#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwq s THR 5 N 0.00 3.61 0.29 1.96 -1.32 -1.26 -5.01 115.64 113.92 1iwq s THR 5 Ca 0.00 -0.06 -0.01 0.00 -1.21 0.00 0.00 61.69 60.41 1iwq s THR 5 Cb 0.00 -3.43 0.22 0.00 -1.51 0.00 0.00 72.50 67.78 1iwq s THR 5 CO 0.00 -0.43 1.91 -0.08 -2.21 0.00 0.00 174.62 173.81 1iwq h GLU 6 N -0.14 0.97 -0.11 7.08 4.81 -2.06 -2.60 114.58 122.53 1iwq h GLU 6 Ca -0.45 -0.11 -0.18 0.00 -0.13 0.00 0.00 59.36 58.49 1iwq h GLU 6 Cb 1.26 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1iwq h GLU 6 CO 0.60 0.72 -0.67 0.93 -0.73 0.00 0.00 179.01 179.86 1iwq h GLU 7 N 0.97 0.46 -0.90 1.92 5.08 -2.00 -2.74 114.58 117.38 1iwq h GLU 7 Ca 0.25 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1iwq h GLU 7 Cb 0.04 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1iwq h GLU 7 CO -0.04 0.97 0.52 1.96 -1.00 0.00 0.00 179.01 181.43 1iwq h GLN 8 N 0.33 1.24 -0.53 2.33 4.20 -1.87 -1.82 115.11 118.98 1iwq h GLN 8 Ca -0.02 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.52 1iwq h GLN 8 Cb 1.24 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 1iwq h GLN 8 CO 0.12 0.88 0.14 0.82 -0.67 0.00 0.00 178.83 180.11 1iwq h ILE 9 N 1.25 1.24 -0.13 2.54 2.04 -1.40 -1.37 117.51 121.68 1iwq h ILE 9 Ca 0.32 -0.85 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 1iwq h ILE 9 Cb -0.02 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1iwq h ILE 9 CO -0.06 0.31 -0.17 0.00 0.00 0.00 0.00 178.15 178.23 1iwq h ALA 10 N 1.01 1.47 -0.32 1.87 0.00 -1.18 0.79 119.26 122.90 1iwq h ALA 10 Ca 0.17 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1iwq h ALA 10 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1iwq h ALA 10 CO 0.00 0.37 -0.22 0.93 0.00 0.00 0.00 179.25 180.33 1iwq h GLU 11 N 0.20 0.72 -0.56 0.00 5.08 -0.90 -1.52 114.58 117.61 1iwq h GLU 11 Ca 0.04 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 1iwq h GLU 11 Cb 0.43 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1iwq h GLU 11 CO 0.03 0.96 0.16 0.74 -1.00 0.00 0.00 179.01 179.89 1iwq h PHE 12 N 0.49 0.87 -0.63 4.33 -1.00 -0.65 0.27 116.94 120.61 1iwq h PHE 12 Ca 0.06 -0.07 -0.05 0.00 2.81 0.00 0.00 57.97 60.72 1iwq h PHE 12 Cb 0.78 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 40.06 1iwq h PHE 12 CO 0.06 0.71 0.18 -0.22 -1.61 0.00 0.00 178.31 177.44 1iwq h LYS 13 N 0.82 0.99 -0.29 1.51 3.64 -0.67 0.15 116.57 122.71 1iwq h LYS 13 Ca 0.18 -0.22 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 1iwq h LYS 13 Cb 0.26 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1iwq h LYS 13 CO -0.01 0.88 -0.33 1.49 -2.27 0.00 0.00 179.45 179.21 1iwq h GLU 14 N 0.91 0.74 -0.82 1.90 4.57 -1.04 -1.18 114.58 119.66 1iwq h GLU 14 Ca 0.20 -0.41 0.05 0.00 -1.18 0.00 0.00 59.36 58.03 1iwq h GLU 14 Cb 0.31 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.87 1iwq h GLU 14 CO -0.00 1.03 0.54 0.00 -1.18 0.00 0.00 179.01 179.39 1iwq h ALA 15 N 0.70 1.55 -0.20 2.92 0.00 -0.29 -1.45 119.26 122.49 1iwq h ALA 15 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1iwq h ALA 15 Cb 0.91 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1iwq h ALA 15 CO 0.08 0.34 -0.04 0.35 0.00 0.00 0.00 179.25 179.97 1iwq h PHE 16 N 0.95 0.43 -0.43 0.00 3.57 -0.60 -2.96 116.94 117.91 1iwq h PHE 16 Ca 0.34 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.80 1iwq h PHE 16 Cb 0.14 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1iwq h PHE 16 CO -0.00 0.63 0.29 1.03 -2.23 0.00 0.00 178.31 178.03 1iwq h SER 17 N 0.11 0.34 -0.86 0.41 0.87 -0.62 0.21 113.55 114.01 1iwq h SER 17 Ca 0.05 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1iwq h SER 17 Cb 0.49 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.33 1iwq h SER 17 CO 0.02 0.23 0.44 0.25 -0.53 0.00 0.00 176.83 177.24 1iwq h LEU 18 N 0.39 1.11 0.05 2.23 5.85 -1.11 -2.98 115.31 120.85 1iwq h LEU 18 Ca 0.18 -0.12 -0.24 0.00 0.84 0.00 0.00 57.88 58.55 1iwq h LEU 18 Cb 0.23 -0.28 0.02 0.00 0.37 0.00 0.00 40.66 40.99 1iwq h LEU 18 CO -0.04 0.91 -0.95 -0.26 -0.34 0.00 0.00 178.44 177.76 1iwq h PHE 19 N 1.22 0.86 -0.25 1.25 -1.00 -1.40 -3.39 116.94 114.23 1iwq h PHE 19 Ca 0.30 -0.50 -0.71 0.00 2.81 0.00 0.00 57.97 59.87 1iwq h PHE 19 Cb 0.07 -0.08 -0.05 0.00 3.61 0.00 0.00 35.95 39.50 1iwq h PHE 19 CO 0.01 1.34 2.89 -3.47 -1.61 0.00 0.00 178.31 177.48 1iwq n ASP 20 N -3.97 4.15 -0.26 2.17 2.03 -0.00 -4.72 116.55 115.95 1iwq n ASP 20 Ca -0.12 -2.87 0.05 0.00 0.52 0.00 0.00 54.79 52.37 1iwq n ASP 20 Cb 0.84 -1.67 0.19 0.00 -0.72 0.00 0.00 41.12 39.76 1iwq n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1iwq