#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 4.93 0.31 0.00 -1.08 -1.26 -5.09 116.67 114.48 1cff s ASP 2 Ca 0.00 -1.78 0.10 0.00 -0.52 0.00 0.00 52.55 50.35 1cff s ASP 2 Cb 0.00 -1.71 -0.05 0.00 -1.46 0.00 0.00 42.92 39.69 1cff s ASP 2 CO 0.00 -0.38 -0.09 -1.10 0.52 0.00 0.00 175.17 174.12 1cff s GLN 3 N 1.10 1.90 -0.18 4.34 -0.21 -1.26 -5.15 119.66 120.21 1cff s GLN 3 Ca 0.03 -1.78 -0.30 0.00 0.02 0.00 0.00 55.36 53.34 1cff s GLN 3 Cb -0.21 -1.84 0.14 0.00 1.00 0.00 0.00 33.01 32.11 1cff s GLN 3 CO -0.04 0.22 1.07 -0.48 -2.12 0.00 0.00 175.29 173.94 1cff s LEU 4 N -3.61 -0.30 0.30 2.90 -0.00 -1.26 -5.14 118.68 111.57 1cff s LEU 4 Ca 0.32 0.30 -0.29 0.00 -0.00 0.00 0.00 54.13 54.47 1cff s LEU 4 Cb -0.02 1.71 -0.10 0.00 -0.00 0.00 0.00 46.19 47.78 1cff s LEU 4 CO 0.17 -0.29 1.37 0.42 -0.00 0.00 0.00 176.35 178.03 1cff s THR 5 N -1.21 2.64 -0.64 5.48 -4.23 -1.26 -4.91 115.64 111.51 1cff s THR 5 Ca 0.01 0.60 0.23 0.00 -1.18 0.00 0.00 61.69 61.35 1cff s THR 5 Cb -0.01 -3.38 -0.07 0.00 1.34 0.00 0.00 72.50 70.38 1cff s THR 5 CO -0.01 0.12 1.11 -0.62 -0.54 0.00 0.00 174.62 174.68 1cff n GLU 6 N 1.39 0.27 0.15 3.99 1.02 -1.26 -3.86 120.64 122.34 1cff n GLU 6 Ca 0.03 0.02 -0.06 0.00 -0.02 0.00 0.00 57.16 57.12 1cff n GLU 6 Cb 0.41 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 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 -0.38 0.17 3.49 4.81 -1.99 -2.27 114.58 118.41 1cff h GLU 7 Ca 0.00 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1cff h GLU 7 Cb 0.72 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1cff h GLU 7 CO 0.00 -0.26 -0.08 1.96 -0.73 0.00 0.00 179.01 179.90 1cff h GLN 8 N -0.56 -0.22 -0.66 1.92 4.20 -2.01 -3.23 115.11 114.56 1cff h GLN 8 Ca -0.04 0.02 0.14 0.00 0.06 0.00 0.00 58.65 58.83 1cff h GLN 8 Cb 0.31 0.05 -0.11 0.00 0.30 0.00 0.00 27.48 28.02 1cff h GLN 8 CO 0.07 0.17 -0.01 0.97 -0.67 0.00 0.00 178.83 179.36 1cff h ILE 9 N -0.70 0.43 -1.06 2.54 2.10 -1.74 0.55 117.51 119.63 1cff h ILE 9 Ca -0.02 -0.04 0.30 0.00 1.08 0.00 0.00 64.86 66.18 1cff h ILE 9 Cb 0.50 0.32 -0.12 0.00 -1.09 0.00 0.00 36.82 36.43 1cff h ILE 9 CO 0.04 0.02 0.65 0.00 -1.08 0.00 0.00 178.15 177.78 1cff h ALA 10 N 1.61 2.12 -0.43 0.18 0.00 -1.43 1.32 119.26 122.63 1cff h ALA 10 Ca 0.35 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.43 1cff h ALA 10 Cb 0.58 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1cff h ALA 10 CO -0.58 -0.63 0.15 0.93 0.00 0.00 0.00 179.25 179.11 1cff h GLU 11 N 0.38 0.30 -0.56 0.00 5.08 0.09 0.97 114.58 120.84 1cff h GLU 11 Ca 0.68 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 59.07 1cff h GLU 11 Cb 1.64 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.79 1cff h GLU 11 CO -0.44 0.20 0.37 0.35 -1.00 0.00 0.00 179.01 178.49 1cff h PHE 12 N 0.31 0.56 -0.19 4.33 3.57 0.18 0.61 116.94 126.30 1cff h PHE 12 Ca 0.20 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 1cff h PHE 12 Cb 0.20 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1cff h PHE 12 CO -0.16 0.31 -0.14 -0.22 -2.23 0.00 0.00 178.31 175.87 1cff h LYS 13 N 0.56 0.32 -0.87 1.11 3.11 0.27 0.12 116.57 121.19 1cff h LYS 13 Ca 0.23 -0.08 0.10 0.00 -2.81 0.00 0.00 60.65 58.10 1cff h LYS 13 Cb 0.22 -0.04 -0.08 0.00 -1.00 0.00 0.00 32.23 31.33 1cff h LYS 13 CO -0.07 0.46 0.51 1.05 -2.81 0.00 0.00 179.45 178.59 1cff h GLU 14 N 0.30 0.81 0.11 1.90 4.11 0.62 0.85 114.58 123.29 1cff h GLU 14 Ca 0.06 -0.05 -0.16 0.00 0.07 0.00 0.00 59.36 59.28 1cff h GLU 14 Cb 0.43 -0.18 0.02 0.00 0.50 0.00 0.00 28.75 29.51 1cff h GLU 14 CO 0.03 0.54 -0.68 0.00 0.07 0.00 0.00 179.01 178.96 1cff h ALA 15 N 1.48 -0.06 -0.07 1.06 0.00 -1.21 -2.00 119.26 118.46 1cff h ALA 15 Ca 0.42 -0.65 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1cff h ALA 15 Cb 0.40 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1cff h ALA 15 CO -0.25 0.32 0.22 0.35 0.00 0.00 0.00 179.25 179.88 1cff h PHE 16 N -0.43 0.00 0.00 0.00 3.57 -0.00 2.64 116.94 122.72 1cff h PHE 16 Ca -0.12 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.11 1cff h PHE 16 Cb 1.52 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.21 1cff h PHE 16 CO 0.20 0.00 -1.82 0.43 -2.23 0.00 0.00 178.31 174.89 1cff n SER 17 N -3.22 0.63 -0.10 0.41 7.64 0.29 -3.97 113.62 115.31 1cff n SER 17 Ca -0.01 0.29 -0.20 0.00 1.01 0.00 0.00 58.87 59.96 1cff n SER 17 Cb 0.30 0.31 -0.11 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.00 0.00 -1.88 -3.43 3.38 0.08 -3.35 115.31 110.11 1cff h LEU 18 Ca -0.32 -0.55 0.37 0.00 0.09 0.00 0.00 57.88 57.48 1cff h LEU 18 Cb 1.95 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.65 1cff h LEU 18 CO 0.06 1.39 0.99 0.15 0.09 0.00 0.00 178.44 181.12 1cff h PHE 19 N -1.00 0.00 -0.25 1.13 3.04 0.42 1.15 116.94 121.44 1cff h PHE 19 Ca -0.29 0.00 0.07 0.00 3.98 0.00 0.00 57.97 61.73 1cff h PHE 19 Cb 1.23 