#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cff n ASP 2 N 0.00 1.95 -2.32 0.00 -0.08 -1.26 -4.93 116.55 109.91 1cff n ASP 2 Ca 0.00 0.31 -0.03 0.00 -1.51 0.00 0.00 54.79 53.56 1cff n ASP 2 Cb 0.00 -0.80 0.01 0.00 2.34 0.00 0.00 41.12 42.67 1cff n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cff n GLN 3 N -4.17 0.33 -2.06 -0.67 10.64 -1.26 -5.10 117.38 115.09 1cff n GLN 3 Ca -0.52 -0.63 -0.36 0.00 -1.83 0.00 0.00 57.00 53.66 1cff n GLN 3 Cb 0.88 0.04 -0.03 0.00 -0.86 0.00 0.00 30.24 30.26 1cff n GLN 3 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1cff s LEU 4 N -1.82 3.26 0.44 2.61 1.98 -1.26 -4.94 118.68 118.95 1cff s LEU 4 Ca 0.04 0.12 -0.26 0.00 -2.89 0.00 0.00 54.13 51.14 1cff s LEU 4 Cb 0.11 -2.54 -0.09 0.00 0.66 0.00 0.00 46.19 44.34 1cff s LEU 4 CO -0.03 -2.43 1.44 0.35 -1.89 0.00 0.00 176.35 173.80 1cff n THR 5 N 7.31 2.68 0.65 3.68 -2.24 -1.26 -4.90 114.28 120.20 1cff n THR 5 Ca 0.24 -0.50 0.12 0.00 -2.27 0.00 0.00 64.05 61.63 1cff n THR 5 Cb 0.51 -1.86 0.12 0.00 -2.10 0.00 0.00 70.33 67.00 1cff n THR 5 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cff n GLU 6 N -0.10 0.24 0.15 -0.78 1.02 -1.26 -3.68 120.64 116.23 1cff n GLU 6 Ca 0.05 0.04 -0.06 0.00 -0.02 0.00 0.00 57.16 57.16 1cff n GLU 6 Cb 0.41 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 30.18 1cff n GLU 6 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1cff h GLU 7 N 0.00 -0.40 -0.01 3.49 4.81 -1.99 -2.06 114.58 118.42 1cff h GLU 7 Ca 0.00 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1cff h GLU 7 Cb 0.69 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1cff h GLU 7 CO 0.00 -0.26 -0.13 -0.56 -0.73 0.00 0.00 179.01 177.33 1cff h GLN 8 N -0.57 0.11 -0.99 1.92 3.07 -2.00 -3.14 115.11 113.52 1cff h GLN 8 Ca -0.04 -0.10 0.24 0.00 0.09 0.00 0.00 58.65 58.84 1cff h GLN 8 Cb 0.32 0.02 -0.08 0.00 0.08 0.00 0.00 27.48 27.82 1cff h GLN 8 CO 0.07 0.80 0.65 0.97 0.09 0.00 0.00 178.83 181.41 1cff h ILE 9 N -0.55 0.59 -0.97 1.86 -0.00 -1.74 1.00 117.51 117.71 1cff h ILE 9 Ca -0.01 -0.13 0.17 0.00 -0.00 0.00 0.00 64.86 64.89 1cff h ILE 9 Cb 0.83 0.18 -0.09 0.00 -0.00 0.00 0.00 36.82 37.75 1cff h ILE 9 CO 0.03 0.07 0.61 0.00 -0.00 0.00 0.00 178.15 178.85 1cff h ALA 10 N 1.60 1.80 -0.72 0.18 0.00 -1.31 0.94 119.26 121.75 1cff h ALA 10 Ca 0.53 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.54 1cff h ALA 10 Cb 1.40 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1cff h ALA 10 CO -0.22 -0.11 0.42 0.93 0.00 0.00 0.00 179.25 180.28 1cff h GLU 11 N 0.71 0.76 -0.41 0.00 5.08 0.97 1.41 114.58 123.11 1cff h GLU 11 Ca 0.52 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.81 1cff h GLU 11 Cb 0.87 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1cff h GLU 11 CO -0.29 0.51 0.15 0.35 -1.00 0.00 0.00 179.01 178.72 1cff h PHE 12 N 0.79 0.58 -0.69 4.33 3.57 0.82 -0.69 116.94 125.64 1cff h PHE 12 Ca 0.31 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 1cff h PHE 12 Cb 0.15 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1cff h PHE 12 CO -0.06 0.47 0.15 -0.22 -2.23 0.00 0.00 178.31 176.42 1cff h LYS 13 N 0.58 1.12 -0.90 1.11 3.11 0.42 0.20 116.57 122.21 1cff h LYS 13 Ca 0.14 -0.28 0.14 0.00 -2.81 0.00 0.00 60.65 57.84 1cff h LYS 13 Cb 0.15 -0.14 -0.09 0.00 -1.00 0.00 0.00 32.23 31.14 1cff h LYS 13 CO -0.01 1.00 0.51 0.93 -2.81 0.00 0.00 179.45 179.07 1cff h GLU 14 N 1.06 0.71 0.20 1.90 5.08 0.31 0.32 114.58 124.16 1cff h GLU 14 Ca 0.22 -0.04 -0.31 0.00 -1.00 0.00 0.00 59.36 58.22 1cff h GLU 14 Cb 0.40 -0.16 0.02 0.00 0.50 0.00 0.00 28.75 29.51 1cff h GLU 14 CO 0.01 0.47 -1.39 0.00 -1.00 0.00 0.00 179.01 177.09 1cff h ALA 15 N 1.56 -0.05 -0.23 3.43 0.00 -1.22 -1.08 119.26 121.67 1cff h ALA 15 Ca 0.48 -0.88 0.06 0.00 0.00 0.00 0.00 54.91 54.57 1cff h ALA 15 Cb 0.63 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1cff h ALA 15 CO -0.34 0.82 0.16 0.35 0.00 0.00 0.00 179.25 180.25 1cff h PHE 16 N 0.12 0.05 0.00 0.00 3.57 0.86 2.08 116.94 123.62 1cff h PHE 16 Ca -0.21 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.14 1cff h PHE 16 Cb 2.09 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 40.79 1cff h PHE 16 CO 0.10 0.03 -1.71 0.45 -2.23 0.00 0.00 178.31 174.95 1cff n SER 17 N -4.48 0.47 -0.10 0.41 2.88 0.98 -4.27 113.62 109.51 1cff n SER 17 Ca 0.02 0.20 -0.18 0.00 -1.33 0.00 0.00 58.87 57.58 1cff n SER 17 Cb 0.27 0.82 -0.09 0.00 -0.75 0.00 0.00 64.21 64.47 1cff n SER 17 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1cff n LEU 18 N -2.68 1.86 -0.35 2.46 4.77 -0.41 -4.28 117.00 118.36 1cff n LEU 18 Ca -0.12 0.46 0.32 0.00 -0.03 0.00 0.00 56.01 56.64 1cff n LEU 18 Cb 0.80 -0.92 0.59 0.00 -2.33 0.00 0.00 43.42 41.56 1cff n LEU 18 CO 0.43 0.12 1.11 0.15 -1.33 0.00 0.00 177.39 177.87 1cff h PHE 19 N -1.00 0.78 -0.61 -1.77 3.04 0.31 1.43 116.94 119.12 1cff h PHE 19 Ca -0.30 0.04 0.18 0.00 3.98 0.00 0.00 57.97 61.86 1cff h PHE 