ARG 247 CO 0.18 1.00 -0.22 0.00 -1.07 0.00 0.00 179.97 179.85 3duq h ALA 248 N 1.02 -0.62 -0.54 0.04 0.00 -0.95 1.00 119.26 119.20 3duq h ALA 248 Ca 0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3duq h ALA 248 Cb 0.69 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3duq h ALA 248 CO 0.05 -0.81 0.32 0.00 0.00 0.00 0.00 179.25 178.81 3duq h ALA 249 N -0.18 0.69 -0.23 0.00 0.00 -0.62 -3.07 119.26 115.84 3duq h ALA 249 Ca -0.06 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 3duq h ALA 249 Cb 0.51 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3duq h ALA 249 CO 0.10 0.18 -0.47 -0.07 0.00 0.00 0.00 179.25 178.99 3duq h LEU 250 N 0.73 0.67 -0.91 0.00 3.38 -0.57 0.79 115.31 119.41 3duq h LEU 250 Ca 0.19 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.89 3duq h LEU 250 Cb 0.00 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 3duq h LEU 250 CO -0.03 1.04 0.57 0.15 0.09 0.00 0.00 178.44 180.26 3duq h PHE 251 N 0.49 1.06 0.11 1.13 3.04 -0.71 -1.50 116.94 120.56 3duq h PHE 251 Ca 0.03 0.03 -0.27 0.00 3.98 0.00 0.00 57.97 61.74 3duq h PHE 251 Cb 1.01 -0.35 0.01 0.00 2.56 0.00 0.00 35.95 39.18 3duq h PHE 251 CO 0.05 0.55 -1.19 -1.49 -2.02 0.00 0.00 178.31 174.20 3duq h TRP 252 N 1.05 0.54 -0.36 0.41 4.06 -1.42 -2.61 115.95 117.62 3duq h TRP 252 Ca 0.39 -0.37 -0.02 0.00 2.06 0.00 0.00 58.89 60.95 3duq h TRP 252 Cb 0.15 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.27 3duq h TRP 252 CO -0.02 1.27 0.15 -0.09 -3.56 0.00 0.00 178.44 176.19 3duq h ARG 253 N 0.11 0.53 0.00 0.49 2.43 -0.63 -0.93 114.38 116.37 3duq h ARG 253 Ca -0.13 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 58.90 3duq h ARG 253 Cb 1.90 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.36 3duq h ARG 253 CO 0.20 0.51 -0.24 -1.49 -1.51 0.00 0.00 179.97 177.44 3duq h TRP 254 N 0.44 0.00 0.00 2.20 6.55 -1.32 0.14 115.95 123.96 3duq h TRP 254 Ca 0.12 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.95 3duq h TRP 254 Cb 0.17 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.47 3duq h TRP 254 CO -0.01 0.24 -0.18 1.15 -1.05 0.00 0.00 178.44 178.59 3duq h THR 255 N 0.00 0.25 -0.02 1.49 2.02 -1.20 -3.43 112.91 112.03 3duq h THR 255 Ca -0.00 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.97 3duq h THR 255 Cb 0.63 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3duq h THR 255 CO 0.03 0.09 0.00 1.15 0.37 0.00 0.00 175.52 177.16 3duq n MET 256 N -4.70 0.12 0.00 6.66 0.00 -0.38 -5.03 117.12 113.78 3duq n MET 256 Ca -0.04 -0.86 0.00 0.00 0.00 0.00 0.00 57.70 56.80 3duq n MET 256 Cb 0.15 -1.05 0.00 0.00 0.00 0.00 0.00 33.22 32.32 3duq n MET 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3duq n GLY 257 N 0.05 2.31 2.11 3.17 0.00 0.49 -5.01 105.19 108.31 3duq n GLY 257 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3duq n GLY 257 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3duq n PHE 258 N -1.66 -0.70 -3.64 1.61 -1.74 -1.26 -4.95 117.46 105.13 3duq n PHE 258 Ca 0.00 -1.72 -0.04 0.00 -0.56 0.00 0.00 57.45 