h LYS 21 N 6.31 0.47 -0.06 -0.67 1.79 -1.77 -0.69 116.57 121.96 1iwq h LYS 21 Ca 0.54 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.98 1iwq h LYS 21 Cb 0.69 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1iwq h LYS 21 CO 1.79 0.31 0.00 -0.40 -1.08 0.00 0.00 179.45 180.07 1iwq n ASP 22 N -4.97 1.26 -3.74 0.86 5.68 -1.26 -4.93 116.55 109.44 1iwq n ASP 22 Ca 0.14 -1.49 -0.28 0.00 -0.50 0.00 0.00 54.79 52.66 1iwq n ASP 22 Cb 0.40 -0.03 0.04 0.00 -1.14 0.00 0.00 41.12 40.39 1iwq n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iwq n GLY 23 N 1.11 -0.51 0.85 6.12 0.00 -0.27 -4.88 105.19 107.61 1iwq n GLY 23 Ca 0.18 0.20 0.10 0.00 0.00 0.00 0.00 46.02 46.50 1iwq n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iwq n ASP 24 N -2.82 2.51 0.00 1.61 5.75 -1.26 -4.91 116.55 117.43 1iwq n ASP 24 Ca 0.02 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 1iwq n ASP 24 Cb 0.54 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 1iwq n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iwq n GLY 25 N 1.29 0.91 3.12 6.12 0.00 -1.26 -5.04 105.19 110.33 1iwq n GLY 25 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1iwq n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iwq s THR 26 N -3.23 0.57 -0.25 2.61 -4.23 -1.26 -4.44 115.64 105.42 1iwq s THR 26 Ca 0.00 -1.65 -0.06 0.00 -1.18 0.00 0.00 61.69 58.81 1iwq s THR 26 Cb 0.00 -1.31 -0.01 0.00 1.34 0.00 0.00 72.50 72.52 1iwq s THR 26 CO 0.00 -0.74 0.02 -0.63 -0.54 0.00 0.00 174.62 172.74 1iwq s ILE 27 N -2.96 3.80 0.46 2.99 -1.09 0.20 -4.74 121.20 119.87 1iwq s ILE 27 Ca 0.04 -0.46 0.03 0.00 -2.23 0.00 0.00 60.65 58.03 1iwq s ILE 27 Cb 0.01 -2.82 0.01 0.00 -1.58 0.00 0.00 42.46 38.08 1iwq s ILE 27 CO -0.04 0.30 0.65 0.42 -1.23 0.00 0.00 174.94 175.04 1iwq s THR 28 N 1.52 3.34 0.45 2.92 -4.23 -1.26 -1.13 115.64 117.26 1iwq s THR 28 Ca 0.05 -0.76 0.14 0.00 -1.18 0.00 0.00 61.69 59.95 1iwq s THR 28 Cb -0.15 -3.20 0.32 0.00 1.34 0.00 0.00 72.50 70.81 1iwq s THR 28 CO 0.00 -0.11 2.01 0.71 -0.54 0.00 0.00 174.62 176.69 1iwq h THR 29 N 0.43 0.92 -0.27 3.99 1.35 -1.91 -0.96 112.91 116.47 1iwq h THR 29 Ca -0.43 -0.12 -0.02 0.00 -0.55 0.00 0.00 66.41 65.30 1iwq h THR 29 Cb 1.27 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 1iwq h THR 29 CO 0.52 0.06 0.11 0.11 -0.25 0.00 0.00 175.52 176.07 1iwq h LYS 30 N 0.34 0.41 -0.68 4.72 1.57 -1.98 -0.35 116.57 120.59 1iwq h LYS 30 Ca 0.22 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1iwq h LYS 30 Cb 0.44 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1iwq h LYS 30 CO -0.05 0.44 0.12 0.93 -0.57 0.00 0.00 179.45 180.32 1iwq h GLU 31 N 0.29 1.11 -0.08 3.15 5.08 -1.64 -1.59 114.58 120.91 1iwq h GLU 31 Ca 0.09 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1iwq h GLU 31 Cb 0.18 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1iwq h GLU 31 CO -0.01 1.01 0.05 -0.07 -1.00 0.00 0.00 179.01 179.00 1iwq h LEU 32 N 1.04 0.10 -0.72 1.33 3.38 -1.11 -1.80 115.31 117.54 1iwq h LEU 32 Ca 0.21 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1iwq h LEU 32 Cb 0.43 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1iwq h LEU 32 CO 0.01 0.10 0.47 1.23 0.09 0.00 0.00 178.44 180.34 1iwq h GLY 33 N 0.09 1.01 0.77 0.83 0.00 -0.77 -0.73 103.07 104.26 1iwq h GLY 33 Ca 0.03 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.02 1iwq h GLY 33 CO -0.01 0.36 0.14 -0.84 0.00 0.00 0.00 176.54 176.19 1iwq h THR 34 N 0.96 0.94 -0.12 4.70 2.02 -1.20 0.46 112.91 120.67 1iwq h THR 34 Ca 0.27 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 1iwq h THR 34 Cb -0.10 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1iwq h THR 34 CO -0.06 0.05 0.06 0.58 0.37 0.00 0.00 175.52 176.52 1iwq h VAL 35 N 0.29 1.12 -0.50 3.16 2.07 -1.01 -0.87 116.25 120.51 1iwq h VAL 35 Ca 0.15 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1iwq h VAL 35 Cb 0.10 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1iwq h VAL 35 CO -0.13 0.11 0.12 0.24 0.02 0.00 0.00 177.57 177.93 1iwq h MET 36 N 0.07 0.75 -0.30 1.57 2.86 -0.90 -0.87 114.93 118.11 1iwq h MET 36 Ca 0.04 -0.14 -0.12 0.00 -2.06 0.00 0.00 59.70 57.42 1iwq h MET 36 Cb 0.12 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1iwq h MET 36 CO -0.01 0.68 -0.32 0.00 1.06 0.00 0.00 176.91 178.32 1iwq h ARG 37 N 0.73 0.64 0.00 1.72 3.08 -0.78 0.83 114.38 120.59 1iwq h ARG 37 Ca 0.16 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1iwq h ARG 37 Cb 0.26 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1iwq h ARG 37 CO -0.00 0.88 0.00 0.66 -1.07 0.00 0.00 