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.73 1cff h PHE 19 CO 0.11 0.00 0.27 0.22 -2.02 0.00 0.00 178.31 176.88 1cff h ASP 20 N 0.00 0.00 -6.52 0.41 3.58 -1.69 -3.46 116.42 108.74 1cff h ASP 20 Ca 0.60 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 57.55 1cff h ASP 20 Cb 2.57 0.00 0.01 0.00 1.72 0.00 0.00 39.33 43.63 1cff h ASP 20 CO -0.01 0.00 -0.95 1.17 -2.88 0.00 0.00 179.24 176.58 1cff n LYS 21 N -3.81 -1.50 0.00 0.28 4.81 0.40 -4.64 118.16 113.69 1cff n LYS 21 Ca 0.03 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 1cff n LYS 21 Cb 0.40 -3.81 0.00 0.00 0.02 0.00 0.00 35.03 31.65 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 -2.64 0.00 -0.39 3.14 5.68 -1.26 -4.97 116.55 116.10 1cff n ASP 22 Ca -0.17 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 1cff n ASP 22 Cb 0.62 0.00 0.00 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 -0.29 0.57 0.05 6.12 0.00 -1.26 -5.02 105.19 105.36 1cff n GLY 23 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.23 2.73 0.00 1.61 2.03 -1.26 -5.01 116.55 116.42 1cff n ASP 24 Ca 0.00 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1cff n ASP 24 Cb 0.22 0.53 0.00 0.00 -0.72 0.00 0.00 41.12 41.15 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 2.52 0.85 2.95 0.27 0.00 -1.26 -5.04 105.19 105.48 1cff n GLY 25 Ca -0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.66 0.39 -0.58 2.61 -4.23 -1.26 -4.68 115.64 105.24 1cff s THR 26 Ca 0.00 -0.20 -0.22 0.00 -1.18 0.00 0.00 61.69 60.09 1cff s THR 26 Cb 0.00 -0.34 0.06 0.00 1.34 0.00 0.00 72.50 73.56 1cff s THR 26 CO 0.00 0.12 0.83 -0.63 -0.54 0.00 0.00 174.62 174.40 1cff s ILE 27 N -0.05 4.55 0.37 2.99 -1.09 -0.84 -4.86 121.20 122.27 1cff s ILE 27 Ca 0.01 -0.28 0.08 0.00 -2.23 0.00 0.00 60.65 58.23 1cff s ILE 27 Cb -0.03 -4.51 -0.06 0.00 -1.58 0.00 0.00 42.46 36.28 1cff s ILE 27 CO -0.00 -1.14 0.08 -0.89 -1.23 0.00 0.00 174.94 171.76 1cff s THR 28 N 3.48 2.48 0.59 2.92 2.01 -1.26 -1.68 115.64 124.17 1cff s THR 28 Ca 0.21 -1.86 0.29 0.00 0.31 0.00 0.00 61.69 60.64 1cff s THR 28 Cb -0.17 -2.90 0.38 0.00 0.01 0.00 0.00 72.50 69.82 1cff s THR 28 CO 0.13 -0.11 1.82 0.71 -0.69 0.00 0.00 174.62 176.48 1cff h THR 29 N 1.65 0.30 0.09 -0.82 1.35 -1.94 0.22 112.91 113.77 1cff h THR 29 Ca -0.43 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.45 1cff h THR 29 Cb 1.25 0.54 -0.03 0.00 -1.73 0.00 0.00 68.15 68.17 1cff h THR 29 CO 0.69 0.00 -0.25 0.50 -0.25 0.00 0.00 175.52 176.22 1cff h LYS 30 N 0.00 -0.42 0.14 4.72 3.64 -1.97 1.07 116.57 123.75 1cff h LYS 30 Ca 0.25 0.03 -0.33 0.00 -1.27 0.00 0.00 60.65 59.33 1cff h LYS 30 Cb 1.40 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.31 1cff h LYS 30 CO -0.00 -0.28 -1.71 1.05 -2.27 0.00 0.00 179.45 176.24 1cff h GLU 31 N -0.44 0.29 -0.14 1.90 9.09 -1.44 -2.77 114.58 121.06 1cff h GLU 31 Ca 0.04 -0.49 -0.02 0.00 0.05 0.00 0.00 59.36 58.94 1cff h GLU 31 Cb 0.47 0.18 -0.01 0.00 -1.65 0.00 0.00 28.75 27.75 1cff h GLU 31 CO -0.16 1.23 0.01 1.25 0.05 0.00 0.00 179.01 181.40 1cff h LEU 32 N -0.09 0.18 0.24 3.06 7.12 -0.65 -2.56 115.31 122.61 1cff h LEU 32 Ca -0.36 -0.02 -0.32 0.00 0.13 0.00 0.00 57.88 57.31 1cff h LEU 32 Cb 1.93 -0.05 0.04 0.00 -0.53 0.00 0.00 40.66 42.05 1cff h LEU 32 CO 0.09 0.21 -1.44 1.23 -0.13 0.00 0.00 178.44 178.40 1cff h GLY 33 N 0.40 0.58 0.05 3.75 0.00 0.11 -2.74 103.07 105.22 1cff h GLY 33 Ca 0.05 -1.49 0.21 0.00 0.00 0.00 0.00 47.33 46.10 1cff h GLY 33 CO 0.00 1.30 0.61 -0.84 0.00 0.00 0.00 176.54 177.62 1cff h THR 34 N 0.09 0.65 0.17 4.70 2.02 -1.16 0.66 112.91 120.03 1cff h THR 34 Ca -0.25 -0.23 -0.30 0.00 0.77 0.00 0.00 66.41 66.40 1cff h THR 34 Cb 2.11 -0.09 0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1cff h THR 34 CO 0.26 0.12 -1.31 0.58 0.37 0.00 0.00 175.52 175.54 1cff h VAL 35 N 0.68 1.38 0.00 3.16 2.07 -1.59 -2.08 116.25 119.87 1cff h VAL 35 Ca 0.59 -2.80 0.00 0.00 0.82 0.00 0.00 66.70 65.31 1cff h VAL 35 Cb 1.04 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.71 1cff h VAL 35 CO -0.39 0.83 0.00 0.80 0.02 0.00 0.00 177.57 178.83 1cff n MET 36 N -3.65 0.11 -0.06 1.57 1.56 0.06 0.55 117.12 117.25 1cff n MET 36 Ca -0.12 0.51 -0.07 0.00 -0.27 0.00 0.00 57.70 57.75 1cff n MET 36 Cb 1.03 -1.80 -0.09 0.00 2.15 0.00 0.00 33.22 34.51 1cff n MET 36 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 1cff n ARG 37 N -2.03 1.59 0.05 2.12 0.00 -0.23 -0.70 116.66 117.44 1cff n ARG 37 Ca 0.00 0.02 0.12 0.00 -0.00 0.00 0.00 57.85 57.99 1cff n ARG 37 Cb 0.10 -1.31 0.11 0.00 0.00 0.00 0.00 32.46 31.35 1cff n ARG 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1cff n SER 38 N -2.58 0.66 0.04 6.15 7.64 -0.79 -3.73 113.62 121.00 1cff n SER 38 Ca -0.22 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.64 1cff n SER 38 Cb 0.87 0.44 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 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 -2.05 0.34 0.29 -3.43 7.99 0.19 -4.75 117.00 115.57 1cff n LEU 39 Ca 0.03 0.12 0.18 0.00 -0.01 0.00 0.00 56.01 56.33 1cff n LEU 39 Cb 0.44 -0.05 0.98 0.00 -0.11 0.00 0.00 43.42 44.68 1cff n LEU 39 CO 0.38 -0.63 1.15 1.23 -1.51 0.00 0.00 177.39 178.01 1cff h GLY 40 N 0.00 0.00 -0.46 -0.72 0.00 -1.30 -3.45 103.07 97.14 1cff h GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1cff h GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1cff n GLN 41 N -3.47 -0.02 0.03 4.80 10.64 0.12 -3.66 117.38 125.82 1cff n GLN 41 Ca -0.02 -0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 1cff n GLN 41 Cb 0.19 0.02 0.00 0.00 -0.86 0.00 0.00 30.24 29.58 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 0.05 -0.47 -4.09 2.61 5.03 -1.26 -5.05 115.26 112.09 1cff n ASN 42 Ca 0.00 0.43 -0.37 0.00 0.87 0.00 0.00 54.58 55.51 1cff n ASN 42 Cb 0.00 0.78 0.08 0.00 -1.02 0.00 0.00 39.78 39.61 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 -2.82 -0.55 -1.92 3.52 -0.02 -1.24 -4.91 135.00 127.06 1cff n PRO 43 Ca 0.00 -0.15 -0.33 0.00 -2.02 0.00 0.00 63.50 60.99 1cff n PRO 43 Cb 0.00 -1.23 0.03 0.00 -0.02 0.00 0.00 33.50 32.28 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 -2.08 3.44 0.29 3.45 -4.23 -1.26 -4.95 115.64 110.31 1cff s THR 44 Ca 0.42 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 1cff s THR 44 Cb 0.04 -3.22 0.14 0.00 1.34 0.00 0.00 72.50 70.79 1cff s THR 44 CO 0.66 -0.38 1.82 -0.08 -0.54 0.00 0.00 174.62 176.09 1cff h GLU 45 N 0.32 0.71 0.00 3.99 4.22 -2.00 -2.81 114.58 119.02 1cff h GLU 45 Ca -0.47 -0.16 -0.11 0.00 0.08 0.00 0.00 59.36 58.69 1cff h GLU 45 Cb 1.24 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1cff h GLU 45 CO 0.56 0.70 -0.79 0.00 -2.18 0.00 0.00 179.01 177.30 1cff h ALA 46 N 1.37 0.67 -1.00 2.92 0.00 -2.02 -3.34 119.26 117.85 1cff h ALA 46 Ca 0.14 -0.52 0.31 0.00 0.00 0.00 0.00 54.91 54.85 1cff h ALA 46 Cb 0.36 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.05 1cff h ALA 46 CO 0.01 0.64 0.56 1.49 0.00 0.00 0.00 179.25 181.95 1cff h GLU 47 N 0.00 0.33 -0.79 0.00 4.81 -1.87 1.29 114.58 118.35 1cff h GLU 47 Ca -0.05 -0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.33 1cff h GLU 47 Cb 1.40 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.65 1cff h GLU 47 CO 0.05 0.22 0.53 1.37 -0.73 0.00 0.00 179.01 180.45 1cff h LEU 48 N 0.34 0.34 -0.74 1.64 8.10 -1.71 1.14 115.31 124.42 1cff h LEU 48 Ca 0.72 0.02 -0.13 0.00 0.11 0.00 0.00 57.88 58.60 1cff h LEU 48 Cb 1.62 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 41.79 1cff h LEU 48 CO -0.60 0.16 -0.54 -0.61 -4.11 0.00 0.00 178.44 172.75 1cff h GLN 49 N 0.35 0.25 0.00 0.17 4.15 0.14 0.16 115.11 120.33 1cff h GLN 49 Ca 0.39 -0.15 -0.16 0.00 0.77 0.00 0.00 58.65 59.50 1cff h GLN 49 Cb 1.01 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.69 1cff h GLN 49 CO -0.12 0.73 -0.77 0.22 -1.93 0.00 0.00 178.83 176.96 1cff h ASP 50 N 0.19 0.00 1.09 -0.69 1.82 0.12 0.56 116.42 119.51 1cff h ASP 50 Ca 0.00 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.51 1cff h ASP 50 Cb 1.01 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.00 1cff h ASP 50 CO 0.08 0.77 -0.61 -0.03 -1.61 0.00 0.00 179.24 177.84 1cff h MET 51 N 0.00 0.00 0.06 0.28 4.05 0.13 -2.21 114.93 117.25 1cff h MET 51 Ca -0.01 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 59.08 1cff h MET 51 Cb 1.38 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.15 1cff h MET 51 CO 0.10 0.61 -1.87 -0.89 0.23 0.00 0.00 176.91 175.09 1cff n ILE 52 N -3.41 1.70 0.14 1.77 2.08 0.50 -4.15 119.36 118.00 1cff n ILE 52 Ca 0.01 -0.72 -0.00 0.00 0.56 0.00 0.00 62.75 62.59 1cff n ILE 52 Cb 0.72 -1.39 0.17 0.00 -0.75 0.00 0.00 39.64 38.38 1cff n ILE 52 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 1cff h ASN 53 N 0.04 0.00 0.31 4.38 -1.24 0.06 -2.89 115.58 116.24 1cff h ASN 53 Ca -0.36 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.63 1cff h ASN 53 Cb 2.03 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 41.07 1cff h ASN 53 CO 0.08 0.60 -0.09 -0.08 -1.29 0.00 0.00 177.43 176.65 1cff h GLU 54 N 0.00 0.00 -0.01 6.67 4.81 -1.55 -1.66 114.58 122.84 1cff h GLU 54 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1cff h GLU 54 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1cff h GLU 54 CO 0.08 0.09 -0.71 0.28 -0.73 0.00 0.00 179.01 178.02 1cff n VAL 55 N -3.64 0.00 -0.49 0.32 0.31 -1.13 -4.71 118.33 108.99 1cff n VAL 55 Ca -0.02 -0.12 -0.16 0.00 -0.01 0.00 0.00 64.34 64.03 1cff n VAL 55 Cb 0.21 1.06 -0.02 0.00 -0.91 0.00 0.00 33.84 34.18 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 -0.78 2.93 -0.33 4.52 8.00 -0.63 -4.51 116.55 125.75 1cff n ASP 56 Ca 0.07 -2.23 -0.00 0.00 0.71 0.00 0.00 54.79 53.34 1cff n ASP 56 Cb 0.40 -0.87 0.13 0.00 -0.02 0.00 0.00 41.12 40.76 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 