#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cff s ASP 2 N 0.00 -0.53 0.24 0.00 1.47 -1.26 -5.09 116.67 111.51 1cff s ASP 2 Ca 0.00 0.19 0.00 0.00 1.18 0.00 0.00 52.55 53.92 1cff s ASP 2 Cb 0.00 0.51 0.00 0.00 -0.34 0.00 0.00 42.92 43.09 1cff s ASP 2 CO 0.00 -0.76 0.00 0.00 0.68 0.00 0.00 175.17 175.09 1cff n GLN 3 N 0.02 0.00 -3.90 2.11 3.00 -1.26 -5.11 117.38 112.24 1cff n GLN 3 Ca -0.15 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.48 1cff n GLN 3 Cb 0.62 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.79 1cff n GLN 3 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.06 176.58 1cff s LEU 4 N -6.30 4.22 0.37 1.08 0.05 -1.26 -5.07 118.68 111.77 1cff s LEU 4 Ca 0.00 0.35 -0.28 0.00 0.05 0.00 0.00 54.13 54.25 1cff s LEU 4 Cb 0.00 -2.04 -0.10 0.00 -2.05 0.00 0.00 46.19 42.00 1cff s LEU 4 CO 0.00 0.34 1.35 0.42 -0.55 0.00 0.00 176.35 177.91 1cff s THR 5 N -0.58 2.51 -0.64 5.48 -4.23 -1.26 -4.92 115.64 112.00 1cff s THR 5 Ca 0.12 0.50 0.23 0.00 -1.18 0.00 0.00 61.69 61.37 1cff s THR 5 Cb -0.12 -3.31 -0.05 0.00 1.34 0.00 0.00 72.50 70.36 1cff s THR 5 CO 0.02 0.11 1.14 -0.62 -0.54 0.00 0.00 174.62 174.73 1cff n GLU 6 N 0.51 0.27 0.10 3.99 1.02 -1.26 -3.75 120.64 121.52 1cff n GLU 6 Ca 0.01 0.03 -0.04 0.00 -0.02 0.00 0.00 57.16 57.14 1cff n GLU 6 Cb 0.42 -1.62 -0.02 0.00 -0.02 0.00 0.00 31.44 30.20 1cff n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1cff h GLU 7 N 0.00 -0.27 0.10 3.49 3.07 -1.99 -2.31 114.58 116.68 1cff h GLU 7 Ca 0.00 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1cff h GLU 7 Cb 0.72 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 1cff h GLU 7 CO 0.00 -0.18 -0.05 1.96 -1.40 0.00 0.00 179.01 179.34 1cff h GLN 8 N -0.48 -0.13 -0.66 2.33 1.08 -2.00 -3.16 115.11 112.08 1cff h GLN 8 Ca -0.03 0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.32 1cff h GLN 8 Cb 0.21 0.03 -0.10 0.00 -0.05 0.00 0.00 27.48 27.57 1cff h GLN 8 CO 0.05 0.24 0.07 0.97 -0.95 0.00 0.00 178.83 179.21 1cff h ILE 9 N -0.53 0.51 -0.97 2.54 2.10 -1.75 0.21 117.51 119.62 1cff h ILE 9 Ca -0.01 -0.06 0.32 0.00 1.08 0.00 0.00 64.86 66.18 1cff h ILE 9 Cb 0.43 0.31 -0.16 0.00 -1.09 0.00 0.00 36.82 36.32 1cff h ILE 9 CO 0.02 0.03 0.42 0.00 -1.08 0.00 0.00 178.15 177.54 1cff h ALA 10 N 1.57 1.74 -0.34 0.18 0.00 -1.38 1.71 119.26 122.75 1cff h ALA 10 Ca 0.35 0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.53 1cff h ALA 10 Cb 0.58 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1cff h ALA 10 CO -0.51 -0.63 0.15 0.93 0.00 0.00 0.00 179.25 179.19 1cff h GLU 11 N 0.18 0.31 -0.26 0.00 5.08 -0.62 1.04 114.58 120.32 1cff h GLU 11 Ca 0.70 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 59.10 1cff h GLU 11 Cb 1.61 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 1cff h GLU 11 CO -0.69 0.21 0.18 0.35 -1.00 0.00 0.00 179.01 178.05 1cff h PHE 12 N 0.32 0.09 -0.32 4.33 3.57 0.25 0.14 116.94 125.32 1cff h PHE 12 Ca 0.14 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.48 1cff h PHE 12 Cb 0.08 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 1cff h PHE 12 CO -0.11 0.05 -0.45 -0.22 -2.23 0.00 0.00 178.31 175.35 1cff h LYS 13 N 0.10 0.87 -0.88 1.11 3.64 0.38 -0.71 116.57 121.07 1cff h LYS 13 Ca 0.12 -0.51 0.21 0.00 -1.27 0.00 0.00 60.65 59.20 1cff h LYS 13 Cb 0.35 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 1cff h LYS 13 CO -0.01 1.15 0.59 1.05 -2.27 0.00 0.00 179.45 179.96 1cff h GLU 14 N 0.65 0.29 0.15 1.90 -0.00 0.37 0.40 114.58 118.34 1cff h GLU 14 Ca 0.03 -0.02 -0.23 0.00 -0.00 0.00 0.00 59.36 59.14 1cff h GLU 14 Cb 1.05 -0.07 0.02 0.00 -0.00 0.00 0.00 28.75 29.75 1cff h GLU 14 CO 0.11 0.20 -1.10 0.00 -0.00 0.00 0.00 179.01 178.21 1cff h ALA 15 N 1.61 -0.01 -0.40 1.06 0.00 -1.30 -2.74 119.26 117.47 1cff h ALA 15 Ca 0.45 -0.85 0.12 0.00 0.00 0.00 0.00 54.91 54.63 1cff h ALA 15 Cb 1.27 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1cff h ALA 15 CO -0.14 0.57 0.56 0.35 0.00 0.00 0.00 179.25 180.59 1cff h PHE 16 N -0.29 0.00 0.05 0.00 3.57 0.11 2.90 116.94 123.28 1cff h PHE 16 Ca -0.21 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 60.96 1cff h PHE 16 Cb 1.75 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.45 1cff h PHE 16 CO 0.17 0.00 -1.91 0.43 -2.23 0.00 0.00 178.31 174.77 1cff n SER 17 N -3.42 1.40 0.14 0.41 7.64 0.10 -3.55 113.62 116.35 1cff n SER 17 Ca 0.07 0.28 -0.25 0.00 1.01 0.00 0.00 58.87 59.98 1cff n SER 17 Cb 0.72 -0.36 -0.16 0.00 -1.01 0.00 0.00 64.21 63.40 1cff n SER 17 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1cff h LEU 18 N 0.03 0.84 -2.08 -3.43 -0.00 -0.04 -3.10 115.31 107.53 1cff h LEU 18 Ca -0.37 -0.92 0.09 0.00 -0.00 0.00 0.00 57.88 56.68 1cff h LEU 18 Cb 2.03 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 42.41 1cff h LEU 18 CO 0.07 1.72 0.27 0.15 -0.00 0.00 0.00 178.44 180.66 1cff h PHE 19 N 0.14 0.00 0.00 1.13 3.04 0.48 0.83 116.94 122.56 1cff h PHE 19 Ca -0.27 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.62 1cff h PHE 19 Cb 2.17 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 40.67 1cff h