#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3duq h LEU 12 N 0.00 -1.28 -0.70 -2.12 5.85 -2.05 -0.80 115.31 114.21 3duq h LEU 12 Ca 0.00 0.12 0.15 0.00 0.84 0.00 0.00 57.88 58.99 3duq h LEU 12 Cb 0.00 0.45 -0.13 0.00 0.37 0.00 0.00 40.66 41.36 3duq h LEU 12 CO 0.00 -0.55 -0.10 0.00 -0.34 0.00 0.00 178.44 177.45 3duq h ALA 13 N -0.44 0.57 -0.45 1.25 0.00 -2.06 0.38 119.26 118.52 3duq h ALA 13 Ca -0.01 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3duq h ALA 13 Cb 0.75 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3duq h ALA 13 CO -0.17 -0.42 0.21 0.77 0.00 0.00 0.00 179.25 179.64 3duq h SER 14 N 0.04 0.56 0.48 0.00 0.02 -1.90 -0.97 113.55 111.78 3duq h SER 14 Ca 0.35 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 3duq h SER 14 Cb 0.57 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3duq h SER 14 CO -0.67 0.49 -0.23 0.25 -1.14 0.00 0.00 176.83 175.52 3duq h LEU 15 N 0.63 -0.54 -0.31 5.07 5.85 0.10 -2.67 115.31 123.43 3duq h LEU 15 Ca 0.16 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.87 3duq h LEU 15 Cb 0.08 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 3duq h LEU 15 CO -0.02 -0.21 -0.13 0.00 -0.34 0.00 0.00 178.44 177.74 3duq h ALA 16 N -0.52 0.13 -0.26 1.25 0.00 0.09 -0.49 119.26 119.47 3duq h ALA 16 Ca -0.07 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3duq h ALA 16 Cb 0.58 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3duq h ALA 16 CO 0.11 -0.52 -0.28 0.97 0.00 0.00 0.00 179.25 179.53 3duq h ILE 17 N -0.07 1.27 -0.43 0.00 6.09 -1.25 0.58 117.51 123.69 3duq h ILE 17 Ca 0.16 -1.33 -0.13 0.00 -1.37 0.00 0.00 64.86 62.19 3duq h ILE 17 Cb 0.32 1.38 -0.01 0.00 0.47 0.00 0.00 36.82 38.98 3duq h ILE 17 CO -0.36 0.42 -0.24 0.22 -3.07 0.00 0.00 178.15 175.11 3duq h TYR 18 N 0.44 1.08 -0.45 2.19 3.20 -1.15 -1.91 116.97 120.37 3duq h TYR 18 Ca 0.06 -0.28 0.03 0.00 3.14 0.00 0.00 58.73 61.68 3duq h TYR 18 Cb 0.71 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 3duq h TYR 18 CO 0.02 1.09 0.24 0.77 -1.64 0.00 0.00 178.16 178.64 3duq h SER 19 N 0.77 0.36 -0.17 -2.11 0.02 -0.22 -2.86 113.55 109.33 3duq h SER 19 Ca 0.09 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 3duq h SER 19 Cb 0.82 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 3duq h SER 19 CO 0.07 0.25 -0.06 0.15 -1.14 0.00 0.00 176.83 176.10 3duq h PHE 20 N 0.48 0.38 0.00 3.45 3.57 -0.65 -0.65 116.94 123.52 3duq h PHE 20 Ca 0.19 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3duq h PHE 20 Cb 0.08 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3duq h PHE 20 CO -0.09 0.63 0.14 -1.49 -2.23 0.00 0.00 178.31 175.27 3duq h TRP 21 N 0.02 0.00 0.02 0.41 4.06 -1.23 0.72 115.95 119.95 3duq h TRP 21 Ca 0.04 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.85 3duq h TRP 21 Cb 0.52 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.67 3duq h TRP 21 CO 0.06 0.00 -0.75 0.82 -3.56 0.00 0.00 178.44 175.00 3duq h ILE 22 N 0.00 1.30 -0.57 1.49 2.04 -1.07 -3.15 117.51 117.55 3duq h ILE 22 Ca 0.00 -2.28 0.10 0.00 1.00 0.00 0.00 64.86 63.68 3duq h ILE 22 Cb 0.28 2.78 -0.11 0.00 -0.74 0.00 0.00 36.82 39.03 3duq h ILE 22 CO 0.00 0.49 -0.34 0.15 0.00 0.00 0.00 178.15 178.44 3duq h PHE 23 N -0.91 -0.96 -0.74 1.37 3.57 0.32 -2.23 116.94 117.36 3duq h PHE 23 Ca -0.20 0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.45 3duq h PHE 23 Cb 1.24 0.51 -0.05 0.00 2.79 0.00 0.00 35.95 40.44 3duq h PHE 23 CO 0.18 -0.39 0.49 1.25 -2.23 0.00 0.00 178.31 177.61 3duq h LEU 24 N -0.18 0.66 -0.46 0.59 5.85 -1.06 -1.34 115.31 119.38 3duq h LEU 24 Ca 0.22 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.80 3duq h LEU 24 Cb 0.55 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3duq h LEU 24 CO -0.67 0.42 -0.29 0.00 -0.34 0.00 0.00 178.44 177.56 3duq h ALA 25 N 1.61 0.65 0.00 1.25 0.00 -1.36 -1.52 119.26 119.89 3duq h ALA 25 Ca 0.32 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3duq h ALA 25 Cb 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3duq h ALA 25 CO -0.11 0.68 -0.75 0.78 0.00 0.00 0.00 179.25 179.84 3duq h GLY 26 N 0.84 0.00 0.89 0.00 0.00 -1.15 -2.62 103.07 101.04 3duq h GLY 26 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 3duq h GLY 26 CO 0.08 0.00 -0.04 -2.00 0.00 0.00 0.00 176.54 174.58 3duq h LEU 27 N 0.00 -0.10 -1.60 3.11 5.85 -1.21 -0.28 115.31 121.09 3duq h LEU 27 Ca -0.01 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.72 3duq h LEU 27 Cb 1.41 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.42 3duq h LEU 27 CO 0.10 0.03 0.43 0.40 -0.34 0.00 0.00 178.44 179.06 3duq h ILE 28 N -0.23 0.89 -0.37 4.05 2.04 -1.20 0.23 117.51 122.92 3duq h ILE 28 Ca -0.01 -0.15 -0.15 0.00 1.00 0.00 0.00 64.86 65.55 3duq h ILE 28 Cb 0.19 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3duq h ILE 28 CO 0.02 0.08 -0.33 0.22 0.00 0.00 0.00 178.15 178.14 3duq h TYR 29 N 0.44 1.05 0.82 1.37 3.20 -1.08 0.11 116.97 122.88 3duq h TYR 29 Ca 0.30 -0.31 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 3duq h TYR 29 Cb 0.58 -0.23 0.01 0.00 1.54 0.00 0.00 36.73 38.63 3duq h TYR 29 CO -0.00 1.12 -0.39 -0.92 -1.64 0.00 0.00 178.16 176.32 3duq h TYR 30 N 0.69 -1.02 -0.76 -3.82 3.20 -0.03 -1.52 116.97 113.72 3duq h TYR 30 Ca 0.06 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.06 3duq h TYR 30 Cb 0.92 0.34 -0.14 0.00 1.54 0.00 0.00 36.73 39.39 3duq h TYR 30 CO 0.06 -0.62 -0.18 -0.07 -1.64 0.00 0.00 178.16 175.71 3duq h LEU 31 N -1.23 -0.68 -0.00 2.82 3.38 -0.48 -1.62 115.31 117.49 3duq h LEU 31 Ca -0.11 0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3duq h LEU 31 Cb 0.85 0.46 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 3duq h LEU 31 CO 0.18 -0.25 0.00 -0.61 0.09 0.00 0.00 178.44 177.86 3duq h GLN 32 N 0.01 0.01 0.00 1.13 5.75 -0.70 -2.88 115.11 118.42 3duq h GLN 32 Ca 0.37 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.84 3duq h GLN 32 Cb 0.57 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.12 3duq h GLN 32 CO -0.78 0.24 -0.12 1.79 -2.65 0.00 0.00 178.83 177.32 3duq h THR 33 N -0.23 0.83 0.00 2.39 1.35 -0.64 -2.15 112.91 114.45 3duq h THR 33 Ca 0.00 -0.45 -0.09 0.00 -0.55 0.00 0.00 66.41 65.33 3duq h THR 33 Cb 0.24 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.91 3duq h THR 33 CO 0.00 0.12 -0.41 -0.33 -0.25 0.00 0.00 175.52 174.65 3duq h GLU 34 N 0.00 0.00 -0.30 4.72 4.39 -1.11 -2.48 114.58 119.80 3duq h GLU 34 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3duq h GLU 34 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3duq h GLU 34 CO 0.02 0.41 0.00 0.09 -1.16 0.00 0.00 179.01 178.36 3duq n ASN 35 N -3.61 1.61 -1.11 1.42 3.02 -0.81 -3.43 115.26 112.35 3duq n ASN 35 Ca -0.01 -1.99 0.07 0.00 -0.03 0.00 0.00 54.58 52.63 3duq n ASN 35 Cb 0.51 -0.20 0.28 0.00 -0.61 0.00 0.00 39.78 39.77 3duq n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3duq n MET 36 N 0.38 3.21 0.09 3.52 2.81 -0.93 -4.52 117.12 121.68 3duq n MET 36 Ca 0.10 -2.93 0.12 0.00 -1.81 0.00 0.00 57.70 53.19 3duq n MET 36 Cb 0.26 -1.93 0.24 0.00 -0.71 0.00 0.00 33.22 31.08 3duq n MET 36 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3duq h ARG 37 N 2.14 0.00 -6.20 0.03 3.08 -1.72 -3.42 114.38 108.29 3duq h ARG 37 Ca 0.02 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.51 3duq h ARG 37 Cb 1.59 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 31.44 3duq h ARG 37 CO 0.30 0.00 -0.81 -1.21 -1.07 0.00 0.00 179.97 177.18 3duq s GLU 38 N -3.16 1.27 0.00 0.04 0.41 -1.26 -3.90 118.70 112.09 3duq s GLU 38 Ca 0.07 -1.33 0.00 0.00 -0.41 0.00 0.00 54.97 53.30 3duq s GLU 38 Cb 0.12 -1.48 0.00 0.00 -1.78 0.00 0.00 34.13 30.99 3duq s GLU 38 CO 0.68 0.32 0.00 0.41 -0.49 0.00 0.00 175.26 176.18 3duq n GLY 39 N 0.62 0.18 3.76 -1.39 0.00 -1.26 -4.94 105.19 102.15 3duq n GLY 39 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 3duq n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3duq s TYR 40 N -1.53 2.93 1.16 1.61 1.51 -1.26 -4.44 117.35 117.33 3duq s TYR 40 Ca 0.00 -0.17 -0.18 0.00 -1.01 0.00 0.00 57.07 55.71 3duq s TYR 40 Cb 0.00 -1.35 0.27 0.00 -0.11 0.00 0.00 41.96 40.77 3duq