19 Cb 1.15 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 39.45 1cff h PHE 19 CO -0.01 -0.39 0.53 0.22 -2.02 0.00 0.00 178.31 176.64 1cff h ASP 20 N 0.06 0.00 -6.44 0.41 3.58 -1.74 -3.45 116.42 108.83 1cff h ASP 20 Ca 0.84 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 57.80 1cff h ASP 20 Cb 2.27 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 43.30 1cff h ASP 20 CO -0.68 0.00 -0.90 1.17 -2.88 0.00 0.00 179.24 175.96 1cff n LYS 21 N -3.96 -2.96 0.00 0.28 4.81 0.49 -4.73 118.16 112.09 1cff n LYS 21 Ca 0.12 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1cff n LYS 21 Cb 0.76 -4.45 0.00 0.00 0.02 0.00 0.00 35.03 31.37 1cff n LYS 21 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1cff n ASP 22 N -2.92 0.00 -0.13 3.14 5.68 -1.26 -5.05 116.55 116.01 1cff n ASP 22 Ca -0.27 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.02 1cff n ASP 22 Cb 0.67 0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.74 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 -0.65 0.77 0.22 6.12 0.00 -1.26 -5.03 105.19 105.35 1cff n GLY 23 Ca 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 0.07 2.57 0.00 1.61 2.03 -1.26 -5.04 116.55 116.53 1cff n ASP 24 Ca 0.00 -0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1cff n ASP 24 Cb 0.09 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 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 2.85 1.02 3.29 0.27 0.00 -1.26 -5.09 105.19 106.28 1cff n GLY 25 Ca -0.18 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.11 -0.38 2.61 -4.23 -1.26 -4.90 115.64 105.37 1cff s THR 26 Ca 0.00 0.10 -0.22 0.00 -1.18 0.00 0.00 61.69 60.39 1cff s THR 26 Cb 0.00 -0.64 0.01 0.00 1.34 0.00 0.00 72.50 73.21 1cff s THR 26 CO 0.00 0.04 0.72 -0.63 -0.54 0.00 0.00 174.62 174.21 1cff s ILE 27 N 1.58 4.78 0.29 2.99 -1.09 -1.10 -4.90 121.20 123.75 1cff s ILE 27 Ca -0.08 0.63 0.02 0.00 -2.23 0.00 0.00 60.65 58.99 1cff s ILE 27 Cb -0.09 -4.18 -0.05 0.00 -1.58 0.00 0.00 42.46 36.56 1cff s ILE 27 CO -0.13 -0.46 0.10 -0.89 -1.23 0.00 0.00 174.94 172.33 1cff s THR 28 N 2.97 0.64 0.58 2.92 2.01 -1.26 -1.39 115.64 122.12 1cff s THR 28 Ca 0.28 -2.00 0.29 0.00 0.31 0.00 0.00 61.69 60.57 1cff s THR 28 Cb -0.13 -2.63 0.40 0.00 0.01 0.00 0.00 72.50 70.15 1cff s THR 28 CO 0.17 0.00 1.83 0.71 -0.69 0.00 0.00 174.62 176.64 1cff h THR 29 N 2.27 0.34 0.36 -0.82 1.35 -1.96 -0.57 112.91 113.89 1cff h THR 29 Ca -0.38 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.47 1cff h THR 29 Cb 1.25 0.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1cff h THR 29 CO 0.61 0.00 -0.25 0.50 -0.25 0.00 0.00 175.52 176.13 1cff h LYS 30 N 0.00 -0.56 0.04 4.72 1.63 -1.96 1.23 116.57 121.68 1cff h LYS 30 Ca 0.28 0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1cff h LYS 30 Cb 1.48 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 33.24 1cff h LYS 30 CO -0.00 -0.37 -0.02 0.93 -3.45 0.00 0.00 179.45 176.54 1cff h GLU 31 N -0.58 -0.05 -0.50 1.90 3.07 -1.65 1.05 114.58 117.82 1cff h GLU 31 Ca -0.05 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 58.89 1cff h GLU 31 Cb 0.47 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.37 1cff h GLU 31 CO 0.03 0.34 0.34 1.25 -1.40 0.00 0.00 179.01 179.56 1cff h LEU 32 N -0.44 0.32 0.20 1.33 5.85 -1.19 -1.32 115.31 120.05 1cff h LEU 32 Ca -0.01 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.37 1cff h LEU 32 Cb 0.41 -0.07 0.02 0.00 0.37 0.00 0.00 40.66 41.39 1cff h LEU 32 CO 0.01 0.20 -1.70 1.23 -0.34 0.00 0.00 178.44 177.84 1cff h GLY 33 N 0.36 0.49 0.28 3.75 0.00 0.17 -2.79 103.07 105.33 1cff h GLY 33 Ca 0.22 -1.24 0.18 0.00 0.00 0.00 0.00 47.33 46.50 1cff h GLY 33 CO -0.05 1.09 0.61 -0.84 0.00 0.00 0.00 176.54 177.34 1cff h THR 34 N 0.11 0.74 -0.02 4.70 2.02 0.19 0.17 112.91 120.81 1cff h THR 34 Ca -0.33 -0.23 -0.25 0.00 0.77 0.00 0.00 66.41 66.37 1cff h THR 34 Cb 2.11 0.01 0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1cff h THR 34 CO 0.19 0.12 -0.99 1.62 0.37 0.00 0.00 175.52 176.83 1cff h VAL 35 N 0.67 1.30 0.00 3.16 3.04 -1.36 0.15 116.25 123.21 1cff h VAL 35 Ca 0.52 -2.26 0.00 0.00 -1.01 0.00 0.00 66.70 63.95 1cff h VAL 35 Cb 0.92 2.34 0.00 0.00 -2.01 0.00 0.00 31.29 32.54 1cff h VAL 35 CO -0.28 0.69 0.21 0.00 -1.01 0.00 0.00 177.57 177.18 1cff h MET 36 N 0.38 0.00 0.00 4.17 3.00 -0.40 0.66 114.93 122.73 1cff h MET 36 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 59.70 59.35 1cff h MET 36 Cb 1.64 0.00 -0.04 0.00 0.00 0.00 0.00 31.60 33.20 1cff h MET 36 CO 0.19 0.00 -1.79 -2.13 0.00 0.00 0.00 176.91 173.18 1cff n ARG 37 N -2.79 0.32 0.12 -0.10 0.63 -0.77 -1.70 116.66 112.37 1cff n ARG 37 Ca -0.02 0.14 0.10 0.00 -0.92 0.00 0.00 57.85 57.15 1cff n ARG 37 Cb 0.26 -1.04 0.48 0.00 0.45 0.00 0.00 32.46 32.61 1cff n ARG 37 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1cff n SER 38 N -3.69 0.50 0.00 6.15 2.88 0.51 -1.85 113.62 118.11 1cff n SER 38 Ca -0.29 