55.13 3duq n PHE 258 Cb 0.00 0.24 -0.01 0.00 1.52 0.00 0.00 39.48 41.23 3duq n PHE 258 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3duq s ASN 259 N -2.47 -0.21 0.35 5.98 4.22 -1.26 -3.01 114.94 118.54 3duq s ASN 259 Ca 0.24 -0.19 0.06 0.00 -2.14 0.00 0.00 52.86 50.82 3duq s ASN 259 Cb 0.01 0.36 -0.01 0.00 1.28 0.00 0.00 41.25 42.89 3duq s ASN 259 CO 0.17 -0.64 0.50 0.00 -2.04 0.00 0.00 177.10 175.09 3duq s ALA 260 N -2.99 4.21 0.39 3.54 0.00 -1.26 -5.07 121.76 120.59 3duq s ALA 260 Ca 0.10 -1.44 0.08 0.00 0.00 0.00 0.00 51.96 50.70 3duq s ALA 260 Cb -0.00 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.40 3duq s ALA 260 CO -0.03 -0.09 0.53 0.95 0.00 0.00 0.00 175.76 177.12 3duq s THR 261 N -2.23 3.32 0.19 0.00 -4.23 -1.26 -4.69 115.64 106.74 3duq s THR 261 Ca 0.46 -1.01 -0.12 0.00 -1.18 0.00 0.00 61.69 59.84 3duq s THR 261 Cb -0.10 -3.13 0.11 0.00 1.34 0.00 0.00 72.50 70.72 3duq s THR 261 CO 0.32 -0.05 1.81 -0.03 -0.54 0.00 0.00 174.62 176.13 3duq h MET 262 N 0.74 0.89 -0.38 3.99 4.05 -1.92 0.19 114.93 122.48 3duq h MET 262 Ca -0.42 -0.09 -0.06 0.00 -0.28 0.00 0.00 59.70 58.85 3duq h MET 262 Cb 1.27 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.88 3duq h MET 262 CO 0.48 0.65 0.02 1.49 0.23 0.00 0.00 176.91 179.78 3duq h GLU 263 N 0.88 0.66 -0.07 0.39 4.81 -1.93 -3.31 114.58 116.01 3duq h GLU 263 Ca 0.23 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3duq h GLU 263 Cb 0.01 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.27 3duq h GLU 263 CO -0.04 0.75 -0.30 0.78 -0.73 0.00 0.00 179.01 179.47 3duq h GLY 264 N 0.49 -0.43 0.12 1.92 0.00 -1.86 -2.38 103.07 100.92 3duq h GLY 264 Ca 0.11 0.36 0.23 0.00 0.00 0.00 0.00 47.33 48.03 3duq h GLY 264 CO 0.02 -0.22 0.63 1.19 0.00 0.00 0.00 176.54 178.16 3duq h ILE 265 N -0.41 0.63 0.00 2.60 6.09 -0.71 0.51 117.51 126.21 3duq h ILE 265 Ca 0.08 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.42 3duq h ILE 265 Cb 0.53 0.14 0.00 0.00 0.47 0.00 0.00 36.82 37.96 3duq h ILE 265 CO -0.30 0.08 0.00 0.45 -3.07 0.00 0.00 178.15 175.31 3duq h HIS 266 N 0.45 0.00 0.09 2.19 3.86 -1.54 -1.72 115.15 118.48 3duq h HIS 266 Ca 0.53 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 59.48 3duq h HIS 266 Cb 1.27 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.74 3duq h HIS 266 CO -0.00 0.00 -1.15 0.00 0.86 0.00 0.00 177.93 177.63 3duq h ARG 267 N 0.00 0.34 -0.26 2.45 3.08 0.14 -2.37 114.38 117.76 3duq h ARG 267 Ca 0.00 -0.49 0.04 0.00 0.07 0.00 0.00 59.98 59.61 3duq h ARG 267 Cb 0.70 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.88 3duq h ARG 267 CO 0.00 1.19 0.01 -1.49 -1.07 0.00 0.00 179.97 178.61 3duq h TRP 268 N 0.13 -0.00 0.12 3.04 4.06 -1.07 -2.61 115.95 119.62 3duq h TRP 268 Ca -0.12 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.84 3duq h TRP 268 Cb 1.85 0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 30.04 3duq h TRP 268 CO 0.07 -0.04 -0.17 0.00 -3.56 0.00 0.00 178.44 174.74 3duq h ALA 269 N 1.22 -0.82 -0.34 1.49 0.00 -1.32 -0.26 119.26 119.24 