7.11 1.22 0.00 2.24 0.00 -1.84 -2.21 119.26 125.78 1cff h ALA 57 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1cff h ALA 57 Cb 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1cff h ALA 57 CO 1.33 0.41 -1.58 -0.40 0.00 0.00 0.00 179.25 179.01 1cff n ASP 58 N -4.53 0.60 -3.77 0.00 5.68 -1.26 -5.03 116.55 108.23 1cff n ASP 58 Ca 0.12 -0.32 -0.25 0.00 -0.50 0.00 0.00 54.79 53.85 1cff n ASP 58 Cb 0.12 1.61 0.00 0.00 -1.14 0.00 0.00 41.12 41.71 1cff n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cff n GLY 59 N 1.40 -1.26 0.07 6.12 0.00 -0.83 -4.89 105.19 105.79 1cff n GLY 59 Ca -0.01 0.58 -0.03 0.00 0.00 0.00 0.00 46.02 46.56 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 -2.53 0.25 0.00 1.61 6.94 -1.26 -4.99 115.26 115.28 1cff n ASN 60 Ca -0.31 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.25 1cff n ASN 60 Cb 0.67 1.29 0.00 0.00 -2.36 0.00 0.00 39.78 39.38 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 1.65 1.33 0.00 4.83 0.00 -1.26 -5.15 105.19 106.59 1cff n GLY 61 Ca -0.22 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 0.00 -2.79 2.61 -2.24 -1.26 -4.99 114.28 105.61 1cff n THR 62 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1cff n THR 62 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 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 -2.39 4.54 0.08 2.28 -1.09 -0.68 -4.88 121.20 119.07 1cff s ILE 63 Ca 0.00 1.16 0.04 0.00 -2.23 0.00 0.00 60.65 59.62 1cff s ILE 63 Cb 0.00 -4.37 -0.04 0.00 -1.58 0.00 0.00 42.46 36.47 1cff s ILE 63 CO 0.00 -0.60 0.01 1.51 -1.23 0.00 0.00 174.94 174.63 1cff s ASP 64 N 1.95 5.13 0.21 3.58 -4.77 -1.26 -1.99 116.67 119.52 1cff s ASP 64 Ca 0.39 -0.13 -0.20 0.00 -3.30 0.00 0.00 52.55 49.30 1cff s ASP 64 Cb -0.11 -1.26 0.16 0.00 -1.09 0.00 0.00 42.92 40.62 1cff s ASP 64 CO 0.20 0.18 1.57 0.15 0.70 0.00 0.00 175.17 177.97 1cff h PHE 65 N 3.47 -1.09 -0.89 2.11 3.57 -1.96 -0.39 116.94 121.76 1cff h PHE 65 Ca -0.48 0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.12 1cff h PHE 65 Cb 1.16 0.59 -0.04 0.00 2.79 0.00 0.00 35.95 40.46 1cff h PHE 65 CO 0.61 -0.40 0.55 -1.00 -2.23 0.00 0.00 178.31 175.84 1cff h PRO 66 N -0.08 1.19 0.01 6.41 0.13 -1.98 -0.31 132.00 137.37 1cff h PRO 66 Ca 0.28 -0.10 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1cff h PRO 66 Cb 0.57 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 31.44 1cff h PRO 66 CO -0.85 0.82 -0.01 1.05 -0.23 0.00 0.00 178.00 178.79 1cff h GLU 67 N 1.21 -0.02 -0.03 0.86 4.11 -1.70 -2.61 114.58 116.41 1cff h GLU 67 Ca 0.32 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.76 1cff h GLU 67 Cb -0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1cff h GLU 67 CO -0.06 0.70 0.02 0.35 0.07 0.00 0.00 179.01 180.09 1cff h PHE 68 N -0.77 0.00 -0.19 2.06 3.04 -1.13 -1.72 116.94 118.25 1cff h PHE 68 Ca -0.00 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 1cff h PHE 68 Cb 0.73 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 1cff h PHE 68 CO 0.18 0.00 -0.02 1.25 -2.02 0.00 0.00 178.31 177.70 1cff h LEU 69 N 0.00 0.34 -0.83 0.59 5.85 -1.03 -2.81 115.31 117.42 1cff h LEU 69 Ca 0.01 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1cff h LEU 69 Cb 0.06 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1cff h LEU 69 CO -0.00 0.59 0.48 0.71 -0.34 0.00 0.00 178.44 179.88 1cff h THR 70 N 0.08 1.24 -0.28 1.05 1.35 -0.93 0.37 112.91 115.79 1cff h THR 70 Ca 0.05 -0.56 0.02 0.00 -0.55 0.00 0.00 66.41 65.37 1cff h THR 70 Cb 0.43 0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 66.93 1cff h THR 70 CO 0.01 0.26 0.13 -0.03 -0.25 0.00 0.00 175.52 175.65 1cff h MET 71 N 1.15 0.28 0.00 4.72 1.85 -1.39 0.37 114.93 121.91 1cff h MET 71 Ca 0.29 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.37 1cff h MET 71 Cb -0.00 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 31.96 1cff h MET 71 CO -0.05 0.18 -0.05 0.52 -0.40 0.00 0.00 176.91 177.11 1cff h MET 72 N 0.29 0.00 0.03 0.39 2.86 -1.28 -3.26 114.93 113.95 1cff h MET 72 Ca 0.11 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.51 1cff h MET 72 Cb 0.04 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1cff h MET 72 CO -0.08 0.00 -1.26 0.00 1.06 0.00 0.00 176.91 176.62 1cff h ALA 73 N 2.03 0.42 0.00 6.32 0.00 0.28 -3.28 119.26 125.02 1cff h ALA 73 Ca 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 54.91 53.83 1cff h ALA 73 Cb 0.99 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1cff h ALA 73 CO 0.00 1.29 -0.05 -0.09 0.00 0.00 0.00 179.25 180.40 1cff h ARG 74 N 0.02 0.00 -2.18 0.00 2.43 -0.32 -3.42 114.38 110.91 1cff h ARG 74 Ca -0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1cff h ARG 74 Cb 1.88 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 31.20 1cff h ARG 74 CO 0.13 0.05 -0.15 -1.59 -1.51 0.00 0.00 179.97 176.89 1cff s LYS 75 N -3.93 0.55 -0.05 