PHE 19 CO 0.13 0.00 -0.33 0.22 -2.02 0.00 0.00 178.31 176.31 1cff h ASP 20 N 0.00 0.00 -6.87 0.41 3.58 -1.59 -3.46 116.42 108.49 1cff h ASP 20 Ca 0.15 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 57.02 1cff h ASP 20 Cb 0.69 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.67 1cff h ASP 20 CO -0.00 0.33 -0.98 2.29 -2.88 0.00 0.00 179.24 177.99 1cff n LYS 21 N -3.23 -0.84 0.00 0.28 2.85 0.29 -4.67 118.16 112.84 1cff n LYS 21 Ca 0.02 0.15 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 1cff n LYS 21 Cb 0.62 -3.19 0.00 0.00 -0.65 0.00 0.00 35.03 31.81 1cff n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1cff n ASP 22 N -2.50 0.00 -0.98 -5.58 5.68 -1.26 -5.04 116.55 106.87 1cff n ASP 22 Ca -0.19 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.08 1cff n ASP 22 Cb 0.62 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.60 1cff n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cff n GLY 23 N -0.20 0.56 0.04 6.12 0.00 -1.26 -4.98 105.19 105.47 1cff n GLY 23 Ca 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 1cff n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cff n ASP 24 N -0.28 2.21 0.00 1.61 2.03 -1.26 -5.02 116.55 115.84 1cff n ASP 24 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1cff n ASP 24 Cb 0.51 0.96 0.00 0.00 -0.72 0.00 0.00 41.12 41.87 1cff n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cff n GLY 25 N 2.19 0.43 3.25 0.27 0.00 -1.26 -5.04 105.19 105.03 1cff n GLY 25 Ca -0.15 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 1cff n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cff s THR 26 N -2.00 0.06 -0.35 2.61 -4.23 -1.26 -4.58 115.64 105.89 1cff s THR 26 Ca 0.00 -0.48 0.01 0.00 -1.18 0.00 0.00 61.69 60.04 1cff s THR 26 Cb 0.00 -0.68 0.09 0.00 1.34 0.00 0.00 72.50 73.25 1cff s THR 26 CO 0.00 -0.27 0.08 -0.63 -0.54 0.00 0.00 174.62 173.26 1cff s ILE 27 N -1.52 2.67 0.42 2.99 -1.09 0.23 -4.84 121.20 120.06 1cff s ILE 27 Ca -0.12 -2.08 0.04 0.00 -2.23 0.00 0.00 60.65 56.26 1cff s ILE 27 Cb -0.04 -2.83 0.04 0.00 -1.58 0.00 0.00 42.46 38.04 1cff s ILE 27 CO 0.03 -0.51 0.31 0.41 -1.23 0.00 0.00 174.94 173.94 1cff n THR 28 N 4.42 0.00 0.25 2.92 -1.04 -1.26 -1.91 114.28 117.66 1cff n THR 28 Ca -0.02 -1.69 0.10 0.00 -2.04 0.00 0.00 64.05 60.40 1cff n THR 28 Cb 0.42 -0.12 0.64 0.00 -1.82 0.00 0.00 70.33 69.46 1cff n THR 28 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1cff h THR 29 N 0.65 0.81 0.28 12.58 1.35 -1.95 0.18 112.91 126.81 1cff h THR 29 Ca -0.27 -0.54 -0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1cff h THR 29 Cb 0.98 1.32 -0.03 0.00 -1.73 0.00 0.00 68.15 68.69 1cff h THR 29 CO 0.43 0.14 -0.43 0.50 -0.25 0.00 0.00 175.52 175.91 1cff h LYS 30 N 0.00 -0.71 0.08 4.72 3.64 -1.97 0.69 116.57 123.01 1cff h LYS 30 Ca -0.00 0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 1cff h LYS 30 Cb 0.31 0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1cff h LYS 30 CO 0.02 -0.48 -0.49 0.93 -2.27 0.00 0.00 179.45 177.16 1cff h GLU 31 N -0.74 0.17 -0.62 1.90 3.07 -1.86 -2.61 114.58 113.88 1cff h GLU 31 Ca -0.03 -0.29 0.17 0.00 -0.50 0.00 0.00 59.36 58.71 1cff h GLU 31 Cb 0.68 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.67 1cff h GLU 31 CO -0.13 1.14 0.44 1.25 -1.40 0.00 0.00 179.01 180.31 1cff h LEU 32 N -0.64 0.05 0.07 1.33 5.85 -0.69 0.20 115.31 121.48 1cff h LEU 32 Ca -0.09 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.36 1cff h LEU 32 Cb 1.37 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 42.41 1cff h LEU 32 CO 0.08 0.02 -1.21 1.23 -0.34 0.00 0.00 178.44 178.23 1cff h GLY 33 N 0.05 0.43 0.75 3.75 0.00 0.35 -2.07 103.07 106.33 1cff h GLY 33 Ca 0.30 -0.98 0.05 0.00 0.00 0.00 0.00 47.33 46.70 1cff h GLY 33 CO -0.02 0.86 0.41 -0.84 0.00 0.00 0.00 176.54 176.95 1cff h THR 34 N 0.14 1.02 0.00 4.70 2.02 -0.23 0.89 112.91 121.46 1cff h THR 34 Ca -0.14 -0.27 -0.15 0.00 0.77 0.00 0.00 66.41 66.62 1cff h THR 34 Cb 1.90 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1cff h THR 34 CO 0.21 0.14 -0.71 1.62 0.37 0.00 0.00 175.52 177.15 1cff h VAL 35 N 0.78 1.47 0.00 3.16 3.04 -1.36 0.29 116.25 123.62 1cff h VAL 35 Ca 0.30 -2.47 0.00 0.00 -1.01 0.00 0.00 66.70 63.52 1cff h VAL 35 Cb 0.13 2.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.76 1cff h VAL 35 CO -0.16 0.70 -0.08 0.23 -1.01 0.00 0.00 177.57 177.25 1cff n MET 36 N -3.63 0.22 -0.03 4.17 2.81 -0.39 -2.08 117.12 118.18 1cff n MET 36 Ca -0.01 0.16 -0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1cff n MET 36 Cb 0.71 -1.74 -0.09 0.00 -0.71 0.00 0.00 33.22 31.39 1cff n MET 36 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1cff n ARG 37 N -2.11 1.40 0.06 0.03 0.63 0.30 0.35 116.66 117.31 1cff n ARG 37 Ca 0.06 -0.05 0.12 0.00 -0.92 0.00 0.00 57.85 57.05 1cff n ARG 37 Cb 0.42 -1.27 0.07 0.00 0.45 0.00 0.00 32.46 32.12 1cff n ARG 37 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1cff n SER 38 N -2.17 0.68 0.07 6.15 7.64 0.10 -3.39 113.62 122.70 1cff n SER 38 Ca -0.10 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1cff n SER 38 Cb 