#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3du3 h LEU 12 N 0.00 -1.27 -0.66 -2.12 5.85 -2.05 -0.71 115.31 114.35 3du3 h LEU 12 Ca 0.00 0.13 0.14 0.00 0.84 0.00 0.00 57.88 58.99 3du3 h LEU 12 Cb 0.00 0.46 -0.11 0.00 0.37 0.00 0.00 40.66 41.38 3du3 h LEU 12 CO 0.00 -0.52 0.01 0.00 -0.34 0.00 0.00 178.44 177.59 3du3 h ALA 13 N -0.31 0.67 -0.50 1.25 0.00 -2.06 0.38 119.26 118.69 3du3 h ALA 13 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3du3 h ALA 13 Cb 0.71 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3du3 h ALA 13 CO -0.21 -0.39 0.28 0.77 0.00 0.00 0.00 179.25 179.69 3du3 h SER 14 N 0.13 0.60 0.47 0.00 0.02 -1.90 -0.92 113.55 111.95 3du3 h SER 14 Ca 0.35 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 3du3 h SER 14 Cb 0.58 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3du3 h SER 14 CO -0.56 0.48 -0.23 0.25 -1.14 0.00 0.00 176.83 175.64 3du3 h LEU 15 N 0.69 -0.54 -0.31 5.07 5.85 0.11 -2.67 115.31 123.51 3du3 h LEU 15 Ca 0.18 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.89 3du3 h LEU 15 Cb 0.01 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 3du3 h LEU 15 CO -0.03 -0.21 -0.13 0.00 -0.34 0.00 0.00 178.44 177.73 3du3 h ALA 16 N -0.51 0.13 -0.26 1.25 0.00 0.10 -0.50 119.26 119.46 3du3 h ALA 16 Ca -0.06 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3du3 h ALA 16 Cb 0.58 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3du3 h ALA 16 CO 0.11 -0.52 -0.27 0.97 0.00 0.00 0.00 179.25 179.54 3du3 h ILE 17 N -0.08 1.27 -0.44 0.00 6.09 -1.25 0.11 117.51 123.22 3du3 h ILE 17 Ca 0.16 -1.32 -0.13 0.00 -1.37 0.00 0.00 64.86 62.20 3du3 h ILE 17 Cb 0.32 1.37 -0.01 0.00 0.47 0.00 0.00 36.82 38.97 3du3 h ILE 17 CO -0.37 0.42 -0.24 0.22 -3.07 0.00 0.00 178.15 175.11 3du3 h TYR 18 N 0.45 1.09 -0.25 2.19 3.20 -1.15 -2.16 116.97 120.34 3du3 h TYR 18 Ca 0.06 -0.28 0.02 0.00 3.14 0.00 0.00 58.73 61.67 3du3 h TYR 18 Cb 0.71 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 3du3 h TYR 18 CO 0.02 1.09 0.10 0.77 -1.64 0.00 0.00 178.16 178.51 3du3 h SER 19 N 0.78 0.13 -0.11 -2.11 0.02 -0.23 -2.87 113.55 109.16 3du3 h SER 19 Ca 0.09 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3du3 h SER 19 Cb 0.82 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 3du3 h SER 19 CO 0.07 0.11 0.07 0.15 -1.14 0.00 0.00 176.83 176.08 3du3 h PHE 20 N 0.22 0.14 0.00 3.45 3.57 -0.64 -0.65 116.94 123.03 3du3 h PHE 20 Ca 0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3du3 h PHE 20 Cb 0.06 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.75 3du3 h PHE 20 CO -0.11 0.12 0.01 -1.49 -2.23 0.00 0.00 178.31 174.61 3du3 h TRP 21 N 0.12 0.00 0.07 0.41 4.06 -1.26 0.16 115.95 119.51 3du3 h TRP 21 Ca 0.04 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.78 3du3 h TRP 21 Cb 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.17 3du3 h TRP 21 CO -0.06 0.00 -1.09 0.82 -3.56 0.00 0.00 178.44 174.55 3du3 h ILE 22 N 0.00 1.17 -0.07 1.49 2.04 -1.09 -3.16 117.51 117.89 3du3 h ILE 22 Ca 0.00 -2.35 0.04 0.00 1.00 0.00 0.00 64.86 63.55 3du3 h ILE 22 Cb 0.03 2.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.81 3du3 h ILE 22 CO 0.00 0.60 -0.27 0.15 0.00 0.00 0.00 178.15 178.63 3du3 h PHE 23 N -0.58 -0.74 -0.91 1.37 3.57 0.36 -2.23 116.94 117.78 3du3 h PHE 23 Ca -0.25 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.45 3du3 h PHE 23 Cb 1.52 0.34 -0.07 0.00 2.79 0.00 0.00 35.95 40.52 3du3 h PHE 23 CO 0.15 -0.36 0.59 1.25 -2.23 0.00 0.00 178.31 177.71 3du3 h LEU 24 N -0.38 0.58 -0.28 0.59 5.85 -0.91 -1.51 115.31 119.25 3du3 h LEU 24 Ca 0.08 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 3du3 h LEU 24 Cb 0.50 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3du3 h LEU 24 CO -0.28 0.26 -0.11 0.00 -0.34 0.00 0.00 178.44 177.96 3du3 h ALA 25 N 1.61 0.40 0.00 1.25 0.00 -1.37 -0.05 119.26 121.10 3du3 h ALA 25 Ca 0.48 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3du3 h ALA 25 Cb 0.92 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3du3 h ALA 25 CO -0.22 0.26 -0.40 0.78 0.00 0.00 0.00 179.25 179.66 3du3 h GLY 26 N 0.33 0.00 1.08 0.00 0.00 -1.15 -2.11 103.07 101.21 3du3 h GLY 26 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.20 3du3 h GLY 26 CO 0.04 0.00 -0.70 -2.00 0.00 0.00 0.00 176.54 173.88 3du3 h LEU 27 N 0.00 0.84 -0.82 3.11 5.85 -1.14 0.20 115.31 123.35 3du3 h LEU 27 Ca -0.00 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.08 3du3 h LEU 27 Cb 0.89 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.67 3du3 h LEU 27 CO 0.05 1.35 0.00 0.40 -0.34 0.00 0.00 178.44 179.90 3du3 h ILE 28 N 0.40 0.00 0.12 4.05 1.08 -0.84 -0.46 117.51 121.86 3du3 h ILE 28 Ca -0.05 -0.50 -0.27 0.00 -0.39 0.00 0.00 64.86 63.65 3du3 h ILE 28 Cb 1.34 1.42 0.00 0.00 -3.07 0.00 0.00 36.82 36.51 3du3 h ILE 28 CO 0.14 0.00 -1.37 0.22 -0.69 0.00 0.00 178.15 176.46 3du3 h TYR 29 N 0.00 0.47 0.22 1.37 3.20 -1.19 -2.67 116.97 118.36 3du3 h TYR 29 Ca 0.00 -0.34 -0.01 0.00 3.14 0.00 0.00 58.73 61.52 3du3 h TYR 29 Cb 0.57 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.83 3du3 h TYR 29 CO 0.00 1.53 -0.10 -0.92 -1.64 0.00 0.00 178.16 177.03 3du3 h TYR 30 N -0.29 -0.27 -0.82 -3.82 3.20 -0.45 -2.30 116.97 112.22 3du3 h TYR 30 Ca -0.29 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.63 3du3 h TYR 30 Cb 1.76 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 40.07 3du3 h TYR 30 CO 0.13 -0.05 0.54 -0.07 -1.64 0.00 0.00 178.16 177.07 3du3 h LEU 31 N -0.45 0.82 -0.34 2.82 3.38 -1.23 -1.99 115.31 118.32 3du3 h LEU 31 Ca -0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 3du3 h LEU 31 Cb 0.34 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3du3 h LEU 31 CO 0.05 0.54 -0.45 -0.61 0.09 0.00 0.00 178.44 178.06 3du3 h GLN 32 N 0.94 0.91 -0.02 1.13 5.75 -1.30 -2.95 115.11 119.56 3du3 h GLN 32 Ca 0.35 -0.52 -0.17 0.00 -0.15 0.00 0.00 58.65 58.16 3du3 h GLN 32 Cb 0.17 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 3du3 h GLN 32 CO -0.12 1.17 -0.76 1.79 -2.65 0.00 0.00 178.83 178.26 3du3 h THR 33 N 0.72 1.47 0.00 2.39 1.35 -1.18 -2.77 112.91 114.89 3du3 h THR 33 Ca 0.04 -2.40 0.00 0.00 -0.55 0.00 0.00 66.41 63.50 3du3 h THR 33 Cb 1.05 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 3du3 h THR 33 CO 0.11 0.70 0.00 -0.33 -0.25 0.00 0.00 175.52 175.74 3du3 h GLU 34 N 0.10 0.00 -0.95 4.72 4.39 -1.38 -2.33 114.58 119.14 3du3 h GLU 34 Ca -0.02 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.23 3du3 h GLU 34 Cb 1.33 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 29.71 3du3 h GLU 34 CO 0.11 0.00 0.57 0.09 -1.16 0.00 0.00 179.01 178.62 3du3 n ASN 35 N -2.80 4.00 0.00 1.42 3.02 -1.05 -3.78 115.26 116.08 3du3 n ASN 35 Ca 0.01 -3.52 0.00 0.00 -0.03 0.00 0.00 54.58 51.05 3du3 n ASN 35 Cb 0.30 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 3du3 n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3du3 n MET 36 N -0.92 1.06 0.00 3.52 2.81 -0.87 -4.73 117.12 117.99 3du3 n MET 36 Ca 0.56 -0.85 0.06 0.00 -1.81 0.00 0.00 57.70 55.66 3du3 n MET 36 Cb 1.61 -0.68 0.36 0.00 -0.71 0.00 0.00 33.22 33.80 3du3 n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3du3 n ARG 37 N -0.18 0.56 -3.60 0.03 1.74 -1.25 -4.56 116.66 109.40 3du3 n ARG 37 Ca 0.00 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 3du3 n ARG 37 Cb 0.40 -1.34 -0.07 0.00 -1.02 0.00 0.00 32.46 30.44 3du3 n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3du3 s GLU 38 N -2.00 0.92 0.00 5.56 2.02 -1.26 -3.76 118.70 120.18 3du3 s GLU 38 Ca 0.18 0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.32 3du3 s GLU 38 Cb 0.08 0.43 0.00 0.00 0.10 0.00 0.00 34.13 34.74 3du3 s GLU 38 CO 0.14 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.56 3du3 n GLY 39 N 1.12 1.91 3.58 -1.39 0.00 -1.26 -5.02 105.19 104.13 3du3 n GLY 39 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 3du3 n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3du3 s TYR 40 N -3.36 2.73 0.68 1.61 1.51 -1.26 -4.31 117.35 114.94 3du3 s TYR 40 Ca 0.00 -0.17 -0.14 0.00 -1.01 0.00 0.00 57.07 55.75 3du3 s TYR 40 Cb 0.00 -1.40 0.01 0.00 -0.11 0.00 0.00 41.96 40.45 3du3 s TYR 40 CO 0.00 