s TYR 40 CO 0.00 0.54 1.13 -1.25 -1.11 0.00 0.00 175.55 174.85 3duq s PRO 41 N -3.79 -0.89 0.64 -1.71 0.04 -1.26 -4.84 135.00 123.20 3duq s PRO 41 Ca 0.33 -0.04 -0.10 0.00 0.04 0.00 0.00 61.00 61.22 3duq s PRO 41 Cb -0.07 -1.63 -0.01 0.00 0.04 0.00 0.00 34.50 32.82 3duq s PRO 41 CO 0.23 -3.50 1.03 -0.51 0.04 0.00 0.00 177.00 174.29 3duq s LEU 42 N -6.79 3.12 0.20 -3.56 1.43 -1.26 -4.96 118.68 106.85 3duq s LEU 42 Ca 0.71 1.20 -0.00 0.00 -1.03 0.00 0.00 54.13 55.00 3duq s LEU 42 Cb -0.10 -4.11 -0.04 0.00 0.03 0.00 0.00 46.19 41.97 3duq s LEU 42 CO 0.56 -1.06 0.10 -1.61 0.23 0.00 0.00 176.35 174.56 3duq s GLU 43 N -5.21 1.19 0.45 1.70 2.02 -1.26 -1.34 118.70 116.26 3duq s GLU 43 Ca 0.56 -1.62 0.00 0.00 0.02 0.00 0.00 54.97 53.93 3duq s GLU 43 Cb -0.11 0.10 -0.00 0.00 0.10 0.00 0.00 34.13 34.22 3duq s GLU 43 CO 0.52 -0.33 0.67 -0.80 0.02 0.00 0.00 175.26 175.34 3duq s ASN 44 N -3.18 5.84 0.32 -0.19 0.01 -0.37 -4.62 114.94 112.75 3duq s ASN 44 Ca 0.35 0.29 0.21 0.00 -0.71 0.00 0.00 52.86 53.00 3duq s ASN 44 Cb 0.07 -1.54 1.12 0.00 0.41 0.00 0.00 41.25 41.31 3duq s ASN 44 CO 0.10 -0.70 1.62 -0.62 -1.51 0.00 0.00 177.10 175.99 3duq n GLU 45 N -2.08 0.13 0.00 -0.60 1.02 -1.26 -0.27 120.64 117.58 3duq n GLU 45 Ca 0.01 0.63 0.11 0.00 -0.02 0.00 0.00 57.16 57.90 3duq n GLU 45 Cb 0.58 -1.97 0.09 0.00 -0.02 0.00 0.00 31.44 30.11 3duq n GLU 45 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3duq n ASP 46 N -2.23 1.54 0.00 1.62 5.68 -1.26 -4.96 116.55 116.94 3duq n ASP 46 Ca -0.01 -1.21 0.00 0.00 -0.50 0.00 0.00 54.79 53.06 3duq n ASP 46 Cb 0.06 0.46 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3duq n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3duq n GLY 47 N 1.42 0.18 3.77 6.12 0.00 0.63 -5.08 105.19 112.23 3duq n GLY 47 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3duq n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3duq s THR 48 N -2.00 3.51 0.17 2.61 -4.23 -1.26 -4.75 115.64 109.69 3duq s THR 48 Ca 0.00 1.29 -0.32 0.00 -1.18 0.00 0.00 61.69 61.48 3duq s THR 48 Cb 0.00 -3.73 -0.12 0.00 1.34 0.00 0.00 72.50 69.99 3duq s THR 48 CO 0.00 0.13 1.75 -2.65 -0.54 0.00 0.00 174.62 173.31 3duq n PRO 49 N 0.33 2.72 -1.66 3.99 -0.02 -1.26 -1.24 135.00 137.87 3duq n PRO 49 Ca 0.03 0.98 -0.34 0.00 -2.02 0.00 0.00 63.50 62.15 3duq n PRO 49 Cb 0.47 -2.84 0.07 0.00 -0.02 0.00 0.00 33.50 31.18 3duq n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3duq s ALA 50 N 1.66 2.31 0.06 3.55 0.00 -0.45 -4.79 121.76 124.11 3duq s ALA 50 Ca 0.78 0.82 -0.15 0.00 0.00 0.00 0.00 51.96 53.41 3duq s ALA 50 Cb -0.52 -3.42 -0.21 0.00 0.00 0.00 0.00 23.12 18.97 3duq s ALA 50 CO 0.34 -1.55 1.20 0.00 0.00 0.00 0.00 175.76 175.76 3duq h ALA 51 N 0.08 0.16 -3.15 0.00 0.00 -1.92 -3.42 119.26 111.00 3duq h ALA 51 Ca -0.48 -0.63 -0.70 0.00 0.00 0.00 0.00 54.91 53.10 3duq h ALA 51 Cb 1.28 0.03 -0.32 0.00 0.00 0.00 0.00 17.79 18.79 3duq h ALA 51 CO 0.52 0.59 -0.57 1.21 0.00 0.00 0.00 179.25 180.99 3duq s ASN 52 N -7.08 5.26 0.00 0.00 3.84 -1.26 -4.94 114.94 110.76 3duq s ASN 52 Ca -0.11 -1.62 0.20 0.00 0.21 0.00 0.00 52.86 51.54 3duq s ASN 52 Cb 0.06 -1.84 0.55 0.00 -0.55 0.00 0.00 41.25 39.47 3duq s ASN 52 CO 0.89 -0.45 1.46 0.00 -2.79 0.00 0.00 177.10 176.21 3duq n GLN 53 N 4.70 2.43 0.00 0.43 1.13 -1.26 -5.00 117.38 119.81 3duq n GLN 53 Ca -0.08 -2.20 0.00 0.00 -1.94 0.00 0.00 57.00 52.78 3duq n GLN 53 Cb 0.43 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.29 3duq n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3duq n GLY 54 N 1.48 -0.47 0.23 1.08 0.00 -1.26 -4.59 105.19 101.66 3duq n GLY 54 Ca 0.20 -1.77 0.10 0.00 0.00 0.00 0.00 46.02 44.56 3duq n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3duq h PRO 55 N 0.00 0.00 -6.27 1.61 0.13 -2.05 -3.44 132.00 121.98 3duq h PRO 55 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 3duq h PRO 55 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 3duq h PRO 55 CO 0.00 0.21 0.24 -0.06 -0.23 0.00 0.00 178.00 178.16 3duq s PHE 56 N -3.90 3.65 0.76 1.56 0.08 -1.26 -5.06 117.98 113.80 3duq s PHE 56 Ca -0.01 1.52 -0.11 0.00 0.12 0.00 0.00 56.93 58.44 3duq s PHE 56 Cb 0.12 -2.97 0.05 0.00 -0.57 0.00 0.00 43.02 39.65 3duq s PHE 56 CO 0.62 0.07 1.08 -1.25 -0.10 0.00 0.00 175.22 175.64 3duq s PRO 57 N 0.75 2.41 0.43 0.24 0.04 -1.26 -5.01 135.00 132.60 3duq s PRO 57 Ca 0.45 0.82 -0.24 0.00 0.04 0.00 0.00 61.00 62.06 3duq s PRO 57 Cb -0.20 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 3duq s PRO 57 CO 0.24 -1.44 1.23 -0.51 0.04 0.00 0.00 177.00 176.56 3duq s LEU 58 N -5.71 4.12 0.72 -3.56 1.43 -1.26 -4.87 118.68 109.54 3duq s LEU 58 Ca 0.60 2.47 -0.11 0.00 -1.03 0.00 0.00 54.13 56.05 3duq s LEU 58 Cb -0.15 -4.07 0.03 0.00 0.03 0.00 0.00 46.19 42.03 3duq s LEU 58 CO 0.55 -0.88 1.08 -2.16 0.23 0.00 0.00 176.35 175.17 3duq s PRO 59 N -2.45 2.59 0.21 1.29 0.04 -1.26 -4.99 135.00 130.43 3duq s PRO 59 Ca 0.60 1.14 -0.30 0.00 0.04 0.00 0.00 61.00 62.47 3duq s PRO 59 Cb -0.33 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 3duq s PRO 59 CO 0.41 -1.38 1.40 0.15 0.04 0.00 0.00 177.00 177.62 3duq s LYS 60 N -4.79 4.31 0.70 4.56 1.02 -1.26 -4.63 119.74 119.66 3duq s LYS 60 Ca 0.61 2.20 -0.16 0.00 0.02 0.00 0.00 55.97 58.63 3duq s LYS 60 Cb -0.17 -3.16 0.02 0.00 -0.52 0.00 0.00 37.83 34.01 3duq s LYS 60 CO 0.53 -0.38 1.27 -0.35 -0.92 0.00 0.00 175.35 175.49 3duq n PRO 61 N 2.77 0.80 -4.54 -1.68 -0.05 -1.26 -4.76 135.00 126.28 3duq n PRO 61 Ca 0.08 0.34 -0.22 0.00 -0.05 0.00 0.00 63.50 63.65 3duq n PRO 61 Cb 0.41 -2.51 -0.14 0.00 -0.05 0.00 0.00 33.50 31.21 3duq n PRO 61 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 175.50 173.86 3duq s LYS 62 N -3.63 1.10 -0.14 0.54 -2.85 0.60 -4.95 119.74 110.42 3duq s LYS 62 Ca 0.80 -0.65 0.01 0.00 -1.00 0.00 0.00 55.97 55.13 3duq s LYS 62 Cb -0.35 -1.10 -0.00 0.00 -2.06 0.00 0.00 37.83 34.32 3duq s LYS 62 CO 0.44 0.29 -0.17 0.99 0.10 0.00 0.00 175.35 176.99 3duq s THR 63 N -0.58 2.58 -0.15 3.79 2.01 -1.26 -0.78 115.64 121.24 3duq s THR 63 Ca 0.04 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 61.12 3duq s THR 63 Cb -0.07 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 3duq s THR 63 CO 0.00 0.53 0.21 -0.36 -0.69 0.00 0.00 174.62 174.31 3duq s PHE 64 N 0.63 3.49 -0.46 4.92 0.08 0.25 -4.94 117.98 121.95 3duq s PHE 64 Ca -0.09 0.52 -0.16 0.00 0.12 0.00 0.00 56.93 57.32 3duq s PHE 64 Cb -0.16 -2.19 0.06 0.00 -0.57 0.00 0.00 43.02 40.15 3duq s PHE 64 CO 0.03 0.39 0.38 0.42 -0.10 0.00 0.00 175.22 176.34 3duq s ILE 65 N 0.01 5.22 0.13 0.64 1.01 -1.26 -0.17 121.20 126.77 3duq s ILE 65 Ca 0.14 -0.89 -0.30 0.00 0.00 0.00 0.00 60.65 59.60 3duq s ILE 65 Cb -0.12 -4.08 -0.06 0.00 0.01 0.00 0.00 42.46 38.21 3duq s ILE 65 CO 0.02 -0.51 0.96 -0.76 0.00 0.00 0.00 174.94 174.65 3duq s LEU 66 N 1.73 4.52 0.93 2.97 1.43 -0.51 -5.03 118.68 124.73 3duq s LEU 66 Ca 0.05 1.82 -0.11 0.00 -1.03 0.00 0.00 54.13 54.86 3duq s LEU 66 Cb -0.22 -3.59 0.15 0.00 0.03 0.00 0.00 46.19 42.56 3duq s LEU 66 CO 0.08 -0.04 1.10 -2.16 0.23 0.00 0.00 176.35 175.55 3duq s PRO 67 N -0.14 0.92 -1.24 1.29 0.05 -1.26 -3.82 135.00 130.79 3duq s PRO 67 Ca 0.46 1.11 -0.00 0.00 0.05 0.00 0.00 61.00 62.62 3duq s PRO 67 Cb -0.24 -1.75 0.00 0.00 0.05 0.00 0.00 34.50 32.56 3duq s PRO 67 CO 0.30 -2.55 0.03 0.72 0.05 0.00 0.00 177.00 175.55 3duq n HIS 68 N -4.14 -0.75 -3.53 0.56 8.25 -1.26 -3.20 115.22 111.15 3duq n HIS 68 Ca 0.08 0.03 -0.26 0.00 -0.26 0.00 0.00 57.72 57.31 3duq n HIS 68 Cb 0.54 -3.12 0.04 0.00 1.12 0.00 0.00 29.99 28.56 3duq n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3duq n GLY 69 N -1.04 -0.52 0.91 -1.41 0.00 -1.25 -4.87 105.19 97.01 3duq n GLY 69 Ca -0.17 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.12 3duq n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3duq n ARG 70 N -4.46 2.14 0.00 1.61 1.74 -1.20 -5.03 116.66 111.47 3duq n ARG 70 Ca -0.01 -1.77 0.00 0.00 -0.77 0.00 0.00 57.85 55.29 3duq n ARG 70 Cb 0.56 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 3duq n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3duq n GLY 71 N 1.29 -0.63 3.32 -0.13 0.00 -1.26 -4.93 105.19 102.85 3duq n GLY 71 Ca 0.17 -1.