0.60 0.51 0.00 0.00 -1.01 0.00 0.00 64.21 64.31 1cff n SER 38 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1cff n LEU 39 N -2.20 0.69 0.23 -3.43 7.99 -0.89 -4.76 117.00 114.64 1cff n LEU 39 Ca 0.02 0.21 0.10 0.00 -0.01 0.00 0.00 56.01 56.33 1cff n LEU 39 Cb 0.47 -0.12 0.53 0.00 -0.11 0.00 0.00 43.42 44.19 1cff n LEU 39 CO 0.39 -0.74 0.84 1.23 -1.51 0.00 0.00 177.39 177.60 1cff h GLY 40 N 0.00 0.00 -3.84 -0.72 0.00 -1.51 -3.47 103.07 93.53 1cff h GLY 40 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1cff h GLY 40 CO 0.00 0.00 -0.18 0.61 0.00 0.00 0.00 176.54 176.97 1cff n GLN 41 N -3.47 -0.26 0.01 4.80 10.64 0.15 -4.52 117.38 124.73 1cff n GLN 41 Ca -0.00 0.17 0.00 0.00 -1.83 0.00 0.00 57.00 55.33 1cff n GLN 41 Cb 0.38 -0.31 0.00 0.00 -0.86 0.00 0.00 30.24 29.45 1cff n GLN 41 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1cff n ASN 42 N 0.47 -0.18 -2.98 2.61 5.03 -1.20 -4.99 115.26 114.02 1cff n ASN 42 Ca -0.03 0.39 -0.36 0.00 0.87 0.00 0.00 54.58 55.45 1cff n ASN 42 Cb 0.10 0.52 -0.04 0.00 -1.02 0.00 0.00 39.78 39.34 1cff n ASN 42 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1cff n PRO 43 N -2.76 0.00 -1.67 3.52 -0.02 -1.26 -4.92 135.00 127.88 1cff n PRO 43 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 1cff n PRO 43 Cb 0.00 -0.83 0.11 0.00 -0.02 0.00 0.00 33.50 32.76 1cff n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1cff s THR 44 N -0.36 2.22 0.30 3.45 -4.23 -1.26 -4.91 115.64 110.85 1cff s THR 44 Ca 0.51 0.07 0.05 0.00 -1.18 0.00 0.00 61.69 61.15 1cff s THR 44 Cb -0.73 -2.92 0.06 0.00 1.34 0.00 0.00 72.50 70.25 1cff s THR 44 CO 0.38 -0.09 1.73 -0.08 -0.54 0.00 0.00 174.62 176.01 1cff h GLU 45 N -1.26 0.34 0.00 3.99 4.22 -2.02 -2.82 114.58 117.04 1cff h GLU 45 Ca -0.48 -0.14 -0.11 0.00 0.08 0.00 0.00 59.36 58.71 1cff h GLU 45 Cb 1.32 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 1cff h GLU 45 CO 0.63 0.63 -0.96 0.00 -2.18 0.00 0.00 179.01 177.13 1cff h ALA 46 N 1.37 0.66 0.66 2.92 0.00 -1.99 -3.33 119.26 119.54 1cff h ALA 46 Ca 0.04 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1cff h ALA 46 Cb 0.72 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1cff h ALA 46 CO 0.05 0.62 -0.32 1.49 0.00 0.00 0.00 179.25 181.10 1cff h GLU 47 N 0.00 -0.86 -0.10 0.00 4.81 -1.87 -1.02 114.58 115.54 1cff h GLU 47 Ca -0.07 0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1cff h GLU 47 Cb 1.39 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.96 1cff h GLU 47 CO 0.04 -0.55 0.21 1.37 -0.73 0.00 0.00 179.01 179.35 1cff h LEU 48 N -1.20 0.00 -0.56 1.64 -0.00 -1.71 1.50 115.31 114.98 1cff h LEU 48 Ca -0.09 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.63 1cff h LEU 48 Cb 0.70 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.35 1cff h LEU 48 CO 0.15 0.00 -0.65 -0.61 -0.00 0.00 0.00 178.44 177.33 1cff h GLN 49 N 0.00 0.28 -0.00 0.17 5.75 -1.59 0.75 115.11 120.46 1cff h GLN 49 Ca 0.05 -0.21 -0.18 0.00 -0.15 0.00 0.00 58.65 58.16 1cff h GLN 49 Cb 0.47 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 1cff h GLN 49 CO -0.00 0.83 -0.81 0.22 -2.65 0.00 0.00 178.83 176.42 1cff h ASP 50 N 0.20 0.14 0.24 -0.69 1.82 0.32 0.15 116.42 118.60 1cff h ASP 50 Ca -0.01 -0.11 -0.21 0.00 -0.39 0.00 0.00 57.03 56.31 1cff h ASP 50 Cb 1.18 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.15 1cff h ASP 50 CO 0.10 0.89 -0.84 -0.03 -1.61 0.00 0.00 179.24 177.75 1cff h MET 51 N 0.06 0.46 -0.08 0.28 4.05 0.09 -2.44 114.93 117.35 1cff h MET 51 Ca -0.02 -0.43 -0.10 0.00 -0.28 0.00 0.00 59.70 58.86 1cff h MET 51 Cb 1.42 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.33 1cff h MET 51 CO 0.12 1.08 -0.33 0.82 0.23 0.00 0.00 176.91 178.82 1cff h ILE 52 N 0.29 1.41 -0.07 1.77 1.08 0.62 -3.17 117.51 119.44 1cff h ILE 52 Ca -0.06 -1.71 -0.01 0.00 -0.39 0.00 0.00 64.86 62.69 1cff h ILE 52 Cb 1.46 2.27 -0.00 0.00 -3.07 0.00 0.00 36.82 37.47 1cff h ILE 52 CO 0.15 0.50 -0.01 -1.13 -0.69 0.00 0.00 178.15 176.97 1cff h ASN 53 N -0.10 0.09 0.78 1.72 -0.73 -0.74 -1.05 115.58 115.55 1cff h ASN 53 Ca -0.02 -0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.11 1cff h ASN 53 Cb 0.98 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.54 1cff h ASN 53 CO 0.07 0.12 -0.17 -0.33 -0.37 0.00 0.00 177.43 176.74 1cff h GLU 54 N 0.10 0.00 -0.88 6.67 3.07 -1.41 -2.93 114.58 119.20 1cff h GLU 54 Ca 0.02 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.30 1cff h GLU 54 Cb 0.09 0.00 -0.31 0.00 -0.84 0.00 0.00 28.75 27.69 1cff h GLU 54 CO 0.00 0.17 0.38 0.28 -1.40 0.00 0.00 179.01 178.44 1cff n VAL 55 N -3.41 3.23 -1.85 3.13 0.31 -0.40 -4.66 118.33 114.69 1cff n VAL 55 Ca -0.00 -3.08 -0.34 0.00 -0.01 0.00 0.00 64.34 60.91 1cff n VAL 55 Cb 0.36 -0.99 0.04 0.00 -0.91 0.00 0.00 33.84 32.34 1cff n VAL 55 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1cff n ASP 56 N -0.92 6.68 -0.30 4.52 8.00 -1.11 -4.64 116.55 128.78 1cff n ASP 56 Ca 0.56 -3.79 0.11 0.00 0.71 0.00 0.00 54.79 52.37 1cff n ASP 56 Cb 0.89 -0.82 0.27 0.00 -0.02 0.00 0.00 41.12 41.45 1cff n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cff