0.44 1.11 -1.25 -1.11 0.00 0.00 175.55 174.74 3du3 s PRO 41 N -2.35 2.71 0.64 -1.71 0.04 -1.26 -4.88 135.00 128.19 3du3 s PRO 41 Ca 0.22 1.36 -0.17 0.00 0.04 0.00 0.00 61.00 62.45 3du3 s PRO 41 Cb -0.11 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 3du3 s PRO 41 CO 0.14 -1.32 1.18 -0.51 0.04 0.00 0.00 177.00 176.53 3du3 s LEU 42 N -5.03 3.53 0.14 -3.56 1.43 -1.26 -4.90 118.68 109.03 3du3 s LEU 42 Ca 0.66 2.27 0.07 0.00 -1.03 0.00 0.00 54.13 56.10 3du3 s LEU 42 Cb -0.20 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.40 3du3 s LEU 42 CO 0.44 -1.73 -0.15 -1.61 0.23 0.00 0.00 176.35 173.53 3du3 s GLU 43 N -3.63 1.11 0.82 1.70 2.02 -1.26 -0.66 118.70 118.80 3du3 s GLU 43 Ca 0.74 -1.32 -0.12 0.00 0.02 0.00 0.00 54.97 54.29 3du3 s GLU 43 Cb -0.27 -1.02 0.08 0.00 0.10 0.00 0.00 34.13 33.02 3du3 s GLU 43 CO 0.37 0.19 1.13 -0.80 0.02 0.00 0.00 175.26 176.18 3du3 s ASN 44 N -2.60 4.36 0.02 -0.19 0.01 -0.07 -4.69 114.94 111.78 3du3 s ASN 44 Ca 0.12 1.02 0.10 0.00 -0.71 0.00 0.00 52.86 53.39 3du3 s ASN 44 Cb -0.04 -1.65 0.43 0.00 0.41 0.00 0.00 41.25 40.40 3du3 s ASN 44 CO 0.04 -2.02 1.32 -0.62 -1.51 0.00 0.00 177.10 174.31 3du3 n GLU 45 N -3.43 0.01 0.00 -0.60 1.02 -1.26 -1.89 120.64 114.49 3du3 n GLU 45 Ca 0.07 0.35 0.12 0.00 -0.02 0.00 0.00 57.16 57.68 3du3 n GLU 45 Cb 0.59 -1.53 0.09 0.00 -0.02 0.00 0.00 31.44 30.57 3du3 n GLU 45 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3du3 n ASP 46 N -1.55 1.92 0.00 1.62 5.68 -1.26 -4.96 116.55 118.00 3du3 n ASP 46 Ca 0.02 -1.44 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 3du3 n ASP 46 Cb 0.11 0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 3du3 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3du3 n GLY 47 N 1.39 0.18 3.82 6.12 0.00 -0.79 -5.06 105.19 110.85 3du3 n GLY 47 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3du3 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3du3 s THR 48 N -2.00 4.46 0.25 2.61 -4.23 -1.26 -4.82 115.64 110.64 3du3 s THR 48 Ca 0.00 1.38 -0.31 0.00 -1.18 0.00 0.00 61.69 61.58 3du3 s THR 48 Cb 0.00 -3.73 -0.12 0.00 1.34 0.00 0.00 72.50 69.99 3du3 s THR 48 CO 0.00 -0.10 1.66 -2.65 -0.54 0.00 0.00 174.62 172.99 3du3 n PRO 49 N -0.09 2.74 -2.21 3.99 -0.02 -1.26 -0.90 135.00 137.25 3du3 n PRO 49 Ca 0.03 0.98 -0.37 0.00 -2.02 0.00 0.00 63.50 62.13 3du3 n PRO 49 Cb 0.52 -2.80 -0.00 0.00 -0.02 0.00 0.00 33.50 31.21 3du3 n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3du3 s ALA 50 N 0.61 2.91 0.15 3.55 0.00 0.16 -4.71 121.76 124.43 3du3 s ALA 50 Ca 0.70 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 53.50 3du3 s ALA 50 Cb -0.50 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.20 3du3 s ALA 50 CO 0.40 -0.75 1.51 0.00 0.00 0.00 0.00 175.76 176.93 3du3 h ALA 51 N 1.84 0.62 -2.85 0.00 0.00 -1.92 -3.42 119.26 113.53 3du3 h ALA 51 Ca -0.50 -0.41 -0.67 0.00 0.00 0.00 0.00 54.91 53.33 3du3 h ALA 51 Cb 1.26 -0.15 -0.22 0.00 0.00 0.00 0.00 17.79 18.68 3du3 h ALA 51 CO 0.59 0.65 -0.54 1.21 0.00 0.00 0.00 179.25 181.16 3du3 s ASN 52 N -6.74 5.65 0.00 0.00 2.47 -1.26 -4.92 114.94 110.13 3du3 s ASN 52 Ca -0.11 -0.48 0.10 0.00 0.42 0.00 0.00 52.86 52.79 3du3 s ASN 52 Cb 0.12 -2.03 0.05 0.00 -1.45 0.00 0.00 41.25 37.94 3du3 s ASN 52 CO 0.87 -0.19 0.77 0.00 -3.72 0.00 0.00 177.10 174.83 3du3 n GLN 53 N 5.00 1.03 0.00 0.43 1.13 -1.26 -4.91 117.38 118.80 3du3 n GLN 53 Ca -0.14 -0.95 0.00 0.00 -1.94 0.00 0.00 57.00 53.97 3du3 n GLN 53 Cb 0.49 -1.16 0.00 0.00 0.11 0.00 0.00 30.24 29.68 3du3 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3du3 n GLY 54 N 0.70 0.98 0.18 1.08 0.00 -1.26 -4.57 105.19 102.30 3du3 n GLY 54 Ca 0.06 -2.07 0.14 0.00 0.00 0.00 0.00 46.02 44.14 3du3 n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3du3 h PRO 55 N 0.00 0.00 -5.31 1.61 0.13 -2.04 -3.44 132.00 122.95 3du3 h PRO 55 Ca 0.00 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.51 3du3 h PRO 55 Cb 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.96 3du3 h PRO 55 CO 0.00 0.00 -0.58 -0.06 -0.23 0.00 0.00 178.00 177.13 3du3 s PHE 56 N -3.50 3.22 1.05 1.56 0.08 -1.26 -5.10 117.98 114.03 3du3 s PHE 56 Ca 0.02 0.03 -0.15 0.00 0.12 0.00 0.00 56.93 56.94 3du3 s PHE 56 Cb 0.09 -2.05 0.22 0.00 -0.57 0.00 0.00 43.02 40.71 3du3 s PHE 56 CO 0.39 0.15 1.14 -1.25 -0.10 0.00 0.00 175.22 175.55 3du3 s PRO 57 N 0.30 -0.03 0.19 0.24 0.04 -1.26 -5.02 135.00 129.46 3du3 s PRO 57 Ca 0.02 0.12 -0.24 0.00 0.04 0.00 0.00 61.00 60.94 3du3 s PRO 57 Cb -0.13 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.61 3du3 s PRO 57 CO 0.01 -2.95 0.77 -0.51 0.04 0.00 0.00 177.00 174.35 3du3 s LEU 58 N -6.48 4.51 0.86 -3.56 1.43 -1.26 -4.90 118.68 109.30 3du3 s LEU 58 Ca 0.68 1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 55.26 3du3 s LEU 58 Cb -0.12 -3.40 0.11 0.00 0.03 0.00 0.00 46.19 42.81 3du3 s LEU 58 CO 0.55 0.15 1.10 -2.16 0.23 0.00 0.00 176.35 176.22 3du3 s PRO 59 N -1.41 1.50 0.19 1.29 0.04 -1.26 -4.99 135.00 130.35 3du3 s PRO 59 Ca 0.38 1.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 3du3 s PRO 59 Cb -0.21 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 3du3 s PRO 59 CO 0.24 -2.14 1.12 0.15 0.04 0.00 0.00 177.00 176.41 3du3 s LYS 60 N -4.86 4.58 0.66 4.56 1.02 -1.26 -4.65 119.74 119.79 3du3 s LYS 60 Ca 0.63 1.76 -0.18 0.00 0.02 0.00 0.00 55.97 58.20 3du3 s LYS 60 Cb -0.19 -3.26 -0.00 0.00 -0.52 0.00 0.00 37.83 33.86 3du3 s LYS 60 CO 0.57 0.06 1.28 -2.14 -0.92 0.00 0.00 175.35 174.20 3du3 s PRO 61 N -0.48 2.47 0.07 -1.68 0.02 -1.26 -4.81 135.00 129.33 3du3 s PRO 61 Ca 0.49 2.01 0.06 0.00 0.02 0.00 0.00 61.00 63.59 3du3 s PRO 61 Cb -0.30 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.35 3du3 s PRO 61 CO 0.36 -1.64 -0.17 -1.59 -0.33 0.00 0.00 177.00 173.62 3du3 s LYS 62 N -3.47 1.05 -0.08 5.54 -2.85 -0.96 -4.99 119.74 113.98 3du3 s LYS 62 Ca 0.81 -0.96 0.03 0.00 -1.00 0.00 0.00 55.97 54.85 3du3 s LYS 62 Cb -0.36 -1.16 0.01 0.00 -2.06 0.00 0.00 37.83 34.26 3du3 s LYS 62 CO 0.40 0.28 -0.17 0.99 0.10 0.00 0.00 175.35 176.95 3du3 s THR 63 N -1.03 1.56 -0.22 3.79 2.01 -1.26 -1.66 115.64 118.82 3du3 s THR 63 Ca 0.03 -0.72 -0.12 0.00 0.31 0.00 0.00 61.69 61.19 3du3 s THR 63 Cb -0.09 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 3du3 s THR 63 CO 0.02 0.45 0.23 -0.36 -0.69 0.00 0.00 174.62 174.28 3du3 s PHE 64 N 0.55 3.34 -0.48 4.92 0.08 0.30 -4.97 117.98 121.73 3du3 s PHE 64 Ca -0.16 0.36 -0.15 0.00 0.12 0.00 0.00 56.93 57.10 3du3 s PHE 64 Cb -0.17 -2.34 0.09 0.00 -0.57 0.00 0.00 43.02 40.03 3du3 s PHE 64 CO 0.06 0.06 0.40 0.42 -0.10 0.00 0.00 175.22 176.06 3du3 s ILE 65 N 1.07 5.12 0.20 0.64 1.01 -1.26 0.10 121.20 128.08 3du3 s ILE 65 Ca 0.11 -1.19 -0.30 0.00 0.00 0.00 0.00 60.65 59.27 3du3 s ILE 65 Cb -0.14 -4.11 -0.08 0.00 0.01 0.00 0.00 42.46 38.14 3du3 s ILE 65 CO 0.05 -0.63 0.96 -0.76 0.00 0.00 0.00 174.94 174.55 3du3 s LEU 66 N 1.61 4.60 1.12 2.97 1.43 -0.77 -5.03 118.68 124.60 3du3 s LEU 66 Ca 0.04 1.92 -0.15 0.00 -1.03 0.00 0.00 54.13 54.91 3du3 s LEU 66 Cb -0.25 -3.60 0.25 0.00 0.03 0.00 0.00 46.19 42.61 3du3 s LEU 66 CO 0.05 0.08 1.07 -2.16 0.23 0.00 0.00 176.35 175.62 3du3 s PRO 67 N -0.84 -0.57 -1.51 1.29 0.05 -1.26 -4.03 135.00 128.13 3du3 s PRO 67 Ca 0.43 0.39 -0.04 0.00 0.05 0.00 0.00 61.00 61.84 3du3 s PRO 67 Cb -0.26 -1.63 0.01 0.00 0.05 0.00 0.00 34.50 32.68 3du3 s PRO 67 CO 0.32 -3.37 0.35 0.72 0.05 0.00 0.00 177.00 175.06 3du3 n HIS 68 N -4.60 -1.62 -2.38 0.56 8.25 -1.26 -2.14 115.22 112.03 3du3 n HIS 68 Ca 0.07 0.31 -0.15 0.00 -0.26 0.00 0.00 57.72 57.69 3du3 n HIS 68 Cb 0.57 -3.91 -0.01 0.00 1.12 0.00 0.00 29.99 27.77 3du3 n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3du3 n GLY 69 N -1.24 -0.40 0.00 -1.41 0.00 -1.26 -4.86 105.19 96.01 3du3 n GLY 69 Ca -0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.91 3du3 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3du3 n ARG 70 N -2.81 0.99 0.00 1.61 1.74 -0.91 -5.00 116.66 112.28 3du3 n ARG 70 Ca -0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 3du3 n ARG 70 Cb 0.62 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.96 3du3 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3du3 