3duq h ALA 269 Ca 0.13 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.06 3duq h ALA 269 Cb 0.16 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3duq h ALA 269 CO -0.21 -0.84 0.24 0.97 0.00 0.00 0.00 179.25 179.41 3duq h ILE 270 N -0.30 0.87 0.22 0.00 2.10 -1.42 -1.66 117.51 117.32 3duq h ILE 270 Ca -0.01 -0.03 -0.33 0.00 1.08 0.00 0.00 64.86 65.57 3duq h ILE 270 Cb 0.27 0.78 0.03 0.00 -1.09 0.00 0.00 36.82 36.82 3duq h ILE 270 CO -0.05 0.02 -1.46 -0.50 -1.08 0.00 0.00 178.15 175.08 3duq h TRP 271 N 0.08 0.85 -0.62 2.19 4.06 -1.32 -2.43 115.95 118.75 3duq h TRP 271 Ca 0.16 -0.62 -0.01 0.00 2.06 0.00 0.00 58.89 60.48 3duq h TRP 271 Cb 0.52 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.61 3duq h TRP 271 CO -0.00 1.51 0.34 1.98 -3.56 0.00 0.00 178.44 178.70 3duq h MET 272 N 0.13 0.85 0.23 0.49 4.05 -0.11 -0.98 114.93 119.59 3duq h MET 272 Ca -0.24 -0.09 -0.34 0.00 -0.28 0.00 0.00 59.70 58.76 3duq h MET 272 Cb 2.12 -0.17 0.03 0.00 -0.80 0.00 0.00 31.60 32.78 3duq h MET 272 CO 0.25 0.63 -1.52 0.00 0.23 0.00 0.00 176.91 176.50 3duq h ALA 273 N 1.51 -0.08 0.00 0.39 0.00 -1.53 -3.30 119.26 116.25 3duq h ALA 273 Ca 0.22 -0.92 -0.05 0.00 0.00 0.00 0.00 54.91 54.16 3duq h ALA 273 Cb 0.03 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3duq h ALA 273 CO -0.04 0.79 -0.26 0.28 0.00 0.00 0.00 179.25 180.02 3duq h VAL 274 N 0.13 0.84 0.00 0.00 2.07 -1.24 -2.66 116.25 115.39 3duq h VAL 274 Ca -0.26 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.24 3duq h VAL 274 Cb 2.14 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 3duq h VAL 274 CO 0.25 0.25 0.00 -0.07 0.02 0.00 0.00 177.57 178.03 3duq h LEU 275 N 0.00 0.00 0.35 2.57 3.38 -1.26 -2.83 115.31 117.52 3duq h LEU 275 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3duq h LEU 275 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3duq h LEU 275 CO 0.03 0.00 -0.24 0.58 0.09 0.00 0.00 178.44 178.90 3duq h VAL 276 N 0.00 0.49 0.00 1.22 2.07 -1.58 -1.68 116.25 116.77 3duq h VAL 276 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3duq h VAL 276 Cb 0.80 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3duq h VAL 276 CO 0.00 0.00 -0.55 0.35 0.02 0.00 0.00 177.57 177.39 3duq n THR 277 N -5.37 0.06 0.10 2.57 -2.24 -1.24 -1.88 114.28 106.28 3duq n THR 277 Ca -0.10 -0.05 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 3duq n THR 277 Cb 0.28 0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.65 3duq n THR 277 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3duq h LEU 278 N 0.00 -0.30 -0.28 3.22 5.85 -1.37 -1.26 115.31 121.17 3duq h LEU 278 Ca 0.00 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 3duq h LEU 278 Cb 0.55 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3duq h LEU 278 CO 0.00 0.20 0.17 0.71 -0.34 0.00 0.00 178.44 179.18 3duq h THR 279 N -1.01 1.11 -0.35 1.05 1.35 -1.43 -2.93 112.91 110.70 3duq h THR 279 Ca -0.04 -0.27 0.04 0.00 -0.55 0.00 0.00 66.41 65.60 3duq h THR 279 Cb 0.43 0.78 -0.07 0.00 -1.73 0.00 0.00 68.15 67.56 