0.20 -2.85 -1.23 -5.05 119.74 107.37 1cff s LYS 75 Ca -0.02 1.22 -0.03 0.00 -1.00 0.00 0.00 55.97 56.15 1cff s LYS 75 Cb 0.11 0.43 -0.02 0.00 -2.06 0.00 0.00 37.83 36.29 1cff s LYS 75 CO 0.53 -0.19 -0.07 -1.33 0.10 0.00 0.00 175.35 174.39 1cff n MET 76 N 4.93 0.11 -0.00 1.78 2.81 -1.26 -4.68 117.12 120.81 1cff n MET 76 Ca -0.15 0.05 -0.01 0.00 -1.81 0.00 0.00 57.70 55.78 1cff n MET 76 Cb 0.53 -0.69 -0.00 0.00 -0.71 0.00 0.00 33.22 32.35 1cff n MET 76 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1cff n LYS 77 N -3.27 0.05 0.00 0.03 4.76 -1.26 -5.11 118.16 113.36 1cff n LYS 77 Ca -0.10 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 1cff n LYS 77 Cb 0.55 -0.40 0.00 0.00 -1.84 0.00 0.00 35.03 33.34 1cff n LYS 77 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1cff n ASP 78 N -2.79 0.00 -1.89 4.39 9.92 -1.26 -5.14 116.55 119.77 1cff n ASP 78 Ca -0.01 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.22 1cff n ASP 78 Cb 0.05 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.51 1cff n ASP 78 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1cff n THR 79 N 0.00 -6.61 0.00 -3.53 -2.24 -1.26 -4.92 114.28 95.72 1cff n THR 79 Ca 0.00 1.02 0.00 0.00 -2.27 0.00 0.00 64.05 62.80 1cff n THR 79 Cb 0.00 -4.61 0.00 0.00 -2.10 0.00 0.00 70.33 63.62 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 0.62 0.00 -1.92 3.42 -0.08 -1.26 -5.10 116.55 112.23 1cff n ASP 80 Ca -0.16 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.12 1cff n ASP 80 Cb 0.24 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.70 1cff n ASP 80 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1cff n SER 81 N 0.00 -5.83 -4.76 1.67 2.88 -1.26 -4.95 113.62 101.36 1cff n SER 81 Ca 0.00 1.14 -0.36 0.00 -1.33 0.00 0.00 58.87 58.32 1cff n SER 81 Cb 0.00 -3.71 0.01 0.00 -0.75 0.00 0.00 64.21 59.76 1cff n SER 81 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1cff s GLU 82 N -1.06 3.31 -0.13 -1.46 2.12 -1.26 -4.98 118.70 115.23 1cff s GLU 82 Ca -0.03 1.76 -0.01 0.00 0.36 0.00 0.00 54.97 57.05 1cff s GLU 82 Cb 0.00 -2.09 -0.08 0.00 0.26 0.00 0.00 34.13 32.23 1cff s GLU 82 CO 0.09 -0.92 -0.13 0.39 -0.54 0.00 0.00 175.26 174.15 1cff n GLU 83 N -1.19 0.31 0.05 4.30 1.02 -1.26 -4.52 120.64 119.35 1cff n GLU 83 Ca 0.11 0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 57.22 1cff n GLU 83 Cb 0.49 -1.19 -0.13 0.00 -0.02 0.00 0.00 31.44 30.59 1cff n GLU 83 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1cff h GLU 84 N -0.11 0.12 -1.14 3.49 4.81 -2.05 -3.28 114.58 116.42 1cff h GLU 84 Ca -0.30 -0.21 -0.55 0.00 -0.13 0.00 0.00 59.36 58.18 1cff h GLU 84 Cb 1.41 0.08 -0.24 0.00 0.63 0.00 0.00 28.75 30.62 1cff h GLU 84 CO -0.08 0.98 0.71 -0.89 -0.73 0.00 0.00 179.01 178.99 1cff n ILE 85 N -3.36 3.29 0.27 2.32 5.41 -1.26 -4.51 119.36 121.52 1cff n ILE 85 Ca -0.10 -2.38 0.06 0.00 1.00 0.00 0.00 62.75 61.34 1cff n ILE 85 Cb 1.01 -1.11 0.30 0.00 -0.71 0.00 0.00 39.64 39.12 1cff n ILE 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1cff n ARG 86 N -0.58 0.06 -0.06 0.38 0.63 -1.24 -0.91 116.66 114.94 1cff n ARG 86 Ca 0.52 0.42 -0.08 0.00 -0.92 0.00 0.00 57.85 57.80 1cff n ARG 86 Cb 0.77 -1.65 -0.06 0.00 0.45 0.00 0.00 32.46 31.97 1cff n ARG 86 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1cff h GLU 87 N 0.00 0.00 0.00 -0.14 4.39 -1.91 -2.32 114.58 114.60 1cff h GLU 87 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1cff h GLU 87 Cb 0.15 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1cff h GLU 87 CO 0.00 0.49 -0.25 0.00 -1.16 0.00 0.00 179.01 178.09 1cff h ALA 88 N -0.55 1.52 -0.40 3.43 0.00 -1.88 0.86 119.26 122.24 1cff h ALA 88 Ca -0.03 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1cff h ALA 88 Cb 0.56 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1cff h ALA 88 CO -0.02 0.31 -0.13 0.35 0.00 0.00 0.00 179.25 179.76 1cff h PHE 89 N 0.00 0.90 0.00 0.00 3.57 -1.12 -1.24 116.94 119.05 1cff h PHE 89 Ca -0.00 -0.21 -0.09 0.00 3.53 0.00 0.00 57.97 61.20 1cff h PHE 89 Cb 0.46 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1cff h PHE 89 CO 0.00 0.94 -0.95 0.00 -2.23 0.00 0.00 178.31 176.07 1cff h ARG 90 N 0.60 0.00 0.00 1.11 2.47 -0.99 -2.69 114.38 114.89 1cff h ARG 90 Ca 0.10 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.74 1cff h ARG 90 Cb 0.67 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.98 1cff h ARG 90 CO 0.05 0.22 -0.35 0.28 0.56 0.00 0.00 179.97 180.73 1cff h VAL 91 N 0.00 0.85 0.00 2.04 2.07 0.83 -3.18 116.25 118.86 1cff h VAL 91 Ca -0.07 -1.42 -0.24 0.00 0.82 0.00 0.00 66.70 65.79 1cff h VAL 91 Cb 1.31 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.91 1cff h VAL 91 CO 0.03 0.34 -2.15 0.49 0.02 0.00 0.00 177.57 176.30 1cff n PHE 92 N -3.54 0.14 0.63 1.57 3.72 -0.48 -4.29 117.46 115.21 1cff n PHE 92 Ca -0.00 0.05 0.10 0.00 -0.05 0.00 0.00 57.45 57.55 1cff