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1cff n SER 38 Cb 0.69 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 1cff n SER 38 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1cff n LEU 39 N -2.12 0.51 -3.90 2.46 7.99 0.23 -5.01 117.00 117.15 1cff n LEU 39 Ca 0.00 -0.58 -0.30 0.00 -0.01 0.00 0.00 56.01 55.12 1cff n LEU 39 Cb 0.11 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.44 1cff n LEU 39 CO 0.12 0.13 0.10 0.61 -1.51 0.00 0.00 177.39 176.84 1cff n GLY 40 N 0.14 -0.49 3.79 -0.72 0.00 -0.77 -4.91 105.19 102.23 1cff n GLY 40 Ca 0.00 0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1cff n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cff s GLN 41 N -6.60 3.51 0.23 1.61 -0.21 -0.69 -4.95 119.66 112.56 1cff s GLN 41 Ca 0.64 1.36 -0.13 0.00 0.02 0.00 0.00 55.36 57.25 1cff s GLN 41 Cb -0.32 -2.05 0.29 0.00 1.00 0.00 0.00 33.01 31.93 1cff s GLN 41 CO 0.83 -0.68 1.60 -0.91 -2.12 0.00 0.00 175.29 174.01 1cff h ASN 42 N 1.05 -0.79 0.00 5.90 -0.26 -1.91 -3.42 115.58 116.16 1cff h ASN 42 Ca -0.49 0.23 -0.65 0.00 -0.56 0.00 0.00 56.30 54.83 1cff h ASN 42 Cb 1.23 0.49 -0.04 0.00 -1.06 0.00 0.00 38.32 38.94 1cff h ASN 42 CO 0.58 -0.26 1.28 -2.65 -1.06 0.00 0.00 177.43 175.31 1cff n PRO 43 N -5.49 0.00 -1.32 0.81 -0.02 -1.26 -4.87 135.00 122.85 1cff n PRO 43 Ca 0.10 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.26 1cff n PRO 43 Cb 0.38 -1.36 0.09 0.00 -0.02 0.00 0.00 33.50 32.59 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 5.97 3.13 0.37 3.45 -4.23 -1.26 -4.78 115.64 118.28 1cff s THR 44 Ca 1.12 0.41 0.16 0.00 -1.18 0.00 0.00 61.69 62.20 1cff s THR 44 Cb -1.32 -2.85 0.36 0.00 1.34 0.00 0.00 72.50 70.03 1cff s THR 44 CO 0.57 -0.44 1.73 -0.08 -0.54 0.00 0.00 174.62 175.86 1cff h GLU 45 N -0.92 0.41 0.06 3.99 4.81 -1.95 -0.86 114.58 120.12 1cff h GLU 45 Ca -0.44 -0.02 -0.33 0.00 -0.13 0.00 0.00 59.36 58.43 1cff h GLU 45 Cb 1.24 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 1cff h GLU 45 CO 0.51 0.27 -1.89 0.00 -0.73 0.00 0.00 179.01 177.16 1cff n ALA 46 N -2.40 1.18 -0.22 2.92 0.00 -1.26 -4.23 120.51 116.50 1cff n ALA 46 Ca 0.28 -0.70 0.03 0.00 0.00 0.00 0.00 53.44 53.05 1cff n ALA 46 Cb 0.90 -0.73 0.13 0.00 0.00 0.00 0.00 19.45 19.75 1cff n ALA 46 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1cff h GLU 47 N 0.04 0.16 -1.12 0.00 4.57 -1.52 0.43 114.58 117.13 1cff h GLU 47 Ca -0.37 -0.01 0.33 0.00 -1.18 0.00 0.00 59.36 58.13 1cff h GLU 47 Cb 2.03 -0.04 -0.12 0.00 -0.16 0.00 0.00 28.75 30.46 1cff h GLU 47 CO 0.08 0.10 0.71 1.37 -1.18 0.00 0.00 179.01 180.09 1cff h LEU 48 N 0.16 0.40 -0.41 1.64 8.10 -1.59 1.83 115.31 125.44 1cff h LEU 48 Ca 0.36 0.13 -0.13 0.00 0.11 0.00 0.00 57.88 58.35 1cff h LEU 48 Cb 0.60 0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 40.89 1cff h LEU 48 CO -0.54 -0.05 -0.24 -0.61 -4.11 0.00 0.00 178.44 172.89 1cff h GLN 49 N 0.28 0.89 0.00 0.17 4.15 -0.38 0.15 115.11 120.37 1cff h GLN 49 Ca 0.70 -0.41 -0.10 0.00 0.77 0.00 0.00 58.65 59.61 1cff h GLN 49 Cb 1.89 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.56 1cff h GLN 49 CO -0.41 1.06 -0.49 0.22 -1.93 0.00 0.00 178.83 177.28 1cff h ASP 50 N 0.71 0.00 0.90 -0.69 3.58 0.21 0.94 116.42 122.07 1cff h ASP 50 Ca 0.09 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.40 1cff h ASP 50 Cb 0.82 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.85 1cff h ASP 50 CO 0.07 0.49 -0.65 -0.03 -2.88 0.00 0.00 179.24 176.24 1cff h MET 51 N 0.00 0.00 0.09 0.28 4.05 0.25 -1.65 114.93 117.96 1cff h MET 51 Ca -0.00 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.22 1cff h MET 51 Cb 0.96 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.76 1cff h MET 51 CO 0.06 0.65 -0.98 0.82 0.23 0.00 0.00 176.91 177.69 1cff h ILE 52 N 0.00 1.29 0.00 1.77 1.08 -0.34 -3.32 117.51 117.99 1cff h ILE 52 Ca -0.01 -2.41 0.00 0.00 -0.39 0.00 0.00 64.86 62.06 1cff h ILE 52 Cb 1.27 2.92 0.00 0.00 -3.07 0.00 0.00 36.82 37.93 1cff h ILE 52 CO 0.08 0.64 0.00 0.78 -0.69 0.00 0.00 178.15 178.97 1cff h ASN 53 N -0.53 0.00 -0.08 1.72 4.21 -0.89 -2.86 115.58 117.15 1cff h ASN 53 Ca -0.21 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.20 1cff h ASN 53 Cb 1.54 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.75 1cff h ASN 53 CO 0.04 0.00 -0.35 -0.33 -1.29 0.00 0.00 177.43 175.50 1cff h GLU 54 N 0.00 0.38 -0.07 0.81 3.07 -1.41 -3.23 114.58 114.13 1cff h GLU 54 Ca 0.00 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 1cff h GLU 54 Cb 0.54 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1cff h GLU 54 CO 0.00 0.94 0.00 1.33 -1.40 0.00 0.00 179.01 179.88 1cff n VAL 55 N -4.39 0.08 -0.59 3.13 0.24 -1.21 -4.62 118.33 110.97 1cff n VAL 55 Ca -0.08 -0.30 -0.17 0.00 -2.04 0.00 0.00 64.34 61.75 1cff n VAL 55 Cb 0.52 0.48 -0.02 0.00 -1.47 0.00 0.00 33.84 33.35 1cff n VAL 55 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1cff n ASP 56 N 