3duq h THR 279 CO 0.06 0.11 -0.49 1.23 -0.25 0.00 0.00 175.52 176.17 3duq h GLY 280 N 0.35 -1.12 -0.46 5.82 0.00 -1.45 -0.78 103.07 105.43 3duq h GLY 280 Ca 0.10 0.73 0.15 0.00 0.00 0.00 0.00 47.33 48.31 3duq h GLY 280 CO -0.02 -0.19 -0.15 -1.33 0.00 0.00 0.00 176.54 174.84 3duq h GLY 281 N -0.36 0.58 0.94 4.60 0.00 -1.13 -0.60 103.07 107.09 3duq h GLY 281 Ca 0.06 0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 3duq h GLY 281 CO -0.52 -0.28 0.07 -2.22 0.00 0.00 0.00 176.54 173.59 3duq h ILE 282 N 0.01 1.09 -0.82 2.60 2.04 -1.17 -1.62 117.51 119.64 3duq h ILE 282 Ca 0.36 -0.25 0.13 0.00 1.00 0.00 0.00 64.86 66.10 3duq h ILE 282 Cb 0.57 1.03 -0.09 0.00 -0.74 0.00 0.00 36.82 37.59 3duq h ILE 282 CO -0.75 0.08 0.42 1.23 0.00 0.00 0.00 178.15 179.14 3duq h GLY 283 N 0.11 1.31 1.52 5.37 0.00 0.30 -1.97 103.07 109.70 3duq h GLY 283 Ca 0.05 -0.25 -0.21 0.00 0.00 0.00 0.00 47.33 46.92 3duq h GLY 283 CO -0.01 -0.00 -0.84 -2.22 0.00 0.00 0.00 176.54 173.47 3duq h ILE 284 N 0.63 1.38 -0.58 2.60 1.08 -1.28 -3.12 117.51 118.21 3duq h ILE 284 Ca 0.44 -2.26 -0.08 0.00 -0.39 0.00 0.00 64.86 62.56 3duq h ILE 284 Cb 0.57 2.24 -0.02 0.00 -3.07 0.00 0.00 36.82 36.54 3duq h ILE 284 CO -0.34 0.68 0.03 0.25 -0.69 0.00 0.00 178.15 178.08 3duq h LEU 285 N 0.28 0.95 -0.10 1.44 5.85 -0.55 -1.00 115.31 122.19 3duq h LEU 285 Ca -0.06 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3duq h LEU 285 Cb 1.45 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3duq h LEU 285 CO 0.15 0.99 0.00 0.18 -0.34 0.00 0.00 178.44 179.42 3duq n LEU 286 N -4.20 0.82 -4.60 2.25 4.77 -0.98 -4.31 117.00 110.76 3duq n LEU 286 Ca 0.03 0.59 -0.43 0.00 -0.03 0.00 0.00 56.01 56.18 3duq n LEU 286 Cb 0.32 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 3duq n LEU 286 CO 0.43 -0.24 1.12 -0.44 -1.33 0.00 0.00 177.39 176.93 3duq s SER 287 N -4.54 6.47 0.00 -1.43 0.01 -0.38 -1.59 113.70 112.24 3duq s SER 287 Ca 0.10 0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.91 3duq s SER 287 Cb 0.12 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.80 3duq s SER 287 CO 0.57 -1.37 0.00 0.61 0.41 0.00 0.00 173.24 173.46 3duq n GLY 288 N 4.99 1.10 0.09 3.44 0.00 0.23 -4.85 105.19 110.19 3duq n GLY 288 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 3duq n GLY 288 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3duq n THR 289 N -2.00 1.15 0.00 2.61 -2.24 -1.17 -4.77 114.28 107.85 3duq n THR 289 Ca 0.00 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3duq n THR 289 Cb 0.00 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 3duq n THR 289 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3duq n VAL 290 N -2.89 0.00 -4.07 2.28 0.31 -1.12 -5.03 118.33 107.81 3duq n VAL 290 Ca -0.32 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.74 3duq n VAL 290 Cb 0.94 -0.61 -0.17 0.00 -0.91 0.00 0.00 33.84 33.10 3duq n VAL 290 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3duq s VAL 291 N -1.65 1.12 -0.19 2.52 1.01 -0.62 -5.01 120.40 117.58 3duq s VAL 291 Ca 0.00 -0.37 0.21 0.00 0.00 0.00 0.00 61.98 61.82 3duq s VAL 291 Cb 0.00 -1.10 -0.07 0.00 0.00 0.00 0.00 36.38 35.21 3duq s VAL 291 CO 0.00 0.38 0.93 0.47 0.00 0.00 0.00 175.10 176.88 3duq n ASP 292 N 4.68 0.77 -3.21 3.32 8.00 -1.26 0.77 116.55 129.63 3duq n ASP 292 Ca -0.15 0.31 0.03 0.00 0.71 0.00 0.00 54.79 55.69 3duq n ASP 292 Cb 0.50 0.51 -0.01 0.00 -0.02 0.00 0.00 41.12 42.10 3duq n ASP 292 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3duq s ASN 293 N -5.40 -1.35 0.49 -2.24 3.84 -1.23 -4.31 114.94 104.74 3duq s ASN 293 Ca -0.02 0.95 0.25 0.00 0.21 0.00 0.00 52.86 54.25 3duq s ASN 293 Cb 0.10 2.18 1.27 0.00 -0.55 0.00 0.00 41.25 44.25 3duq s ASN 293 CO 0.81 -0.26 2.01 -0.50 -2.79 0.00 0.00 177.10 176.37 3duq h TRP 294 N 8.00 0.00 -0.13 0.43 4.06 -0.25 -1.79 115.95 126.27 3duq h TRP 294 Ca -0.22 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.68 3duq h TRP 294 Cb 1.15 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.31 3duq h TRP 294 CO 0.11 0.16 -0.09 -0.92 -3.56 0.00 0.00 178.44 174.14 3duq h TYR 295 N 0.00 0.34 -0.57 0.49 3.20 -1.78 -0.22 116.97 118.43 3duq h TYR 295 Ca -0.00 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.76 3duq h TYR 295 Cb 0.43 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 3duq h TYR 295 CO 0.00 0.65 0.27 0.28 -1.64 0.00 0.00 178.16 177.72 3duq h VAL 296 N -0.07 1.21 -0.63 1.81 2.07 -1.82 -1.11 116.25 117.71 3duq h VAL 296 Ca 0.03 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 66.97 3duq h VAL 296 Cb 0.58 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3duq h VAL 296 CO 0.02 0.24 0.41 -0.25 0.02 0.00 0.00 177.57 178.02 3duq h TRP 297 N 0.77 0.77 0.00 1.57 7.01 -1.30 -0.04 115.95 124.73 3duq h TRP 297 Ca 0.20 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.19 3duq h TRP 297 Cb 0.13 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 26.92 3duq h TRP 297 CO -0.00 0.47 -0.13 0.78 -2.79 0.00 0.00 178.44 176.77 3duq h GLY 298 N 0.82 0.00 1.41 2.65 0.00 0.18 0.96 103.07 109.09 3duq h GLY 298 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.27 3duq h GLY 298 CO -0.05 0.00 -1.29 1.46 0.00 0.00 0.00 176.54 176.65 3duq h GLN 299 N 0.00 0.46 0.00 4.80 1.08 -0.11 -3.38 115.11 117.95 3duq h GLN 299 Ca -0.00 -0.70 -0.31 0.00 -1.45 0.00 0.00 58.65 56.18 3duq h GLN 299 Cb 0.50 0.25 -0.05 0.00 -0.05 0.00 0.00 27.48 28.13 3duq h GLN 299 CO 0.02 1.32 -1.87 0.09 -0.95 0.00 0.00 178.83 177.44 3duq n ASN 300 N -3.68 1.92 -0.30 1.46 3.02 -0.97 -5.00 115.26 111.71 3duq n ASN 300 Ca -0.12 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 3duq n ASN 300 Cb 1.02 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 3duq n ASN 300 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3duq n HIS 301 N -4.35 0.00 0.00 3.10 8.25 0.33 -5.11 115.22 117.44 3duq n HIS 301 Ca -0.40 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.06 3duq n HIS 301 Cb 0.74 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 31.25 3duq n HIS 301 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39