n PHE 92 Cb 0.48 -0.87 0.44 0.00 -0.94 0.00 0.00 39.48 38.59 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 -2.64 0.21 0.00 4.37 -0.08 -1.01 -4.65 116.55 112.75 1cff n ASP 93 Ca -0.22 0.54 0.00 0.00 -1.51 0.00 0.00 54.79 53.60 1cff n ASP 93 Cb 0.96 -0.59 0.00 0.00 2.34 0.00 0.00 41.12 43.83 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 -1.72 0.00 0.03 -0.67 4.81 -1.20 -0.12 118.16 119.28 1cff n LYS 94 Ca 0.04 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.38 1cff n LYS 94 Cb 0.25 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.27 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 -0.54 0.00 3.14 3.04 -1.91 -3.47 116.42 116.68 1cff h ASP 95 Ca 0.00 0.09 0.00 0.00 -3.24 0.00 0.00 57.03 53.88 1cff h ASP 95 Cb 0.00 0.24 0.00 0.00 -1.04 0.00 0.00 39.33 38.53 1cff h ASP 95 CO 0.00 -0.24 0.00 0.61 -2.04 0.00 0.00 179.24 177.57 1cff n GLY 96 N -1.32 0.67 0.65 7.15 0.00 0.82 -5.10 105.19 108.08 1cff n GLY 96 Ca -0.04 -0.42 -0.05 0.00 0.00 0.00 0.00 46.02 45.51 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 1.37 0.00 1.61 4.13 -1.26 -5.06 115.26 116.05 1cff n ASN 97 Ca 0.00 0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.47 1cff n ASN 97 Cb 0.00 -0.48 0.00 0.00 -1.54 0.00 0.00 39.78 37.76 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 2.61 1.17 3.65 7.41 0.00 -1.26 -5.13 105.19 113.63 1cff n GLY 98 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.03 2.86 -0.59 1.61 2.02 -1.26 -3.39 117.35 118.57 1cff s TYR 99 Ca 0.00 -0.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.63 1cff s TYR 99 Cb 0.00 -1.45 0.15 0.00 -0.40 0.00 0.00 41.96 40.26 1cff s TYR 99 CO 0.00 0.48 0.35 0.42 -1.57 0.00 0.00 175.55 175.23 1cff s ILE 100 N -1.43 2.85 0.11 2.71 1.01 -0.50 -4.92 121.20 121.03 1cff s ILE 100 Ca 0.25 -3.51 -0.16 0.00 0.00 0.00 0.00 60.65 57.23 1cff s ILE 100 Cb -0.11 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 1cff s ILE 100 CO 0.17 -0.86 1.52 -1.28 0.00 0.00 0.00 174.94 174.49 1cff h SER 101 N 6.30 0.63 0.00 3.58 0.87 -1.96 -3.38 113.55 119.59 1cff h SER 101 Ca -0.02 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1cff h SER 101 Cb 0.87 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1cff h SER 101 CO 0.70 0.83 0.00 0.00 -0.53 0.00 0.00 176.83 177.83 1cff n ALA 102 N -2.41 0.00 -0.07 6.23 0.00 -1.26 -4.84 120.51 118.16 1cff n ALA 102 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 1cff n ALA 102 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.38 -0.51 0.00 0.00 -1.96 1.16 119.26 117.57 1cff h ALA 103 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1cff h ALA 103 Cb 0.00 0.92 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1cff h ALA 103 CO 0.00 -0.48 0.29 1.05 0.00 0.00 0.00 179.25 180.11 1cff h GLU 104 N -0.10 0.56 -0.46 0.00 9.09 -1.91 -2.07 114.58 119.70 1cff h GLU 104 Ca 0.03 -0.03 0.09 0.00 0.05 0.00 0.00 59.36 59.50 1cff h GLU 104 Cb 0.18 -0.13 -0.09 0.00 -1.65 0.00 0.00 28.75 27.07 1cff h GLU 104 CO -0.23 0.37 -0.12 -0.07 0.05 0.00 0.00 179.01 179.02 1cff h LEU 105 N 0.58 -0.44 0.08 3.06 -0.00 -1.56 1.37 115.31 118.40 1cff h LEU 105 Ca 0.21 0.14 0.00 0.00 -0.00 0.00 0.00 57.88 58.23 1cff h LEU 105 Cb 0.04 0.29 -0.02 0.00 -0.00 0.00 0.00 40.66 40.97 1cff h LEU 105 CO -0.10 -0.16 -0.21 0.03 -0.00 0.00 0.00 178.44 178.00 1cff h ARG 106 N -0.01 -0.32 0.44 1.13 2.47 0.20 0.37 114.38 118.67 1cff h ARG 106 Ca 0.22 0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.94 1cff h ARG 106 Cb 0.34 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1cff h ARG 106 CO -0.47 -0.21 -0.21 1.25 0.56 0.00 0.00 179.97 180.88 1cff h HIS 107 N -0.33 -0.55 -0.78 3.04 2.76 -1.11 0.11 115.15 118.29 1cff h HIS 107 Ca -0.01 -0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.33 1cff h HIS 107 Cb 0.32 0.18 -0.14 0.00 1.55 0.00 0.00 27.41 29.32 1cff h HIS 107 CO -0.31 -0.34 -0.02 0.28 -1.30 0.00 0.00 177.93 176.24 1cff h VAL 108 N -0.84 0.29 0.00 5.26 2.07 0.17 0.83 116.25 124.03 1cff h VAL 108 Ca -0.06 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1cff h VAL 108 Cb 0.45 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1cff h VAL 108 CO 0.10 0.01 -0.32 -0.03 0.02 0.00 0.00 177.57 177.36 1cff h MET 109 N 0.08 0.00 0.00 1.57 -1.53 -0.27 -0.57 114.93 114.21 1cff h MET 109 Ca 0.43 0.00 -0.23 0.00 -3.44 0.00 0.00 59.70 56.45 1cff h MET 109 Cb 0.75 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.77 1cff h MET 109 CO -0.71 0.00 -1.32 1.15 0.14 0.00 0.00 176.91 176.17 1cff h THR 110 N 0.00 1.12 0.00 -0.77 2.02 0.14 -2.97 112.91 112.45 1cff h THR 110 Ca 0.00 -2.84 -0.15 0.00 0.77 0.00 0.00 66.41 64.19 1cff h THR 110 Cb 0.96 2.53 -0.03 0.00 -1.74 0.00 0.00 68.15 69.87 1cff h THR 110 CO 0.00 0.64 -1.15 0.78 0.37 0.00 0.00 175.52 176.15 1cff h ASN 111 N 0.00 0.00 -0.70 4.18 4.21 0.53 -3.34 115.58 120.46 1cff h ASN 111 Ca -0.15 