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.23 3duq n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3duq s THR 72 N 0.00 1.33 -0.05 2.61 -4.23 -1.26 -1.42 115.64 112.62 3duq s THR 72 Ca 0.00 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 58.42 3duq s THR 72 Cb 0.00 -2.10 0.02 0.00 1.34 0.00 0.00 72.50 71.76 3duq s THR 72 CO 0.00 -0.55 -0.04 -0.22 -0.54 0.00 0.00 174.62 173.28 3duq s LEU 73 N -3.27 1.19 -0.17 4.79 2.96 0.76 -4.94 118.68 119.99 3duq s LEU 73 Ca 0.23 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 3duq s LEU 73 Cb 0.03 -0.47 0.01 0.00 0.50 0.00 0.00 46.19 46.26 3duq s LEU 73 CO 0.06 -0.08 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.93 3duq s THR 74 N 1.15 2.25 0.01 3.68 2.01 -1.26 0.84 115.64 124.31 3duq s THR 74 Ca -0.07 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.08 3duq s THR 74 Cb -0.14 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 3duq s THR 74 CO -0.01 0.53 -0.12 0.68 -0.69 0.00 0.00 174.62 175.00 3duq s VAL 75 N 1.13 0.98 0.75 3.82 -7.23 0.04 -3.76 120.40 116.12 3duq s VAL 75 Ca 0.01 -0.70 -0.14 0.00 -1.81 0.00 0.00 61.98 59.35 3duq s VAL 75 Cb -0.14 -0.85 0.05 0.00 0.56 0.00 0.00 36.38 36.00 3duq s VAL 75 CO -0.08 0.15 1.15 -2.16 -0.31 0.00 0.00 175.10 173.86 3duq s PRO 76 N -0.62 2.15 0.38 4.82 0.04 -1.25 -0.29 135.00 140.22 3duq s PRO 76 Ca 0.03 1.54 -0.07 0.00 0.04 0.00 0.00 61.00 62.54 3duq s PRO 76 Cb -0.06 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.65 3duq s PRO 76 CO 0.00 -1.78 0.62 0.41 0.04 0.00 0.00 177.00 176.29 3duq n GLY 77 N -0.11 1.64 3.68 0.56 0.00 -1.25 -4.76 105.19 104.95 3duq n GLY 77 Ca 0.12 -1.48 -0.46 0.00 0.00 0.00 0.00 46.02 44.20 3duq n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3duq n PRO 78 N -0.57 2.39 -3.83 1.61 -0.01 -1.26 -4.95 135.00 128.37 3duq n PRO 78 Ca -0.03 0.87 -0.37 0.00 -0.01 0.00 0.00 63.50 63.97 3duq n PRO 78 Cb 0.60 -2.74 -0.06 0.00 -0.01 0.00 0.00 33.50 31.29 3duq n PRO 78 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 175.50 174.28 3duq s GLU 79 N 3.73 3.62 -0.27 -0.52 0.41 -1.26 -5.09 118.70 119.32 3duq s GLU 79 Ca 0.90 -0.13 -0.21 0.00 -0.41 0.00 0.00 54.97 55.12 3duq s GLU 79 Cb -0.62 -3.24 0.08 0.00 -1.78 0.00 0.00 34.13 28.57 3duq s GLU 79 CO 0.47 0.67 0.72 0.45 -0.49 0.00 0.00 175.26 177.08 3duq s SER 80 N -0.73 -0.83 0.29 -0.19 0.15 -1.26 -5.05 113.70 106.08 3duq s SER 80 Ca 0.14 1.46 -0.00 0.00 0.70 0.00 0.00 55.95 58.25 3duq s SER 80 Cb -0.12 1.42 0.42 0.00 -1.71 0.00 0.00 66.02 66.03 3duq s SER 80 CO 0.03 -0.24 1.82 -0.33 1.20 0.00 0.00 173.24 175.72 3duq h GLU 81 N 5.86 0.77 -5.82 5.44 4.39 -2.01 -3.47 114.58 119.75 3duq h GLU 81 Ca -0.29 -0.16 -0.38 0.00 0.34 0.00 0.00 59.36 58.86 3duq h GLU 81 Cb 1.19 -0.11 0.14 0.00 -0.10 0.00 0.00 28.75 29.87 3duq h GLU 81 CO 0.10 0.72 -0.72 -0.25 -1.16 0.00 0.00 179.01 177.70 3duq n ASP 82 N -4.27 -4.73 -3.64 1.42 8.00 -1.26 -4.62 116.55 107.45 3duq n ASP 82 Ca 0.03 -0.59 -0.02 0.00 0.71 0.00 0.00 54.79 54.92 3duq n ASP 82 Cb 0.24 -4.98 -0.05 0.00 -0.02 0.00 0.00 41.12 36.32 3duq n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3duq s ARG 83 N -6.01 0.06 0.58 -1.24 1.70 -1.26 -4.94 118.95 107.83 3duq s ARG 83 Ca 0.38 0.02 -0.18 0.00 -0.47 0.00 0.00 55.73 55.48 3duq s ARG 83 Cb -0.17 0.03 -0.04 0.00 -0.57 0.00 0.00 34.95 34.19 3duq s ARG 83 CO 0.74 -0.02 1.15 -1.25 -1.08 0.00 0.00 175.30 174.84 3duq s PRO 84 N -0.84 3.15 -0.17 3.89 0.04 -1.26 -5.04 135.00 134.77 3duq s PRO 84 Ca 0.09 1.63 0.01 0.00 0.04 0.00 0.00 61.00 62.77 3duq s PRO 84 Cb -0.02 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.57 3duq s PRO 84 CO -0.09 -1.02 -0.20 0.42 0.04 0.00 0.00 177.00 176.15 3duq s ILE 85 N -1.83 2.04 -1.20 0.56 -1.09 -1.26 -5.06 121.20 113.37 3duq s ILE 85 Ca 0.73 -0.93 -0.06 0.00 -2.23 0.00 0.00 60.65 58.15 3duq s ILE 85 Cb -0.25 -1.84 0.22 0.00 -1.58 0.00 0.00 42.46 39.02 3duq s ILE 85 CO 0.31 0.54 1.79 0.00 -1.23 0.00 0.00 174.94 176.35 3duq n ALA 86 N 4.54 5.52 -2.71 9.38 0.00 -1.26 -4.93 120.51 131.06 3duq n ALA 86 Ca -0.21 -4.49 -0.18 0.00 0.00 0.00 0.00 53.44 48.57 3duq n ALA 86 Cb 0.50 -2.68 -0.13 0.00 0.00 0.00 0.00 19.45 17.14 3duq n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3duq s LEU 87 N -1.60 2.13 0.01 0.00 1.43 -1.26 -1.46 118.68 117.93 3duq s LEU 87 Ca 0.38 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 53.15 3duq s LEU 87 Cb 0.10 -0.45 -0.01 0.00 0.03 0.00 0.00 46.19 45.85 3duq s LEU 87 CO 0.02 0.01 -0.12 0.00 0.23 0.00 0.00 176.35 176.50 3duq s ALA 88 N -0.72 0.97 0.53 4.21 0.00 -0.07 -4.91 121.76 121.76 3duq s ALA 88 Ca -0.00 -0.60 -0.22 0.00 0.00 0.00 0.00 51.96 51.14 3duq s ALA 88 Cb -0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 23.12 22.80 3duq s ALA 88 CO 0.01 0.21 1.29 -2.13 0.00 0.00 0.00 175.76 175.13 3duq n ARG 89 N 2.45 1.63 0.00 0.00 0.63 -1.26 0.08 116.66 120.19 3duq n ARG 89 Ca -0.16 0.60 0.03 0.00 -0.92 0.00 0.00 57.85 57.41 3duq n ARG 89 Cb 0.56 -2.48 0.01 0.00 0.45 0.00 0.00 32.46 31.00 3duq n ARG 89 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3duq n THR 90 N -0.96 0.00 -4.21 5.15 -2.24 -1.20 -4.76 114.28 106.05 3duq n THR 90 Ca 0.10 -0.46 -0.18 0.00 -2.27 0.00 0.00 64.05 61.24 3duq n THR 90 Cb 0.44 1.10 -0.06 0.00 -2.10 0.00 0.00 70.33 69.71 3duq n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3duq s ALA 91 N -0.83 1.49 -1.59 6.98 0.00 -1.26 -5.07 121.76 121.48 3duq s ALA 91 Ca 0.06 -1.89 0.17 0.00 0.00 0.00 0.00 51.96 50.30 3duq s ALA 91 Cb 0.05 1.36 0.00 0.00 0.00 0.00 0.00 23.12 24.54 3duq s ALA 91 CO 0.13 -0.71 0.90 1.33 0.00 0.00 0.00 175.76 177.40 3duq n VAL 92 N -0.62 0.00 -4.35 0.00 0.24 -1.26 -4.97 118.33 107.37 3duq n VAL 92 Ca 0.05 -0.33 -0.19 0.00 -2.04 0.00 0.00 64.34 61.83 3duq n VAL 92 Cb 0.62 1.21 -0.10 0.00 -1.47 0.00 0.00 33.84 34.10 3duq n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3duq s SER 93 N -1.95 2.50 0.54 -1.34 1.04 -1.26 -5.14 113.70 108.10 3duq s SER 93 Ca 0.14 -1.06 -0.21 0.00 0.48 0.00 0.00 55.95 55.30 3duq s SER 93 Cb 0.14 -0.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.08 3duq s SER 93 CO 0.42 -0.23 1.27 -1.61 0.98 0.00 0.00 173.24 174.06 3duq s GLU 94 N -3.68 3.22 0.00 4.02 0.41 -1.26 -4.23 118.70 117.18 3duq s GLU 94 Ca 0.24 2.01 0.00 0.00 -0.41 0.00 0.00 54.97 56.80 3duq s GLU 94 Cb 0.01 -2.19 0.00 0.00 -1.78 0.00 0.00 34.13 30.17 3duq s GLU 94 CO 0.07 -1.06 0.00 0.41 -0.49 0.00 0.00 175.26 174.19 3duq n GLY 95 N 0.61 0.97 3.69 -1.39 0.00 -1.26 -5.10 105.19 102.71 3duq n GLY 95 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 3duq n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3duq s PHE 96 N -2.00 2.84 0.96 1.61 0.40 -1.26 -5.10 117.98 115.42 3duq s PHE 96 Ca 0.00 -0.16 -0.11 0.00 -0.60 0.00 0.00 56.93 56.05 3duq s PHE 96 Cb 0.00 -1.31 0.14 0.00 0.51 0.00 0.00 43.02 42.35 3duq s PHE 96 CO 0.00 0.56 0.93 -2.30 0.70 0.00 0.00 175.22 175.11 3duq n PRO 97 N -0.61 -0.64 -4.23 0.24 -0.02 -1.26 -4.85 135.00 123.64 3duq n PRO 97 Ca -0.08 -0.13 -0.33 0.00 -2.02 0.00 0.00 63.50 60.94 3duq n PRO 97 Cb 0.57 -2.22 -0.16 0.00 -0.02 0.00 0.00 33.50 31.67 3duq n PRO 97 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3duq s HIS 98 N -2.55 2.79 0.07 6.00 3.76 -1.26 -3.27 115.29 120.83 3duq s HIS 98 Ca 0.64 -1.41 -0.23 0.00 -0.15 0.00 0.00 55.06 53.92 3duq s HIS 98 Cb -0.22 -1.93 -0.06 0.00 1.11 0.00 0.00 32.58 31.47 3duq s HIS 98 CO 0.61 -0.69 0.70 0.00 -0.85 0.00 0.00 174.74 174.51 3duq s ALA 99 N 1.18 3.45 0.39 -1.40 0.00 0.11 -4.70 121.76 120.80 3duq s ALA 99 Ca 0.02 0.21 -0.27 0.00 0.00 0.00 0.00 51.96 51.92 3duq s ALA 99 Cb -0.14 -2.88 -0.10 0.00 0.00 0.00 0.00 23.12 20.00 3duq s ALA 99 CO -0.08 0.19 1.45 -2.30 0.00 0.00 0.00 175.76 175.02 3duq n PRO 100 N 2.31 2.50 0.00 0.00 -0.02 -1.26 -0.89 135.00 137.64 3duq n PRO 100 Ca -0.05 0.88 0.12 0.00 -2.02 0.00 0.00 63.50 62.43 3duq n PRO 100 Cb 0.50 -2.62 0.22 0.00 -0.02 0.00 0.00 33.50 31.58 3duq n PRO 100 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3duq n THR 101 N 0.24 0.00 0.00 