n GLY 71 N 0.59 -0.75 3.35 -0.13 0.00 -1.26 -4.96 105.19 102.03 3du3 n GLY 71 Ca 0.05 -1.95 -0.18 0.00 0.00 0.00 0.00 46.02 43.94 3du3 n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3du3 s THR 72 N 0.00 1.43 -0.09 2.61 -4.23 -1.26 -1.86 115.64 112.25 3du3 s THR 72 Ca 0.00 -2.11 -0.01 0.00 -1.18 0.00 0.00 61.69 58.39 3du3 s THR 72 Cb 0.00 -2.22 0.03 0.00 1.34 0.00 0.00 72.50 71.65 3du3 s THR 72 CO 0.00 -0.46 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.37 3du3 s LEU 73 N -3.33 0.84 -0.26 4.79 2.96 0.12 -4.94 118.68 118.85 3du3 s LEU 73 Ca 0.25 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.96 3du3 s LEU 73 Cb 0.03 -0.60 0.02 0.00 0.50 0.00 0.00 46.19 46.13 3du3 s LEU 73 CO 0.08 -0.16 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.05 3du3 s THR 74 N 1.85 3.26 -0.04 3.68 2.01 -1.26 -0.54 115.64 124.60 3du3 s THR 74 Ca 0.05 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.19 3du3 s THR 74 Cb -0.12 -2.66 -0.01 0.00 0.01 0.00 0.00 72.50 69.72 3du3 s THR 74 CO -0.06 0.16 -0.17 0.68 -0.69 0.00 0.00 174.62 174.54 3du3 s VAL 75 N 1.39 1.41 0.75 3.82 -7.23 -0.67 -3.64 120.40 116.22 3du3 s VAL 75 Ca 0.01 -0.72 -0.11 0.00 -1.81 0.00 0.00 61.98 59.36 3du3 s VAL 75 Cb -0.17 -1.20 0.04 0.00 0.56 0.00 0.00 36.38 35.61 3du3 s VAL 75 CO -0.02 0.40 1.08 -2.16 -0.31 0.00 0.00 175.10 174.10 3du3 s PRO 76 N -0.06 2.47 0.38 4.82 0.04 -1.25 -2.26 135.00 139.15 3du3 s PRO 76 Ca -0.01 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 61.99 3du3 s PRO 76 Cb -0.10 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.55 3du3 s PRO 76 CO 0.01 -1.47 0.71 0.20 0.04 0.00 0.00 177.00 176.49 3du3 s GLY 77 N -3.54 0.70 -0.04 0.56 0.00 -1.24 -4.81 107.32 98.96 3du3 s GLY 77 Ca 0.60 -0.98 -0.30 0.00 0.00 0.00 0.00 44.72 44.05 3du3 s GLY 77 CO 0.56 -0.51 1.99 -4.14 0.00 0.00 0.00 173.10 171.00 3du3 s PRO 78 N -2.44 3.91 -0.14 2.90 0.02 -1.26 -4.96 135.00 133.03 3du3 s PRO 78 Ca 0.20 2.42 -0.08 0.00 0.02 0.00 0.00 61.00 63.56 3du3 s PRO 78 Cb -0.04 -4.19 -0.04 0.00 0.02 0.00 0.00 34.50 30.25 3du3 s PRO 78 CO 0.14 -1.21 0.13 -1.21 -0.33 0.00 0.00 177.00 174.52 3du3 s GLU 79 N 4.85 3.60 -0.24 5.54 0.41 -1.26 -5.10 118.70 126.51 3du3 s GLU 79 Ca 0.89 -0.16 -0.12 0.00 -0.41 0.00 0.00 54.97 55.16 3du3 s GLU 79 Cb -0.39 -3.23 0.08 0.00 -1.78 0.00 0.00 34.13 28.81 3du3 s GLU 79 CO 0.39 0.66 0.58 0.45 -0.49 0.00 0.00 175.26 176.84 3du3 s SER 80 N -0.68 -0.78 0.27 -0.19 0.15 -1.26 -5.04 113.70 106.16 3du3 s SER 80 Ca 0.13 1.29 -0.04 0.00 0.70 0.00 0.00 55.95 58.03 3du3 s SER 80 Cb -0.12 1.30 0.35 0.00 -1.71 0.00 0.00 66.02 65.84 3du3 s SER 80 CO 0.02 -0.22 1.93 -0.33 1.20 0.00 0.00 173.24 175.85 3du3 h GLU 81 N 7.24 1.22 -5.75 5.44 4.39 -2.01 -3.47 114.58 121.64 3du3 h GLU 81 Ca -0.30 -0.07 -0.37 0.00 0.34 0.00 0.00 59.36 58.96 3du3 h GLU 81 Cb 1.19 -0.28 0.15 0.00 -0.10 0.00 0.00 28.75 29.72 3du3 h GLU 81 CO 0.19 0.81 -0.72 -0.25 -1.16 0.00 0.00 179.01 177.88 3du3 n ASP 82 N -4.41 -4.31 0.00 1.42 8.00 -1.26 -4.60 116.55 111.40 3du3 n ASP 82 Ca 0.12 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 55.04 3du3 n ASP 82 Cb 0.05 -5.08 0.00 0.00 -0.02 0.00 0.00 41.12 36.06 3du3 n ASP 82 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3du3 n ARG 83 N -4.59 0.00 -2.10 -1.24 1.85 -1.26 -4.92 116.66 104.39 3du3 n ARG 83 Ca -0.13 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.30 3du3 n ARG 83 Cb 0.61 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.99 3du3 n ARG 83 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3du3 s PRO 84 N -1.09 4.30 -0.34 2.89 0.05 -1.26 -5.01 135.00 134.53 3du3 s PRO 84 Ca 0.00 2.17 -0.10 0.00 0.05 0.00 0.00 61.00 63.12 3du3 s PRO 84 Cb 0.00 -3.19 0.01 0.00 0.05 0.00 0.00 34.50 31.37 3du3 s PRO 84 CO 0.00 -0.43 0.18 0.42 0.05 0.00 0.00 177.00 177.22 3du3 s ILE 85 N 0.71 4.60 -1.34 0.56 -1.09 -1.26 -5.02 121.20 118.35 3du3 s ILE 85 Ca 0.63 -0.63 -0.10 0.00 -2.23 0.00 0.00 60.65 58.33 3du3 s ILE 85 Cb -0.39 -3.45 0.12 0.00 -1.58 0.00 0.00 42.46 37.16 3du3 s ILE 85 CO 0.34 -0.08 2.09 0.00 -1.23 0.00 0.00 174.94 176.06 3du3 n ALA 86 N 4.99 5.76 -2.72 9.38 0.00 -1.26 -4.91 120.51 131.76 3du3 n ALA 86 Ca -0.13 -4.15 -0.18 0.00 0.00 0.00 0.00 53.44 48.98 3du3 n ALA 86 Cb 0.48 -3.08 -0.13 0.00 0.00 0.00 0.00 19.45 16.72 3du3 n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3du3 s LEU 87 N 0.00 2.16 -0.00 0.00 1.43 -1.26 -1.71 118.68 119.30 3du3 s LEU 87 Ca 0.45 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 3du3 s LEU 87 Cb 0.12 -0.44 -0.01 0.00 0.03 0.00 0.00 46.19 45.90 3du3 s LEU 87 CO -0.03 -0.02 -0.08 0.00 0.23 0.00 0.00 176.35 176.44 3du3 s ALA 88 N -0.85 0.70 0.55 4.21 0.00 -0.20 -4.91 121.76 121.26 3du3 s ALA 88 Ca -0.01 -0.38 -0.21 0.00 0.00 0.00 0.00 51.96 51.35 3du3 s ALA 88 Cb -0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 3du3 s ALA 88 CO 0.01 0.17 1.25 -2.13 0.00 0.00 0.00 175.76 175.05 3du3 n ARG 89 N 2.80 1.47 0.00 0.00 0.63 -1.26 0.05 116.66 120.36 3du3 n ARG 89 Ca -0.14 0.55 0.03 0.00 -0.92 0.00 0.00 57.85 57.37 3du3 n ARG 89 Cb 0.57 -2.44 -0.00 0.00 0.45 0.00 0.00 32.46 31.03 3du3 n ARG 89 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3du3 n THR 90 N -1.17 0.00 -4.28 5.15 -2.24 -1.21 -4.76 114.28 105.78 3du3 n THR 90 Ca 0.11 -0.44 -0.19 0.00 -2.27 0.00 0.00 64.05 61.26 3du3 n THR 90 Cb 0.45 1.06 -0.08 0.00 -2.10 0.00 0.00 70.33 69.65 3du3 n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3du3 s ALA 91 N -0.97 1.83 -1.39 6.98 0.00 -1.26 -5.06 121.76 121.89 3du3 s ALA 91 Ca 0.04 -2.05 0.19 0.00 0.00 0.00 0.00 51.96 50.14 3du3 s ALA 91 Cb 0.04 1.47 -0.08 0.00 0.00 0.00 0.00 23.12 24.55 3du3 s ALA 91 CO 0.14 -0.66 0.89 1.33 0.00 0.00 0.00 175.76 177.46 3du3 n VAL 92 N -0.60 0.00 -4.37 0.00 0.24 -1.26 -4.94 118.33 107.40 3du3 n VAL 92 Ca 0.07 -0.21 -0.22 0.00 -2.04 0.00 0.00 64.34 61.94 3du3 n VAL 92 Cb 0.63 1.14 -0.11 0.00 -1.47 0.00 0.00 33.84 34.02 3du3 n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3du3 s SER 93 N -2.38 2.91 0.77 -1.34 1.04 -1.26 -5.13 113.70 108.30 3du3 s SER 93 Ca 0.12 -0.91 -0.14 0.00 0.48 0.00 0.00 55.95 55.50 3du3 s SER 93 Cb 0.15 -0.19 0.06 0.00 0.10 0.00 0.00 66.02 66.14 3du3 s SER 93 CO 0.58 -0.02 1.19 -1.61 0.98 0.00 0.00 173.24 174.36 3du3 s GLU 94 N -3.03 1.93 0.00 4.02 0.41 -1.26 -4.25 118.70 116.52 3du3 s GLU 94 Ca 0.20 1.69 0.00 0.00 -0.41 0.00 0.00 54.97 56.45 3du3 s GLU 94 Cb -0.05 -1.82 0.00 0.00 -1.78 0.00 0.00 34.13 30.48 3du3 s GLU 94 CO 0.08 -1.98 0.00 0.41 -0.49 0.00 0.00 175.26 173.28 3du3 n GLY 95 N 0.27 0.83 3.66 -1.39 0.00 -1.26 -5.09 105.19 102.21 3du3 n GLY 95 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3du3 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3du3 s PHE 96 N -2.08 2.77 0.96 1.61 0.40 -1.26 -5.10 117.98 115.28 3du3 s PHE 96 Ca 0.00 -0.18 -0.11 0.00 -0.60 0.00 0.00 56.93 56.04 3du3 s PHE 96 Cb 0.00 -1.28 0.14 0.00 0.51 0.00 0.00 43.02 42.38 3du3 s PHE 96 CO 0.00 0.57 0.94 -2.30 0.70 0.00 0.00 175.22 175.13 3du3 n PRO 97 N -0.54 -0.65 -4.22 0.24 -0.02 -1.26 -4.85 135.00 123.70 3du3 n PRO 97 Ca -0.08 -0.13 -0.33 0.00 -2.02 0.00 0.00 63.50 60.93 3du3 n PRO 97 Cb 0.57 -2.23 -0.16 0.00 -0.02 0.00 0.00 33.50 31.67 3du3 n PRO 97 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3du3 s HIS 98 N -2.55 2.79 0.07 6.00 3.76 -1.26 -3.30 115.29 120.80 3du3 s HIS 98 Ca 0.65 -1.41 -0.23 0.00 -0.15 0.00 0.00 55.06 53.91 3du3 s HIS 98 Cb -0.23 -1.93 -0.06 0.00 1.11 0.00 0.00 32.58 31.47 3du3 s HIS 98 CO 0.61 -0.69 0.71 0.00 -0.85 0.00 0.00 174.74 174.51 3du3 s ALA 99 N 1.19 3.45 0.40 -1.40 0.00 0.11 -4.70 121.76 120.81 3du3 s ALA 99 Ca 0.02 0.22 -0.27 0.00 0.00 0.00 0.00 51.96 51.93 3du3 s ALA 99 Cb -0.14 -2.88 -0.10 0.00 0.00 0.00 0.00 23.12 19.99 3du3 s ALA 99 CO -0.08 0.20 1.45 -2.30 0.00 0.00 0.00 175.76 175.03 3du3 n PRO 100 N 2.29 2.51 0.00 0.00 -0.02 -1.26 -1.04 135.00 137.49 3du3 n PRO 100 Ca -0.05 0.88 0.13 0.00 -2.02 0.00 0.00 63.50 62.44 3du3 n PRO 100 Cb 0.50 -2.63 0.23 0.00 -0.02 0.00 0.00 33.50 31.59 3du3 n PRO 100 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3du3 n THR 101 N 0.24 