0.26 3.93 0.16 -1.34 8.00 -1.08 -4.47 116.55 122.02 1cff n ASP 56 Ca 0.18 -2.24 0.06 0.00 0.71 0.00 0.00 54.79 53.50 1cff n ASP 56 Cb 0.35 -0.97 0.55 0.00 -0.02 0.00 0.00 41.12 41.04 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 6.52 1.88 0.00 2.24 0.00 -1.88 -1.06 119.26 126.96 1cff h ALA 57 Ca 0.39 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.13 1cff h ALA 57 Cb 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1cff h ALA 57 CO 1.31 0.11 -1.95 -0.40 0.00 0.00 0.00 179.25 178.32 1cff n ASP 58 N -4.51 0.23 -3.93 0.00 5.75 -1.26 -5.00 116.55 107.83 1cff n ASP 58 Ca -0.01 0.10 -0.28 0.00 -0.01 0.00 0.00 54.79 54.60 1cff n ASP 58 Cb 0.08 1.19 0.01 0.00 -1.03 0.00 0.00 41.12 41.37 1cff n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cff n GLY 59 N 1.44 -0.46 0.13 6.12 0.00 -0.40 -4.84 105.19 107.18 1cff n GLY 59 Ca -0.14 0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.89 2.25 0.15 1.61 6.94 -1.26 -5.02 115.26 119.05 1cff n ASN 60 Ca -0.07 -0.08 0.00 0.00 -0.02 0.00 0.00 54.58 54.41 1cff n ASN 60 Cb 0.33 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 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 2.38 -1.54 0.50 4.83 0.00 -1.26 -5.17 105.19 104.92 1cff n GLY 61 Ca -0.39 0.32 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.17 0.00 -1.81 2.61 -2.24 -1.26 -5.10 114.28 103.31 1cff n THR 62 Ca 0.00 -0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 1cff n THR 62 Cb 0.00 0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.57 3.26 0.17 2.28 -1.09 -0.49 -4.92 121.20 117.84 1cff s ILE 63 Ca 0.04 0.29 0.09 0.00 -2.23 0.00 0.00 60.65 58.84 1cff s ILE 63 Cb -0.00 -3.26 -0.04 0.00 -1.58 0.00 0.00 42.46 37.57 1cff s ILE 63 CO 0.03 -0.11 -0.13 -0.62 -1.23 0.00 0.00 174.94 172.87 1cff s ASP 64 N 5.76 4.06 0.29 3.58 2.15 -1.26 -2.69 116.67 128.55 1cff s ASP 64 Ca 0.87 -0.62 0.05 0.00 0.43 0.00 0.00 52.55 53.28 1cff s ASP 64 Cb -0.33 -0.61 0.80 0.00 -0.30 0.00 0.00 42.92 42.48 1cff s ASP 64 CO 0.35 0.12 1.42 0.33 -0.17 0.00 0.00 175.17 177.22 1cff n PHE 65 N 0.22 0.67 0.08 -5.34 7.35 -1.26 -0.80 117.46 118.38 1cff n PHE 65 Ca -0.12 1.09 -0.03 0.00 -0.76 0.00 0.00 57.45 57.63 1cff n PHE 65 Cb 0.55 -1.24 -0.01 0.00 0.35 0.00 0.00 39.48 39.12 1cff n PHE 65 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1cff h PRO 66 N 0.00 -0.19 -0.75 -7.13 0.11 -1.98 0.87 132.00 122.93 1cff h PRO 66 Ca 0.59 0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.82 1cff h PRO 66 Cb 1.32 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.40 1cff h PRO 66 CO -0.82 -0.13 0.39 1.05 -0.21 0.00 0.00 178.00 178.28 1cff h GLU 67 N -0.25 0.63 -0.33 1.05 4.11 -1.80 -1.61 114.58 116.37 1cff h GLU 67 Ca -0.02 -0.04 -0.13 0.00 0.07 0.00 0.00 59.36 59.24 1cff h GLU 67 Cb 0.15 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1cff h GLU 67 CO 0.03 0.42 -0.31 0.35 0.07 0.00 0.00 179.01 179.57 1cff h PHE 68 N 0.65 0.84 0.00 2.06 3.57 -1.07 -2.83 116.94 120.16 1cff h PHE 68 Ca 0.37 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1cff h PHE 68 Cb 0.40 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1cff h PHE 68 CO -0.10 0.95 0.00 -0.11 -2.23 0.00 0.00 178.31 176.82 1cff n LEU 69 N -4.07 0.00 -0.13 0.59 7.94 0.30 -1.44 117.00 120.19 1cff n LEU 69 Ca -0.01 0.72 -0.14 0.00 -1.11 0.00 0.00 56.01 55.48 1cff n LEU 69 Cb 0.48 -0.22 -0.10 0.00 0.53 0.00 0.00 43.42 44.11 1cff n LEU 69 CO 0.45 -0.22 0.50 0.71 -1.11 0.00 0.00 177.39 177.72 1cff h THR 70 N 0.00 0.01 -0.29 1.96 1.35 -1.58 1.22 112.91 115.57 1cff h THR 70 Ca 0.00 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.90 1cff h THR 70 Cb 0.00 0.01 -0.07 0.00 -1.73 0.00 0.00 68.15 66.36 1cff h THR 70 CO 0.00 0.00 -0.50 0.24 -0.25 0.00 0.00 175.52 175.01 1cff h MET 71 N -0.41 -0.39 0.00 4.72 2.86 -1.59 0.88 114.93 121.00 1cff h MET 71 Ca 0.07 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1cff h MET 71 Cb 0.60 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1cff h MET 71 CO -0.59 -0.26 0.00 0.52 1.06 0.00 0.00 176.91 177.64 1cff h MET 72 N -0.41 0.00 0.00 1.72 2.07 -0.92 -3.34 114.93 114.06 1cff h MET 72 Ca 0.05 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.68 1cff h MET 72 Cb 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.29 1cff h MET 72 CO -0.49 0.00 -0.13 0.00 1.07 0.00 0.00 176.91 177.36 1cff h ALA 73 N 2.18 0.00 -2.23 6.32 0.00 0.34 -3.45 119.26 122.43 1cff h ALA 73 Ca 0.00 -0.20 -0.71 0.00 0.00 0.00 0.00 54.91 53.99 1cff h ALA 73 Cb 0.51 0.13 -0.20 0.00 0.00 0.00 0.00 17.79 18.23 1cff h ALA 73 CO 0.00 0.13 -0.17 -0.98 0.00 0.00 0.00 179.25 178.22 1cff s ARG 74 N -1.43 3.04 -0.06 0.00 3.03 0.29 -4.85 118.95 118.98 1cff s ARG 74 Ca -0.04 -1.13 0.14 0.00 2.03 0.00 0.00 55.73 56.74 1cff s ARG 74 Cb 0.01 -4.11 0.28 0.00 -1.03 0.00 0.00 34.95 30.10 1cff s ARG 74 CO 0.05 -1.09 1.13 1.63 -1.13 0.00 0.00 175.30 175.89 1cff n LYS 75 N 5.61 0.51 -4.31 3.89 