3.45 -2.24 -0.54 -4.86 114.28 110.34 3duq n THR 101 Ca 0.03 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3duq n THR 101 Cb 0.39 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 3duq n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3duq n GLY 102 N 1.32 4.45 3.45 3.38 0.00 -1.26 -5.08 105.19 111.44 3duq n GLY 102 Ca 0.14 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 3duq n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3duq s ASP 103 N 1.13 5.78 0.33 1.61 -1.08 -1.26 -4.98 116.67 118.20 3duq s ASP 103 Ca 0.00 -0.62 0.02 0.00 -0.52 0.00 0.00 52.55 51.42 3duq s ASP 103 Cb 0.00 -2.06 0.59 0.00 -1.46 0.00 0.00 42.92 39.99 3duq s ASP 103 CO 0.00 -0.27 1.98 1.55 0.52 0.00 0.00 175.17 178.95 3duq h PRO 104 N 8.43 0.90 0.74 4.34 0.13 -1.95 0.27 132.00 144.86 3duq h PRO 104 Ca -0.30 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.74 3duq h PRO 104 Cb 1.14 -0.20 0.01 0.00 0.13 0.00 0.00 31.00 32.07 3duq h PRO 104 CO 0.64 0.60 -0.36 0.52 -0.23 0.00 0.00 178.00 179.17 3duq h MET 105 N 0.93 -0.96 -0.89 0.86 2.86 -1.94 0.46 114.93 116.25 3duq h MET 105 Ca 0.28 0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.97 3duq h MET 105 Cb -0.02 0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 3duq h MET 105 CO -0.07 -0.63 0.50 0.87 1.06 0.00 0.00 176.91 178.64 3duq h LYS 106 N -1.05 1.22 0.00 1.72 1.57 -1.89 -2.88 116.57 115.26 3duq h LYS 106 Ca -0.10 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.43 3duq h LYS 106 Cb 0.78 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 3duq h LYS 106 CO 0.17 0.88 -0.57 -0.44 -0.57 0.00 0.00 179.45 178.92 3duq h ASP 107 N 1.23 0.00 -2.42 0.86 3.32 -0.88 -3.48 116.42 115.06 3duq h ASP 107 Ca 0.31 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.29 3duq h ASP 107 Cb 0.00 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.58 3duq h ASP 107 CO -0.05 0.57 -0.15 0.61 -1.72 0.00 0.00 179.24 178.50 3duq n GLY 108 N 0.93 0.44 3.65 2.75 0.00 0.16 -4.86 105.19 108.26 3duq n GLY 108 Ca 0.01 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 3duq n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3duq s VAL 109 N -3.07 2.38 0.00 1.61 -7.23 -0.82 -3.77 120.40 109.50 3duq s VAL 109 Ca 0.05 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 3duq s VAL 109 Cb -0.02 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 34.04 3duq s VAL 109 CO 0.15 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 3duq n GLY 110 N -1.02 -0.14 0.00 2.32 0.00 -1.26 -2.57 105.19 102.52 3duq n GLY 110 Ca -0.04 -1.08 0.06 0.00 0.00 0.00 0.00 46.02 44.96 3duq n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3duq n PRO 111 N 3.99 0.40 -0.20 1.61 -0.04 -1.26 -2.27 135.00 137.22 3duq n PRO 111 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 3duq n PRO 111 Cb 0.00 -1.45 0.20 0.00 -0.04 0.00 0.00 33.50 32.21 3duq n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3duq n ALA 112 N -0.95 2.36 -1.74 0.55 0.00 -1.06 -2.28 120.51 117.38 3duq n ALA 112 Ca 0.09 -1.04 -0.38 0.00 0.00 0.00 0.00 53.44 52.10 3duq n ALA 112 Cb 0.04 -0.72 0.05 0.00 0.00 0.00 0.00 19.45 18.82 3duq n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3duq s SER 113 N -1.21 4.96 0.04 0.00 0.01 -0.96 -4.03 113.70 112.51 3duq s SER 113 Ca 0.34 2.73 0.02 0.00 1.31 0.00 0.00 55.95 60.35 3duq s SER 113 Cb 0.19 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 3duq s SER 113 CO 0.26 -1.77 -0.06 -1.66 0.41 0.00 0.00 173.24 170.41 3duq s TRP 114 N -1.33 0.60 0.04 2.43 1.48 -1.25 -4.49 118.94 116.42 3duq s TRP 114 Ca 0.76 -0.57 0.00 0.00 -1.06 0.00 0.00 56.10 55.23 3duq s TRP 114 Cb -0.40 -0.37 -0.04 0.00 -1.16 0.00 0.00 33.47 31.51 3duq s TRP 114 CO 0.45 -0.13 0.13 0.08 -4.06 0.00 0.00 176.95 173.43 3duq s VAL 115 N -1.74 4.98 -1.53 -0.66 1.01 -1.26 -5.00 120.40 116.20 3duq s VAL 115 Ca -0.08 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 3duq s VAL 115 Cb -0.08 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 3duq s VAL 115 CO -0.01 0.22 2.68 0.00 0.00 0.00 0.00 175.10 178.00 3duq n ALA 116 N 0.69 6.98 -1.21 5.51 0.00 -1.26 -4.75 120.51 126.46 3duq n ALA 116 Ca -0.09 -3.73 -0.30 0.00 0.00 0.00 0.00 53.44 49.32 3duq n ALA 116 Cb 0.52 -3.28 0.25 0.00 0.00 0.00 0.00 19.45 16.93 3duq n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3duq s ARG 117 N 1.68 -1.29 0.33 0.00 0.52 -1.26 -5.00 118.95 113.93 3duq s ARG 117 Ca 0.62 -0.27 -0.27 0.00 -0.52 0.00 0.00 55.73 55.29 3duq s ARG 117 Cb 0.17 -1.61 -0.09 0.00 0.52 0.00 0.00 34.95 33.94 3duq s ARG 117 CO -0.07 -3.72 1.08 1.03 0.02 0.00 0.00 175.30 173.64 3duq s ARG 118 N -5.60 4.43 -0.36 3.54 0.52 -1.26 -4.29 118.95 115.94 3duq s ARG 118 Ca 0.73 1.68 -0.04 0.00 -0.52 0.00 0.00 55.73 57.58 3duq s ARG 118 Cb -0.06 -2.91 0.01 0.00 0.52 0.00 0.00 34.95 32.50 3duq s ARG 118 CO 0.55 0.06 2.88 -3.47 0.02 0.00 0.00 175.30 175.34 3duq n ASP 119 N 0.65 6.23 -3.90 0.23 -0.08 -1.26 -1.35 116.55 117.07 3duq n ASP 119 Ca 0.02 -3.05 -0.14 0.00 -1.51 0.00 0.00 54.79 50.10 3duq n ASP 119 Cb 0.47 -1.26 -0.14 0.00 2.34 0.00 0.00 41.12 42.53 3duq n ASP 119 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3duq s LEU 120 N -1.73 1.88 0.69 -2.67 1.43 -1.26 -4.93 118.68 112.08 3duq s LEU 120 Ca 0.58 -0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 53.50 3duq s LEU 120 Cb 0.36 -0.14 0.01 0.00 0.03 0.00 0.00 46.19 46.46 3duq s LEU 120 CO -0.17 0.01 1.12 -2.16 0.23 0.00 0.00 176.35 175.39 3duq s PRO 121 N 0.11 2.61 0.12 1.29 0.04 -1.25 -2.42 135.00 135.49 3duq s PRO 121 Ca -0.01 1.42 -0.30 0.00 0.04 0.00 0.00 61.00 62.15 3duq s PRO 121 Cb -0.03 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 3duq s PRO 121 CO -0.00 -1.40 1.24 -2.00 0.04 0.00 0.00 177.00 174.88 3duq s GLU 122 N -4.17 4.42 0.07 4.56 2.12 -1.26 -4.91 118.70 119.53 3duq s GLU 122 Ca 0.67 1.88 0.02 0.00 0.36 0.00 0.00 54.97 57.90 3duq s GLU 122 Cb -0.21 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 3duq s GLU 122 CO 0.44 -0.24 0.12 -0.51 -0.54 0.00 0.00 175.26 174.52 3duq s LEU 123 N 0.61 3.97 0.00 2.70 1.43 -1.26 -0.29 118.68 125.83 3duq s LEU 123 Ca 0.58 0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 53.67 3duq s LEU 123 Cb -0.32 -2.61 0.13 0.00 0.03 0.00 0.00 46.19 43.42 3duq s LEU 123 CO 0.32 0.18 0.67 -0.90 0.23 0.00 0.00 176.35 176.85 3duq n ASP 124 N 0.45 -0.32 0.33 2.29 5.68 0.18 -4.70 116.55 120.46 3duq n ASP 124 Ca -0.08 -1.16 0.22 0.00 -0.50 0.00 0.00 54.79 53.27 3duq n ASP 124 Cb 0.51 -0.53 1.16 0.00 -1.14 0.00 0.00 41.12 41.13 3duq n ASP 124 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3duq h GLY 125 N -1.09 0.00 0.25 6.12 0.00 -2.00 -2.17 103.07 104.19 3duq h GLY 125 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3duq h GLY 125 CO 0.15 0.00 -1.48 1.42 0.00 0.00 0.00 176.54 176.63 3duq n HIS 126 N -3.18 0.17 0.00 5.60 8.25 -1.26 -4.96 115.22 119.83 3duq n HIS 126 Ca -0.03 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3duq n HIS 126 Cb 0.09 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 30.76 3duq n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3duq n GLY 127 N 1.32 1.13 3.95 -1.41 0.00 -0.81 -5.10 105.19 104.26 3duq n GLY 127 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 3duq n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3duq s HIS 128 N -2.00 3.48 -0.03 1.61 3.76 -1.26 -4.82 115.29 116.03 3duq s HIS 128 Ca 0.00 0.21 -0.32 0.00 -0.15 0.00 0.00 55.06 54.80 3duq s HIS 128 Cb 0.00 -1.77 -0.11 0.00 1.11 0.00 0.00 32.58 31.82 3duq s HIS 128 CO 0.00 0.28 1.92 0.09 -0.85 0.00 0.00 174.74 176.18 3duq n ASN 129 N -1.49 3.79 -0.25 1.40 4.13 -1.26 0.47 115.26 122.05 3duq n ASN 129 Ca -0.06 0.94 -0.00 0.00 1.68 0.00 0.00 54.58 57.14 3duq n ASN 129 Cb 0.56 -1.45 0.12 0.00 -1.54 0.00 0.00 39.78 37.47 3duq n ASN 129 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 3duq h LYS 130 N 9.81 0.71 -5.90 3.52 3.64 -0.93 -3.42 116.57 123.99 3duq h LYS 130 Ca -0.49 -0.04 -0.67 0.00 -1.27 0.00 0.00 60.65 58.17 3duq h LYS 130 Cb 1.26 -0.16 -0.22 0.00 -0.41 0.00 0.00 32.23 32.70 3duq h LYS 130 CO 0.94 0.47 -0.72 0.42 -2.27 0.00 0.00 179.45 178.29 