179.97 180.43 1iwq h SER 38 N 0.54 0.00 -0.51 7.04 4.64 0.25 -0.11 113.55 125.40 1iwq h SER 38 Ca 0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1iwq h SER 38 Cb 0.82 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1iwq h SER 38 CO 0.07 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.21 1iwq n LEU 39 N -2.98 5.36 0.00 5.97 4.77 -0.86 -4.81 117.00 124.45 1iwq n LEU 39 Ca -0.01 -2.96 0.00 0.00 -0.03 0.00 0.00 56.01 53.01 1iwq n LEU 39 Cb 0.19 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1iwq n LEU 39 CO 0.23 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1iwq n GLY 40 N 0.37 0.42 3.98 -0.72 0.00 -0.05 -4.92 105.19 104.27 1iwq n GLY 40 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 1iwq n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iwq s GLN 41 N -0.35 3.01 -0.41 1.61 -1.52 0.23 -4.98 119.66 117.26 1iwq s GLN 41 Ca 0.00 -0.87 0.07 0.00 -1.95 0.00 0.00 55.36 52.61 1iwq s GLN 41 Cb 0.00 -2.71 0.23 0.00 -0.22 0.00 0.00 33.01 30.31 1iwq s GLN 41 CO 0.00 -0.15 0.51 -1.71 -0.25 0.00 0.00 175.29 173.70 1iwq n ASN 42 N -1.86 -0.31 -4.77 5.90 5.15 -1.26 -3.58 115.26 114.53 1iwq n ASN 42 Ca 0.02 -2.67 -0.37 0.00 -0.60 0.00 0.00 54.58 50.95 1iwq n ASN 42 Cb 0.58 -0.36 -0.00 0.00 -0.53 0.00 0.00 39.78 39.47 1iwq n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1iwq s PRO 43 N -0.70 3.66 0.73 1.20 0.04 -1.26 -5.03 135.00 133.64 1iwq s PRO 43 Ca 0.34 1.85 -0.07 0.00 0.04 0.00 0.00 61.00 63.16 1iwq s PRO 43 Cb 0.14 -2.38 0.08 0.00 0.04 0.00 0.00 34.50 32.37 1iwq s PRO 43 CO -0.14 -0.66 1.05 0.95 0.04 0.00 0.00 177.00 178.24 1iwq s THR 44 N -1.50 2.23 0.29 1.26 -4.23 -1.26 -4.88 115.64 107.55 1iwq s THR 44 Ca 0.65 -0.26 -0.00 0.00 -1.18 0.00 0.00 61.69 60.90 1iwq s THR 44 Cb -0.31 -2.97 0.17 0.00 1.34 0.00 0.00 72.50 70.73 1iwq s THR 44 CO 0.37 0.00 1.85 1.05 -0.54 0.00 0.00 174.62 177.35 1iwq h GLU 45 N -0.70 0.80 -0.45 3.99 9.09 -1.99 -1.55 114.58 123.76 1iwq h GLU 45 Ca -0.44 -0.15 -0.04 0.00 0.05 0.00 0.00 59.36 58.78 1iwq h GLU 45 Cb 1.31 -0.13 -0.02 0.00 -1.65 0.00 0.00 28.75 28.26 1iwq h GLU 45 CO 0.58 0.70 0.12 0.00 0.05 0.00 0.00 179.01 180.46 1iwq h ALA 46 N 1.39 0.59 -0.75 1.06 0.00 -1.99 0.23 119.26 119.79 1iwq h ALA 46 Ca 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1iwq h ALA 46 Cb 0.25 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1iwq h ALA 46 CO -0.01 0.26 0.37 0.93 0.00 0.00 0.00 179.25 180.80 1iwq h GLU 47 N 0.59 1.07 -0.35 0.00 5.08 -1.68 0.71 114.58 119.99 1iwq h GLU 47 Ca 0.14 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1iwq h GLU 47 Cb 0.30 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1iwq h GLU 47 CO -0.00 0.82 0.10 -0.07 -1.00 0.00 0.00 179.01 178.86 1iwq h LEU 48 N 1.04 0.53 -0.77 1.33 3.38 -1.07 -0.56 115.31 119.19 1iwq h LEU 48 Ca 0.26 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1iwq h LEU 48 Cb 0.10 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1iwq h LEU 48 CO -0.03 0.61 0.49 1.56 0.09 0.00 0.00 178.44 181.16 1iwq h GLN 49 N 0.42 1.03 -0.90 1.13 4.20 -0.40 -1.76 115.11 118.83 1iwq h GLN 49 Ca 0.11 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1iwq h GLN 49 Cb 0.28 -0.23 -0.05 0.00 0.30 0.00 0.00 27.48 27.79 1iwq h GLN 49 CO -0.00 0.70 0.60 -0.44 -0.67 0.00 0.00 178.83 179.02 1iwq h ASP 50 N 1.05 1.03 -0.03 1.46 3.32 -0.49 0.81 116.42 123.57 1iwq h ASP 50 Ca 0.28 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 1iwq h ASP 50 Cb -0.08 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.21 1iwq h ASP 50 CO -0.06 0.75 0.01 0.24 -1.72 0.00 0.00 179.24 178.46 1iwq h MET 51 N 1.22 0.04 -0.21 3.56 2.86 -0.27 -2.06 114.93 120.08 1iwq h MET 51 Ca 0.33 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.96 1iwq h MET 51 Cb -0.14 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 1iwq h MET 51 CO -0.07 0.18 0.10 0.82 1.06 0.00 0.00 176.91 179.00 1iwq h ILE 52 N -0.10 1.13 -0.77 -1.22 5.03 -0.99 -3.05 117.51 117.53 1iwq h ILE 52 Ca 0.01 -0.37 0.10 0.00 -0.12 0.00 0.00 64.86 64.48 1iwq h ILE 52 Cb 0.15 1.00 -0.05 0.00 -3.03 0.00 0.00 36.82 34.89 1iwq h ILE 52 CO -0.00 0.13 0.51 0.78 -0.68 0.00 0.00 178.15 178.88 1iwq h ASN 53 N 0.21 0.61 -0.23 1.72 2.35 -0.63 0.34 115.58 119.95 1iwq h ASN 53 Ca 0.07 0.02 0.07 0.00 -0.55 0.00 0.00 56.30 55.90 1iwq h ASN 53 Cb 0.11 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1iwq h ASN 53 CO -0.01 0.36 0.19 -0.33 -1.65 0.00 0.00 177.43 175.98 1iwq h GLU 54 N 0.67 0.00 0.00 0.81 5.08 -1.26 -2.87 114.58 117.01 1iwq h GLU 54 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1iwq