h ALA 57 N 2.47 1.38 0.02 2.24 0.00 -1.87 0.73 119.26 124.24 1cff h ALA 57 Ca 0.50 0.13 -0.24 0.00 0.00 0.00 0.00 54.91 55.30 1cff h ALA 57 Cb 0.68 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1cff h ALA 57 CO 1.28 -0.23 -1.19 0.22 0.00 0.00 0.00 179.25 179.33 1cff h ASP 58 N 0.51 0.08 -6.03 0.00 3.58 -1.94 -3.50 116.42 109.12 1cff h ASP 58 Ca 0.52 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.88 1cff h ASP 58 Cb 0.89 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 1cff h ASP 58 CO -0.45 1.08 -0.17 0.61 -2.88 0.00 0.00 179.24 177.42 1cff n GLY 59 N 1.43 -0.57 0.76 -0.78 0.00 0.25 -4.97 105.19 101.31 1cff n GLY 59 Ca -0.05 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1cff n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cff n ASN 60 N 2.45 0.00 0.00 1.61 6.94 -1.26 -5.06 115.26 119.94 1cff n ASN 60 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.51 1cff n ASN 60 Cb 0.07 0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 1cff n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cff n GLY 61 N -0.21 -0.23 0.00 4.83 0.00 -1.26 -5.17 105.19 103.15 1cff n GLY 61 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cff n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cff n THR 62 N -1.89 0.00 -3.69 2.61 -2.24 -1.26 -5.02 114.28 102.79 1cff n THR 62 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1cff n THR 62 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 1cff n THR 62 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1cff s ILE 63 N -1.56 5.36 0.20 2.28 1.09 -0.80 -4.80 121.20 122.97 1cff s ILE 63 Ca 0.00 0.38 0.11 0.00 -1.10 0.00 0.00 60.65 60.04 1cff s ILE 63 Cb 0.00 -3.53 -0.04 0.00 -1.06 0.00 0.00 42.46 37.83 1cff s ILE 63 CO 0.00 0.49 -0.19 1.51 -0.10 0.00 0.00 174.94 176.65 1cff s ASP 64 N -0.15 3.70 0.21 3.58 1.47 -1.26 -0.60 116.67 123.61 1cff s ASP 64 Ca 0.14 -0.80 -0.11 0.00 1.18 0.00 0.00 52.55 52.96 1cff s ASP 64 Cb -0.13 -0.40 0.28 0.00 -0.34 0.00 0.00 42.92 42.33 1cff s ASP 64 CO 0.03 0.11 1.29 0.33 0.68 0.00 0.00 175.17 177.61 1cff n PHE 65 N 0.10 0.14 0.34 2.11 7.35 -1.26 -1.18 117.46 125.06 1cff n PHE 65 Ca -0.11 1.02 -0.14 0.00 -0.76 0.00 0.00 57.45 57.46 1cff n PHE 65 Cb 0.56 -0.88 -0.07 0.00 0.35 0.00 0.00 39.48 39.45 1cff n PHE 65 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1cff h PRO 66 N 0.00 -0.86 -0.54 -7.13 0.13 -1.99 -2.72 132.00 118.88 1cff h PRO 66 Ca 0.33 0.06 0.08 0.00 -0.87 0.00 0.00 66.00 65.61 1cff h PRO 66 Cb 0.54 0.20 -0.07 0.00 0.13 0.00 0.00 31.00 31.80 1cff h PRO 66 CO -0.84 -0.57 0.17 1.05 -0.23 0.00 0.00 178.00 177.58 1cff h GLU 67 N -1.10 0.33 -0.46 0.86 4.11 -1.83 -0.37 114.58 116.11 1cff h GLU 67 Ca -0.09 -0.02 0.08 0.00 0.07 0.00 0.00 59.36 59.40 1cff h GLU 67 Cb 0.69 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 1cff h GLU 67 CO 0.15 0.22 0.07 0.35 0.07 0.00 0.00 179.01 179.86 1cff h PHE 68 N 0.34 0.10 0.61 2.06 3.04 -1.24 -1.47 116.94 120.39 1cff h PHE 68 Ca 0.27 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.22 1cff h PHE 68 Cb 0.33 0.02 0.01 0.00 2.56 0.00 0.00 35.95 38.87 1cff h PHE 68 CO -0.19 -0.03 -0.30 1.25 -2.02 0.00 0.00 178.31 177.03 1cff h LEU 69 N 0.20 -0.71 -0.75 0.59 5.85 -1.00 -1.89 115.31 117.60 1cff h LEU 69 Ca 0.23 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.14 1cff h LEU 69 Cb 0.31 0.19 -0.12 0.00 0.37 0.00 0.00 40.66 41.41 1cff h LEU 69 CO -0.32 -0.50 0.14 0.71 -0.34 0.00 0.00 178.44 178.13 1cff h THR 70 N -0.83 0.46 -0.41 1.05 1.35 -0.74 0.92 112.91 114.71 1cff h THR 70 Ca -0.08 -0.08 -0.05 0.00 -0.55 0.00 0.00 66.41 65.65 1cff h THR 70 Cb 0.64 0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 67.25 1cff h THR 70 CO 0.13 0.04 0.03 -0.03 -0.25 0.00 0.00 175.52 175.44 1cff h MET 71 N 0.22 0.64 0.00 4.72 1.85 -1.12 0.88 114.93 122.12 1cff h MET 71 Ca 0.42 -0.14 -0.00 0.00 -0.61 0.00 0.00 59.70 59.37 1cff h MET 71 Cb 0.74 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.68 1cff h MET 71 CO -0.56 0.64 -0.01 0.52 -0.40 0.00 0.00 176.91 177.11 1cff h MET 72 N 0.61 0.00 0.00 0.39 2.07 0.12 -3.41 114.93 114.71 1cff h MET 72 Ca 0.13 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.75 1cff h MET 72 Cb 0.35 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.07 1cff h MET 72 CO 0.01 0.64 -0.12 0.00 1.07 0.00 0.00 176.91 178.50 1cff h ALA 73 N -0.36 0.01 -2.17 6.32 0.00 0.67 -3.47 119.26 120.25 1cff h ALA 73 Ca -0.00 -0.24 -0.43 0.00 0.00 0.00 0.00 54.91 54.23 1cff h ALA 73 Cb 0.64 0.10 0.17 0.00 0.00 0.00 0.00 17.79 18.70 1cff h ALA 73 CO -0.00 0.10 0.20 0.50 0.00 0.00 0.00 179.25 180.04 1cff s ARG 74 N -1.84 -0.32 0.00 0.00 3.52 0.30 -5.02 118.95 115.60 1cff s ARG 74 Ca -0.08 0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.62 1cff s ARG 74 Cb -0.00 -1.69 0.00 0.00 -1.56 0.00 0.00 34.95 31.70 1cff s ARG 74 CO 0.22 -3.14 0.00 1.63 -0.81 0.00 0.00 175.30 173.20 1cff n LYS 75 N -4.39 0.00 0.00 5.12 5.02 -1.25 -4.44 118.16 118.23 1cff n LYS 75 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1cff n LYS 75 Cb 0.59 