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.35 1cff h ASN 111 Cb 1.82 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.99 1cff h ASN 111 CO 0.09 0.57 0.39 -0.07 -1.29 0.00 0.00 177.43 177.12 1cff h LEU 112 N 0.00 0.88 0.00 1.61 3.38 -1.17 -3.46 115.31 116.55 1cff h LEU 112 Ca -0.11 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1cff h LEU 112 Cb 1.53 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1cff h LEU 112 CO 0.05 0.70 0.00 0.61 0.09 0.00 0.00 178.44 179.90 1cff n GLY 113 N -1.22 0.33 0.00 0.83 0.00 -1.24 -5.08 105.19 98.80 1cff n GLY 113 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 2.07 -3.07 1.61 -0.58 -1.12 -5.03 120.64 114.51 1cff n GLU 114 Ca 0.00 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 1cff n GLU 114 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 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 -0.44 0.38 -2.77 3.49 4.81 -1.26 -4.07 118.16 118.30 1cff n LYS 115 Ca 0.00 -2.59 -0.43 0.00 -0.87 0.00 0.00 58.31 54.42 1cff n LYS 115 Cb 0.00 -1.56 -0.04 0.00 0.02 0.00 0.00 35.03 33.46 1cff n LYS 115 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1cff s LEU 116 N 0.39 3.94 0.00 3.14 1.43 -1.26 -5.03 118.68 121.28 1cff s LEU 116 Ca 0.32 -0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 52.99 1cff s LEU 116 Cb 0.03 -2.88 0.24 0.00 0.03 0.00 0.00 46.19 43.61 1cff s LEU 116 CO -0.13 -1.31 0.54 0.35 0.23 0.00 0.00 176.35 176.03 1cff n THR 117 N 6.30 0.00 0.28 5.49 -2.24 -1.26 -4.49 114.28 118.36 1cff n THR 117 Ca 0.03 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.99 1cff n THR 117 Cb 0.48 -0.62 0.73 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.99 -2.24 116.42 114.47 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 40.84 1cff h ASP 118 CO 0.15 0.00 -0.03 -0.33 -1.61 0.00 0.00 179.24 177.41 1cff h GLU 119 N 0.00 -0.09 0.41 0.28 3.07 -1.99 -2.74 114.58 113.51 1cff h GLU 119 Ca -0.00 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1cff h GLU 119 Cb 0.47 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 1cff h GLU 119 CO 0.00 0.15 -0.43 0.93 -1.40 0.00 0.00 179.01 178.26 1cff h GLU 120 N -1.01 -0.83 -0.34 2.33 4.39 -1.88 -2.79 114.58 114.46 1cff h GLU 120 Ca -0.01 0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.82 1cff h GLU 120 Cb 0.28 0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 29.05 1cff h GLU 120 CO 0.02 -0.55 -0.09 -0.24 -1.16 0.00 0.00 179.01 176.98 1cff h VAL 121 N -0.86 0.65 -0.10 3.13 3.04 -1.58 0.33 116.25 120.86 1cff h VAL 121 Ca -0.04 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.67 1cff h VAL 121 Cb 0.77 0.65 -0.03 0.00 -2.01 0.00 0.00 31.29 30.67 1cff h VAL 121 CO -0.07 0.00 -0.24 -0.78 -1.01 0.00 0.00 177.57 175.47 1cff h ASP 122 N -0.00 -0.78 0.33 3.17 3.58 -1.33 -0.38 116.42 121.01 1cff h ASP 122 Ca 0.17 0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.67 1cff h ASP 122 Cb 0.26 0.31 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1cff h ASP 122 CO -0.36 -0.20 -0.20 -0.33 -2.88 0.00 0.00 179.24 175.28 1cff h GLU 123 N -0.23 0.00 0.69 0.28 5.08 -1.40 -2.40 114.58 116.60 1cff h GLU 123 Ca 0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1cff h GLU 123 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1cff h GLU 123 CO -0.22 0.20 -0.48 1.98 -1.00 0.00 0.00 179.01 179.49 1cff h MET 124 N 0.00 -1.08 0.00 2.33 4.05 0.95 0.48 114.93 121.67 1cff h MET 124 Ca -0.00 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 1cff h MET 124 Cb 0.42 0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 1cff h MET 124 CO 0.03 -0.72 0.00 0.82 0.23 0.00 0.00 176.91 177.26 1cff h ILE 125 N -1.12 0.00 0.01 1.77 1.08 -1.06 0.49 117.51 118.68 1cff h ILE 125 Ca -0.09 -0.36 -0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1cff h ILE 125 Cb 0.92 1.35 0.00 0.00 -3.07 0.00 0.00 36.82 36.02 1cff h ILE 125 CO 0.05 0.00 -0.00 0.03 -0.69 0.00 0.00 178.15 177.54 1cff h ARG 126 N 0.00 -0.01 -0.04 2.37 3.08 -0.84 0.24 114.38 119.18 1cff h ARG 126 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1cff h ARG 126 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1cff h ARG 126 CO 0.00 0.69 -0.57 1.05 -1.07 0.00 0.00 179.97 180.07 1cff h GLU 127 N -0.74 0.11 -0.42 0.04 4.11 0.20 -2.77 114.58 115.12 1cff h GLU 127 Ca -0.00 -0.07 -0.09 0.00 0.07 0.00 0.00 59.36 59.27 1cff h GLU 127 Cb 0.71 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1cff h GLU 127 CO 0.00 0.65 -0.11 0.00 0.07 0.00 0.00 179.01 179.63 1cff h ALA 128 N 1.33 1.03 -1.71 1.06 0.00 -0.03 -3.43 119.26 117.52 1cff h ALA 128 Ca -0.00 -0.31 -0.67 0.00 0.00 0.00 0.00 54.91 53.93 1cff h ALA 128 Cb 1.03 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.66 1cff h ALA 128 CO 0.08 0.59 1.09 -3.47 0.00 0.00 0.00 179.25 177.54 1cff n ASP 129 N -4.17 2.86 0.00 0.00 2.03 0.07 -4.88 116.55 112.47 1cff n ASP 129 Ca 0.01 