h GLU 54 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1iwq h GLU 54 CO -0.13 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.21 1iwq n VAL 55 N -4.22 0.40 -2.21 3.13 0.24 -0.25 -4.92 118.33 110.51 1iwq n VAL 55 Ca 0.03 -0.61 -0.43 0.00 -2.04 0.00 0.00 64.34 61.29 1iwq n VAL 55 Cb 0.33 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 1iwq n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1iwq n ASP 56 N -0.20 4.58 -0.29 -1.34 2.03 -0.05 -4.77 116.55 116.50 1iwq n ASP 56 Ca 0.00 -2.95 0.10 0.00 0.52 0.00 0.00 54.79 52.46 1iwq n ASP 56 Cb 0.17 -1.62 0.26 0.00 -0.72 0.00 0.00 41.12 39.21 1iwq n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iwq h ALA 57 N 6.39 1.30 -0.02 -1.67 0.00 -1.89 -0.73 119.26 122.65 1iwq h ALA 57 Ca 0.47 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1iwq h ALA 57 Cb 0.71 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1iwq h ALA 57 CO 1.65 -0.26 -0.00 -0.40 0.00 0.00 0.00 179.25 180.25 1iwq n ASP 58 N -5.00 1.71 -2.00 0.00 5.68 -1.26 -4.96 116.55 110.71 1iwq n ASP 58 Ca 0.19 -1.57 -0.21 0.00 -0.50 0.00 0.00 54.79 52.70 1iwq n ASP 58 Cb 0.55 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.48 1iwq n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iwq n GLY 59 N 1.20 0.65 0.46 6.12 0.00 -0.28 -4.86 105.19 108.48 1iwq n GLY 59 Ca 0.18 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1iwq n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iwq n ASN 60 N -1.67 1.37 0.00 1.61 6.94 -1.26 -4.93 115.26 117.32 1iwq n ASN 60 Ca -0.23 -1.80 0.00 0.00 -0.02 0.00 0.00 54.58 52.53 1iwq n ASN 60 Cb 0.68 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 1iwq n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1iwq n GLY 61 N 1.00 2.56 3.41 4.83 0.00 -1.26 -5.01 105.19 110.72 1iwq n GLY 61 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1iwq n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iwq s THR 62 N -2.43 1.29 -0.23 2.61 -4.23 -1.26 -4.71 115.64 106.68 1iwq s THR 62 Ca 0.00 -2.05 -0.11 0.00 -1.18 0.00 0.00 61.69 58.35 1iwq s THR 62 Cb 0.00 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.22 1iwq s THR 62 CO 0.00 -0.18 0.17 -0.63 -0.54 0.00 0.00 174.62 173.44 1iwq s ILE 63 N -3.24 5.36 0.36 2.99 1.01 -0.28 -4.89 121.20 122.51 1iwq s ILE 63 Ca 0.32 0.22 0.02 0.00 0.00 0.00 0.00 60.65 61.21 1iwq s ILE 63 Cb 0.06 -3.51 0.07 0.00 0.01 0.00 0.00 42.46 39.09 1iwq s ILE 63 CO 0.13 0.35 0.50 -0.90 0.00 0.00 0.00 174.94 175.02 1iwq n ASP 64 N 4.20 0.93 0.18 3.58 5.68 -1.26 -0.62 116.55 129.23 1iwq n ASP 64 Ca -0.15 -1.73 -0.14 0.00 -0.50 0.00 0.00 54.79 52.27 1iwq n ASP 64 Cb 0.52 -0.30 -0.07 0.00 -1.14 0.00 0.00 41.12 40.13 1iwq n ASP 64 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1iwq h PHE 65 N -0.25 -0.44 -0.73 2.11 3.57 -2.00 -0.37 116.94 118.85 1iwq h PHE 65 Ca -0.17 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.33 1iwq h PHE 65 Cb 0.68 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 1iwq h PHE 65 CO 0.00 -0.26 0.47 -1.35 -2.23 0.00 0.00 178.31 174.94 1iwq h PRO 66 N -0.42 0.96 -0.40 6.41 0.11 -1.99 -1.21 132.00 135.46 1iwq h PRO 66 Ca -0.03 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.93 1iwq h PRO 66 Cb 0.35 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 1iwq h PRO 66 CO 0.03 0.64 -0.11 0.93 -0.21 0.00 0.00 178.00 179.27 1iwq h GLU 67 N 0.99 0.72 -0.49 1.05 5.08 -1.78 -0.93 114.58 119.21 1iwq h GLU 67 Ca 0.27 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1iwq h GLU 67 Cb -0.10 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1iwq h GLU 67 CO -0.06 0.81 0.25 0.35 -1.00 0.00 0.00 179.01 179.36 1iwq h PHE 68 N 0.65 0.70 -0.78 4.33 3.57 -0.29 0.20 116.94 125.32 1iwq h PHE 68 Ca 0.11 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1iwq h PHE 68 Cb 0.57 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1iwq h PHE 68 CO 0.03 0.54 0.39 -0.07 -2.23 0.00 0.00 178.31 176.97 1iwq h LEU 69 N 0.65 1.00 -0.13 0.59 3.38 -0.78 -0.23 115.31 119.79 1iwq h LEU 69 Ca 0.17 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1iwq h LEU 69 Cb 0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1iwq h LEU 69 CO -0.02 0.83 0.02 0.74 0.09 0.00 0.00 178.44 180.10 1iwq h THR 70 N 1.11 1.21 -0.33 0.22 2.02 -0.46 -0.05 112.91 116.62 1iwq h THR 70 Ca 0.27 -0.68 0.07 0.00 0.77 0.00 0.00 66.41 66.84 1iwq h THR 70 Cb 0.09 1.41 -0.08 0.00 -1.74 0.00 0.00 68.15 67.83 1iwq h THR 70 CO -0.04 0.20 -0.31 -0.03 0.37 0.00 0.00 175.52 175.71 1iwq h MET 71 N 0.00 -0.27 -0.76 6.66 1.85 -0.23 0.03 114.93 122.22 1iwq h