3duq s ILE 131 N -6.08 3.43 0.00 2.00 1.01 -1.26 -2.18 121.20 118.13 3duq s ILE 131 Ca -0.13 -0.56 -0.07 0.00 0.00 0.00 0.00 60.65 59.90 3duq s ILE 131 Cb 0.17 -2.41 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 3duq s ILE 131 CO 0.77 0.57 0.12 -0.54 0.00 0.00 0.00 174.94 175.85 3duq s LYS 132 N -0.39 0.47 0.38 2.79 1.02 -0.16 -4.73 119.74 119.12 3duq s LYS 132 Ca 0.05 -0.42 -0.27 0.00 0.02 0.00 0.00 55.97 55.35 3duq s LYS 132 Cb -0.12 0.19 -0.10 0.00 -0.52 0.00 0.00 37.83 37.28 3duq s LYS 132 CO 0.02 -0.11 1.34 -1.25 -0.92 0.00 0.00 175.35 174.43 3duq s PRO 133 N -1.39 4.12 0.47 -1.68 0.05 -1.26 -0.10 135.00 135.21 3duq s PRO 133 Ca -0.15 2.25 0.17 0.00 0.05 0.00 0.00 61.00 63.33 3duq s PRO 133 Cb -0.08 -2.90 1.14 0.00 0.05 0.00 0.00 34.50 32.71 3duq s PRO 133 CO 0.01 -0.40 2.03 1.98 0.05 0.00 0.00 177.00 180.68 3duq h MET 134 N 2.98 0.00 -0.73 4.56 4.05 -0.60 -1.31 114.93 123.88 3duq h MET 134 Ca -0.50 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.06 3duq h MET 134 Cb 1.24 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.99 3duq h MET 134 CO 0.64 0.15 0.49 1.57 0.23 0.00 0.00 176.91 179.98 3duq h LYS 135 N 0.00 0.40 -0.56 0.39 2.10 -1.90 -1.16 116.57 115.84 3duq h LYS 135 Ca -0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3duq h LYS 135 Cb 0.28 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 3duq h LYS 135 CO 0.02 0.26 0.00 0.00 -2.00 0.00 0.00 179.45 177.73 3duq n ALA 136 N -2.52 2.38 -3.51 0.07 0.00 -0.51 -4.76 120.51 111.66 3duq n ALA 136 Ca 0.14 -1.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.00 3duq n ALA 136 Cb 0.51 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 19.04 3duq n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3duq s ALA 137 N -1.19 3.75 -0.28 0.00 0.00 -0.44 -4.96 121.76 118.64 3duq s ALA 137 Ca 0.42 -3.10 -0.32 0.00 0.00 0.00 0.00 51.96 48.96 3duq s ALA 137 Cb 0.23 -3.07 -0.09 0.00 0.00 0.00 0.00 23.12 20.20 3duq s ALA 137 CO 0.31 -2.13 2.19 0.00 0.00 0.00 0.00 175.76 176.13 3duq n ALA 138 N 4.06 1.39 -0.16 0.00 0.00 -1.26 -2.41 120.51 122.13 3duq n ALA 138 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3duq n ALA 138 Cb 0.42 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.16 3duq n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3duq n GLY 139 N 6.11 0.91 3.68 0.00 0.00 -1.26 -5.10 105.19 109.53 3duq n GLY 139 Ca 0.35 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 3duq n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3duq s PHE 140 N -2.00 3.30 0.02 1.61 0.40 -1.01 -5.09 117.98 115.20 3duq s PHE 140 Ca 0.00 0.16 -0.05 0.00 -0.60 0.00 0.00 56.93 56.45 3duq s PHE 140 Cb 0.00 -2.04 -0.01 0.00 0.51 0.00 0.00 43.02 41.48 3duq s PHE 140 CO 0.00 0.27 0.07 -3.38 0.70 0.00 0.00 175.22 172.88 3duq s HIS 141 N 0.07 0.15 -0.10 0.36 -3.43 -1.26 -5.01 115.29 106.07 3duq s HIS 141 Ca 0.06 -0.35 -0.29 0.00 -0.80 0.00 0.00 55.06 53.68 3duq s HIS 141 Cb -0.12 -0.12 -0.06 0.00 -1.43 0.00 0.00 32.58 30.85 3duq s HIS 141 CO 0.01 -0.27 1.97 0.08 -2.00 0.00 0.00 174.74 174.52 3duq s VAL 142 N -1.70 3.16 -0.24 -5.38 1.01 -1.26 -4.87 120.40 111.11 3duq s VAL 142 Ca -0.13 0.19 0.22 0.00 0.00 0.00 0.00 61.98 62.26 3duq s VAL 142 Cb -0.07 -3.16 -0.23 0.00 0.00 0.00 0.00 36.38 32.92 3duq s VAL 142 CO -0.01 -0.06 0.71 -1.54 0.00 0.00 0.00 175.10 174.20 3duq n SER 143 N 9.08 0.35 -3.48 3.32 3.41 -1.26 -4.98 113.62 120.05 3duq n SER 143 Ca 0.23 -0.05 -0.14 0.00 -0.26 0.00 0.00 58.87 58.64 3duq n SER 143 Cb 0.43 1.42 -0.04 0.00 -0.26 0.00 0.00 64.21 65.77 3duq n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3duq s ALA 144 N -3.40 -1.58 0.00 7.33 0.00 -1.26 -5.14 121.76 117.71 3duq s ALA 144 Ca -0.03 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.66 3duq s ALA 144 Cb 0.13 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.79 3duq s ALA 144 CO 0.87 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 176.43 3duq n GLY 145 N 0.13 -2.46 3.68 0.00 0.00 -1.26 -4.83 105.19 100.45 3duq n GLY 145 Ca -0.18 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 3duq n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3duq s LYS 146 N -0.91 4.36 -0.23 1.61 2.47 -1.26 -4.99 119.74 120.79 3duq s LYS 146 Ca 0.00 1.58 -0.29 0.00 -1.56 0.00 0.00 55.97 55.69 3duq s LYS 146 Cb 0.00 -3.58 -0.02 0.00 -1.46 0.00 0.00 37.83 32.78 3duq s LYS 146 CO 0.00 -0.44 1.44 1.21 0.16 0.00 0.00 175.35 177.71 3duq s ASN 147 N 1.40 6.61 0.22 1.43 3.84 -1.26 -4.89 114.94 122.30 3duq s ASN 147 Ca 0.53 1.52 -0.04 0.00 0.21 0.00 0.00 52.86 55.08 3duq s ASN 147 Cb -0.22 -2.54 0.22 0.00 -0.55 0.00 0.00 41.25 38.16 3duq s ASN 147 CO 0.19 -1.08 1.66 1.55 -2.79 0.00 0.00 177.10 176.64 3duq h PRO 148 N 9.64 0.79 -6.03 0.43 0.13 -1.97 -3.45 132.00 131.54 3duq h PRO 148 Ca -0.30 -0.29 -0.76 0.00 -0.87 0.00 0.00 66.00 63.78 3duq h PRO 148 Cb 1.12 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3duq h PRO 148 CO 1.00 0.90 1.12 -0.89 -0.23 0.00 0.00 178.00 179.91 3duq n ILE 149 N -4.14 0.12 0.00 -3.56 5.41 -1.26 -0.01 119.36 115.92 3duq n ILE 149 Ca 0.01 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.69 3duq n ILE 149 Cb 0.40 -0.94 0.00 0.00 -0.71 0.00 0.00 39.64 38.39 3duq n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3duq n GLY 150 N 5.82 2.51 3.76 7.39 0.00 0.02 -5.01 105.19 119.68 3duq n GLY 150 Ca 0.40 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.02 3duq n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3duq s LEU 151 N 0.00 4.52 0.79 0.99 1.43 0.99 -4.72 118.68 122.68 3duq s LEU 151 Ca 0.00 2.33 -0.11 0.00 -1.03 0.00 0.00 54.13 55.32 3duq s LEU 151 Cb 0.00 -3.65 0.07 0.00 0.03 0.00 0.00 46.19 42.64 3duq s LEU 151 CO 0.00 -0.22 1.11 -2.16 0.23 0.00 0.00 176.35 175.32 3duq s PRO 152 N -1.53 2.04 -0.16 1.29 0.04 -1.26 -1.93 135.00 133.48 3duq s PRO 152 Ca 0.46 1.32 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 3duq s PRO 152 Cb -0.33 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 3duq s PRO 152 CO 0.43 -1.83 -0.12 0.08 0.04 0.00 0.00 177.00 175.60 3duq s VAL 153 N -2.73 3.03 -0.10 -0.36 1.01 0.13 -1.16 120.40 120.22 3duq s VAL 153 Ca 0.64 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 3duq s VAL 153 Cb -0.19 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3duq s VAL 153 CO 0.54 0.50 -0.06 -0.60 0.00 0.00 0.00 175.10 175.48 3duq s ARG 154 N 0.73 3.12 0.46 2.72 3.52 0.71 -0.04 118.95 130.18 3duq s ARG 154 Ca -0.05 -0.53 0.02 0.00 -0.13 0.00 0.00 55.73 55.04 3duq s ARG 154 Cb -0.15 -2.72 0.01 0.00 -1.56 0.00 0.00 34.95 30.53 3duq s ARG 154 CO 0.02 0.50 0.67 0.20 -0.81 0.00 0.00 175.30 175.87 3duq s GLY 155 N -0.35 1.69 0.65 8.12 0.00 -0.74 0.18 107.32 116.86 3duq s GLY 155 Ca 0.05 -1.26 0.34 0.00 0.00 0.00 0.00 44.72 43.86 3duq s GLY 155 CO 0.02 -1.06 2.08 0.00 0.00 0.00 0.00 173.10 174.14 3duq n ASP 157 N -3.15 0.91 -1.27 0.00 5.75 -1.26 -3.63 116.55 113.90 3duq n ASP 157 Ca -0.01 -1.78 -0.14 0.00 -0.01 0.00 0.00 54.79 52.85 3duq n ASP 157 Cb 0.29 -0.09 -0.04 0.00 -1.03 0.00 0.00 41.12 40.26 3duq n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3duq n LEU 158 N -0.10 -1.25 -4.62 -2.12 4.77 0.21 -4.99 117.00 108.90 3duq n LEU 158 Ca 0.11 0.22 -0.32 0.00 -0.03 0.00 0.00 56.01 55.99 3duq n LEU 158 Cb 0.18 -2.11 -0.10 0.00 -2.33 0.00 0.00 43.42 39.06 3duq n LEU 158 CO 0.08 -0.52 -0.37 -0.70 -1.33 0.00 0.00 177.39 174.55 3duq s GLU 159 N -3.74 2.53 0.15 3.23 2.56 -1.24 -4.89 118.70 117.30 3duq s GLU 159 Ca 0.00 -0.76 -0.30 0.00 0.00 0.00 0.00 54.97 53.91 3duq s GLU 159 Cb 0.00 -2.51 -0.07 0.00 2.00 0.00 0.00 34.13 33.55 3duq s GLU 159 CO 0.00 0.58 1.11 0.42 -0.56 0.00 0.00 175.26 176.81 3duq s ILE 160 N -1.08 3.95 -0.05 -3.70 1.01 -1.26 -1.79 121.20 118.27 3duq s ILE 160 Ca 0.19 1.61 0.06 0.00 0.00 0.00 0.00 60.65 62.51 3duq s ILE 160 Cb -0.11 -4.03 -0.08 0.00 0.01 0.00 0.00 42.46 38.24 3duq s ILE 160 CO 0.10 0.25 0.05 0.00 0.00 0.00 0.00 174.94 175.34 3duq n ALA 161 N 2.69 1.94 -3.00 9.38 0.00 0.94 -4.96 120.51 127.51 3duq n ALA 161 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3duq n ALA 161 Cb 0.46 