4.76 -1.26 -4.59 118.16 122.78 1cff n LYS 75 Ca -0.10 -2.06 -0.17 0.00 -2.87 0.00 0.00 58.31 53.11 1cff n LYS 75 Cb 0.45 -0.69 -0.09 0.00 -1.84 0.00 0.00 35.03 32.85 1cff n LYS 75 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1cff s MET 76 N -1.08 1.52 0.00 1.97 -1.94 -1.26 -5.10 119.30 113.41 1cff s MET 76 Ca 0.25 -1.85 0.00 0.00 -1.71 0.00 0.00 55.69 52.37 1cff s MET 76 Cb 0.26 -0.02 0.00 0.00 2.01 0.00 0.00 34.83 37.07 1cff s MET 76 CO -0.07 -0.44 0.98 1.17 -0.01 0.00 0.00 175.02 176.66 1cff n LYS 77 N -0.52 0.00 0.00 2.03 3.00 -1.26 -4.81 118.16 116.60 1cff n LYS 77 Ca 0.02 0.52 0.00 0.00 -0.00 0.00 0.00 58.31 58.85 1cff n LYS 77 Cb 0.65 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 34.20 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 -2.02 0.00 0.00 3.14 5.68 -1.26 -4.29 116.55 117.80 1cff n ASP 78 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1cff n ASP 78 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1cff n ASP 78 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1cff n THR 79 N 0.00 0.00 -3.23 2.12 -2.24 -1.26 -4.56 114.28 105.11 1cff n THR 79 Ca 0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 1cff n THR 79 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1cff n THR 79 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1cff n ASP 80 N 3.38 -6.47 -3.10 3.42 2.03 -1.26 -5.00 116.55 109.55 1cff n ASP 80 Ca 0.00 0.31 -0.03 0.00 0.52 0.00 0.00 54.79 55.59 1cff n ASP 80 Cb 0.00 -2.50 -0.01 0.00 -0.72 0.00 0.00 41.12 37.89 1cff n ASP 80 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1cff s SER 81 N -1.46 -1.16 -1.10 1.67 1.04 -1.26 -5.08 113.70 106.36 1cff s SER 81 Ca 0.19 -1.20 -0.23 0.00 0.48 0.00 0.00 55.95 55.18 1cff s SER 81 Cb -0.02 1.74 -0.07 0.00 0.10 0.00 0.00 66.02 67.77 1cff s SER 81 CO 0.54 -0.14 1.93 -0.70 0.98 0.00 0.00 173.24 175.85 1cff s GLU 82 N 1.47 2.54 0.00 4.02 2.12 -1.26 -4.65 118.70 122.95 1cff s GLU 82 Ca 0.21 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.64 1cff s GLU 82 Cb -0.04 -5.19 0.00 0.00 0.26 0.00 0.00 34.13 29.16 1cff s GLU 82 CO -0.06 -3.76 0.00 -1.91 -0.54 0.00 0.00 175.26 168.99 1cff n GLU 83 N 8.47 0.00 0.03 4.30 2.13 -1.26 -4.57 120.64 129.75 1cff n GLU 83 Ca 0.43 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.23 1cff n GLU 83 Cb 0.47 -0.22 -0.09 0.00 0.27 0.00 0.00 31.44 31.87 1cff n GLU 83 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1cff h GLU 84 N 0.00 0.00 0.00 5.31 4.22 -2.05 -3.28 114.58 118.78 1cff h GLU 84 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1cff h GLU 84 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1cff h GLU 84 CO 0.00 0.41 0.00 0.82 -2.18 0.00 0.00 179.01 178.06 1cff h ILE 85 N 0.00 0.00 -0.73 2.32 1.08 -1.87 -2.45 117.51 115.85 1cff h ILE 85 Ca -0.16 -0.20 0.21 0.00 -0.39 0.00 0.00 64.86 64.32 1cff h ILE 85 Cb 1.67 1.11 -0.03 0.00 -3.07 0.00 0.00 36.82 36.50 1cff h ILE 85 CO 0.06 0.00 0.70 -0.09 -0.69 0.00 0.00 178.15 178.13 1cff h ARG 86 N 0.00 0.00 0.01 2.37 9.65 -1.80 1.60 114.38 126.22 1cff h ARG 86 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1cff h ARG 86 Cb 0.22 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1cff h ARG 86 CO 0.00 0.00 -0.01 1.49 2.80 0.00 0.00 179.97 184.25 1cff h GLU 87 N 0.00 -0.02 -0.24 0.20 4.81 -1.71 -2.13 114.58 115.49 1cff h GLU 87 Ca 0.35 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.65 1cff h GLU 87 Cb 1.73 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.11 1cff h GLU 87 CO -0.00 0.21 0.20 0.00 -0.73 0.00 0.00 179.01 178.69 1cff h ALA 88 N -0.77 2.07 -0.38 2.92 0.00 -1.27 1.03 119.26 122.86 1cff h ALA 88 Ca -0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1cff h ALA 88 Cb 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1cff h ALA 88 CO 0.00 -0.33 -0.35 0.35 0.00 0.00 0.00 179.25 178.93 1cff h PHE 89 N 0.00 1.03 0.00 0.00 3.57 0.22 -0.47 116.94 121.29 1cff h PHE 89 Ca 0.12 -0.29 -0.17 0.00 3.53 0.00 0.00 57.97 61.16 1cff h PHE 89 Cb 0.52 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1cff h PHE 89 CO 0.00 1.09 -1.10 0.00 -2.23 0.00 0.00 178.31 176.07 1cff h ARG 90 N 0.72 0.00 -0.06 1.11 3.08 -0.13 -2.23 114.38 116.87 1cff h ARG 90 Ca 0.07 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 1cff h ARG 90 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1cff h ARG 90 CO 0.09 0.47 -0.40 0.28 -1.07 0.00 0.00 179.97 179.34 1cff h VAL 91 N 0.00 1.30 0.00 2.04 2.07 0.11 -3.13 116.25 118.64 1cff h VAL 91 Ca -0.10 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 65.97 1cff h VAL 91 Cb 1.59 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1cff h VAL 91 CO 0.07 0.42 -1.67 0.49 0.02 0.00 0.00 177.57 176.90 1cff n PHE 92 N -4.04 0.14 0.35 1.57 3.72 -0.20 -4.26 117.46 114.74 1cff n PHE 92 Ca -0.02 0.04 0.14 0.00 -0.05 0.00 0.00 57.45 57.57 1cff n PHE 92 Cb 0.45 -0.49 0.51 0.00 -0.94 0.00 0.00 39.48 39.01 1cff n PHE 