MET 71 Ca 0.04 0.02 -0.03 0.00 -0.61 0.00 0.00 59.70 59.12 1iwq h MET 71 Cb 0.29 0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.34 1iwq h MET 71 CO 0.00 -0.18 0.34 0.52 -0.40 0.00 0.00 176.91 177.20 1iwq h MET 72 N -0.28 1.10 -0.24 0.39 2.07 -0.93 -1.74 114.93 115.31 1iwq h MET 72 Ca 0.16 -0.17 -0.08 0.00 -2.07 0.00 0.00 59.70 57.54 1iwq h MET 72 Cb 0.53 -0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 30.05 1iwq h MET 72 CO -0.49 0.87 -0.18 0.00 1.07 0.00 0.00 176.91 178.18 1iwq h ALA 73 N 1.28 1.25 -0.20 6.32 0.00 -0.19 -1.54 119.26 126.19 1iwq h ALA 73 Ca 0.26 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1iwq h ALA 73 Cb 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1iwq h ALA 73 CO -0.03 0.49 -0.49 0.00 0.00 0.00 0.00 179.25 179.22 1iwq h ARG 74 N 0.38 0.53 -0.48 0.00 3.08 -0.51 -2.85 114.38 114.53 1iwq h ARG 74 Ca 0.07 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 1iwq h ARG 74 Cb 0.53 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1iwq h ARG 74 CO 0.03 0.91 0.12 0.87 -1.07 0.00 0.00 179.97 180.83 1iwq h LYS 75 N 0.42 0.72 -5.80 0.04 1.57 -0.84 -3.52 116.57 109.17 1iwq h LYS 75 Ca 0.02 -0.13 -0.65 0.00 -1.87 0.00 0.00 60.65 58.02 1iwq h LYS 75 Cb 1.02 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 33.14 1iwq h LYS 75 CO 0.09 0.65 2.12 -1.33 -0.57 0.00 0.00 179.45 180.41 1iwq n MET 76 N -4.30 3.04 -2.13 3.15 2.81 -0.62 -5.11 117.12 113.96 1iwq n MET 76 Ca 0.03 -3.19 -0.32 0.00 -1.81 0.00 0.00 57.70 52.41 1iwq n MET 76 Cb 0.21 -3.52 -0.01 0.00 -0.71 0.00 0.00 33.22 29.19 1iwq n MET 76 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1iwq s SER 81 N 4.43 6.24 0.15 7.83 1.04 -1.26 -4.95 113.70 127.18 1iwq s SER 81 Ca 0.55 1.60 -0.04 0.00 0.48 0.00 0.00 55.95 58.54 1iwq s SER 81 Cb 0.04 -2.50 0.25 0.00 0.10 0.00 0.00 66.02 63.90 1iwq s SER 81 CO 0.08 -0.85 0.81 1.21 0.98 0.00 0.00 173.24 175.47 1iwq n GLU 82 N -2.07 -0.05 -0.26 4.02 4.07 -1.26 -1.53 120.64 123.56 1iwq n GLU 82 Ca 0.07 0.81 -0.06 0.00 -0.06 0.00 0.00 57.16 57.91 1iwq n GLU 82 Cb 0.54 -1.21 0.05 0.00 -0.06 0.00 0.00 31.44 30.76 1iwq n GLU 82 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1iwq h GLU 83 N 0.00 1.08 -0.40 5.31 4.57 -2.05 0.11 114.58 123.19 1iwq h GLU 83 Ca 0.25 -0.19 -0.12 0.00 -1.18 0.00 0.00 59.36 58.12 1iwq h GLU 83 Cb 0.39 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1iwq h GLU 83 CO -0.53 0.87 -0.24 0.93 -1.18 0.00 0.00 179.01 178.87 1iwq h GLU 84 N 1.04 0.82 -0.25 1.92 4.39 -1.72 -1.27 114.58 119.52 1iwq h GLU 84 Ca 0.24 -0.34 -0.14 0.00 0.34 0.00 0.00 59.36 59.46 1iwq h GLU 84 Cb 0.19 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1iwq h GLU 84 CO -0.02 0.97 -0.40 0.82 -1.16 0.00 0.00 179.01 179.22 1iwq h ILE 85 N 0.71 1.31 -0.81 3.13 2.04 -1.21 -1.90 117.51 120.79 1iwq h ILE 85 Ca 0.09 -1.60 0.02 0.00 1.00 0.00 0.00 64.86 64.37 1iwq h ILE 85 Cb 0.77 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.53 1iwq h ILE 85 CO 0.06 0.51 0.53 0.03 0.00 0.00 0.00 178.15 179.28 1iwq h ARG 86 N 0.42 1.03 -0.19 2.37 2.47 -0.72 0.18 114.38 119.94 1iwq h ARG 86 Ca 0.02 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 1iwq h ARG 86 Cb 0.99 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 29.07 1iwq h ARG 86 CO 0.09 0.68 0.06 0.93 0.56 0.00 0.00 179.97 182.29 1iwq h GLU 87 N 1.06 0.31 -0.51 0.04 5.08 -1.12 -1.03 114.58 118.40 1iwq h GLU 87 Ca 0.31 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1iwq h GLU 87 Cb -0.07 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1iwq h GLU 87 CO -0.09 0.42 0.21 0.00 -1.00 0.00 0.00 179.01 178.56 1iwq h ALA 88 N 0.87 1.43 -0.80 3.43 0.00 -0.55 -2.07 119.26 121.57 1iwq h ALA 88 Ca 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1iwq h ALA 88 Cb 0.24 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1iwq h ALA 88 CO -0.00 0.44 0.47 0.35 0.00 0.00 0.00 179.25 180.51 1iwq h PHE 89 N 0.72 1.07 0.00 0.00 3.57 -0.30 -2.11 116.94 119.89 1iwq h PHE 89 Ca 0.18 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1iwq h PHE 89 Cb 0.12 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1iwq h PHE 89 CO 0.01 0.73 0.00 0.54 -2.23 0.00 0.00 178.31 177.35 1iwq n ARG 90 N -4.45 0.21 -0.14 1.11 1.74 -0.43 -0.92 116.66 113.79 1iwq n ARG 90 Ca 0.08 0.35 -0.03 0.00 -0.77 0.00 0.00 57.85 57.47 1iwq n ARG 90 Cb 0.07 -1.84 0.18 0.00 -1.02 0.00 0.00 32.46 29.85 1iwq n ARG 90 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1iwq h VAL 91 N 0.00 1.23 0.06 1.55 2.07 -0.99 -3.31 116.25 116.86 1iwq h VAL 91 Ca 0.00 -0.82 -0.34 0.00 0.82 0.00 