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3duq n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3duq n GLY 162 N 2.51 0.76 3.01 0.00 0.00 -1.22 -4.07 105.19 106.17 3duq n GLY 162 Ca -0.08 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 3duq n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3duq s LYS 163 N 0.44 0.20 0.05 1.61 -2.85 -0.60 0.17 119.74 118.75 3duq s LYS 163 Ca 0.00 0.03 -0.31 0.00 -1.00 0.00 0.00 55.97 54.69 3duq s LYS 163 Cb 0.00 0.09 -0.07 0.00 -2.06 0.00 0.00 37.83 35.79 3duq s LYS 163 CO 0.00 -0.03 1.43 0.08 0.10 0.00 0.00 175.35 176.93 3duq s VAL 164 N -0.25 3.48 0.00 1.79 1.01 -0.81 -0.09 120.40 125.52 3duq s VAL 164 Ca -0.03 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.91 3duq s VAL 164 Cb -0.02 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3duq s VAL 164 CO 0.00 0.03 0.75 1.33 0.00 0.00 0.00 175.10 177.21 3duq n VAL 165 N 4.41 0.54 0.00 2.92 0.24 0.93 -0.80 118.33 126.57 3duq n VAL 165 Ca 0.13 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 3duq n VAL 165 Cb 0.43 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 3duq n VAL 165 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3duq n ASP 166 N -0.27 0.00 -4.16 -1.34 -0.08 -1.16 -4.99 116.55 104.55 3duq n ASP 166 Ca 0.00 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.97 3duq n ASP 166 Cb 0.18 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.47 3duq n ASP 166 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3duq s ILE 167 N -2.00 1.91 -0.31 5.18 1.01 -1.26 -0.66 121.20 125.08 3duq s ILE 167 Ca 0.00 -0.91 -0.18 0.00 0.00 0.00 0.00 60.65 59.56 3duq s ILE 167 Cb 0.00 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 3duq s ILE 167 CO 0.00 0.52 0.52 0.26 0.00 0.00 0.00 174.94 176.25 3duq s TRP 168 N 0.66 3.22 0.18 3.97 0.52 0.10 0.22 118.94 127.82 3duq s TRP 168 Ca -0.12 0.42 0.07 0.00 0.02 0.00 0.00 56.10 56.49 3duq s TRP 168 Cb -0.16 -2.84 -0.04 0.00 -1.15 0.00 0.00 33.47 29.27 3duq s TRP 168 CO 0.02 -0.42 0.01 0.08 0.02 0.00 0.00 176.95 176.67 3duq s VAL 169 N 2.38 3.78 -0.48 4.03 1.01 0.86 -1.39 120.40 130.58 3duq s VAL 169 Ca 0.20 -1.42 -0.17 0.00 0.00 0.00 0.00 61.98 60.59 3duq s VAL 169 Cb -0.15 -2.91 0.06 0.00 0.00 0.00 0.00 36.38 33.38 3duq s VAL 169 CO 0.11 -0.13 0.50 -0.62 0.00 0.00 0.00 175.10 174.97 3duq s ASP 170 N -3.01 6.18 0.02 3.32 -1.08 0.28 -0.98 116.67 121.40 3duq s ASP 170 Ca 0.28 -1.08 -0.25 0.00 -0.52 0.00 0.00 52.55 50.98 3duq s ASP 170 Cb -0.09 -2.23 -0.17 0.00 -1.46 0.00 0.00 42.92 38.96 3duq s ASP 170 CO 0.19 -0.75 1.34 0.40 0.52 0.00 0.00 175.17 176.88 3duq h ILE 171 N 5.80 0.91 -0.11 4.11 1.08 -1.73 0.40 117.51 127.97 3duq h ILE 171 Ca -0.28 -0.61 0.03 0.00 -0.39 0.00 0.00 64.86 63.61 3duq h ILE 171 Cb 1.10 1.27 -0.00 0.00 -3.07 0.00 0.00 36.82 36.12 3duq h ILE 171 CO 0.91 0.14 0.10 1.55 -0.69 0.00 0.00 178.15 180.15 3duq h PRO 172 N -0.57 0.00 -0.01 2.37 0.14 -1.95 -2.02 132.00 129.96 3duq h PRO 172 Ca -0.03 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.11 3duq h PRO 172 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.56 3duq h PRO 172 CO 0.04 0.00 -0.03 0.39 0.14 0.00 0.00 178.00 178.55 3duq n GLU 173 N -4.14 0.47 -3.66 0.86 1.02 -1.21 -5.03 120.64 108.93 3duq n GLU 173 Ca -0.00 -0.89 -0.25 0.00 -0.02 0.00 0.00 57.16 56.00 3duq n GLU 173 Cb 0.21 -1.12 0.01 0.00 -0.02 0.00 0.00 31.44 30.52 3duq n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3duq n GLN 174 N 0.31 -1.23 -4.13 3.49 6.02 0.13 -4.98 117.38 116.99 3duq n GLN 174 Ca 0.04 0.72 -0.15 0.00 -0.01 0.00 0.00 57.00 57.60 3duq n GLN 174 Cb 0.19 -3.46 -0.14 0.00 1.02 0.00 0.00 30.24 27.84 3duq n GLN 174 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3duq s MET 175 N -5.20 0.42 -0.32 -1.09 1.75 -0.72 -4.97 119.30 109.17 3duq s MET 175 Ca 0.20 -0.25 -0.26 0.00 -1.25 0.00 0.00 55.69 54.13 3duq s MET 175 Cb -0.08 -0.38 0.01 0.00 2.84 0.00 0.00 34.83 37.22 3duq s MET 175 CO 0.87 0.10 0.91 0.00 -0.65 0.00 0.00 175.02 176.25 3duq s ALA 176 N -0.28 3.50 -0.26 4.11 0.00 -1.26 0.10 121.76 127.67 3duq s ALA 176 Ca 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 51.96 51.58 3duq s ALA 176 Cb -0.03 -3.47 -0.13 0.00 0.00 0.00 0.00 23.12 19.49 3duq s ALA 176 CO -0.00 -1.36 -0.30 0.54 0.00 0.00 0.00 175.76 174.63 3duq n ARG 177 N 6.52 0.59 -4.00 0.00 5.12 -0.49 -4.78 116.66 119.63 3duq n ARG 177 Ca 0.07 0.21 -0.08 0.00 -1.93 0.00 0.00 57.85 56.12 3duq n ARG 177 Cb 0.48 -1.48 -0.10 0.00 -1.16 0.00 0.00 32.46 30.20 3duq n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3duq s PHE 178 N -2.50 0.32 -0.13 -1.55 0.40 -1.01 0.48 117.98 114.00 3duq s PHE 178 Ca -0.36 -0.69 -0.06 0.00 -0.60 0.00 0.00 56.93 55.22 3duq s PHE 178 Cb 0.12 -0.24 -0.04 0.00 0.51 0.00 0.00 43.02 43.38 3duq s PHE 178 CO 0.51 -0.30 0.08 -0.51 0.70 0.00 0.00 175.22 175.70 3duq s LEU 179 N -2.10 3.99 -0.30 -0.37 1.43 -0.56 0.03 118.68 120.80 3duq s LEU 179 Ca -0.06 0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 53.17 3duq s LEU 179 Cb -0.02 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 3duq s LEU 179 CO -0.05 0.33 0.31 -0.70 0.23 0.00 0.00 176.35 176.48 3duq s GLU 180 N -0.60 3.82 -0.09 1.70 2.12 0.16 -0.65 118.70 125.16 3duq s GLU 180 Ca 0.11 -0.25 0.01 0.00 0.36 0.00 0.00 54.97 55.20 3duq s GLU 180 Cb -0.12 -3.72 -0.02 0.00 0.26 0.00 0.00 34.13 30.53 3duq s GLU 180 CO 0.02 -0.34 -0.10 0.08 -0.54 0.00 0.00 175.26 174.38 3duq s VAL 181 N 1.95 3.37 -0.24 3.70 1.01 0.06 -0.05 120.40 130.20 3duq s VAL 181 Ca 0.11 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 3duq s VAL 181 Cb -0.16 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 3duq s VAL 181 CO 0.11 0.56 0.15 -0.70 0.00 0.00 0.00 175.10 175.22 3duq s GLU 182 N -0.30 4.01 0.77 2.72 2.12 0.87 -0.77 118.70 128.11 3duq s GLU 182 Ca 0.03 -0.30 -0.08 0.00 0.36 0.00 0.00 54.97 54.98 3duq s GLU 182 Cb -0.13 -3.51 0.10 0.00 0.26 0.00 0.00 34.13 30.85 3duq s GLU 182 CO 0.03 0.02 1.08 -0.51 -0.54 0.00 0.00 175.26 175.34 3duq s LEU 183 N 1.16 2.80 0.56 2.70 1.43 0.65 -1.56 118.68 126.42 3duq s LEU 183 Ca 0.07 0.30 0.25 0.00 -1.03 0.00 0.00 54.13 53.72 3duq s LEU 183 Cb -0.14 -2.77 1.57 0.00 0.03 0.00 0.00 46.19 44.88 3duq s LEU 183 CO 0.05 -1.89 2.17 0.50 0.23 0.00 0.00 176.35 177.41 3duq h LYS 184 N -0.83 0.00 -0.10 1.70 3.64 -1.86 -1.47 116.57 117.65 3duq h LYS 184 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3duq h LYS 184 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3duq h LYS 184 CO 0.53 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.31 3duq n ASP 185 N -4.12 1.85 0.00 4.20 5.68 -1.26 -4.92 116.55 117.99 3duq n ASP 185 Ca -0.01 -1.66 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 3duq n ASP 185 Cb 0.18 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 3duq n ASP 185 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3duq n GLY 186 N 1.20 0.78 3.93 6.12 0.00 -0.55 -5.05 105.19 111.62 3duq n GLY 186 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3duq n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3duq s SER 187 N -3.00 5.77 0.16 1.61 1.04 -1.26 -4.82 113.70 113.20 3duq s SER 187 Ca 0.00 0.59 0.08 0.00 0.48 0.00 0.00 55.95 57.10 3duq s SER 187 Cb 0.00 -1.72 -0.04 0.00 0.10 0.00 0.00 66.02 64.36 3duq s SER 187 CO 0.00 -0.87 -0.16 0.42 0.98 0.00 0.00 173.24 173.61 3duq s THR 188 N -2.80 1.66 0.14 2.02 -4.23 -1.26 -0.25 115.64 110.93 3duq s THR 188 Ca 0.51 -1.91 0.05 0.00 -1.18 0.00 0.00 61.69 59.16 3duq s THR 188 Cb -0.10 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.91 3duq s THR 188 CO 0.43 -0.39 -0.12 -0.13 -0.54 0.00 0.00 174.62 173.87 3duq s ARG 189 N -2.90 1.07 0.02 3.99 1.81 0.05 -4.89 118.95 118.10 3duq s ARG 189 Ca 0.15 -1.40 -0.07 0.00 -1.72 0.00 0.00 55.73 52.69 3duq s ARG 189 Cb -0.05 -0.74 -0.05 0.00 -0.45 0.00 0.00 34.95 33.66 3duq s ARG 189 CO 0.06 0.11 0.29 -0.51 -0.68 0.00 0.00 175.30 174.57 3duq s LEU 190 N -2.96 4.37 -0.11 2.53 1.43 -1.26 -0.76 118.68 121.91 3duq s LEU 190 Ca 0.15 0.60 0.02 0.00 -1.03 0.00 0.00 54.13 53.86 3duq s LEU 190 Cb -0.00 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.52 3duq s LEU 