0.00 0.00 3.45 -2.24 -0.69 -4.86 114.28 110.17 3du3 n THR 101 Ca 0.03 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3du3 n THR 101 Cb 0.39 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 3du3 n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3du3 n GLY 102 N 1.30 4.35 3.44 3.38 0.00 -1.26 -5.08 105.19 111.32 3du3 n GLY 102 Ca 0.15 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 3du3 n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3du3 s ASP 103 N 1.19 5.76 0.31 1.61 -1.08 -1.26 -4.99 116.67 118.21 3du3 s ASP 103 Ca 0.00 -0.68 0.00 0.00 -0.52 0.00 0.00 52.55 51.36 3du3 s ASP 103 Cb 0.00 -2.05 0.53 0.00 -1.46 0.00 0.00 42.92 39.93 3du3 s ASP 103 CO 0.00 -0.28 1.95 1.55 0.52 0.00 0.00 175.17 178.91 3du3 h PRO 104 N 8.43 0.99 0.59 4.34 0.13 -1.95 0.18 132.00 144.72 3du3 h PRO 104 Ca -0.30 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.75 3du3 h PRO 104 Cb 1.13 -0.22 0.01 0.00 0.13 0.00 0.00 31.00 32.05 3du3 h PRO 104 CO 0.65 0.66 -0.28 0.52 -0.23 0.00 0.00 178.00 179.31 3du3 h MET 105 N 1.02 -0.76 -0.59 0.86 2.86 -1.93 0.57 114.93 116.96 3du3 h MET 105 Ca 0.33 0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.97 3du3 h MET 105 Cb 0.03 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3du3 h MET 105 CO -0.10 -0.48 0.15 0.87 1.06 0.00 0.00 176.91 178.42 3du3 h LYS 106 N -0.87 0.92 0.00 1.72 1.57 -1.91 -2.97 116.57 115.03 3du3 h LYS 106 Ca -0.08 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.40 3du3 h LYS 106 Cb 0.64 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 3du3 h LYS 106 CO 0.13 0.81 -0.52 -0.44 -0.57 0.00 0.00 179.45 178.87 3du3 h ASP 107 N 0.88 0.00 -2.34 0.86 3.32 -0.50 -3.48 116.42 115.17 3du3 h ASP 107 Ca 0.19 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 3du3 h ASP 107 Cb 0.30 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.88 3du3 h ASP 107 CO -0.00 0.52 -0.12 0.61 -1.72 0.00 0.00 179.24 178.52 3du3 n GLY 108 N 1.16 0.44 3.57 2.75 0.00 0.20 -4.85 105.19 108.45 3du3 n GLY 108 Ca 0.02 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 3du3 n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3du3 s VAL 109 N -3.06 2.15 0.00 1.61 -7.23 -0.85 -3.82 120.40 109.20 3du3 s VAL 109 Ca 0.03 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 3du3 s VAL 109 Cb -0.01 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 34.16 3du3 s VAL 109 CO 0.12 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 3du3 n GLY 110 N -0.85 1.12 0.00 2.32 0.00 -1.26 -2.47 105.19 104.05 3du3 n GLY 110 Ca -0.05 -0.76 0.03 0.00 0.00 0.00 0.00 46.02 45.25 3du3 n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3du3 n PRO 111 N 9.95 0.01 -0.33 1.61 -0.04 -1.26 -2.25 135.00 142.69 3du3 n PRO 111 Ca 0.00 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 63.93 3du3 n PRO 111 Cb 0.00 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.25 3du3 n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3du3 n ALA 112 N -1.48 2.40 -1.74 0.55 0.00 -1.03 -3.39 120.51 115.82 3du3 n ALA 112 Ca 0.02 -1.14 -0.36 0.00 0.00 0.00 0.00 53.44 51.95 3du3 n ALA 112 Cb 0.08 -0.95 0.05 0.00 0.00 0.00 0.00 19.45 18.63 3du3 n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3du3 s SER 113 N -1.03 4.95 0.06 0.00 0.01 -0.96 -4.00 113.70 112.73 3du3 s SER 113 Ca 0.44 2.48 0.01 0.00 1.31 0.00 0.00 55.95 60.18 3du3 s SER 113 Cb 0.23 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 3du3 s SER 113 CO 0.30 -1.76 -0.05 -1.66 0.41 0.00 0.00 173.24 170.48 3du3 s TRP 114 N -1.53 0.65 -0.08 2.43 1.48 -1.25 -4.49 118.94 116.15 3du3 s TRP 114 Ca 0.79 -0.83 0.00 0.00 -1.06 0.00 0.00 56.10 55.01 3du3 s TRP 114 Cb -0.33 -0.41 -0.03 0.00 -1.16 0.00 0.00 33.47 31.54 3du3 s TRP 114 CO 0.36 -0.21 -0.07 0.08 -4.06 0.00 0.00 176.95 173.05 3du3 s VAL 115 N -2.96 3.71 -1.00 -0.66 1.01 -1.26 -5.02 120.40 114.21 3du3 s VAL 115 Ca 0.02 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.35 3du3 s VAL 115 Cb 0.01 -2.53 -0.09 0.00 0.00 0.00 0.00 36.38 33.77 3du3 s VAL 115 CO -0.05 0.59 2.05 0.00 0.00 0.00 0.00 175.10 177.69 3du3 n ALA 116 N 2.37 4.15 -1.00 5.51 0.00 -1.26 -4.76 120.51 125.51 3du3 n ALA 116 Ca -0.18 -3.40 0.00 0.00 0.00 0.00 0.00 53.44 49.86 3du3 n ALA 116 Cb 0.53 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.42 3du3 n ALA 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3du3 n ARG 117 N 6.48 1.21 -3.20 0.00 1.74 -1.26 -5.00 116.66 116.63 3du3 n ARG 117 Ca 0.51 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 57.20 3du3 n ARG 117 Cb 0.38 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.76 3du3 n ARG 117 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3du3 s ARG 118 N 0.00 4.33 -0.21 5.56 0.52 -1.26 -4.60 118.95 123.30 3du3 s ARG 118 Ca 0.00 0.72 -0.03 0.00 -0.52 0.00 0.00 55.73 55.89 3du3 s ARG 118 Cb 0.00 -3.37 -0.02 0.00 0.52 0.00 0.00 34.95 32.08 3du3 s ARG 118 CO 0.00 0.30 2.76 -3.47 0.02 0.00 0.00 175.30 174.90 3du3 n ASP 119 N 3.00 5.90 -3.94 0.23 -0.08 -1.26 -1.74 116.55 118.67 3du3 n ASP 119 Ca -0.06 -2.82 -0.15 0.00 -1.51 0.00 0.00 54.79 50.25 3du3 n ASP 119 Cb 0.51 -1.24 -0.14 0.00 2.34 0.00 0.00 41.12 42.59 3du3 n ASP 119 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3du3 s LEU 120 N -1.06 2.02 0.55 -2.67 1.43 -1.26 -4.97 118.68 112.72 3du3 s LEU 120 Ca 0.46 -0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 53.28 3du3 s LEU 120 Cb 0.27 -0.20 -0.05 0.00 0.03 0.00 0.00 46.19 46.24 3du3 s LEU 120 CO -0.07 0.03 1.10 -2.16 0.23 0.00 0.00 176.35 175.48 3du3 s PRO 121 N -0.17 3.36 0.22 1.29 0.05 -1.26 -2.56 135.00 135.94 3du3 s PRO 121 Ca 0.01 1.49 -0.30 0.00 0.05 0.00 0.00 61.00 62.24 3du3 s PRO 121 Cb -0.02 -2.02 -0.09 0.00 0.05 0.00 0.00 34.50 32.42 3du3 s PRO 121 CO -0.00 -0.81 1.31 -2.00 0.05 0.00 0.00 177.00 175.55 3du3 s GLU 122 N -3.47 4.38 0.09 4.56 2.12 -1.26 -4.91 118.70 120.21 3du3 s GLU 122 Ca 0.70 2.09 0.04 0.00 0.36 0.00 0.00 54.97 58.15 3du3 s GLU 122 Cb -0.21 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 3du3 s GLU 122 CO 0.29 -0.25 0.05 -0.51 -0.54 0.00 0.00 175.26 174.30 3du3 s LEU 123 N -0.35 3.67 0.94 2.70 1.43 -1.26 -0.09 118.68 125.71 3du3 s LEU 123 Ca 0.56 -0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 53.43 3du3 s LEU 123 Cb -0.37 -2.37 0.16 0.00 0.03 0.00 0.00 46.19 43.65 3du3 s LEU 123 CO 0.40 0.17 1.22 1.51 0.23 0.00 0.00 176.35 179.88 3du3 s ASP 124 N -2.37 3.33 0.61 2.29 1.47 0.19 -4.70 116.67 117.48 3du3 s ASP 124 Ca 0.28 0.60 0.24 0.00 1.18 0.00 0.00 52.55 54.85 3du3 s ASP 124 Cb -0.12 -0.90 1.31 0.00 -0.34 0.00 0.00 42.92 42.86 3du3 s ASP 124 CO 0.21 -2.63 1.72 1.23 0.68 0.00 0.00 175.17 176.37 3du3 h GLY 125 N -1.56 0.00 0.13 2.12 0.00 -2.00 -0.14 103.07 101.62 3du3 h GLY 125 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3du3 h GLY 125 CO 0.50 0.00 -1.72 1.42 0.00 0.00 0.00 176.54 176.74 3du3 n HIS 126 N -2.70 0.11 0.00 5.60 8.25 -1.26 -4.97 115.22 120.24 3du3 n HIS 126 Ca -0.02 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3du3 n HIS 126 Cb 0.43 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 31.07 3du3 n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3du3 n GLY 127 N 1.29 1.11 3.90 -1.41 0.00 -0.06 -5.11 105.19 104.90 3du3 n GLY 127 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3du3 n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3du3 s HIS 128 N -2.00 3.47 -0.12 1.61 3.76 -1.26 -4.80 115.29 115.95 3du3 s HIS 128 Ca 0.00 0.59 -0.36 0.00 -0.15 0.00 0.00 55.06 55.14 3du3 s HIS 128 Cb 0.00 -2.04 -0.13 0.00 1.11 0.00 0.00 32.58 31.52 3du3 s HIS 128 CO 0.00 0.35 1.81 0.09 -0.85 0.00 0.00 174.74 176.14 3du3 n ASN 129 N -0.26 3.11 -0.20 1.40 4.13 -1.26 0.56 115.26 122.74 3du3 n ASN 129 Ca -0.02 1.01 -0.02 0.00 1.68 0.00 0.00 54.58 57.23 3du3 n ASN 129 Cb 0.53 -1.31 0.08 0.00 -1.54 0.00 0.00 39.78 37.54 3du3 n ASN 129 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 3du3 h LYS 130 N 8.37 0.51 -5.44 3.52 3.64 -0.78 -3.42 116.57 122.97 3du3 h LYS 130 Ca -0.48 -0.03 -0.65 0.00 -1.27 0.00 0.00 60.65 58.22 3du3 h LYS 130 Cb 1.28 -0.11 -0.23 0.00 -0.41 0.00 0.00 32.23 32.76 3du3 h LYS 130 CO 0.94 0.34 -0.70 0.42 -2.27 0.00 0.00 179.45 178.18 3du3 s ILE 131 N -6.11 3.62 0.01 2.00 1.01 -1.26 -1.74 121.20 118.73 3du3 s ILE 131 Ca -0.13 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.07 3du3 s ILE 131 Cb 0.15 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 3du3 s ILE 131 CO 0.74 0.52 -0.03 -0.54 0.00 0.00 0.00 174.94 175.63 3du3 s LYS 132 N 0.17 0.28 0.40 2.79 1.02 -0.41 -4.76 119.74 119.22 3du3 s LYS 132 Ca -0.04 -0.35 -0.27 0.00 0.02 0.00 0.00 55.97 55.34 3du3 s LYS 132 Cb -0.14 -0.12 -0.10 0.00 -0.52 0.00 0.00 37.83 36.95 3du3 s LYS 132 CO 0.03 0.02 1.44 -1.25 -0.92 0.00 0.00 175.35 174.68 3du3 s PRO 133 N -0.71 3.99 0.60 -1.68 0.05 -1.26 -1.58 135.00 134.41 3du3 s PRO 133 Ca -0.06 2.46 0.32 0.00 0.05 0.00 0.00 61.00 63.78 3du3 s PRO 133 Cb -0.05 -2.87 1.92 0.00 0.05 0.00 0.00 34.50 33.55 3du3 s PRO 133 CO -0.00 -0.58 2.27 1.98 0.05 0.00 0.00 177.00 180.71 3du3 h MET 134 N 2.81 0.00 0.00 4.56 4.05 -0.55 -1.35 114.93 124.44 3du3 h MET 134 Ca -0.51 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 58.89 3du3 h MET 134 Cb 1.25 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.04 3du3 h MET 134 CO 0.63 0.01 -0.12 1.57 0.23 0.00 0.00 176.91 179.23 3du3 h LYS 135 N 0.00 0.00 -0.08 0.39 2.10 -1.89 -2.69 116.57 114.40 3du3 h LYS 135 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3du3 h LYS 135 Cb 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 3du3 h LYS 135 CO 0.00 0.12 0.00 0.00 -2.00 0.00 0.00 179.45 177.57 3du3 n ALA 136 N -2.22 2.45 -3.30 0.07 0.00 -0.53 -4.76 120.51 112.22 3du3 n ALA 136 Ca -0.01 -0.69 -0.47 0.00 0.00 0.00 0.00 53.44 52.27 3du3 n ALA 136 Cb 0.29 -0.54 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 3du3 n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3du3 s ALA 137 N -1.26 3.97 -0.19 0.00 0.00 -1.01 -4.98 121.76 118.29 3du3 s ALA 137 Ca 0.20 -3.15 -0.33 0.00 0.00 0.00 0.00 51.96 48.68 3du3 s ALA 137 Cb 0.13 -3.51 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 3du3 s ALA 137 CO 0.20 -2.28 2.06 0.00 0.00 0.00 0.00 175.76 175.74 3du3 n ALA 138 N 4.35 1.19 -0.21 0.00 0.00 -1.26 -2.44 120.51 122.14 3du3 n ALA 138 Ca 0.10 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3du3 n ALA 138 Cb 0.46 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.28 3du3 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3du3 n GLY 139 N 5.34 0.62 3.79 0.00 0.00 -1.26 -5.08 105.19 108.61 3du3 n GLY 139 Ca 0.29 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.92 3du3 n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3du3 s PHE 140 N -2.44 3.86 0.12 1.61 0.40 -1.02 -5.06 117.98 115.45 3du3 s PHE 140 Ca 0.00 1.47 -0.15 0.00 -0.60 0.00 0.00 56.93 57.65 3du3 s PHE 140 Cb 0.00 -2.65 0.03 0.00 0.51 0.00 0.00 43.02 40.91 3du3 s PHE 140 CO 0.00 0.54 0.37 -3.38 0.70 0.00 0.00 175.22 173.45 3du3 s HIS 141 N -1.14 -0.14 -0.09 0.36 -3.43 -1.26 -5.01 115.29 104.58 3du3 s HIS 141 Ca 0.33 -0.20 -0.30 0.00 -0.80 0.00 0.00 55.06 54.09 3du3 s HIS 141 Cb -0.21 0.21 -0.03 0.00 -1.43 0.00 0.00 32.58 31.11 3du3 s HIS 141 CO 0.23 -0.68 1.38 0.08 -2.00 0.00 0.00 174.74 173.75 3du3 s VAL 142 N -3.82 3.99 -0.14 -5.38 1.01 -1.26 -4.89 120.40 109.91 3du3 s VAL 142 Ca 0.04 1.25 0.18 0.00 0.00 0.00 0.00 61.98 63.45 3du3 s VAL 142 Cb 0.02 -3.81 -0.27 0.00 0.00 0.00 0.00 36.38 32.33 3du3 s VAL 142 CO -0.12 -0.08 0.19 -1.54 0.00 0.00 0.00 175.10 173.56 3du3 n SER 143 N 6.31 0.23 -3.62 3.32 3.41 -1.26 -5.03 113.62 116.98 3du3 n SER 143 Ca 0.14 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.61 3du3 n SER 143 Cb 0.44 1.29 -0.06 0.00 -0.26 0.00 0.00 64.21 65.61 3du3 n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3du3 s ALA 144 N -2.78 -1.24 0.00 7.33 0.00 -1.26 -5.13 121.76 118.68 3du3 s ALA 144 Ca -0.09 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.51 3du3 s ALA 144 Cb 0.08 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.42 3du3 s ALA 144 CO 0.82 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.58 3du3 n GLY 145 N 0.74 -2.26 3.70 0.00 0.00 -1.26 -4.86 105.19 101.25 3du3 n GLY 145 Ca -0.19 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 3du3 n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3du3 s LYS 146 N -0.37 4.42 -0.34 1.61 2.47 -1.26 -5.01 119.74 121.27 3du3 s LYS 146 Ca 0.00 1.66 -0.29 0.00 -1.56 0.00 0.00 55.97 55.78 3du3 s LYS 146 Cb 0.00 -3.45 0.01 0.00 -1.46 0.00 0.00 37.83 32.93 3du3 s LYS 146 CO 0.00 -0.29 1.20 1.21 0.16 0.00 0.00 175.35 177.63 3du3 s ASN 147 N 1.20 6.75 0.22 1.43 3.84 -1.26 -4.96 114.94 122.16 3du3 s ASN 147 Ca 0.56 1.03 -0.05 0.00 0.21 0.00 0.00 52.86 54.61 3du3 s ASN 147 Cb -0.26 -2.54 0.20 0.00 -0.55 0.00 0.00 41.25 38.10 3du3 s ASN 147 CO 0.26 -1.05 1.67 1.55 -2.79 0.00 0.00 177.10 176.74 3du3 h PRO 148 N 8.91 0.85 -5.92 0.43 0.13 -1.95 -3.46 132.00 131.00 3du3 h PRO 148 Ca -0.24 -0.29 -0.66 0.00 -0.87 0.00 0.00 66.00 63.95 3du3 h PRO 148 Cb 1.08 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 3du3 h PRO 148 CO 1.05 0.92 1.44 -0.89 -0.23 0.00 0.00 178.00 180.29 3du3 n ILE 149 N -4.16 0.15 0.00 -3.56 5.41 -1.26 -0.99 119.36 114.95 3du3 n ILE 149 Ca 0.02 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.50 3du3 n ILE 149 Cb 0.37 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 3du3 n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3du3 n GLY 150 N 6.57 1.34 3.79 7.39 0.00 0.17 -4.97 105.19 119.48 3du3 n GLY 150 Ca 0.43 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.07 3du3 n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3du3 s LEU 151 N 0.00 4.48 0.38 0.99 1.43 -0.16 -4.80 118.68 121.00 3du3 s LEU 151 Ca 0.00 1.55 -0.27 0.00 -1.03 0.00 0.00 54.13 54.38 3du3 s LEU 151 Cb 0.00 -3.43 -0.09 0.00 0.03 0.00 0.00 46.19 42.70 3du3 s LEU 151 CO 0.00 0.13 1.28 -2.16 0.23 0.00 0.00 176.35 175.83 3du3 s PRO 152 N -1.52 4.11 -0.24 1.29 0.04 -1.26 -1.47 135.00 135.94 3du3 s PRO 152 Ca 0.39 2.13 -0.08 0.00 0.04 0.00 0.00 61.00 63.48 3du3 s PRO 152 Cb -0.20 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 3du3 s PRO 152 CO 0.24 -0.37 0.10 0.08 0.04 0.00 0.00 177.00 177.09 3du3 s VAL 153 N -1.24 4.68 -0.15 -0.36 1.01 0.84 -1.85 120.40 123.34 3du3 s VAL 153 Ca 0.54 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.41 3du3 s VAL 153 Cb -0.38 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3du3 s VAL 153 CO 0.49 0.34 0.06 -0.60 0.00 0.00 0.00 175.10 175.39 3du3 s ARG 154 N 1.42 3.68 0.48 2.72 3.52 0.10 0.74 118.95 131.61 3du3 s ARG 154 Ca 0.06 -0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.35 3du3 s ARG 154 Cb -0.15 -3.13 0.01 0.00 -1.56 0.00 0.00 34.95 30.12 3du3 s ARG 154 CO 0.05 0.45 0.70 0.20 -0.81 0.00 0.00 175.30 175.89 3du3 s GLY 155 N -0.14 1.66 0.63 8.12 0.00 -0.65 -0.11 107.32 116.83 3du3 s GLY 155 Ca 0.07 -1.17 0.34 0.00 0.00 0.00 0.00 44.72 43.96 3du3 s GLY 155 CO 0.01 -0.96 2.11 0.00 0.00 0.00 0.00 173.10 174.26 3du3 n ASP 157 N -3.32 0.56 -2.17 0.00 5.75 -1.25 -2.86 116.55 113.26 3du3 n ASP 157 Ca -0.01 -1.90 -0.18 0.00 -0.01 0.00 0.00 54.79 52.69 3du3 n ASP 157 Cb 0.28 -0.06 -0.00 0.00 -1.03 0.00 0.00 41.12 40.31 3du3 n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3du3 n LEU 158 N -0.24 -1.94 -4.43 -2.12 4.77 0.15 -4.96 117.00 108.24 3du3 n LEU 158 Ca 0.06 -0.05 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 3du3 n LEU 158 Cb 0.10 -2.64 -0.13 0.00 -2.33 0.00 0.00 43.42 38.42 3du3 n LEU 158 CO 0.04 -0.14 -0.52 -1.61 -1.33 0.00 0.00 177.39 173.84 3du3 s GLU 159 N -5.00 1.92 0.09 3.23 0.41 -1.24 -4.91 118.70 113.20 3du3 s GLU 159 Ca 0.04 -1.06 -0.30 0.00 -0.41 0.00 0.00 54.97 53.23 3du3 s GLU 159 Cb -0.02 -2.10 -0.06 0.00 -1.78 0.00 0.00 34.13 30.17 3du3 s GLU 159 CO 0.05 0.52 1.17 0.42 -0.49 0.00 0.00 175.26 176.92 3du3 s ILE 160 N -0.93 4.02 -0.05 -1.63 -1.09 -1.26 -1.63 121.20 118.63 3du3 s ILE 160 Ca 0.14 1.51 0.11 0.00 -2.23 0.00 0.00 60.65 60.18 3du3 s ILE 160 Cb -0.10 -3.97 -0.16 0.00 -1.58 0.00 0.00 42.46 36.65 3du3 s ILE 160 CO 0.05 0.15 0.17 0.00 -1.23 0.00 0.00 174.94 174.09 3du3 n ALA 161 N 3.53 2.18 0.00 9.38 0.00 0.23 -4.96 120.51 130.87 3du3 n ALA 161 Ca 0.07 