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.58 1cff n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cff n MET 76 N -0.66 0.00 0.11 1.97 0.00 -1.26 -4.78 117.12 112.51 1cff n MET 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1cff n MET 76 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 33.22 32.43 1cff n MET 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1cff n LYS 77 N -2.20 0.00 -2.21 3.17 3.00 -1.26 -5.08 118.16 113.57 1cff n LYS 77 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 1cff n LYS 77 Cb 0.33 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.37 1cff n LYS 77 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1cff n ASP 78 N -3.06 -1.00 -0.78 3.14 5.68 -1.26 -5.07 116.55 114.21 1cff n ASP 78 Ca 0.00 -1.70 0.01 0.00 -0.50 0.00 0.00 54.79 52.60 1cff n ASP 78 Cb 0.00 1.67 0.00 0.00 -1.14 0.00 0.00 41.12 41.65 1cff n ASP 78 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1cff n THR 79 N -0.23 0.00 -2.09 2.12 5.66 -1.26 -4.96 114.28 113.52 1cff n THR 79 Ca -0.04 -0.25 -0.30 0.00 -3.05 0.00 0.00 64.05 60.42 1cff n THR 79 Cb 0.26 0.57 0.02 0.00 -1.55 0.00 0.00 70.33 69.62 1cff n THR 79 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1cff s ASP 80 N -1.13 6.05 0.00 1.09 1.47 -1.26 -5.04 116.67 117.85 1cff s ASP 80 Ca 0.08 1.20 0.00 0.00 1.18 0.00 0.00 52.55 55.02 1cff s ASP 80 Cb 0.10 -2.26 0.00 0.00 -0.34 0.00 0.00 42.92 40.41 1cff s ASP 80 CO -0.04 -0.90 0.00 -0.24 0.68 0.00 0.00 175.17 174.67 1cff n SER 81 N -2.67 0.00 0.00 2.11 2.88 -1.26 -5.12 113.62 109.56 1cff n SER 81 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1cff n SER 81 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 1cff n SER 81 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1cff n GLU 82 N -0.18 0.00 0.00 -1.46 2.13 -1.26 -4.98 120.64 114.89 1cff n GLU 82 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1cff n GLU 82 Cb 0.00 -0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1cff n GLU 82 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1cff n GLU 83 N -1.24 0.00 -3.13 5.31 4.07 -1.26 -4.73 120.64 119.66 1cff n GLU 83 Ca 0.00 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.85 1cff n GLU 83 Cb 0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1cff n GLU 83 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1cff s GLU 84 N 0.00 3.42 -1.97 5.31 2.02 -1.26 -4.01 118.70 122.20 1cff s GLU 84 Ca 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 54.76 1cff s GLU 84 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.66 1cff s GLU 84 CO 0.00 -0.01 0.00 -0.89 0.02 0.00 0.00 175.26 174.38 1cff n ILE 85 N -1.95 0.00 0.20 -1.63 2.08 -1.26 -4.81 119.36 111.99 1cff n ILE 85 Ca -0.02 0.00 0.10 0.00 0.56 0.00 0.00 62.75 63.38 1cff n ILE 85 Cb 0.56 -1.88 0.22 0.00 -0.75 0.00 0.00 39.64 37.79 1cff n ILE 85 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 1cff h ARG 86 N 0.00 0.00 0.00 0.38 0.11 -1.90 -0.91 114.38 112.07 1cff h ARG 86 Ca -0.38 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.61 1cff h ARG 86 Cb 1.32 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.39 1cff h ARG 86 CO 0.56 0.18 -0.55 1.49 0.10 0.00 0.00 179.97 181.75 1cff h GLU 87 N 0.00 0.00 -0.11 0.08 4.81 -1.88 -2.58 114.58 114.89 1cff h GLU 87 Ca -0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1cff h GLU 87 Cb 1.03 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1cff h GLU 87 CO 0.02 0.80 0.09 0.00 -0.73 0.00 0.00 179.01 179.19 1cff h ALA 88 N -0.40 1.99 -0.29 2.92 0.00 -1.96 1.24 119.26 122.76 1cff h ALA 88 Ca -0.14 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1cff h ALA 88 Cb 0.97 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1cff h ALA 88 CO -0.08 -0.15 -0.20 0.35 0.00 0.00 0.00 179.25 179.17 1cff h PHE 89 N 0.00 0.77 0.00 0.00 3.57 -1.23 -0.87 116.94 119.17 1cff h PHE 89 Ca 0.05 -0.21 -0.09 0.00 3.53 0.00 0.00 57.97 61.26 1cff h PHE 89 Cb 0.23 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1cff h PHE 89 CO 0.00 0.92 -0.63 0.00 -2.23 0.00 0.00 178.31 176.36 1cff h ARG 90 N 0.40 0.00 -0.27 1.11 3.08 -0.70 -2.43 114.38 115.57 1cff h ARG 90 Ca 0.06 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.96 1cff h ARG 90 Cb 0.75 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1cff h ARG 90 CO 0.05 0.32 -0.44 0.28 -1.07 0.00 0.00 179.97 179.11 1cff h VAL 91 N 0.00 1.30 0.00 2.04 2.07 0.16 -3.26 116.25 118.56 1cff h VAL 91 Ca -0.03 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1cff h VAL 91 Cb 1.31 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1cff h VAL 91 CO 0.04 0.52 -1.26 0.49 0.02 0.00 0.00 177.57 177.38 1cff n PHE 92 N -4.02 0.30 0.33 1.57 3.72 -0.34 -4.23 117.46 114.79 1cff n PHE 92 Ca -0.02 0.09 0.06 0.00 -0.05 0.00 0.00 57.45 57.53 1cff n PHE 92 Cb 0.55 -0.51 0.28 0.00 -0.94 0.00 0.00 39.48 38.86 1cff n PHE 92 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1cff n ASP 93 N -2.12 0.15 0.00 4.37 -0.08 -0.92 -4.64 116.55 113.31 1cff n ASP 93 Ca 0.00 0.55 0.00 0.00 -1.51 0.00 0.00 54.79 53.83 1cff n ASP 93 Cb 0.48 -0.57 0.00 0.00 2.34 0.00 0.00 41.12 43.37 1cff n ASP 93 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1cff n LYS 94 N -1.67 0.00 0.17 -0.67 4.81 -1.26 0.77 118.16 120.31 1cff n LYS 94 Ca 0.02 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.32 1cff n LYS 94 Cb 0.13 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.10 1cff n LYS 94 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1cff h ASP 95 N 0.00 -0.33 0.00 3.14 2.03 -1.96 -3.48 116.42 115.82 1cff h ASP 95 Ca 0.00 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.24 1cff h ASP 95 Cb 0.00 0.09 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 1cff h ASP 95 CO 0.00 -0.15 0.00 0.61 -1.03 0.00 0.00 179.24 178.67 1cff n GLY 96 N -0.97 0.68 1.46 7.15 0.00 0.23 -5.10 105.19 108.65 1cff n GLY 96 Ca -0.10 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1cff n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cff n ASN 97 N 0.00 0.21 0.00 1.61 4.13 -1.26 -5.06 115.26 114.89 1cff n ASN 97 Ca 0.00 0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.39 1cff n ASN 97 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1cff n ASN 97 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cff n GLY 98 N 2.43 1.27 3.72 7.41 0.00 -1.26 -5.12 105.19 113.64 1cff n GLY 98 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1cff n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cff s TYR 99 N -0.20 3.02 -0.86 1.61 2.02 -1.26 -4.21 117.35 117.48 1cff s TYR 99 Ca 0.00 -0.03 -0.06 0.00 -0.37 0.00 0.00 57.07 56.61 1cff s TYR 99 Cb 0.00 -1.52 0.22 0.00 -0.40 0.00 0.00 41.96 40.26 1cff s TYR 99 CO 0.00 0.50 0.77 0.42 -1.57 0.00 0.00 175.55 175.67 1cff s ILE 100 N -1.48 4.84 0.06 2.71 1.01 -1.08 -4.85 121.20 122.41 1cff s ILE 100 Ca 0.28 -3.24 -0.26 0.00 0.00 0.00 0.00 60.65 57.42 1cff s ILE 100 Cb -0.11 -4.00 -0.13 0.00 0.01 0.00 0.00 42.46 38.22 1cff s ILE 100 CO 0.20 -1.05 1.41 0.28 0.00 0.00 0.00 174.94 175.78 1cff h SER 101 N 6.80 -0.98 0.00 3.58 0.02 -1.92 -3.37 113.55 117.67 1cff h SER 101 Ca 0.11 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1cff h SER 101 Cb 0.91 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1cff h SER 101 CO 0.83 -0.51 0.00 0.00 -1.14 0.00 0.00 176.83 176.00 1cff n ALA 102 N -2.63 0.00 -0.32 3.77 0.00 -1.26 -4.81 120.51 115.25 1cff n ALA 102 Ca -0.10 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.57 1cff n ALA 102 Cb 0.35 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.24 1cff n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cff h ALA 103 N 0.00 1.74 0.01 0.00 0.00 -1.97 0.84 119.26 119.88 1cff h ALA 103 Ca 0.00 0.26 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1cff h ALA 103 Cb 0.00 0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1cff h ALA 103 CO 0.00 -0.70 -0.44 1.05 0.00 0.00 0.00 179.25 179.16 1cff h GLU 104 N 0.11 0.28 0.16 0.00 4.11 -1.94 -2.94 114.58 114.36 1cff h GLU 104 Ca 0.72 -0.31 0.01 0.00 0.07 0.00 0.00 59.36 59.85 1cff h GLU 104 Cb 1.70 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 31.00 1cff h GLU 104 CO -0.75 1.03 -0.51 -0.07 0.07 0.00 0.00 179.01 178.77 1cff h LEU 105 N -0.33 -1.52 -0.08 3.06 -0.00 -0.25 1.30 115.31 117.48 1cff h LEU 105 Ca -0.06 0.16 0.01 0.00 -0.00 0.00 0.00 57.88 57.99 1cff h LEU 105 Cb 1.18 0.56 -0.02 0.00 -0.00 0.00 0.00 40.66 42.38 1cff h LEU 105 CO 0.09 -0.56 -0.14 0.08 -0.00 0.00 0.00 178.44 177.90 1cff h ARG 106 N -0.77 -0.12 0.90 1.13 0.11 0.29 1.33 114.38 117.24 1cff h ARG 106 Ca -0.01 0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 1cff h ARG 106 Cb 0.77 0.03 0.01 0.00 1.11 0.00 0.00 29.97 31.88 1cff h ARG 106 CO -0.26 -0.08 -0.44 1.25 0.10 0.00 0.00 179.97 180.54 1cff h HIS 107 N -0.12 -1.16 -0.83 4.08 2.76 -1.40 0.90 115.15 119.37 1cff h HIS 107 Ca 0.01 -0.02 0.16 0.00 -2.20 0.00 0.00 60.37 58.32 1cff h HIS 107 Cb 0.16 0.39 -0.10 0.00 1.55 0.00 0.00 27.41 29.41 1cff h HIS 107 CO -0.57 -0.71 0.40 0.28 -1.30 0.00 0.00 177.93 176.02 1cff h VAL 108 N -1.22 0.67 0.00 5.26 2.07 0.17 1.26 116.25 124.46 1cff h VAL 108 Ca -0.12 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1cff h VAL 108 Cb 0.94 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1cff h VAL 108 CO 0.19 0.10 -0.47 -0.03 0.02 0.00 0.00 177.57 177.38 1cff h MET 109 N 0.54 0.00 0.01 1.57 1.85 0.18 -2.56 114.93 116.53 1cff h MET 109 Ca 0.47 0.00 -0.30 0.00 -0.61 0.00 0.00 59.70 59.25 1cff h MET 109 Cb 0.71 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.69 1cff h MET 109 CO -0.40 0.00 -1.77 2.41 -0.40 0.00 0.00 176.91 176.76 1cff n THR 110 N -2.33 1.62 0.10 -0.77 -1.04 0.31 -2.10 114.28 110.06 1cff n THR 110 Ca 0.03 -0.78 -0.05 0.00 -2.04 0.00 0.00 64.05 61.21 1cff n THR 110 Cb 0.46 -1.09 0.02 0.00 -1.82 0.00 0.00 70.33 67.91 1cff n THR 110 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1cff h ASN 111 N 0.01 0.06 0.08 8.00 -0.73 0.14 -3.28 115.58 119.86 1cff h ASN 111 Ca -0.31 -0.05 -0.00 0.00 1.87 0.00 0.00 56.30 57.80 1cff h ASN 111 Cb 2.03 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 40.60 1cff h ASN 111 CO 0.08 0.85 -0.04 0.25 -0.37 0.00 0.00 177.43 178.20 1cff h LEU 112 N 0.03 -0.09 0.00 0.34 5.85 -1.57 -3.47 115.31 116.41 1cff h LEU 112 Ca -0.02 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1cff h LEU 112 Cb 1.44 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.49 1cff h LEU 112 CO 0.11 0.12 0.00 0.61 -0.34 0.00 0.00 178.44 178.95 1cff n GLY 113 N -0.60 0.04 0.28 3.75 0.00 -1.23 -5.11 105.19 102.32 1cff n GLY 113 Ca -0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 1cff n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1cff n GLU 114 N -0.51 -0.70 -1.85 1.61 -0.58 -0.89 -4.97 120.64 112.75 1cff n GLU 114 Ca 0.00 -0.14 0.01 0.00 -0.42 0.00 0.00 57.16 56.61 1cff n GLU 114 Cb 0.00 -0.11 0.02 0.00 -0.57 0.00 0.00 31.44 30.78 1cff n GLU 114 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1cff n LYS 115 N -1.52 0.52 -1.54 3.49 4.81 -1.26 -4.14 118.16 118.52 1cff n LYS 115 Ca 0.01 -2.23 -0.24 0.00 -0.87 0.00 0.00 58.31 54.99 1cff n LYS 115 Cb 0.04 -0.33 -0.08 0.00 0.02 0.00 0.00 35.03 34.68 1cff n LYS 115 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1cff n LEU 116 N 0.04 1.42 0.00 3.14 4.77 -1.26 -4.91 117.00 120.20 1cff n LEU 116 Ca 0.01 -0.94 -0.19 0.00 -0.03 0.00 0.00 56.01 54.86 1cff n LEU 116 Cb 0.99 -1.44 0.19 0.00 -2.33 0.00 0.00 43.42 40.83 1cff n LEU 116 CO -0.03 -2.01 0.22 0.35 -1.33 0.00 0.00 177.39 174.59 1cff n THR 117 N 8.03 0.00 0.22 -5.08 -2.24 -1.26 -4.42 114.28 109.53 1cff n THR 117 Ca 0.48 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.36 1cff n THR 117 Cb 0.40 -0.62 0.44 0.00 -2.10 0.00 0.00 70.33 68.45 1cff n THR 117 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1cff h ASP 118 N -3.03 0.00 0.07 3.42 1.82 -1.97 -1.67 116.42 115.07 1cff h ASP 118 Ca -0.25 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.39 1cff h ASP 118 Cb 0.83 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.85 1cff h ASP 118 CO 0.15 0.24 -0.04 -0.33 -1.61 0.00 0.00 179.24 177.66 1cff h GLU 119 N 0.00 -0.10 -0.75 0.28 5.08 -1.99 -2.63 114.58 114.48 1cff h GLU 119 Ca -0.00 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1cff h GLU 119 Cb 0.77 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.98 1cff h GLU 119 CO 0.03 -0.06 0.45 1.05 -1.00 0.00 0.00 179.01 179.47 1cff h GLU 120 N -0.52 0.80 -0.72 2.33 4.11 -1.91 -0.86 114.58 117.82 1cff h GLU 120 Ca -0.01 -0.05 0.01 0.00 0.07 0.00 0.00 59.36 59.39 1cff h GLU 120 Cb 0.08 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1cff h GLU 120 CO 0.02 0.53 0.47 -0.24 0.07 0.00 0.00 179.01 179.86 1cff h VAL 121 N 0.82 1.17 0.15 -1.06 3.04 -1.45 -0.96 116.25 117.96 1cff h VAL 121 Ca 0.32 -0.32 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1cff h VAL 121 Cb 0.15 0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 29.56 1cff h VAL 121 CO -0.17 0.17 -0.20 -0.78 -1.01 0.00 0.00 177.57 175.59 1cff h ASP 122 N 0.95 -0.57 -0.24 3.17 1.82 -0.76 -0.96 116.42 119.83 1cff h ASP 122 Ca 0.27 0.05 0.07 0.00 -0.39 0.00 0.00 57.03 57.03 1cff h ASP 122 Cb -0.07 0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.13 1cff h ASP 122 CO -0.06 -0.25 0.22 -0.33 -1.61 0.00 0.00 179.24 177.21 1cff h GLU 123 N -0.36 0.00 0.94 0.28 5.08 -1.38 -2.16 114.58 116.99 1cff h GLU 123 Ca -0.02 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1cff h GLU 123 Cb 0.33 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.58 1cff h GLU 123 CO -0.05 0.00 -0.48 1.98 -1.00 0.00 0.00 179.01 179.45 1cff h MET 124 N 0.00 -1.26 0.00 2.33 4.05 -0.03 -0.42 114.93 119.60 1cff h MET 124 Ca 0.11 0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 1cff h MET 124 Cb 0.56 0.29 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 1cff h MET 124 CO -0.00 -0.84 0.00 0.82 0.23 0.00 0.00 176.91 177.12 1cff h ILE 125 N -1.31 0.00 -0.08 1.77 1.08 -0.67 0.15 117.51 118.45 1cff h ILE 125 Ca -0.13 -0.10 -0.06 0.00 -0.39 0.00 0.00 64.86 64.18 1cff h ILE 125 Cb 1.01 0.99 0.00 0.00 -3.07 0.00 0.00 36.82 35.76 1cff h ILE 125 CO 0.19 0.00 -0.17 0.03 -0.69 0.00 0.00 178.15 177.51 1cff h ARG 126 N 0.00 0.25 -0.02 2.37 -0.00 -0.74 0.39 114.38 116.62 1cff h ARG 126 Ca 0.00 -0.17 -0.14 0.00 -0.50 0.00 0.00 59.98 59.17 1cff h ARG 126 Cb 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 29.97 30.09 1cff h ARG 126 CO 0.00 0.77 -0.63 0.93 0.00 0.00 0.00 179.97 181.04 1cff h GLU 127 N -0.23 0.09 -0.26 0.04 4.39 -0.18 -3.00 114.58 115.43 1cff h GLU 127 Ca -0.00 -0.06 -0.17 0.00 0.34 0.00 0.00 59.36 59.47 1cff h GLU 127 Cb 0.77 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1cff h GLU 127 CO 0.04 0.68 -0.51 0.00 -1.16 0.00 0.00 179.01 178.07 1cff h ALA 128 N 1.30 0.61 -0.99 3.43 0.00 -0.67 -3.40 119.26 119.54 1cff h ALA 128 Ca -0.01 -0.50 -0.25 0.00 0.00 0.00 0.00 54.91 54.15 1cff h ALA 128 Cb 1.12 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1cff h ALA 128 CO 0.09 0.68 0.85 0.34 0.00 0.00 0.00 179.25 181.21 1cff s ASP 129 N -6.91 4.28 -0.00 0.00 -1.08 0.13 -4.82 116.67 108.27 1cff s ASP 129 Ca -0.09 0.47 -0.02 0.00 -0.52 0.00 0.00 52.55 52.39 1cff s ASP 129 Cb 0.11 -2.53 -0.01 0.00 -1.46 0.00 0.00 42.92 39.03 1cff s ASP 129 CO 0.86 -3.29 0.60 0.40 0.52 0.00 0.00 175.17 174.27 1cff h ILE 130 N 7.61 0.00 -0.59 4.11 5.03 -1.85 -3.33 117.51 128.50 1cff h ILE 130 Ca -0.11 -0.03 0.12 0.00 -0.12 0.00 0.00 64.86 64.71 1cff h ILE 130 Cb 1.13 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 34.81 1cff h ILE 130 CO 1.10 0.00 -0.12 -2.24 -0.68 0.00 0.00 178.15 176.21 1cff h ASP 131 N -0.10 -0.49 -0.81 1.72 3.04 -1.96 -3.47 116.42 114.36 1cff h ASP 131 Ca -0.01 0.17 0.00 0.00 -3.24 0.00 0.00 57.03 53.95 1cff h ASP 131 Cb 0.05 0.34 0.00 0.00 -1.04 0.00 0.00 39.33 38.68 1cff h ASP 131 CO 0.01 -0.18 0.00 0.61 -2.04 0.00 0.00 179.24 177.64 1cff n GLY 132 N -1.40 0.65 0.07 7.15 0.00 -1.25 -5.04 105.19 105.37 1cff n GLY 132 Ca 0.07 -0.62 -0.05 0.00 0.00 0.00 0.00 46.02 45.41 1cff n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cff n ASP 133 N -0.31 0.97 0.00 1.61 9.92 -1.26 -4.98 116.55 122.49 1cff n ASP 133 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1cff n ASP 133 Cb 0.13 1.05 0.00 0.00 -0.64 0.00 0.00 41.12 41.66 1cff n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cff n GLY 134 N 1.91 1.00 0.00 0.44 0.00 -1.26 -5.08 105.19 102.20 1cff n GLY 134 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1cff n GLY 134 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cff n GLN 135 N 0.00 0.00 -3.63 1.61 7.27 -1.26 -4.95 117.38 116.42 1cff n GLN 135 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.79 1cff n GLN 135 Cb 0.00 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.49 1cff n GLN 135 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1cff s VAL 136 N 1.38 0.23 -0.11 1.69 1.01 -1.26 -4.58 120.40 118.76 1cff s VAL 136 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 1cff s VAL 136 Cb 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1cff s VAL 136 CO 0.00 -0.55 0.60 0.54 0.00 0.00 0.00 175.10 175.69 1cff s ASN 137 N 1.96 6.80 0.28 3.32 2.20 -1.26 -2.63 114.94 125.62 1cff s ASN 137 Ca 0.06 0.97 0.22 0.00 -0.94 0.00 0.00 52.86 53.17 1cff s ASN 137 Cb -0.16 -2.35 0.94 0.00 -2.00 0.00 0.00 41.25 37.68 1cff s ASN 137 CO -0.25 -0.10 0.95 0.00 -2.94 0.00 0.00 177.10 174.76 1cff n TYR 138 N 3.99 0.32 -0.29 1.54 9.36 -1.26 0.18 117.16 131.00 1cff n TYR 138 Ca -0.04 0.33 0.29 0.00 3.32 0.00 0.00 57.90 61.80 1cff n TYR 138 Cb 0.51 -0.69 0.66 0.00 -0.63 0.00 0.00 39.34 39.19 1cff n TYR 138 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 1cff h GLU 139 N 0.00 0.14 0.10 2.98 -0.00 -1.96 0.34 114.58 116.18 1cff h GLU 139 Ca 0.54 -0.01 -0.19 0.00 -0.00 0.00 0.00 59.36 59.70 1cff h GLU 139 Cb 1.86 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 30.58 1cff h GLU 139 CO -0.22 0.09 -0.93 0.93 -0.00 0.00 0.00 179.01 178.88 1cff h GLU 140 N 0.15 0.21 -1.02 1.06 5.08 0.15 -2.78 114.58 117.43 1cff h GLU 140 Ca 0.54 -0.35 0.25 0.00 -1.00 0.00 0.00 59.36 58.79 1cff h GLU 140 Cb 1.85 0.13 -0.11 0.00 0.50 0.00 0.00 28.75 31.12 1cff h GLU 140 CO -0.11 1.17 0.62 0.35 -1.00 0.00 0.00 179.01 180.04 1cff h PHE 141 N -0.50 0.92 0.00 4.33 3.57 -0.44 0.14 116.94 124.95 1cff h PHE 141 Ca -0.19 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.20 1cff h PHE 141 Cb 1.55 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 1cff h PHE 141 CO 0.18 0.08 -0.84 -0.39 -2.23 0.00 0.00 178.31 175.11 1cff h VAL 142 N 0.55 0.79 -0.28 1.41 -1.51 -1.01 -2.68 116.25 113.51 1cff h VAL 142 Ca 0.62 -1.87 0.08 0.00 -1.23 0.00 0.00 66.70 64.30 1cff h VAL 142 Cb 1.27 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 32.19 1cff h VAL 142 CO -0.41 0.27 0.28 0.06 -1.23 0.00 0.00 177.57 176.54 1cff h GLN 143 N -1.00 0.00 0.12 5.19 3.07 -1.32 1.59 115.11 122.75 1cff h GLN 143 Ca -0.20 0.00 -0.30 0.00 0.09 0.00 0.00 58.65 58.24 1cff h GLN 143 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.56 1cff h GLN 143 CO -0.12 0.00 -1.56 1.98 0.09 0.00 0.00 178.83 179.21 1cff h MET 144 N 0.00 0.25 0.00 0.06 4.05 -0.87 -3.14 114.93 115.27 1cff h MET 144 Ca 0.13 -0.43 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 1cff h MET 144 Cb 0.70 0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.66 1cff h MET 144 CO -0.00 1.20 -0.31 1.98 0.23 0.00 0.00 176.91 180.02 1cff h MET 145 N -0.23 0.00 -0.33 0.39 1.85 -0.96 -3.40 114.93 112.25 1cff h MET 145 Ca -0.34 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 58.72 1cff h MET 145 Cb 1.83 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.84 1cff h MET 145 CO 0.06 0.00 0.08 1.79 -0.40 0.00 0.00 176.91 178.44 1cff h THR 146 N -0.68 1.22 -3.00 -0.77 1.35 0.17 -3.49 112.91 107.71 1cff h THR 146 Ca 0.00 -0.74 0.32 0.00 -0.55 0.00 0.00 66.41 65.44 1cff h THR 146 Cb 0.31 1.08 -0.08 0.00 -1.73 0.00 0.00 68.15 67.73 1cff h THR 146 CO 0.00 0.25 -0.43 0.00 -0.25 0.00 0.00 175.52 175.09 1cff n ALA 147 N -2.32 -3.08 -0.39 6.62 0.00 0.28 -4.96 120.51 116.66 1cff n ALA 147 Ca -0.02 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1cff n ALA 147 Cb 0.19 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1cff n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86