0.91 0.00 0.00 0.52 0.00 0.00 54.79 56.24 1cff n ASP 129 Cb 0.36 -1.27 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 1cff n ASP 129 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1cff n ILE 130 N 5.32 0.00 -0.26 5.18 -0.00 -1.26 -4.63 119.36 123.71 1cff n ILE 130 Ca 0.27 0.47 0.07 0.00 -0.00 0.00 0.00 62.75 63.56 1cff n ILE 130 Cb 0.23 -1.47 0.19 0.00 -0.00 0.00 0.00 39.64 38.58 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 -0.22 -1.17 4.38 3.04 -1.95 -3.47 116.42 117.03 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 0.30 0.00 0.00 -1.04 0.00 0.00 39.33 38.59 1cff h ASP 131 CO 0.00 -0.15 0.00 0.61 -2.04 0.00 0.00 179.24 177.66 1cff n GLY 132 N -1.40 0.53 0.03 7.15 0.00 -1.26 -5.03 105.19 105.20 1cff n GLY 132 Ca 0.15 -0.55 0.04 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.44 1.17 0.00 1.61 9.92 -1.26 -4.98 116.55 122.57 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 0.20 1.52 0.00 0.00 -0.64 0.00 0.00 41.12 42.19 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 1.69 0.82 0.00 0.44 0.00 -1.26 -5.06 105.19 101.82 1cff n GLY 134 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.45 1.61 0.00 -1.26 -5.07 117.38 109.21 1cff n GLN 135 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.00 56.83 1cff n GLN 135 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.13 1cff n GLN 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1cff s VAL 136 N 1.89 -0.37 -0.14 1.69 0.11 -1.26 -4.52 120.40 117.80 1cff s VAL 136 Ca 0.00 -0.25 -0.08 0.00 -2.93 0.00 0.00 61.98 58.73 1cff s VAL 136 Cb 0.00 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1cff s VAL 136 CO 0.00 -0.29 0.14 0.54 -3.33 0.00 0.00 175.10 172.15 1cff s ASN 137 N 2.35 6.33 0.55 3.54 4.22 -1.26 -1.41 114.94 129.26 1cff s ASN 137 Ca 0.08 0.41 0.49 0.00 -2.14 0.00 0.00 52.86 51.70 1cff s ASN 137 Cb -0.15 -2.07 1.72 0.00 1.28 0.00 0.00 41.25 42.03 1cff s ASN 137 CO -0.20 0.36 1.58 0.22 -2.04 0.00 0.00 177.10 177.02 1cff h TYR 138 N 5.38 0.04 -0.55 1.54 3.20 -1.97 0.22 116.97 124.83 1cff h TYR 138 Ca -0.52 0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.47 1cff h TYR 138 Cb 1.21 -0.01 -0.11 0.00 1.54 0.00 0.00 36.73 39.37 1cff h TYR 138 CO 0.72 -0.02 -0.14 1.05 -1.64 0.00 0.00 178.16 178.12 1cff h GLU 139 N 0.00 -0.01 0.00 1.82 4.11 -1.93 0.16 114.58 118.74 1cff h GLU 139 Ca 0.93 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 60.16 1cff h GLU 139 Cb 3.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 32.94 1cff h GLU 139 CO -0.05 -0.00 -0.90 1.05 0.07 0.00 0.00 179.01 179.18 1cff h GLU 140 N -0.01 0.27 0.04 1.06 4.11 -0.97 -2.78 114.58 116.31 1cff h GLU 140 Ca 0.26 -0.29 0.03 0.00 0.07 0.00 0.00 59.36 59.43 1cff h GLU 140 Cb 0.41 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 1cff h GLU 140 CO -0.57 1.01 -0.44 0.35 0.07 0.00 0.00 179.01 179.42 1cff h PHE 141 N 0.15 -1.26 0.19 2.06 3.04 -0.65 0.18 116.94 120.66 1cff h PHE 141 Ca -0.06 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1cff h PHE 141 Cb 1.53 0.55 0.00 0.00 2.56 0.00 0.00 35.95 40.59 1cff h PHE 141 CO 0.04 -0.52 -0.09 -0.39 -2.02 0.00 0.00 178.31 175.33 1cff h VAL 142 N -0.62 0.86 -0.61 1.41 -1.51 -0.89 -2.84 116.25 112.05 1cff h VAL 142 Ca 0.03 -0.96 0.17 0.00 -1.23 0.00 0.00 66.70 64.72 1cff h VAL 142 Cb 0.68 1.37 -0.02 0.00 -2.13 0.00 0.00 31.29 31.18 1cff h VAL 142 CO -0.30 0.19 0.44 0.06 -1.23 0.00 0.00 177.57 176.73 1cff h GLN 143 N -0.78 0.01 0.15 5.19 -0.00 -1.49 1.34 115.11 119.52 1cff h GLN 143 Ca -0.03 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 1cff h GLN 143 Cb 0.52 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.99 1cff h GLN 143 CO 0.04 0.01 -0.07 1.98 -0.00 0.00 0.00 178.83 180.79 1cff h MET 144 N 0.01 -0.19 0.00 0.06 4.05 -0.62 -3.20 114.93 115.03 1cff h MET 144 Ca 0.29 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.72 1cff h MET 144 Cb 1.15 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 1cff h MET 144 CO -0.01 0.23 -0.48 -0.12 0.23 0.00 0.00 176.91 176.76 1cff n MET 145 N -4.96 0.41 0.22 0.39 1.56 -0.74 -4.70 117.12 109.30 1cff n MET 145 Ca -0.08 0.49 -0.09 0.00 -0.27 0.00 0.00 57.70 57.75 1cff n MET 145 Cb 0.26 -1.60 -0.04 0.00 2.15 0.00 0.00 33.22 33.99 1cff n MET 145 CO 0.00 0.00 0.00 1.79 -0.73 0.00 0.00 175.97 177.03 1cff h THR 146 N -0.91 0.00 -1.62 1.12 1.35 0.14 -3.49 112.91 109.51 1cff h THR 146 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1cff h THR 146 Cb 0.48 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.90 1cff h THR 146 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1cff n ALA 147 N -2.34 0.00 -1.73 6.62 0.00 0.22 -4.95 120.51 118.33 1cff n ALA 147 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1cff n ALA 147 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1cff n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86