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3du3 n ALA 161 Cb 0.46 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3du3 n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3du3 n GLY 162 N 2.03 -0.54 2.94 0.00 0.00 -1.10 -4.02 105.19 104.50 3du3 n GLY 162 Ca -0.07 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 3du3 n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3du3 s LYS 163 N -0.64 0.26 -0.14 1.61 -2.85 0.08 0.29 119.74 118.34 3du3 s LYS 163 Ca 0.00 -0.22 -0.29 0.00 -1.00 0.00 0.00 55.97 54.46 3du3 s LYS 163 Cb 0.00 -0.18 -0.02 0.00 -2.06 0.00 0.00 37.83 35.57 3du3 s LYS 163 CO 0.00 0.05 1.21 0.08 0.10 0.00 0.00 175.35 176.79 3du3 s VAL 164 N -0.34 4.34 0.00 1.79 1.01 -0.54 0.13 120.40 126.78 3du3 s VAL 164 Ca -0.02 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.59 3du3 s VAL 164 Cb -0.03 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3du3 s VAL 164 CO -0.00 -0.10 0.79 1.33 0.00 0.00 0.00 175.10 177.12 3du3 n VAL 165 N 5.14 0.59 0.00 2.92 0.24 -0.56 0.45 118.33 127.12 3du3 n VAL 165 Ca 0.13 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 3du3 n VAL 165 Cb 0.45 0.72 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 3du3 n VAL 165 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3du3 n ASP 166 N -0.30 0.00 -4.15 -1.34 2.03 -1.22 -4.98 116.55 106.59 3du3 n ASP 166 Ca 0.00 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.01 3du3 n ASP 166 Cb 0.17 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.40 3du3 n ASP 166 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3du3 s ILE 167 N -2.00 1.78 -0.32 5.18 1.01 -1.26 -1.31 121.20 124.27 3du3 s ILE 167 Ca 0.00 -0.84 -0.17 0.00 0.00 0.00 0.00 60.65 59.64 3du3 s ILE 167 Cb 0.00 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 3du3 s ILE 167 CO 0.00 0.50 0.46 0.26 0.00 0.00 0.00 174.94 176.16 3du3 s TRP 168 N 0.58 3.21 0.04 3.97 0.52 0.11 0.26 118.94 127.62 3du3 s TRP 168 Ca -0.14 0.25 0.05 0.00 0.02 0.00 0.00 56.10 56.28 3du3 s TRP 168 Cb -0.17 -2.79 -0.03 0.00 -1.15 0.00 0.00 33.47 29.33 3du3 s TRP 168 CO 0.05 -0.43 -0.11 0.08 0.02 0.00 0.00 176.95 176.56 3du3 s VAL 169 N 2.26 3.33 -0.35 4.03 1.01 -0.61 -0.84 120.40 129.23 3du3 s VAL 169 Ca 0.17 -1.00 -0.23 0.00 0.00 0.00 0.00 61.98 60.92 3du3 s VAL 169 Cb -0.16 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.77 3du3 s VAL 169 CO 0.12 0.32 0.78 -0.62 0.00 0.00 0.00 175.10 175.69 3du3 s ASP 170 N -1.60 6.57 -0.01 3.32 -1.08 0.33 -1.29 116.67 122.91 3du3 s ASP 170 Ca 0.17 0.42 -0.23 0.00 -0.52 0.00 0.00 52.55 52.40 3du3 s ASP 170 Cb -0.11 -2.40 -0.15 0.00 -1.46 0.00 0.00 42.92 38.80 3du3 s ASP 170 CO 0.08 -0.70 1.05 0.40 0.52 0.00 0.00 175.17 176.52 3du3 h ILE 171 N 5.72 0.60 0.00 4.11 1.08 -1.64 0.18 117.51 127.56 3du3 h ILE 171 Ca -0.25 -0.72 -0.00 0.00 -0.39 0.00 0.00 64.86 63.50 3du3 h ILE 171 Cb 1.09 0.92 -0.00 0.00 -3.07 0.00 0.00 36.82 35.76 3du3 h ILE 171 CO 0.90 0.12 -0.01 1.55 -0.69 0.00 0.00 178.15 180.02 3du3 h PRO 172 N -0.87 0.00 0.00 2.37 0.14 -1.95 -2.54 132.00 129.14 3du3 h PRO 172 Ca -0.04 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.10 3du3 h PRO 172 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.66 3du3 h PRO 172 CO 0.07 0.01 -1.03 0.39 0.14 0.00 0.00 178.00 177.58 3du3 n GLU 173 N -3.61 1.75 -3.52 0.86 1.02 -1.22 -5.00 120.64 110.91 3du3 n GLU 173 Ca -0.03 -0.05 -0.22 0.00 -0.02 0.00 0.00 57.16 56.84 3du3 n GLU 173 Cb 0.10 -1.20 0.05 0.00 -0.02 0.00 0.00 31.44 30.37 3du3 n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3du3 n GLN 174 N -1.58 -2.76 -4.54 3.49 6.02 0.61 -4.99 117.38 113.61 3du3 n GLN 174 Ca 0.00 0.66 -0.23 0.00 -0.01 0.00 0.00 57.00 57.42 3du3 n GLN 174 Cb 0.26 -5.08 -0.16 0.00 1.02 0.00 0.00 30.24 26.28 3du3 n GLN 174 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3du3 s MET 175 N -5.38 1.47 -0.32 -1.09 1.75 -1.01 -4.95 119.30 109.76 3du3 s MET 175 Ca 0.33 -0.39 -0.29 0.00 -1.25 0.00 0.00 55.69 54.09 3du3 s MET 175 Cb -0.08 -1.26 -0.00 0.00 2.84 0.00 0.00 34.83 36.33 3du3 s MET 175 CO 0.80 0.07 1.43 0.00 -0.65 0.00 0.00 175.02 176.67 3du3 s ALA 176 N 0.48 3.21 -0.26 4.11 0.00 -1.26 0.12 121.76 128.17 3du3 s ALA 176 Ca -0.10 0.11 -0.01 0.00 0.00 0.00 0.00 51.96 51.95 3du3 s ALA 176 Cb -0.13 -3.86 -0.17 0.00 0.00 0.00 0.00 23.12 18.96 3du3 s ALA 176 CO 0.02 -2.06 -0.22 0.54 0.00 0.00 0.00 175.76 174.04 3du3 n ARG 177 N 7.70 0.65 -3.89 0.00 1.74 -0.02 -4.77 116.66 118.07 3du3 n ARG 177 Ca 0.17 0.18 -0.10 0.00 -0.77 0.00 0.00 57.85 57.32 3du3 n ARG 177 Cb 0.47 -1.53 -0.10 0.00 -1.02 0.00 0.00 32.46 30.29 3du3 n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3du3 s PHE 178 N -2.52 0.10 -0.23 -1.55 0.40 -0.97 0.03 117.98 113.25 3du3 s PHE 178 Ca -0.35 -0.29 -0.10 0.00 -0.60 0.00 0.00 56.93 55.59 3du3 s PHE 178 Cb 0.10 -0.08 -0.05 0.00 0.51 0.00 0.00 43.02 43.50 3du3 s PHE 178 CO 0.59 -0.33 0.14 -0.51 0.70 0.00 0.00 175.22 175.81 3du3 s LEU 179 N -1.73 4.05 -0.16 -0.37 1.43 -0.42 0.06 118.68 121.55 3du3 s LEU 179 Ca -0.10 0.11 -0.24 0.00 -1.03 0.00 0.00 54.13 52.86 3du3 s LEU 179 Cb -0.05 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 3du3 s LEU 179 CO -0.01 0.09 0.79 -0.70 0.23 0.00 0.00 176.35 176.75 3du3 s GLU 180 N 0.90 4.31 -0.06 1.70 2.12 -0.43 -1.19 118.70 126.06 3du3 s GLU 180 Ca 0.07 0.95 0.05 0.00 0.36 0.00 0.00 54.97 56.40 3du3 s GLU 180 Cb -0.13 -3.56 -0.02 0.00 0.26 0.00 0.00 34.13 30.69 3du3 s GLU 180 CO 0.03 -0.26 -0.20 0.08 -0.54 0.00 0.00 175.26 174.38 3du3 s VAL 181 N 1.91 2.55 -0.31 3.70 1.01 0.11 -1.50 120.40 127.88 3du3 s VAL 181 Ca 0.37 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 3du3 s VAL 181 Cb -0.17 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 3du3 s VAL 181 CO 0.13 0.57 0.19 -0.70 0.00 0.00 0.00 175.10 175.29 3du3 s GLU 182 N -0.36 3.60 0.86 2.72 2.12 0.35 -0.67 118.70 127.32 3du3 s GLU 182 Ca 0.03 -0.55 -0.11 0.00 0.36 0.00 0.00 54.97 54.70 3du3 s GLU 182 Cb -0.12 -3.65 0.16 0.00 0.26 0.00 0.00 34.13 30.77 3du3 s GLU 182 CO 0.02 -0.34 1.20 -0.51 -0.54 0.00 0.00 175.26 175.09 3du3 s LEU 183 N 1.69 2.77 0.56 2.70 1.43 -0.73 -0.74 118.68 126.36 3du3 s LEU 183 Ca 0.06 0.19 0.27 0.00 -1.03 0.00 0.00 54.13 53.62 3du3 s LEU 183 Cb -0.17 -2.42 1.63 0.00 0.03 0.00 0.00 46.19 45.27 3du3 s LEU 183 CO 0.09 -2.32 2.18 0.50 0.23 0.00 0.00 176.35 177.03 3du3 h LYS 184 N -1.20 0.00 -0.02 1.70 3.64 -1.87 -2.70 116.57 116.12 3du3 h LYS 184 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3du3 h LYS 184 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3du3 h LYS 184 CO 0.44 0.05 -0.20 -0.40 -2.27 0.00 0.00 179.45 177.07 3du3 n ASP 185 N -3.85 2.09 0.00 4.20 5.68 -1.26 -4.97 116.55 118.44 3du3 n ASP 185 Ca -0.03 -1.57 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 3du3 n ASP 185 Cb 0.14 0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 3du3 n ASP 185 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3du3 n GLY 186 N 1.34 0.42 3.81 6.12 0.00 -1.02 -5.07 105.19 110.80 3du3 n GLY 186 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3du3 n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3du3 s SER 187 N -2.27 6.80 0.33 1.61 1.04 -1.26 -4.81 113.70 115.14 3du3 s SER 187 Ca 0.00 1.75 0.08 0.00 0.48 0.00 0.00 55.95 58.26 3du3 s SER 187 Cb 0.00 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 3du3 s SER 187 CO 0.00 -0.46 0.17 0.42 0.98 0.00 0.00 173.24 174.35 3du3 s THR 188 N -2.13 3.20 0.04 2.02 -4.23 -1.26 -1.77 115.64 111.51 3du3 s THR 188 Ca 0.63 -1.63 -0.01 0.00 -1.18 0.00 0.00 61.69 59.50 3du3 s THR 188 Cb -0.11 -3.03 -0.03 0.00 1.34 0.00 0.00 72.50 70.67 3du3 s THR 188 CO 0.15 -0.20 -0.03 -0.13 -0.54 0.00 0.00 174.62 173.87 3du3 s ARG 189 N -3.87 0.52 -0.03 3.99 1.81 0.15 -4.93 118.95 116.59 3du3 s ARG 189 Ca 0.38 -1.01 -0.12 0.00 -1.72 0.00 0.00 55.73 53.25 3du3 s ARG 189 Cb -0.04 0.18 -0.05 0.00 -0.45 0.00 0.00 34.95 34.59 3du3 s ARG 189 CO 0.23 -0.09 0.32 -0.51 -0.68 0.00 0.00 175.30 174.57 3du3 s LEU 190 N -2.44 4.44 -0.15 2.53 1.43 -1.26 -0.71 118.68 122.52 3du3 s LEU 190 Ca -0.01 0.80 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 3du3 s LEU 190 Cb 0.02 -2.44 0.02 0.00 0.03 