0.00 66.70 66.36 1iwq h VAL 91 Cb 0.49 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1iwq h VAL 91 CO 0.00 0.31 -1.95 0.49 0.02 0.00 0.00 177.57 176.44 1iwq n PHE 92 N -4.27 1.00 -2.34 1.57 3.01 -0.48 -4.56 117.46 111.40 1iwq n PHE 92 Ca 0.04 0.27 -0.43 0.00 1.01 0.00 0.00 57.45 58.34 1iwq n PHE 92 Cb 0.23 -1.15 0.00 0.00 -0.01 0.00 0.00 39.48 38.55 1iwq n PHE 92 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1iwq n ASP 93 N -3.26 4.81 -0.28 4.37 2.03 -0.09 -4.66 116.55 119.47 1iwq n ASP 93 Ca -0.27 -3.00 -0.04 0.00 0.52 0.00 0.00 54.79 52.00 1iwq n ASP 93 Cb 1.05 -1.57 0.07 0.00 -0.72 0.00 0.00 41.12 39.95 1iwq n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1iwq h LYS 94 N 6.29 0.99 -0.00 -0.67 1.79 -1.80 -1.84 116.57 121.33 1iwq h LYS 94 Ca 0.43 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1iwq h LYS 94 Cb 0.71 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1iwq h LYS 94 CO 1.60 0.66 0.00 -0.40 -1.08 0.00 0.00 179.45 180.22 1iwq n ASP 95 N -4.56 0.16 -1.58 0.86 5.68 -1.26 -4.92 116.55 110.92 1iwq n ASP 95 Ca 0.08 -1.11 -0.21 0.00 -0.50 0.00 0.00 54.79 53.05 1iwq n ASP 95 Cb 0.03 -0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.92 1iwq n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iwq n GLY 96 N 0.99 1.97 0.03 6.12 0.00 -0.69 -4.90 105.19 108.71 1iwq n GLY 96 Ca 0.22 -0.02 0.16 0.00 0.00 0.00 0.00 46.02 46.38 1iwq n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iwq n ASN 97 N -1.33 0.10 0.00 1.61 6.94 -1.26 -4.87 115.26 116.44 1iwq n ASN 97 Ca -0.21 -0.85 0.00 0.00 -0.02 0.00 0.00 54.58 53.51 1iwq n ASN 97 Cb 0.68 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 38.04 1iwq n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1iwq n GLY 98 N 1.07 0.83 2.81 4.83 0.00 -1.26 -5.05 105.19 108.42 1iwq n GLY 98 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 1iwq n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iwq s TYR 99 N -2.10 0.20 -0.29 1.61 2.02 -1.26 -3.88 117.35 113.65 1iwq s TYR 99 Ca 0.00 0.04 -0.21 0.00 -0.37 0.00 0.00 57.07 56.53 1iwq s TYR 99 Cb 0.00 -0.31 -0.01 0.00 -0.40 0.00 0.00 41.96 41.24 1iwq s TYR 99 CO 0.00 -0.10 0.68 0.42 -1.57 0.00 0.00 175.55 174.98 1iwq s ILE 100 N 0.90 4.91 0.56 2.71 1.01 0.13 -4.83 121.20 126.59 1iwq s ILE 100 Ca -0.08 1.06 -0.02 0.00 0.00 0.00 0.00 60.65 61.60 1iwq s ILE 100 Cb -0.12 -4.02 0.02 0.00 0.01 0.00 0.00 42.46 38.36 1iwq s ILE 100 CO -0.02 -0.11 0.82 -0.94 0.00 0.00 0.00 174.94 174.69 1iwq s SER 101 N 1.56 5.40 0.19 3.58 1.04 -1.26 -1.51 113.70 122.71 1iwq s SER 101 Ca 0.28 0.30 -0.12 0.00 0.48 0.00 0.00 55.95 56.89 1iwq s SER 101 Cb -0.15 -1.26 0.19 0.00 0.10 0.00 0.00 66.02 64.91 1iwq s SER 101 CO 0.11 -1.09 1.77 0.00 0.98 0.00 0.00 173.24 175.00 1iwq h ALA 102 N -0.02 0.70 -0.76 5.32 0.00 -1.94 -0.71 119.26 121.86 1iwq h ALA 102 Ca -0.44 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1iwq h ALA 102 Cb 1.28 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1iwq h ALA 102 CO 0.57 -0.14 0.49 0.00 0.00 0.00 0.00 179.25 180.17 1iwq h ALA 103 N 1.33 0.98 -0.38 0.00 0.00 -1.99 -0.67 119.26 118.54 1iwq h ALA 103 Ca 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1iwq h ALA 103 Cb 0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1iwq h ALA 103 CO -0.22 0.31 0.19 0.93 0.00 0.00 0.00 179.25 180.46 1iwq h GLU 104 N 0.97 0.54 -0.72 0.00 5.08 -1.76 0.13 114.58 118.81 1iwq h GLU 104 Ca 0.29 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1iwq h GLU 104 Cb -0.03 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1iwq h GLU 104 CO -0.09 0.47 0.43 1.25 -1.00 0.00 0.00 179.01 180.07 1iwq h LEU 105 N 0.47 0.87 -0.77 1.33 5.85 -0.84 -1.80 115.31 120.41 1iwq h LEU 105 Ca 0.13 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1iwq h LEU 105 Cb 0.11 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1iwq h LEU 105 CO -0.02 0.68 0.33 -0.09 -0.34 0.00 0.00 178.44 179.00 1iwq h ARG 106 N 0.99 1.15 -0.34 1.25 2.43 -0.71 -1.18 114.38 117.96 1iwq h ARG 106 Ca 0.26 -0.20 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 1iwq h ARG 106 Cb -0.03 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 1iwq h ARG 106 CO -0.05 0.92 0.15 0.45 -1.51 0.00 0.00 179.97 179.94 1iwq h HIS 107 N 1.11 0.28 -0.39 2.20 3.86 -0.55 -0.61 115.15 121.06 1iwq h HIS 107 Ca 0.26 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.48 1iwq h HIS 107 Cb 0.19 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1iwq h HIS 107 CO 0.02 0.14 0.22 0.28 0.86 0.00 0.00 177.93 179.45 1iwq h VAL 108 N 0.32 1.14 -0.53 2.45 2.07 -1.00 -1.90 116.25 118.81 1iwq h VAL 108 Ca 0.14 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1iwq h VAL 108 Cb 0.08 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1iwq h VAL 108 CO -0.12 0.15 0.12 0.24 0.02 0.00 0.00 177.57 177.98 1iwq h MET 109 N 0.50 0.81 -0.32 1.57 2.07 -1.04 -1.86 114.93 116.65 1iwq h MET 109 Ca 0.14 -0.17 -0.10 0.00 -2.07 0.00 0.00 59.70 57.50 1iwq h MET 109 Cb 0.04 -0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 29.64 1iwq h MET 109 CO -0.02 0.73 -0.22 1.15 1.07 0.00 0.00 176.91 179.62 1iwq h THR 110 N 0.78 1.26 0.00 2.22 2.02 -0.96 0.44 112.91 118.68 1iwq h THR 110 Ca 0.17 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.07 1iwq h THR 110 Cb 0.30 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1iwq h THR 110 CO -0.00 0.41 -0.07 -1.13 0.37 0.00 0.00 175.52 175.10 1iwq h ASN 111 N 0.54 0.00 -0.10 4.18 -1.24 -0.82 -1.97 115.58 116.18 1iwq h ASN 111 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 1iwq h ASN 111 Cb 0.67 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.72 1iwq h ASN 111 CO 0.05 0.07 0.00 0.18 -1.29 0.00 0.00 177.43 176.44 1iwq n LEU 112 N -3.20 0.94 -0.08 0.34 4.77 -0.75 -4.89 117.00 114.14 1iwq n LEU 112 Ca 0.00 -0.40 -0.01 0.00 -0.03 0.00 0.00 56.01 55.58 1iwq n LEU 112 Cb 0.34 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1iwq n LEU 112 CO 0.29 0.20 -0.01 0.61 -1.33 0.00 0.00 177.39 177.15 1iwq n GLY 113 N 0.98 0.49 3.34 -0.72 0.00 -0.74 -5.02 105.19 103.53 1iwq n GLY 113 Ca 0.15 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 1iwq n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iwq s GLU 114 N -0.97 3.00 0.07 1.61 0.41 0.08 -5.00 118.70 117.90 1iwq s GLU 114 Ca 0.00 -0.93 -0.30 0.00 -0.41 0.00 0.00 54.97 53.33 1iwq s GLU 114 Cb 0.00 -3.45 -0.05 0.00 -1.78 0.00 0.00 34.13 28.86 1iwq s GLU 114 CO 0.00 -0.51 0.96 -1.59 -0.49 0.00 0.00 175.26 173.63 1iwq s LYS 115 N 1.50 4.64 0.05 1.61 -2.85 -1.26 -3.33 119.74 120.10 1iwq s LYS 115 Ca 0.02 1.42 0.08 0.00 -1.00 0.00 0.00 55.97 56.49 1iwq s LYS 115 Cb -0.18 -3.41 -0.03 0.00 -2.06 0.00 0.00 37.83 32.16 1iwq s LYS 115 CO 0.03 0.12 -0.23 -0.51 0.10 0.00 0.00 175.35 174.87 1iwq s LEU 116 N 0.37 2.18 0.45 2.77 1.43 -1.26 -5.08 118.68 119.53 1iwq s LEU 116 Ca 0.48 -0.55 -0.18 0.00 -1.03 0.00 0.00 54.13 52.85 1iwq s LEU 116 Cb -0.22 -1.07 -0.10 0.00 0.03 0.00 0.00 46.19 44.83 1iwq s LEU 116 CO 0.29 0.19 0.93 0.42 0.23 0.00 0.00 176.35 178.40 1iwq s THR 117 N -0.82 4.49 0.46 5.49 -4.23 -1.26 -4.91 115.64 114.85 1iwq s THR 117 Ca 0.09 1.30 0.24 0.00 -1.18 0.00 0.00 61.69 62.15 1iwq s THR 117 Cb -0.09 -3.65 0.44 0.00 1.34 0.00 0.00 72.50 70.54 1iwq s THR 117 CO 0.02 -0.44 1.82 0.44 -0.54 0.00 0.00 174.62 175.93 1iwq h ASP 118 N 1.59 0.26 -0.11 3.99 3.32 -1.99 -0.57 116.42 122.91 1iwq h ASP 118 Ca -0.48 0.04 -0.19 0.00 0.02 0.00 0.00 57.03 56.42 1iwq h ASP 118 Cb 1.18 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1iwq h ASP 118 CO 0.62 0.07 -0.62 -0.33 -1.72 0.00 0.00 179.24 177.25 1iwq h GLU 119 N 0.24 0.72 -0.64 3.56 3.07 -1.98 -0.97 114.58 118.58 1iwq h GLU 119 Ca 0.52 -0.50 -0.03 0.00 -0.50 0.00 0.00 59.36 58.85 1iwq h GLU 119 Cb 1.60 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 29.56 1iwq h GLU 119 CO -0.15 1.12 0.28 0.93 -1.40 0.00 0.00 179.01 179.80 1iwq h GLU 120 N 0.54 0.94 -0.17 2.33 5.08 -1.49 0.08 114.58 121.89 1iwq h GLU 120 Ca -0.01 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1iwq h GLU 120 Cb 1.22 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1iwq h GLU 120 CO 0.13 0.77 -0.11 0.28 -1.00 0.00 0.00 179.01 179.08 1iwq h VAL 121 N 0.89 1.32 -0.97 3.13 2.07 -1.30 -1.42 116.25 119.98 1iwq h VAL 121 Ca 0.22 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.54 1iwq h VAL 121 Cb 0.16 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 1iwq h VAL 121 CO -0.02 0.36 0.64 0.44 0.02 0.00 0.00 177.57 179.01 1iwq h ASP 122 N 0.05 1.12 -0.48 0.57 3.32 -1.12 -1.06 116.42 118.82 1iwq h ASP 122 Ca 0.03 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1iwq h ASP 122 Cb 0.61 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1iwq h ASP 122 CO 0.03 0.81 0.10 -0.08 -1.72 0.00 0.00 179.24 178.39 1iwq h GLU 123 N 1.32 0.84 -0.37 3.56 4.81 -0.72 -0.94 114.58 123.08 1iwq h GLU 123 Ca 0.36 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 1iwq h GLU 123 Cb -0.15 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 1iwq h GLU 123 CO -0.08 0.78 -0.12 0.52 -0.73 0.00 0.00 179.01 179.38 1iwq h MET 124 N 0.81 0.74 -0.70 1.92 2.86 -0.13 -2.68 114.93 117.75 1iwq h