92 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1cff h ASP 93 N 0.00 0.00 -3.39 4.37 1.82 -1.34 -3.43 116.42 114.45 1cff h ASP 93 Ca 0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.61 1cff h ASP 93 Cb 0.91 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.90 1cff h ASP 93 CO 0.00 0.00 -0.04 1.17 -1.61 0.00 0.00 179.24 178.76 1cff n LYS 94 N -2.72 -1.99 0.00 0.28 3.00 -1.23 -3.15 118.16 112.34 1cff n LYS 94 Ca 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1cff n LYS 94 Cb 0.34 -2.49 0.00 0.00 0.00 0.00 0.00 35.03 32.87 1cff n LYS 94 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1cff n ASP 95 N -0.84 0.00 0.00 3.14 5.68 -1.26 -4.92 116.55 118.35 1cff n ASP 95 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1cff n ASP 95 Cb 0.27 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 1cff n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cff n GLY 96 N 0.00 0.62 1.95 6.12 0.00 -1.19 -5.11 105.19 107.58 1cff n GLY 96 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.12 0.00 1.61 4.13 -1.26 -5.06 115.26 114.56 1cff n ASN 97 Ca 0.00 0.46 0.00 0.00 1.68 0.00 0.00 54.58 56.72 1cff n ASN 97 Cb 0.00 0.37 0.00 0.00 -1.54 0.00 0.00 39.78 38.61 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 1.60 0.81 3.37 7.41 0.00 -1.26 -5.13 105.19 111.99 1cff n GLY 98 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.59 2.16 -0.68 1.61 2.02 -1.26 -3.90 117.35 116.71 1cff s TYR 99 Ca 0.00 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 1cff s TYR 99 Cb 0.00 -1.15 0.17 0.00 -0.40 0.00 0.00 41.96 40.58 1cff s TYR 99 CO 0.00 0.33 0.49 0.42 -1.57 0.00 0.00 175.55 175.22 1cff s ILE 100 N -1.22 3.45 0.00 2.71 1.01 -1.09 -4.86 121.20 121.19 1cff s ILE 100 Ca 0.13 -3.51 -0.03 0.00 0.00 0.00 0.00 60.65 57.24 1cff s ILE 100 Cb -0.09 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 1cff s ILE 100 CO 0.06 -0.93 1.02 -1.28 0.00 0.00 0.00 174.94 173.81 1cff h SER 101 N 6.35 -0.09 0.00 3.58 0.87 -1.92 -3.37 113.55 118.96 1cff h SER 101 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1cff h SER 101 Cb 0.87 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1cff h SER 101 CO 0.74 -0.06 0.00 0.00 -0.53 0.00 0.00 176.83 176.98 1cff n ALA 102 N -2.05 0.00 -0.30 6.23 0.00 -1.26 -4.70 120.51 118.43 1cff n ALA 102 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 1cff n ALA 102 Cb 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.40 0.08 0.00 0.00 -1.95 1.03 119.26 118.03 1cff h ALA 103 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1cff h ALA 103 Cb 0.00 1.27 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1cff h ALA 103 CO 0.00 -0.70 -0.50 0.93 0.00 0.00 0.00 179.25 178.98 1cff h GLU 104 N -0.01 -0.67 -0.42 0.00 5.08 -1.90 0.37 114.58 117.03 1cff h GLU 104 Ca 0.11 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.57 1cff h GLU 104 Cb 0.30 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.62 1cff h GLU 104 CO -0.67 -0.44 -0.55 -0.07 -1.00 0.00 0.00 179.01 176.28 1cff h LEU 105 N -0.69 -1.85 -0.41 1.33 3.38 -1.46 1.23 115.31 116.85 1cff h LEU 105 Ca -0.00 0.24 0.09 0.00 0.09 0.00 0.00 57.88 58.30 1cff h LEU 105 Cb 0.71 0.76 -0.09 0.00 0.09 0.00 0.00 40.66 42.13 1cff h LEU 105 CO -0.29 -0.39 -0.23 -0.09 0.09 0.00 0.00 178.44 177.54 1cff h ARG 106 N -0.38 -0.15 0.67 1.13 2.43 0.14 1.53 114.38 119.76 1cff h ARG 106 Ca 0.07 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1cff h ARG 106 Cb 0.58 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1cff h ARG 106 CO -0.60 -0.10 -0.32 1.25 -1.51 0.00 0.00 179.97 178.69 1cff h HIS 107 N -0.15 -0.83 -0.08 2.20 2.76 0.11 -2.38 115.15 116.78 1cff h HIS 107 Ca 0.20 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.26 1cff h HIS 107 Cb 0.46 0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.70 1cff h HIS 107 CO -0.46 -0.52 -0.29 -0.39 -1.30 0.00 0.00 177.93 174.97 1cff h VAL 108 N -1.10 1.42 0.00 5.26 -1.51 0.16 -2.62 116.25 117.86 1cff h VAL 108 Ca -0.09 -1.67 0.00 0.00 -1.23 0.00 0.00 66.70 63.71 1cff h VAL 108 Cb 0.69 2.28 0.00 0.00 -2.13 0.00 0.00 31.29 32.12 1cff h VAL 108 CO 0.15 0.48 0.00 -0.03 -1.23 0.00 0.00 177.57 176.94 1cff h MET 109 N -0.15 0.00 0.00 5.19 -1.53 0.21 0.85 114.93 119.51 1cff h MET 109 Ca -0.01 0.00 -0.25 0.00 -3.44 0.00 0.00 59.70 56.00 1cff h MET 109 Cb 0.93 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.94 1cff h MET 109 CO 0.06 0.00 -1.63 2.41 0.14 0.00 0.00 176.91 177.89 1cff n THR 110 N -3.01 1.45 0.06 -0.77 -1.04 -0.89 -2.84 114.28 107.23 1cff n THR 110 Ca 0.00 -0.76 0.06 0.00 -2.04 0.00 0.00 64.05 61.31 1cff n THR 110 Cb 0.27 -0.91 -0.05 0.00 -1.82 0.00 0.00 70.33 67.82 1cff n THR 110 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1cff n ASN 111 N -2.98 0.83 0.01 8.00 2.85 -0.99 -4.05 115.26 118.94 1cff n ASN 111 Ca -0.15 0.34 -0.04 0.00 -0.11 0.00 0.00 54.58 54.62 1cff n ASN 111 Cb 0.98 0.34 0.17 0.00 1.24 