0.00 0.00 46.19 43.82 3du3 s LEU 190 CO -0.07 0.35 -0.16 -0.76 0.23 0.00 0.00 176.35 175.93 3du3 s LEU 191 N -1.10 1.83 0.38 1.79 1.43 -0.33 -4.98 118.68 117.70 3du3 s LEU 191 Ca 0.21 -0.53 -0.28 0.00 -1.03 0.00 0.00 54.13 52.51 3du3 s LEU 191 Cb -0.15 -1.26 -0.11 0.00 0.03 0.00 0.00 46.19 44.70 3du3 s LEU 191 CO 0.11 -0.02 1.48 -0.81 0.23 0.00 0.00 176.35 177.34 3du3 n PRO 192 N 4.61 2.63 0.03 1.29 -0.04 -1.26 -1.30 135.00 140.96 3du3 n PRO 192 Ca -0.18 0.92 0.07 0.00 -0.04 0.00 0.00 63.50 64.27 3du3 n PRO 192 Cb 0.50 -2.66 0.32 0.00 -0.04 0.00 0.00 33.50 31.62 3du3 n PRO 192 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 3du3 n MET 193 N 0.38 0.05 0.00 0.54 1.56 0.10 -2.65 117.12 117.10 3du3 n MET 193 Ca 0.02 0.33 0.11 0.00 -0.27 0.00 0.00 57.70 57.89 3du3 n MET 193 Cb 0.39 -1.59 0.06 0.00 2.15 0.00 0.00 33.22 34.22 3du3 n MET 193 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 3du3 n GLN 194 N -1.68 0.86 -0.16 2.12 1.13 -1.26 -4.10 117.38 114.29 3du3 n GLN 194 Ca 0.03 -0.68 0.08 0.00 -1.94 0.00 0.00 57.00 54.48 3du3 n GLN 194 Cb 0.15 -1.49 0.15 0.00 0.11 0.00 0.00 30.24 29.17 3du3 n GLN 194 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3du3 n MET 195 N -0.48 2.11 -4.31 -1.09 2.81 -1.09 -5.00 117.12 110.08 3du3 n MET 195 Ca 0.09 -2.43 -0.18 0.00 -1.81 0.00 0.00 57.70 53.36 3du3 n MET 195 Cb 0.42 -1.49 -0.14 0.00 -0.71 0.00 0.00 33.22 31.30 3du3 n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3du3 s VAL 196 N -2.41 0.81 -0.31 2.03 -7.23 -1.25 -4.42 120.40 107.62 3du3 s VAL 196 Ca 0.29 -0.69 -0.08 0.00 -1.81 0.00 0.00 61.98 59.69 3du3 s VAL 196 Cb 0.24 -0.73 0.01 0.00 0.56 0.00 0.00 36.38 36.46 3du3 s VAL 196 CO 0.05 0.05 0.11 -0.75 -0.31 0.00 0.00 175.10 174.25 3du3 s LYS 197 N -0.72 3.08 -0.48 4.82 2.20 -0.29 -4.99 119.74 123.36 3du3 s LYS 197 Ca 0.01 -0.87 -0.26 0.00 -0.36 0.00 0.00 55.97 54.48 3du3 s LYS 197 Cb -0.06 -3.46 0.03 0.00 -1.51 0.00 0.00 37.83 32.83 3du3 s LYS 197 CO 0.00 -0.48 0.99 0.08 -0.36 0.00 0.00 175.35 175.59 3du3 s VAL 198 N 1.52 4.38 0.44 4.02 1.01 -1.26 -1.62 120.40 128.89 3du3 s VAL 198 Ca 0.03 0.85 0.07 0.00 0.00 0.00 0.00 61.98 62.93 3du3 s VAL 198 Cb -0.18 -4.50 0.07 0.00 0.00 0.00 0.00 36.38 31.78 3du3 s VAL 198 CO 0.04 -0.92 0.60 0.00 0.00 0.00 0.00 175.10 174.81 3du3 n GLN 199 N 7.42 0.71 0.04 2.72 6.02 -0.48 -5.05 117.38 128.77 3du3 n GLN 199 Ca 0.08 -2.35 -0.10 0.00 -0.01 0.00 0.00 57.00 54.61 3du3 n GLN 199 Cb 0.49 -0.17 -0.13 0.00 1.02 0.00 0.00 30.24 31.45 3du3 n GLN 199 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3du3 h SER 200 N 0.08 0.10 0.00 1.08 4.64 -2.01 -3.37 113.55 114.08 3du3 h SER 200 Ca -0.21 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3du3 h SER 200 Cb 0.94 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3du3 h SER 200 CO 0.29 1.11 0.00 -0.46 -0.87 0.00 0.00 176.83 176.91 3du3 n ASN 201 N -3.31 1.66 -3.62 4.97 0.23 -1.26 -5.09 115.26 108.85 3du3 n ASN 201 Ca -0.08 -1.82 -0.03 0.00 -0.53 0.00 0.00 54.58 52.12 3du3 n ASN 201 Cb 0.99 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.67 3du3 n ASN 201 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3du3 s ARG 202 N -0.82 0.17 -0.18 -3.83 1.70 -1.26 -4.64 118.95 110.09 3du3 s ARG 202 Ca 0.00 -0.06 -0.02 0.00 -0.47 0.00 0.00 55.73 55.17 3du3 s ARG 202 Cb 0.00 0.08 -0.01 0.00 -0.57 0.00 0.00 34.95 34.44 3du3 s ARG 202 CO 0.00 -0.07 -0.08 0.08 -1.08 0.00 0.00 175.30 174.15 3du3 s VAL 203 N -2.22 3.27 -0.17 4.99 1.01 -0.77 -1.39 120.40 125.12 3du3 s VAL 203 Ca 0.11 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 3du3 s VAL 203 Cb -0.01 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3du3 s VAL 203 CO -0.03 0.48 0.00 -2.28 0.00 0.00 0.00 175.10 173.26 3du3 s HIS 204 N 0.89 3.10 -0.30 5.22 2.46 -0.64 0.01 115.29 126.03 3du3 s HIS 204 Ca -0.02 -0.21 -0.01 0.00 0.47 0.00 0.00 55.06 55.29 3du3 s HIS 204 Cb -0.15 -2.02 0.06 0.00 -0.13 0.00 0.00 32.58 30.34 3du3 s HIS 204 CO 0.01 -0.02 -0.01 0.08 -2.47 0.00 0.00 174.74 172.33 3du3 s VAL 205 N 0.50 2.85 0.17 0.89 1.01 0.84 -1.14 120.40 125.52 3du3 s VAL 205 Ca -0.01 -1.50 0.02 0.00 0.00 0.00 0.00 61.98 60.49 3du3 s VAL 205 Cb -0.14 -2.68 -0.14 0.00 0.00 0.00 0.00 36.38 33.43 3du3 s VAL 205 CO 0.02 -0.14 1.40 -1.13 0.00 0.00 0.00 175.10 175.24 3du3 h ASN 206 N 7.95 0.28 -0.36 3.32 -0.00 -1.85 -1.60 115.58 123.33 3du3 h ASN 206 Ca -0.20 -0.22 -0.14 0.00 -0.00 0.00 0.00 56.30 55.74 3du3 h ASN 206 Cb 1.06 -0.09 -0.01 0.00 -0.00 0.00 0.00 38.32 39.28 3du3 h ASN 206 CO 0.53 1.00 -0.33 0.00 -0.00 0.00 0.00 177.43 178.62 3du3 h ALA 207 N 0.99 0.53 -4.12 1.57 0.00 -1.87 -3.41 119.26 112.95 3du3 h ALA 207 Ca -0.04 -0.43 -0.69 0.00 0.00 0.00 0.00 54.91 53.75 3du3 h ALA 207 Cb 1.45 -0.11 -0.24 0.00 0.00 0.00 0.00 17.79 18.88 3du3 h ALA 207 CO 0.13 0.59 -0.80 -0.51 0.00 0.00 0.00 179.25 178.66 3du3 s LEU 208 N -8.94 2.58 0.38 0.00 1.43 -1.26 -3.61 118.68 109.27 3du3 s LEU 208 Ca -0.12 -0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 52.59 3du3 s LEU 208 Cb 0.10 -1.51 -0.06 0.00 0.03 0.00 0.00 46.19 44.75 3du3 s LEU 208 CO 0.86 0.32 0.72 -0.94 0.23 0.00 0.00 176.35 177.54 3du3 s SER 209 N -0.90 6.50 0.32 2.29 1.04 -1.26 -1.20 113.70 120.48 3du3 s SER 209 Ca 0.12 1.03 0.09 0.00 0.48 0.00 0.00 55.95 57.68 3du3 s SER 209 Cb -0.10 -2.28 0.90 0.00 0.10 0.00 0.00 66.02 64.63 3du3 s SER 209 CO 0.02 -0.35 1.71 0.77 0.98 0.00 0.00 173.24 176.36 3du3 h SER 210 N 1.34 0.58 0.07 7.02 4.64 -1.87 -0.59 113.55 124.73 3du3 h SER 210 Ca -0.47 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3du3 h SER 210 Cb 1.19 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3du3 h SER 210 CO 0.64 0.03 0.00 -0.90 -0.87 0.00 0.00 176.83 175.74 3du3 n ASP 211 N -4.95 0.00 -0.14 4.97 5.75 -1.26 -3.05 116.55 117.87 3du3 n ASP 211 Ca 0.27 -0.58 0.06 0.00 -0.01 0.00 0.00 54.79 54.53 3du3 n ASP 211 Cb 0.78 -0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.79 3du3 n ASP 211 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3du3 n LEU 212 N -1.05 0.95 -0.02 -2.12 4.77 -0.23 -4.52 117.00 114.78 3du3 n LEU 212 Ca 0.15 -0.63 -0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3du3 n LEU 212 Cb 0.09 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.47 3du3 n LEU 212 CO 0.13 0.20 0.96 -0.26 -1.33 0.00 0.00 177.39 177.09 3du3 h PHE 213 N 0.67 0.58 0.00 -1.77 -1.00 -1.62 -1.92 116.94 111.88 3du3 h PHE 213 Ca 0.00 -0.05 -0.04 0.00 2.81 0.00 0.00 57.97 60.69 3du3 h PHE 213 Cb 0.34 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 3du3 h PHE 213 CO 0.00 0.55 -0.18 0.00 -1.61 0.00 0.00 178.31 177.07 3du3 h ALA 214 N 1.50 1.66 0.00 2.45 0.00 -1.80 -1.96 119.26 121.10 3du3 h ALA 214 Ca 0.12 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3du3 h ALA 214 Cb 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3du3 h ALA 214 CO 0.01 0.22 -0.33 0.78 0.00 0.00 0.00 179.25 179.93 3du3 h GLY 215 N 0.57 0.00 -6.45 0.00 0.00 -1.63 -3.45 103.07 92.11 3du3 h GLY 215 Ca -0.00 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.63 3du3 h GLY 215 CO 0.02 0.00 1.11 1.39 0.00 0.00 0.00 176.54 179.06 3du3 n ILE 216 N -3.54 0.32 -1.65 2.60 5.41 -0.74 -4.84 119.36 116.92 3du3 n ILE 216 Ca -0.00 -0.12 -0.41 0.00 1.00 0.00 0.00 62.75 63.22 3du3 n ILE 216 Cb 0.47 -1.45 0.02 0.00 -0.71 0.00 0.00 39.64 37.97 3du3 n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3du3 n PRO 217 N 6.55 1.52 -3.41 0.38 -0.01 -1.26 -4.98 135.00 133.79 3du3 n PRO 217 Ca 0.31 0.55 -0.26 0.00 -0.01 0.00 0.00 63.50 64.08 3du3 n PRO 217 Cb 0.18 -2.19 -0.02 0.00 -0.01 0.00 0.00 33.50 31.46 3du3 n PRO 217 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 175.50 176.44 3du3 s THR 218 N -1.27 5.09 -0.02 3.45 -4.23 -1.26 -4.78 115.64 112.62 3du3 s THR 218 Ca 0.64 -0.23 -0.08 0.00 -1.18 0.00 0.00 61.69 60.84 3du3 s THR 218 Cb -0.52 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 69.49 3du3 s THR 218 CO 0.56 -0.40 0.26 0.27 -0.54 0.00 0.00 174.62 174.77 3du3 s ILE 219 N -2.15 5.30 0.15 2.99 -4.36 -1.26 -5.02 121.20 116.85 3du3 s ILE 219 Ca 0.41 0.27 0.16 0.00 -0.26 0.00 0.00 60.65 61.23 3du3 s ILE 219 Cb -0.10 -3.55 0.07 