190 CO 0.02 0.24 -0.15 -0.76 0.23 0.00 0.00 176.35 175.94 3duq s LEU 191 N -1.76 1.69 0.25 1.79 1.43 0.17 -4.96 118.68 117.29 3duq s LEU 191 Ca 0.28 -0.42 -0.31 0.00 -1.03 0.00 0.00 54.13 52.66 3duq s LEU 191 Cb -0.13 -1.06 -0.11 0.00 0.03 0.00 0.00 46.19 44.91 3duq s LEU 191 CO 0.16 0.01 1.61 -2.16 0.23 0.00 0.00 176.35 176.20 3duq s PRO 192 N 1.02 4.14 0.40 1.29 0.05 -1.26 -1.50 135.00 139.14 3duq s PRO 192 Ca -0.06 2.54 0.15 0.00 0.05 0.00 0.00 61.00 63.68 3duq s PRO 192 Cb -0.15 -3.06 1.00 0.00 0.05 0.00 0.00 34.50 32.35 3duq s PRO 192 CO -0.02 -0.65 1.87 1.98 0.05 0.00 0.00 177.00 180.24 3duq h MET 193 N 5.58 0.47 0.00 4.56 4.05 -0.27 -1.83 114.93 127.50 3duq h MET 193 Ca -0.45 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 3duq h MET 193 Cb 1.21 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.91 3duq h MET 193 CO 0.85 0.31 0.00 1.04 0.23 0.00 0.00 176.91 179.34 3duq n GLN 194 N -4.52 0.69 -0.09 0.39 1.13 -1.26 -3.15 117.38 110.57 3duq n GLN 194 Ca 0.18 0.01 0.08 0.00 -1.94 0.00 0.00 57.00 55.33 3duq n GLN 194 Cb 0.60 -1.50 0.11 0.00 0.11 0.00 0.00 30.24 29.56 3duq n GLN 194 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3duq n MET 195 N -1.11 1.36 -4.63 -1.09 2.81 -0.69 -5.02 117.12 108.74 3duq n MET 195 Ca 0.18 -2.34 -0.23 0.00 -1.81 0.00 0.00 57.70 53.50 3duq n MET 195 Cb 0.15 -1.37 -0.15 0.00 -0.71 0.00 0.00 33.22 31.14 3duq n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3duq s VAL 196 N -2.46 1.29 -0.38 2.03 -7.23 -1.19 -4.42 120.40 108.04 3duq s VAL 196 Ca 0.26 -0.84 -0.13 0.00 -1.81 0.00 0.00 61.98 59.46 3duq s VAL 196 Cb 0.23 -1.10 0.02 0.00 0.56 0.00 0.00 36.38 36.08 3duq s VAL 196 CO 0.02 0.25 0.24 -0.75 -0.31 0.00 0.00 175.10 174.55 3duq s LYS 197 N -0.69 3.00 -0.40 4.82 2.20 0.20 -4.98 119.74 123.90 3duq s LYS 197 Ca 0.05 -0.98 -0.20 0.00 -0.36 0.00 0.00 55.97 54.49 3duq s LYS 197 Cb -0.07 -3.83 0.01 0.00 -1.51 0.00 0.00 37.83 32.44 3duq s LYS 197 CO 0.00 -0.67 0.60 0.08 -0.36 0.00 0.00 175.35 175.01 3duq s VAL 198 N 1.63 4.90 0.67 4.02 1.01 -1.26 -0.89 120.40 130.48 3duq s VAL 198 Ca 0.04 0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.30 3duq s VAL 198 Cb -0.19 -4.11 0.12 0.00 0.00 0.00 0.00 36.38 32.20 3duq s VAL 198 CO 0.08 -0.44 0.93 -1.10 0.00 0.00 0.00 175.10 174.57 3duq s GLN 199 N 2.66 1.87 0.34 2.72 -0.21 -0.63 -5.04 119.66 121.37 3duq s GLN 199 Ca 0.21 -1.41 0.18 0.00 0.02 0.00 0.00 55.36 54.36 3duq s GLN 199 Cb -0.15 -2.46 0.17 0.00 1.00 0.00 0.00 33.01 31.57 3duq s GLN 199 CO 0.16 -1.26 1.50 0.66 -2.12 0.00 0.00 175.29 174.23 3duq h SER 200 N -0.26 0.00 0.00 5.90 4.64 -2.02 -3.36 113.55 118.45 3duq h SER 200 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3duq h SER 200 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3duq h SER 200 CO 0.39 0.30 0.00 -0.46 -0.87 0.00 0.00 176.83 176.19 3duq n ASN 201 N -3.16 0.63 -3.68 4.97 0.23 -1.26 -5.10 115.26 107.89 3duq n ASN 201 Ca 0.03 -1.11 -0.07 0.00 -0.53 0.00 0.00 54.58 52.90 3duq n ASN 201 Cb 0.65 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.33 3duq n ASN 201 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3duq s ARG 202 N -0.11 1.36 -0.21 -3.83 1.70 -1.26 -4.49 118.95 112.11 3duq s ARG 202 Ca 0.00 -0.68 -0.02 0.00 -0.47 0.00 0.00 55.73 54.56 3duq s ARG 202 Cb 0.00 0.51 0.01 0.00 -0.57 0.00 0.00 34.95 34.90 3duq s ARG 202 CO 0.00 -0.62 -0.10 0.08 -1.08 0.00 0.00 175.30 173.58 3duq s VAL 203 N -3.58 2.83 -0.17 4.99 1.01 -0.31 -1.61 120.40 123.56 3duq s VAL 203 Ca 0.08 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 3duq s VAL 203 Cb -0.03 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3duq s VAL 203 CO -0.01 0.42 0.09 -2.28 0.00 0.00 0.00 175.10 173.31 3duq s HIS 204 N 1.39 3.33 -0.30 5.22 2.46 -0.07 -0.21 115.29 127.12 3duq s HIS 204 Ca 0.04 0.21 0.00 0.00 0.47 0.00 0.00 55.06 55.79 3duq s HIS 204 Cb -0.14 -2.07 0.06 0.00 -0.13 0.00 0.00 32.58 30.30 3duq s HIS 204 CO -0.07 0.29 -0.02 0.08 -2.47 0.00 0.00 174.74 172.55 3duq s VAL 205 N 0.11 2.66 0.16 0.89 1.01 0.13 -0.63 120.40 124.73 3duq s VAL 205 Ca 0.07 -1.62 0.01 0.00 0.00 0.00 0.00 61.98 60.43 3duq s VAL 205 Cb -0.12 -2.61 -0.16 0.00 0.00 0.00 0.00 36.38 33.50 3duq s VAL 205 CO 0.00 -0.18 1.36 -1.13 0.00 0.00 0.00 175.10 175.16 3duq h ASN 206 N 7.89 0.32 -0.40 3.32 -0.00 -1.85 -1.71 115.58 123.16 3duq h ASN 206 Ca -0.18 -0.26 -0.13 0.00 -0.00 0.00 0.00 56.30 55.73 3duq h ASN 206 Cb 1.05 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 39.26 3duq h ASN 206 CO 0.52 1.06 -0.25 0.00 -0.00 0.00 0.00 177.43 178.76 3duq h ALA 207 N 0.92 0.73 -3.65 1.57 0.00 -1.87 -3.40 119.26 113.56 3duq h ALA 207 Ca -0.05 -0.40 -0.68 0.00 0.00 0.00 0.00 54.91 53.78 3duq h ALA 207 Cb 1.51 -0.15 -0.21 0.00 0.00 0.00 0.00 17.79 18.94 3duq h ALA 207 CO 0.14 0.66 -0.71 -0.51 0.00 0.00 0.00 179.25 178.83 3duq s LEU 208 N -8.98 3.05 0.38 0.00 1.43 -1.26 -3.49 118.68 109.81 3duq s LEU 208 Ca -0.11 -0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 52.75 3duq s LEU 208 Cb 0.12 -1.67 -0.08 0.00 0.03 0.00 0.00 46.19 44.59 3duq s LEU 208 CO 0.86 0.31 0.80 -0.94 0.23 0.00 0.00 176.35 177.62 3duq s SER 209 N -0.52 6.71 0.31 2.29 1.04 -1.26 -1.31 113.70 120.96 3duq s SER 209 Ca 0.07 1.33 0.04 0.00 0.48 0.00 0.00 55.95 57.87 3duq s SER 209 Cb -0.12 -2.40 0.80 0.00 0.10 0.00 0.00 66.02 64.40 3duq s SER 209 CO 0.02 -0.32 1.59 0.77 0.98 0.00 0.00 173.24 176.28 3duq h SER 210 N 1.79 -0.29 0.19 7.02 4.64 -1.85 0.24 113.55 125.28 3duq h SER 210 Ca -0.48 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3duq h SER 210 Cb 1.18 0.41 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 3duq h SER 210 CO 0.64 -0.32 0.00 -0.90 -0.87 0.00 0.00 176.83 175.38 3duq n ASP 211 N -5.41 0.00 -0.35 4.97 5.75 -1.26 -2.56 116.55 117.70 3duq n ASP 211 Ca 0.24 0.21 0.07 0.00 -0.01 0.00 0.00 54.79 55.31 3duq n ASP 211 Cb 0.79 -0.32 -0.00 0.00 -1.03 0.00 0.00 41.12 40.56 3duq n ASP 211 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3duq n LEU 212 N -1.32 1.57 0.04 -2.12 4.77 0.07 -4.52 117.00 115.49 3duq n LEU 212 Ca 0.04 -0.77 -0.01 0.00 -0.03 0.00 0.00 56.01 55.24 3duq n LEU 212 Cb 0.07 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.45 3duq n LEU 212 CO 0.07 0.30 0.84 -0.26 -1.33 0.00 0.00 177.39 177.01 3duq h PHE 213 N 1.69 0.44 -0.23 -1.77 -1.00 -1.60 -2.17 116.94 112.30 3duq h PHE 213 Ca 0.00 -0.07 -0.05 0.00 2.81 0.00 0.00 57.97 60.67 3duq h PHE 213 Cb 0.51 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 3duq h PHE 213 CO 0.00 0.54 -0.07 0.00 -1.61 0.00 0.00 178.31 177.17 3duq h ALA 214 N 1.47 1.46 0.00 2.45 0.00 -1.80 -2.24 119.26 120.60 3duq h ALA 214 Ca 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3duq h ALA 214 Cb 0.48 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3duq h ALA 214 CO 0.03 0.38 -0.07 0.78 0.00 0.00 0.00 179.25 180.37 3duq h GLY 215 N 0.77 0.00 -6.00 0.00 0.00 -1.68 -3.44 103.07 92.72 3duq h GLY 215 Ca 0.07 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.73 3duq h GLY 215 CO 0.02 0.00 1.00 1.39 0.00 0.00 0.00 176.54 178.95 3duq n ILE 216 N -3.20 0.45 -1.69 2.60 5.41 -0.84 -4.85 119.36 117.23 3duq n ILE 216 Ca 0.00 -0.08 -0.42 0.00 1.00 0.00 0.00 62.75 63.26 3duq n ILE 216 Cb 0.34 -1.57 0.01 0.00 -0.71 0.00 0.00 39.64 37.71 3duq n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3duq n PRO 217 N 5.99 1.91 -3.32 0.38 -0.02 -1.26 -5.00 135.00 133.69 3duq n PRO 217 Ca 0.24 0.68 -0.27 0.00 -2.02 0.00 0.00 63.50 62.13 3duq n PRO 217 Cb 0.22 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 3duq n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3duq s THR 218 N -1.17 5.06 -0.02 3.45 -4.23 -1.26 -4.78 115.64 112.68 3duq s THR 218 Ca 0.59 -0.16 -0.06 0.00 -1.18 0.00 0.00 61.69 60.88 3duq s THR 218 Cb -0.54 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 69.47 3duq s THR 218 CO 0.59 -0.45 0.22 0.27 -0.54 0.00 0.00 174.62 174.71 3duq s ILE 219 N -2.21 5.38 0.14 2.99 -4.36 -1.26 -5.02 121.20 116.85 3duq s ILE 219 Ca 0.42 0.10 -0.10 0.00 -0.26 0.00 0.00 60.65 60.81 3duq s ILE 219 Cb -0.10 -3.53 -0.06 0.00 1.25 0.00 0.00 42.46 