0.00 0.00 39.78 42.51 1cff n ASN 111 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1cff h LEU 112 N 0.00 0.51 0.00 1.20 5.85 0.60 -3.46 115.31 120.01 1cff h LEU 112 Ca -0.09 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1cff h LEU 112 Cb 1.30 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1cff h LEU 112 CO 0.02 0.79 0.00 0.61 -0.34 0.00 0.00 178.44 179.52 1cff n GLY 113 N -0.28 0.25 3.95 3.75 0.00 -1.25 -5.08 105.19 106.52 1cff n GLY 113 Ca -0.01 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1cff n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cff s GLU 114 N 0.00 0.75 -0.32 1.61 0.41 -1.13 -5.01 118.70 115.01 1cff s GLU 114 Ca 0.00 -0.62 0.11 0.00 -0.41 0.00 0.00 54.97 54.05 1cff s GLU 114 Cb 0.00 -1.94 0.46 0.00 -1.78 0.00 0.00 34.13 30.87 1cff s GLU 114 CO 0.00 -2.28 1.14 0.36 -0.49 0.00 0.00 175.26 173.99 1cff n LYS 115 N -3.61 3.00 -1.54 1.61 2.85 -1.26 -4.01 118.16 115.20 1cff n LYS 115 Ca 0.16 -4.03 -0.34 0.00 -1.05 0.00 0.00 58.31 53.05 1cff n LYS 115 Cb 0.60 -2.06 -0.05 0.00 -0.65 0.00 0.00 35.03 32.87 1cff n LYS 115 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1cff n LEU 116 N -0.59 2.01 0.00 -5.58 4.77 -1.26 -4.93 117.00 111.41 1cff n LEU 116 Ca 0.33 -0.54 -0.21 0.00 -0.03 0.00 0.00 56.01 55.56 1cff n LEU 116 Cb 0.86 -1.51 0.19 0.00 -2.33 0.00 0.00 43.42 40.63 1cff n LEU 116 CO 0.31 -1.60 0.27 0.35 -1.33 0.00 0.00 177.39 175.40 1cff n THR 117 N 8.00 0.00 0.24 -5.08 -2.24 -1.26 -4.31 114.28 109.64 1cff n THR 117 Ca 0.41 -0.07 0.11 0.00 -2.27 0.00 0.00 64.05 62.23 1cff n THR 117 Cb 0.48 -0.78 0.62 0.00 -2.10 0.00 0.00 70.33 68.55 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 -2.91 0.00 -0.03 3.42 3.58 -1.98 0.65 116.42 119.15 1cff h ASP 118 Ca -0.27 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.07 1cff h ASP 118 Cb 0.89 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.95 1cff h ASP 118 CO 0.17 0.17 -0.40 -0.33 -2.88 0.00 0.00 179.24 175.97 1cff h GLU 119 N 0.00 0.32 0.22 0.28 3.07 -1.99 -2.74 114.58 113.75 1cff h GLU 119 Ca -0.00 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 58.54 1cff h GLU 119 Cb 0.48 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1cff h GLU 119 CO 0.02 0.98 -0.11 0.93 -1.40 0.00 0.00 179.01 179.43 1cff h GLU 120 N -0.22 -0.29 -0.95 2.33 4.39 -1.81 -2.85 114.58 115.18 1cff h GLU 120 Ca -0.04 0.02 0.18 0.00 0.34 0.00 0.00 59.36 59.86 1cff h GLU 120 Cb 1.09 0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 29.72 1cff h GLU 120 CO 0.08 0.06 0.60 -0.24 -1.16 0.00 0.00 179.01 178.36 1cff h VAL 121 N -0.94 0.73 0.52 3.13 3.04 -1.03 0.59 116.25 122.29 1cff h VAL 121 Ca -0.03 -0.21 -0.03 0.00 -1.01 0.00 0.00 66.70 65.42 1cff h VAL 121 Cb 0.48 0.06 0.01 0.00 -2.01 0.00 0.00 31.29 29.83 1cff h VAL 121 CO 0.05 0.11 -0.25 -0.78 -1.01 0.00 0.00 177.57 175.69 1cff h ASP 122 N 0.62 -0.60 -0.61 3.17 3.58 -1.55 -2.87 116.42 118.16 1cff h ASP 122 Ca 0.51 -0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.83 1cff h ASP 122 Cb 0.97 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.15 1cff h ASP 122 CO -0.26 -0.22 0.09 -0.33 -2.88 0.00 0.00 179.24 175.64 1cff h GLU 123 N -1.04 1.02 -0.88 0.28 4.39 -1.20 -1.95 114.58 115.19 1cff h GLU 123 Ca -0.07 -0.28 0.14 0.00 0.34 0.00 0.00 59.36 59.49 1cff h GLU 123 Cb 0.61 -0.12 -0.09 0.00 -0.10 0.00 0.00 28.75 29.06 1cff h GLU 123 CO 0.12 0.96 0.49 0.00 -1.16 0.00 0.00 179.01 179.42 1cff h MET 124 N 0.93 0.70 0.00 2.33 -0.00 0.10 0.63 114.93 119.62 1cff h MET 124 Ca 0.18 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.84 1cff h MET 124 Cb 0.44 -0.16 0.00 0.00 -0.00 0.00 0.00 31.60 31.88 1cff h MET 124 CO 0.01 0.47 0.00 0.82 -0.00 0.00 0.00 176.91 178.21 1cff h ILE 125 N 0.73 0.00 0.04 -0.10 1.08 -1.30 0.23 117.51 118.19 1cff h ILE 125 Ca 0.47 -0.85 -0.13 0.00 -0.39 0.00 0.00 64.86 63.96 1cff h ILE 125 Cb 0.60 1.84 0.01 0.00 -3.07 0.00 0.00 36.82 36.21 1cff h ILE 125 CO -0.33 0.00 -0.53 0.03 -0.69 0.00 0.00 178.15 176.63 1cff h ARG 126 N 0.00 0.29 0.02 2.37 3.08 0.46 -1.10 114.38 119.50 1cff h ARG 126 Ca 0.00 -0.37 -0.21 0.00 0.07 0.00 0.00 59.98 59.47 1cff h ARG 126 Cb 0.89 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1cff h ARG 126 CO 0.00 1.09 -0.96 1.49 -1.07 0.00 0.00 179.97 180.52 1cff h GLU 127 N -0.34 0.16 -0.28 0.04 4.81 0.01 -3.17 114.58 115.80 1cff h GLU 127 Ca -0.08 -0.21 -0.11 0.00 -0.13 0.00 0.00 59.36 58.83 1cff h GLU 127 Cb 1.31 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.75 1cff h GLU 127 CO 0.10 1.00 -0.30 0.00 -0.73 0.00 0.00 179.01 179.08 1cff h ALA 128 N 0.92 0.95 -0.26 2.92 0.00 -0.60 -3.40 119.26 119.81 1cff h ALA 128 Ca -0.05 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1cff h ALA 128 Cb 1.63 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1cff h ALA 128 CO 0.14 0.61 0.36 -3.47 0.00 0.00 0.00 179.25 176.89 1cff n ASP 129 N -4.08 1.16 0.00 0.00 -0.08 -0.42 -4.79 116.55 108.33 1cff n ASP 129 Ca -0.01 -1.42 0.00 0.00 -1.51 0.00 0.00 54.79 51.85 1cff n ASP 129 Cb 0.45 -1.46 0.00 0.00 2.34 0.00 0.00 41.12 42.45 1cff n ASP 129 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1cff n ILE 130 N 8.21 0.00 -0.25 5.18 -0.00 -1.26 -3.39 119.36 127.85 1cff n ILE 130 Ca 0.49 1.38 0.05 0.00 -0.00 0.00 0.00 62.75 64.68 1cff n ILE 130 Cb 0.39 -2.38 0.16 0.00 -0.00 0.00 0.00 39.64 37.81 1cff n ILE 130 CO 0.00 0.00 0.00 -2.24 -0.00 0.00 0.00 176.55 174.31 1cff h ASP 131 N 0.00 -0.30 -1.46 4.38 3.04 -1.95 -3.47 116.42 116.66 1cff h ASP 131 Ca 0.00 0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.98 1cff h ASP 131 Cb 0.00 0.32 0.00 0.00 -1.04 0.00 0.00 39.33 38.61 1cff h ASP 131 CO 0.00 -0.16 0.00 0.61 -2.04 0.00 0.00 179.24 177.65 1cff n GLY 132 N -1.41 0.35 0.04 7.15 0.00 -1.22 -5.04 105.19 105.06 1cff n GLY 132 Ca 0.14 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.51 2.20 0.00 1.61 8.00 -1.26 -4.99 116.55 121.59 1cff n ASP 133 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1cff n ASP 133 Cb 0.24 1.03 0.00 0.00 -0.02 0.00 0.00 41.12 42.37 1cff n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cff n GLY 134 N 2.14 1.27 0.00 0.44 0.00 -1.26 -5.08 105.19 102.69 1cff n GLY 134 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.65 -3.57 1.61 7.27 -1.26 -4.96 117.38 117.11 1cff n GLN 135 Ca 0.00 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 56.80 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 2.03 -0.09 -0.06 1.69 1.01 -1.26 -4.59 120.40 119.12 1cff s VAL 136 Ca 0.00 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 1cff s VAL 136 Cb 0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 1cff s VAL 136 CO 0.00 -0.47 0.49 0.21 0.00 0.00 0.00 175.10 175.34 1cff s ASN 137 N 2.13 6.79 0.41 3.32 3.84 -1.26 -2.66 114.94 127.51 1cff s ASN 137 Ca 0.05 0.94 0.31 0.00 0.21 0.00 0.00 52.86 54.37 1cff s ASN 137 Cb -0.16 -2.30 1.39 0.00 -0.55 0.00 0.00 41.25 39.63 1cff s ASN 137 CO -0.21 0.10 1.44 0.00 -2.79 0.00 0.00 177.10 175.63 1cff n TYR 138 N 3.03 0.61 -0.23 0.43 9.36 -1.25 0.16 117.16 129.27 1cff n TYR 138 Ca -0.08 0.61 0.31 0.00 3.32 0.00 0.00 57.90 62.06 1cff n TYR 138 Cb 0.52 -1.04 0.73 0.00 -0.63 0.00 0.00 39.34 38.92 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 0.00 0.13 2.98 4.11 -1.94 0.54 114.58 120.40 1cff h GLU 139 Ca 0.81 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.91 1cff h GLU 139 Cb 2.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.91 1cff h GLU 139 CO -0.40 0.00 -1.75 0.93 0.07 0.00 0.00 179.01 177.85 1cff h GLU 140 N 0.00 0.27 -0.42 1.06 5.08 0.12 -2.68 114.58 118.00 1cff h GLU 140 Ca 0.48 -0.46 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 1cff h GLU 140 Cb 2.00 0.17 -0.09 0.00 0.50 0.00 0.00 28.75 31.32 1cff h GLU 140 CO -0.01 1.22 -0.30 0.35 -1.00 0.00 0.00 179.01 179.28 1cff h PHE 141 N -0.10 -0.81 -0.11 4.33 3.57 0.07 0.31 116.94 124.20 1cff h PHE 141 Ca -0.38 0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.10 1cff h PHE 141 Cb 1.93 0.42 0.00 0.00 2.79 0.00 0.00 35.95 41.08 1cff h PHE 141 CO 0.10 -0.36 -0.24 -0.39 -2.23 0.00 0.00 178.31 175.18 1cff h VAL 142 N -0.21 1.38 -0.92 1.41 -1.51 -0.88 -2.84 116.25 112.68 1cff h VAL 142 Ca 0.19 -1.53 0.27 0.00 -1.23 0.00 0.00 66.70 64.39 1cff h VAL 142 Cb 0.52 2.09 -0.04 0.00 -2.13 0.00 0.00 31.29 31.74 1cff h VAL 142 CO -0.55 0.45 0.68 1.56 -1.23 0.00 0.00 177.57 178.48 1cff h GLN 143 N -0.06 0.00 0.01 5.19 1.08 -1.02 1.44 115.11 121.75 1cff h GLN 143 Ca 0.00 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 1cff h GLN 143 Cb 0.84 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.28 1cff h GLN 143 CO 0.05 0.00 -0.60 1.98 -0.95 0.00 0.00 178.83 179.32 1cff h MET 144 N 0.00 0.38 0.00 1.46 4.05 -0.26 -2.80 114.93 117.76 1cff h MET 144 Ca 0.44 -0.43 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1cff h MET 144 Cb 1.78 0.12 0.00 0.00 -0.80 0.00 0.00 31.60 32.71 1cff h MET 144 CO -0.00 1.10 -0.19 1.98 0.23 0.00 0.00 176.91 180.02 1cff h MET 145 N -0.16 0.00 0.16 0.39 1.85 -0.51 -3.42 114.93 113.25 1cff h MET 145 Ca -0.08 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.00 1cff h MET 145 Cb 1.32 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.35 1cff h MET 145 CO 0.12 0.00 -0.07 1.79 -0.40 0.00 0.00 176.91 178.34 1cff h THR 146 N -0.48 0.98 -3.17 -0.77 1.35 0.16 -3.50 112.91 107.49 1cff h THR 146 Ca 0.00 -0.81 0.36 0.00 -0.55 0.00 0.00 66.41 65.41 1cff h THR 146 Cb 0.19 1.46 -0.13 0.00 -1.73 0.00 0.00 68.15 67.95 1cff h THR 146 CO 0.00 0.18 -0.80 0.00 -0.25 0.00 0.00 175.52 174.65 1cff n ALA 147 N -2.41 -3.57 0.00 6.62 0.00 0.05 -4.95 120.51 116.25 1cff n ALA 147 Ca -0.09 0.63 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1cff n ALA 147 Cb 0.24 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1cff n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13