0.00 1.25 0.00 0.00 42.46 40.12 3du3 s ILE 219 CO 0.32 0.45 1.64 0.07 0.24 0.00 0.00 174.94 177.66 3du3 h LYS 220 N 4.29 0.00 -5.17 0.37 2.10 -2.00 -3.43 116.57 112.73 3du3 h LYS 220 Ca -0.51 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 57.56 3du3 h LYS 220 Cb 1.21 0.00 -0.32 0.00 -0.90 0.00 0.00 32.23 32.22 3du3 h LYS 220 CO 0.64 0.49 -0.84 0.45 -2.00 0.00 0.00 179.45 178.18 3du3 s SER 221 N -6.55 2.24 0.00 7.07 0.15 -1.26 -5.07 113.70 110.29 3du3 s SER 221 Ca 0.00 -0.38 0.04 0.00 0.70 0.00 0.00 55.95 56.31 3du3 s SER 221 Cb 0.11 -0.77 0.22 0.00 -1.71 0.00 0.00 66.02 63.87 3du3 s SER 221 CO 0.72 0.13 0.61 -0.81 1.20 0.00 0.00 173.24 175.09 3du3 n PRO 222 N 3.33 0.37 0.00 5.44 -0.05 -1.26 -3.37 135.00 139.47 3du3 n PRO 222 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.26 3du3 n PRO 222 Cb 0.53 -1.15 0.00 0.00 -0.05 0.00 0.00 33.50 32.82 3du3 n PRO 222 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 3du3 n THR 223 N -0.65 0.07 -4.10 0.52 -2.24 -1.26 -4.89 114.28 101.72 3du3 n THR 223 Ca 0.03 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 3du3 n THR 223 Cb 0.01 1.49 -0.10 0.00 -2.10 0.00 0.00 70.33 69.63 3du3 n THR 223 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3du3 s GLU 224 N -0.07 0.64 0.01 -0.78 2.02 -1.22 -4.52 118.70 114.78 3du3 s GLU 224 Ca 0.00 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 53.92 3du3 s GLU 224 Cb 0.00 -0.10 -0.01 0.00 0.10 0.00 0.00 34.13 34.12 3du3 s GLU 224 CO 0.00 -0.02 -0.01 0.14 0.02 0.00 0.00 175.26 175.39 3du3 s VAL 225 N -2.83 0.04 0.29 2.63 -7.23 -1.26 -4.62 120.40 107.41 3du3 s VAL 225 Ca 0.02 -0.25 0.08 0.00 -1.81 0.00 0.00 61.98 60.02 3du3 s VAL 225 Cb -0.00 -0.09 -0.03 0.00 0.56 0.00 0.00 36.38 36.82 3du3 s VAL 225 CO -0.04 -0.13 0.20 0.42 -0.31 0.00 0.00 175.10 175.24 3du3 s THR 226 N -0.39 3.94 0.38 5.32 -4.23 -1.26 -4.02 115.64 115.39 3du3 s THR 226 Ca -0.04 -1.48 0.10 0.00 -1.18 0.00 0.00 61.69 59.09 3du3 s THR 226 Cb -0.03 -3.24 0.32 0.00 1.34 0.00 0.00 72.50 70.90 3du3 s THR 226 CO -0.00 -0.29 1.92 -0.07 -0.54 0.00 0.00 174.62 175.64 3du3 h LEU 227 N 1.47 0.56 -0.40 4.79 3.38 -1.14 0.29 115.31 124.27 3du3 h LEU 227 Ca -0.46 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 3du3 h LEU 227 Cb 1.25 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3du3 h LEU 227 CO 0.60 0.32 0.02 0.25 0.09 0.00 0.00 178.44 179.72 3du3 h LEU 228 N 0.62 0.68 -0.42 1.67 5.85 -1.59 -2.30 115.31 119.82 3du3 h LEU 228 Ca 0.37 -0.29 -0.18 0.00 0.84 0.00 0.00 57.88 58.62 3du3 h LEU 228 Cb 0.59 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3du3 h LEU 228 CO -0.14 0.80 -0.77 -0.33 -0.34 0.00 0.00 178.44 177.66 3du3 h GLU 229 N 0.53 0.24 -0.32 1.25 5.08 -1.34 -1.50 114.58 118.52 3du3 h GLU 229 Ca 0.12 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3du3 h GLU 229 Cb 0.44 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3du3 h GLU 229 CO 0.02 0.90 0.16 0.93 -1.00 0.00 0.00 179.01 180.01 3du3 h GLU 230 N 0.15 0.45 -0.59 2.33 5.08 -0.50 -1.39 114.58 120.12 3du3 h GLU 230 Ca -0.03 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 3du3 h GLU 230 Cb 1.35 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3du3 h GLU 230 CO 0.12 0.41 0.15 -0.44 -1.00 0.00 0.00 179.01 178.26 3du3 h ASP 231 N 0.38 0.88 0.20 1.42 5.19 -1.23 0.26 116.42 123.52 3du3 h ASP 231 Ca 0.11 -0.23 -0.10 0.00 -0.62 0.00 0.00 57.03 56.19 3du3 h ASP 231 Cb 0.10 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 3du3 h ASP 231 CO -0.01 0.87 -0.39 0.11 -3.12 0.00 0.00 179.24 176.70 3du3 h LYS 232 N 0.84 0.26 0.00 3.56 1.57 -1.18 -0.16 116.57 121.46 3du3 h LYS 232 Ca 0.19 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3du3 h LYS 232 Cb 0.33 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3du3 h LYS 232 CO -0.00 0.61 -0.06 0.82 -0.57 0.00 0.00 179.45 180.25 3du3 h ILE 233 N 0.22 1.46 -0.76 1.86 2.04 -0.98 -2.12 117.51 119.23 3du3 h ILE 233 Ca 0.02 -2.12 -0.03 0.00 1.00 0.00 0.00 64.86 63.74 3du3 h ILE 233 Cb 0.78 2.78 -0.03 0.00 -0.74 0.00 0.00 36.82 39.61 3du3 h ILE 233 CO 0.06 0.49 0.36 0.00 0.00 0.00 0.00 178.15 179.07 3du3 h GLY 235 N 1.08 -0.73 0.58 0.00 0.00 -1.12 -2.05 103.07 100.83 3du3 h GLY 235 Ca 0.26 0.30 0.05 0.00 0.00 0.00 0.00 47.33 47.94 3du3 h GLY 235 CO -0.03 -0.27 0.02 -1.82 0.00 0.00 0.00 176.54 174.44 3du3 h TYR 236 N -0.70 0.03 -0.50 5.60 3.20 -1.30 -1.66 116.97 121.64 3du3 h TYR 236 Ca -0.05 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 3du3 h TYR 236 Cb 0.57 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 3du3 h TYR 236 CO -0.09 -0.02 0.12 0.28 -1.64 0.00 0.00 178.16 176.82 3du3 h VAL 237 N 0.12 1.24 -0.48 1.81 2.07 -1.36 -2.72 116.25 116.93 3du3 h VAL 237 Ca 0.14 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 3du3 h VAL 237 Cb 0.17 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3du3 h VAL 237 CO -0.22 0.31 0.07 0.00 0.02 0.00 0.00 177.57 177.75 3du3 h ALA 238 N 0.99 1.22 0.00 1.67 0.00 -1.18 -2.57 119.26 119.39 3du3 h ALA 238 Ca 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3du3 h ALA 238 Cb 0.33 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3du3 h ALA 238 CO 0.00 0.53 -0.06 0.78 0.00 0.00 0.00 179.25 180.50 3du3 h GLY 239 N 0.94 0.00 1.42 0.00 0.00 -0.99 -2.48 103.07 101.96 3du3 h GLY 239 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.51 3du3 h GLY 239 CO 0.01 0.00 0.33 -1.33 0.00 0.00 0.00 176.54 175.55 3du3 h GLY 240 N 0.43 0.65 0.17 4.60 0.00 -1.31 -1.31 103.07 106.29 3du3 h GLY 240 Ca -0.00 -0.23 0.20 0.00 0.00 0.00 0.00 47.33 47.30 3du3 h GLY 240 CO 0.01 0.20 0.62 1.41 0.00 0.00 0.00 176.54 178.78 3du3 h LEU 241 N 0.58 0.65 0.00 3.11 3.38 -1.50 0.72 115.31 122.26 3du3 h LEU 241 Ca 0.20 0.08 -0.36 0.00 0.09 0.00 0.00 57.88 57.88 3du3 h LEU 241 Cb 0.07 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 3du3 h LEU 241 CO -0.05 0.24 -2.37 0.80 0.09 0.00 0.00 178.44 177.15 3du3 n MET 242 N -4.67 0.74 0.05 1.13 1.56 -0.93 -4.28 117.12 110.72 3du3 n MET 242 Ca 0.22 0.06 0.10 0.00 -0.27 0.00 0.00 57.70 57.82 3du3 n MET 242 Cb 0.63 -1.50 -0.07 0.00 2.15 0.00 0.00 33.22 34.43 3du3 n MET 242 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 3du3 n TYR 243 N -2.96 0.59 0.56 1.12 4.01 -0.54 -3.90 117.16 116.05 3du3 n TYR 243 Ca -0.37 0.17 0.12 0.00 -0.16 0.00 0.00 57.90 57.66 3du3 n TYR 243 Cb 1.05 -0.80 0.12 0.00 -0.31 0.00 0.00 39.34 39.40 3du3 n TYR 243 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3du3 n ALA 244 N -2.24 3.08 -0.20 -0.72 0.00 0.25 -4.52 120.51 116.15 3du3 n ALA 244 Ca -0.03 -0.30 0.01 0.00 0.00 0.00 0.00 53.44 53.12 3du3 n ALA 244 Cb 0.59 -1.10 0.04 0.00 0.00 0.00 0.00 19.45 18.98 3du3 n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3du3 n ALA 245 N -1.83 0.01 0.33 0.00 0.00 -1.22 0.14 120.51 117.94 3du3 n ALA 245 Ca 0.03 0.56 0.22 0.00 0.00 0.00 0.00 53.44 54.26 3du3 n ALA 245 Cb 0.44 -0.29 1.20 0.00 0.00 0.00 0.00 19.45 20.80 3du3 n ALA 245 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3du3 h PRO 246 N 0.00 0.00 -0.02 0.00 0.14 -1.87 -1.92 132.00 128.33 3du3 h PRO 246 Ca 0.22 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.36 3du3 h PRO 246 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.49 3du3 h PRO 246 CO -0.55 0.00 -0.10 1.63 0.14 0.00 0.00 178.00 179.12 3du3 n LYS 247 N -3.04 1.55 -3.35 0.86 5.02 0.38 -4.98 118.16 114.59 3du3 n LYS 247 Ca -0.03 -1.38 -0.38 0.00 -2.02 0.00 0.00 58.31 54.50 3du3 n LYS 247 Cb 0.07 -1.34 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 3du3 n LYS 247 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3du3 s ARG 248 N -1.65 4.28 0.34 1.97 3.52 -0.72 -3.82 118.95 122.86 3du3 s ARG 248 Ca 0.19 0.35 0.03 0.00 -0.13 0.00 0.00 55.73 56.18 3du3 s ARG 248 Cb 0.15 -3.47 0.03 0.00 -1.56 0.00 0.00 34.95 30.10 3du3 s ARG 248 CO 0.28 0.09 0.25 1.63 -0.81 0.00 0.00 175.30 176.75 3du3 n LYS 249 N 3.97 0.99 0.00 5.12 5.02 -1.13 -4.99 118.16 127.13 3du3 n LYS 249 Ca -0.08 -2.13 0.01 0.00 -2.02 0.00 0.00 58.31 54.09 3du3 n LYS 249 Cb 0.51 0.23 0.01 0.00 -0.02 0.00 0.00 35.03 35.76 3du3 n LYS 249 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33