40.02 3duq s ILE 219 CO 0.33 0.41 1.45 0.07 0.24 0.00 0.00 174.94 177.45 3duq h LYS 220 N 4.16 0.86 -6.10 0.37 2.10 -2.00 -3.43 116.57 112.54 3duq h LYS 220 Ca -0.51 -0.50 -0.68 0.00 -2.00 0.00 0.00 60.65 56.96 3duq h LYS 220 Cb 1.20 0.04 -0.21 0.00 -0.90 0.00 0.00 32.23 32.37 3duq h LYS 220 CO 0.65 1.14 -0.71 0.45 -2.00 0.00 0.00 179.45 178.98 3duq s SER 221 N -6.90 4.48 0.00 7.07 0.15 -1.26 -5.03 113.70 112.21 3duq s SER 221 Ca -0.10 -0.08 0.14 0.00 0.70 0.00 0.00 55.95 56.61 3duq s SER 221 Cb 0.11 -1.15 0.64 0.00 -1.71 0.00 0.00 66.02 63.91 3duq s SER 221 CO 0.88 0.34 1.44 -0.81 1.20 0.00 0.00 173.24 176.29 3duq n PRO 222 N 2.37 0.05 -0.08 5.44 -0.04 -1.26 -3.59 135.00 137.88 3duq n PRO 222 Ca -0.18 0.23 0.07 0.00 -0.04 0.00 0.00 63.50 63.59 3duq n PRO 222 Cb 0.53 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.59 3duq n PRO 222 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3duq n THR 223 N -1.45 1.56 -3.60 0.52 -2.24 -1.26 -4.92 114.28 102.89 3duq n THR 223 Ca 0.04 -1.84 -0.16 0.00 -2.27 0.00 0.00 64.05 59.82 3duq n THR 223 Cb 0.16 -0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.29 3duq n THR 223 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3duq s GLU 224 N -2.28 0.94 0.03 -0.78 2.02 -1.24 -4.65 118.70 112.74 3duq s GLU 224 Ca 0.23 0.10 0.04 0.00 0.02 0.00 0.00 54.97 55.36 3duq s GLU 224 Cb 0.20 0.44 -0.02 0.00 0.10 0.00 0.00 34.13 34.85 3duq s GLU 224 CO 0.02 -0.29 -0.13 0.14 0.02 0.00 0.00 175.26 175.02 3duq s VAL 225 N -1.29 1.05 0.24 2.63 -7.23 -1.26 -4.56 120.40 109.98 3duq s VAL 225 Ca -0.12 -0.88 0.08 0.00 -1.81 0.00 0.00 61.98 59.25 3duq s VAL 225 Cb -0.02 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 3duq s VAL 225 CO 0.08 0.06 0.11 0.42 -0.31 0.00 0.00 175.10 175.45 3duq s THR 226 N -0.73 4.08 0.34 5.32 -4.23 -1.26 -3.92 115.64 115.24 3duq s THR 226 Ca 0.02 -1.52 0.08 0.00 -1.18 0.00 0.00 61.69 59.09 3duq s THR 226 Cb -0.07 -3.17 0.32 0.00 1.34 0.00 0.00 72.50 70.92 3duq s THR 226 CO 0.01 -0.31 1.83 -0.07 -0.54 0.00 0.00 174.62 175.54 3duq h LEU 227 N 1.84 0.70 -0.47 4.79 3.38 -1.13 0.32 115.31 124.73 3duq h LEU 227 Ca -0.47 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 3duq h LEU 227 Cb 1.23 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 3duq h LEU 227 CO 0.61 0.31 0.10 0.25 0.09 0.00 0.00 178.44 179.79 3duq h LEU 228 N 0.71 0.73 -0.45 1.67 5.85 -1.40 -2.31 115.31 120.11 3duq h LEU 228 Ca 0.51 -0.25 -0.16 0.00 0.84 0.00 0.00 57.88 58.82 3duq h LEU 228 Cb 0.84 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3duq h LEU 228 CO -0.27 0.79 -0.76 -0.33 -0.34 0.00 0.00 178.44 177.53 3duq h GLU 229 N 0.64 0.00 -0.73 1.25 5.08 -0.88 -1.43 114.58 118.52 3duq h GLU 229 Ca 0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3duq h GLU 229 Cb 0.36 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3duq h GLU 229 CO 0.01 0.76 0.44 0.93 -1.00 0.00 0.00 179.01 180.15 3duq h GLU 230 N 0.00 0.99 -0.26 2.33 5.08 -0.47 -1.67 114.58 120.57 3duq h GLU 230 Ca -0.01 -0.09 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 3duq h GLU 230 Cb 1.36 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3duq h GLU 230 CO 0.10 0.70 -0.52 -0.44 -1.00 0.00 0.00 179.01 177.85 3duq h ASP 231 N 0.99 0.91 0.30 1.42 5.19 -1.10 0.53 116.42 124.67 3duq h ASP 231 Ca 0.26 -0.54 -0.06 0.00 -0.62 0.00 0.00 57.03 56.07 3duq h ASP 231 Cb -0.03 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.21 3duq h ASP 231 CO -0.05 1.28 -0.29 0.11 -3.12 0.00 0.00 179.24 177.17 3duq h LYS 232 N 0.58 0.00 0.00 3.56 1.57 -1.09 0.56 116.57 121.75 3duq h LYS 232 Ca 0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3duq h LYS 232 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 3duq h LYS 232 CO 0.12 0.29 -0.13 0.82 -0.57 0.00 0.00 179.45 179.97 3duq h ILE 233 N 0.00 0.77 -0.58 1.86 2.04 -0.79 -2.53 117.51 118.27 3duq h ILE 233 Ca -0.00 -1.61 0.07 0.00 1.00 0.00 0.00 64.86 64.32 3duq h ILE 233 Cb 0.52 1.49 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 3duq h ILE 233 CO 0.04 0.26 0.26 0.00 0.00 0.00 0.00 178.15 178.71 3duq h GLY 235 N 0.48 -1.03 0.58 0.00 0.00 -0.99 -0.81 103.07 101.29 3duq h GLY 235 Ca 0.28 0.61 0.04 0.00 0.00 0.00 0.00 47.33 48.26 3duq h GLY 235 CO -0.24 -0.25 -0.04 -1.82 0.00 0.00 0.00 176.54 174.19 3duq h TYR 236 N -0.68 -0.09 -0.67 5.60 3.20 -0.92 -1.37 116.97 122.04 3duq h TYR 236 Ca 0.02 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 3duq h TYR 236 Cb 0.72 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 3duq h TYR 236 CO -0.46 -0.08 0.21 0.28 -1.64 0.00 0.00 178.16 176.47 3duq h VAL 237 N 0.02 1.25 -0.54 1.81 2.07 -0.96 -2.68 116.25 117.22 3duq h VAL 237 Ca 0.11 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 3duq h VAL 237 Cb 0.16 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3duq h VAL 237 CO -0.22 0.34 0.31 0.00 0.02 0.00 0.00 177.57 178.02 3duq h ALA 238 N 1.09 0.69 0.00 1.67 0.00 -0.79 -2.65 119.26 119.27 3duq h ALA 238 Ca 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3duq h ALA 238 Cb 0.30 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3duq h ALA 238 CO -0.01 0.19 -0.01 0.78 0.00 0.00 0.00 179.25 180.21 3duq h GLY 239 N 0.73 0.00 1.33 0.00 0.00 -0.82 -2.26 103.07 102.04 3duq h GLY 239 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 3duq h GLY 239 CO -0.03 0.00 0.39 -1.33 0.00 0.00 0.00 176.54 175.57 3duq h GLY 240 N 0.05 0.95 -0.16 4.60 0.00 -1.31 -0.36 103.07 106.85 3duq h GLY 240 Ca -0.00 -0.39 0.18 0.00 0.00 0.00 0.00 47.33 47.12 3duq h GLY 240 CO 0.00 0.38 0.24 1.41 0.00 0.00 0.00 176.54 178.57 3duq h LEU 241 N 0.90 0.09 0.05 3.11 3.38 -1.44 0.67 115.31 122.07 3duq h LEU 241 Ca 0.24 0.16 -0.35 0.00 0.09 0.00 0.00 57.88 58.01 3duq h LEU 241 Cb -0.03 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3duq h LEU 241 CO -0.04 -0.04 -2.04 0.80 0.09 0.00 0.00 178.44 177.20 3duq n MET 242 N -5.14 0.69 0.03 1.13 1.56 -0.88 -4.24 117.12 110.27 3duq n MET 242 Ca 0.17 0.22 0.07 0.00 -0.27 0.00 0.00 57.70 57.89 3duq n MET 242 Cb 0.54 -1.68 -0.09 0.00 2.15 0.00 0.00 33.22 34.14 3duq n MET 242 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 3duq n TYR 243 N -3.22 0.57 0.57 1.12 4.01 -0.20 -3.98 117.16 116.03 3duq n TYR 243 Ca -0.30 0.17 0.12 0.00 -0.16 0.00 0.00 57.90 57.73 3duq n TYR 243 Cb 1.05 -0.83 0.16 0.00 -0.31 0.00 0.00 39.34 39.41 3duq n TYR 243 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3duq n ALA 244 N -2.30 2.96 -0.15 -0.72 0.00 0.23 -4.52 120.51 116.01 3duq n ALA 244 Ca -0.06 -0.26 0.06 0.00 0.00 0.00 0.00 53.44 53.18 3duq n ALA 244 Cb 0.67 -1.16 0.12 0.00 0.00 0.00 0.00 19.45 19.08 3duq n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3duq n ALA 245 N -1.83 0.20 0.25 0.00 0.00 -1.22 0.16 120.51 118.08 3duq n ALA 245 Ca 0.03 0.46 0.08 0.00 0.00 0.00 0.00 53.44 54.01 3duq n ALA 245 Cb 0.44 -0.33 0.63 0.00 0.00 0.00 0.00 19.45 20.20 3duq n ALA 245 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3duq h PRO 246 N 0.00 0.00 0.00 0.00 0.10 -1.88 -2.50 132.00 127.72 3duq h PRO 246 Ca 0.25 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.35 3duq h PRO 246 Cb 0.50 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.60 3duq h PRO 246 CO -0.40 0.05 -0.46 1.63 0.10 0.00 0.00 178.00 178.92 3duq n LYS 247 N -4.39 0.27 -2.92 1.05 4.01 0.43 -4.88 118.16 111.73 3duq n LYS 247 Ca -0.03 0.12 -0.41 0.00 -0.51 0.00 0.00 58.31 57.48 3duq n LYS 247 Cb 0.13 -1.71 -0.04 0.00 -0.51 0.00 0.00 35.03 32.90 3duq n LYS 247 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 3duq s ARG 248 N -3.14 4.28 -0.00 1.97 3.52 -0.94 -4.20 118.95 120.43 3duq s ARG 248 Ca 0.08 0.95 -0.00 0.00 -0.13 0.00 0.00 55.73 56.62 3duq s ARG 248 Cb 0.13 -3.58 -0.00 0.00 -1.56 0.00 0.00 34.95 29.94 3duq s ARG 248 CO 0.69 -0.33 -0.01 0.36 -0.81 0.00 0.00 175.30 175.20 3duq n LYS 249 N 5.26 0.01 0.00 5.12 2.85 -1.24 -5.00 118.16 125.16 3duq n LYS 249 Ca 0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 3duq n LYS 249 Cb 0.49 -0.37 0.00 0.00 -0.65 0.00 0.00 35.03 34.50 3duq n LYS 249 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80