MET 124 Ca 0.17 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1iwq h MET 124 Cb 0.33 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 1iwq h MET 124 CO 0.00 0.90 0.42 0.82 1.06 0.00 0.00 176.91 180.11 1iwq h ILE 125 N 0.54 1.20 -1.00 -1.22 1.08 -0.88 -2.48 117.51 114.75 1iwq h ILE 125 Ca 0.09 -0.46 0.11 0.00 -0.39 0.00 0.00 64.86 64.21 1iwq h ILE 125 Cb 0.64 0.24 -0.08 0.00 -3.07 0.00 0.00 36.82 34.56 1iwq h ILE 125 CO 0.04 0.21 0.63 -0.09 -0.69 0.00 0.00 178.15 178.26 1iwq h ARG 126 N 0.95 1.00 -0.62 2.37 2.43 -1.07 0.30 114.38 119.75 1iwq h ARG 126 Ca 0.25 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1iwq h ARG 126 Cb -0.02 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 29.25 1iwq h ARG 126 CO -0.05 0.66 0.35 1.49 -1.51 0.00 0.00 179.97 180.91 1iwq h GLU 127 N 1.03 0.63 0.00 0.20 4.81 -1.09 -3.00 114.58 117.16 1iwq h GLU 127 Ca 0.48 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1iwq h GLU 127 Cb 0.42 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1iwq h GLU 127 CO -0.24 0.42 -1.43 0.00 -0.73 0.00 0.00 179.01 177.03 1iwq n ALA 128 N -2.34 3.54 -2.27 2.92 0.00 -0.33 -4.85 120.51 117.18 1iwq n ALA 128 Ca 0.07 -0.51 -0.43 0.00 0.00 0.00 0.00 53.44 52.57 1iwq n ALA 128 Cb 0.14 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 1iwq n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1iwq s ASP 129 N -3.95 6.44 -0.18 0.00 2.15 0.92 -4.78 116.67 117.27 1iwq s ASP 129 Ca -0.00 1.29 -0.18 0.00 0.43 0.00 0.00 52.55 54.08 1iwq s ASP 129 Cb 0.15 -2.54 -0.21 0.00 -0.30 0.00 0.00 42.92 40.02 1iwq s ASP 129 CO 0.87 -1.26 0.27 0.40 -0.17 0.00 0.00 175.17 175.28 1iwq h ILE 130 N 6.19 0.86 0.00 4.11 2.04 -1.86 -3.39 117.51 125.46 1iwq h ILE 130 Ca -0.30 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.34 1iwq h ILE 130 Cb 1.12 2.32 0.00 0.00 -0.74 0.00 0.00 36.82 39.53 1iwq h ILE 130 CO 1.03 0.47 0.00 -0.90 0.00 0.00 0.00 178.15 178.75 1iwq n ASP 131 N -4.19 0.14 -0.15 1.72 3.85 -1.26 -4.92 116.55 111.73 1iwq n ASP 131 Ca -0.31 0.52 -0.02 0.00 -0.71 0.00 0.00 54.79 54.27 1iwq n ASP 131 Cb 0.77 -0.55 -0.01 0.00 -1.35 0.00 0.00 41.12 39.98 1iwq n ASP 131 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iwq n GLY 132 N 0.92 0.54 0.00 6.12 0.00 -1.26 -4.93 105.19 106.57 1iwq n GLY 132 Ca 0.05 -0.89 0.11 0.00 0.00 0.00 0.00 46.02 45.30 1iwq n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iwq n ASP 133 N 1.48 0.00 0.00 1.61 3.85 -1.26 -4.88 116.55 117.34 1iwq n ASP 133 Ca -0.02 -0.17 0.00 0.00 -0.71 0.00 0.00 54.79 53.89 1iwq n ASP 133 Cb 0.07 -0.23 0.00 0.00 -1.35 0.00 0.00 41.12 39.61 1iwq n ASP 133 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iwq n GLY 134 N 0.61 0.75 3.39 6.12 0.00 -1.26 -5.03 105.19 109.77 1iwq n GLY 134 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 1iwq n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iwq s GLN 135 N -0.23 1.52 -0.25 1.61 -0.21 -1.26 -4.60 119.66 116.23 1iwq s GLN 135 Ca 0.00 -1.82 0.00 0.00 0.02 0.00 0.00 55.36 53.56 1iwq s GLN 135 Cb 0.00 -0.65 0.04 0.00 1.00 0.00 0.00 33.01 33.40 1iwq s GLN 135 CO 0.00 -0.20 -0.08 0.08 -2.12 0.00 0.00 175.29 172.97 1iwq s VAL 136 N -3.45 2.56 0.77 1.09 1.01 -0.57 -4.68 120.40 117.13 1iwq s VAL 136 Ca 0.35 -1.29 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 1iwq s VAL 136 Cb 0.08 -2.38 0.13 0.00 0.00 0.00 0.00 36.38 34.21 1iwq s VAL 136 CO 0.14 0.10 1.07 0.54 0.00 0.00 0.00 175.10 176.95 1iwq s ASN 137 N 1.23 4.15 0.09 3.32 2.20 -1.26 0.18 114.94 124.85 1iwq s ASN 137 Ca -0.03 -0.08 -0.21 0.00 -0.94 0.00 0.00 52.86 51.59 1iwq s ASN 137 Cb -0.18 -0.27 -0.10 0.00 -2.00 0.00 0.00 41.25 38.69 1iwq s ASN 137 CO -0.05 -2.00 1.63 0.22 -2.94 0.00 0.00 177.10 173.96 1iwq h TYR 138 N -0.78 0.23 -0.80 1.54 3.20 -1.99 -0.65 116.97 117.72 1iwq h TYR 138 Ca -0.40 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.54 1iwq h TYR 138 Cb 1.27 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 39.40 1iwq h TYR 138 CO -0.33 0.30 0.47 0.93 -1.64 0.00 0.00 178.16 177.88 1iwq h GLU 139 N 0.11 0.79 -0.57 1.82 3.07 -1.95 0.29 114.58 118.13 1iwq h GLU 139 Ca 0.05 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1iwq h GLU 139 Cb 0.16 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1iwq h GLU 139 CO -0.00 0.52 0.19 0.93 -1.40 0.00 0.00 179.01 179.25 1iwq h GLU 140 N 0.82 0.89 -0.60 2.33 5.08 -1.83 0.14 114.58 121.41 1iwq h GLU 140 Ca 0.37 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1iwq h GLU 140 Cb 0.28 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1iwq h GLU 140 CO -0.22 0.79 0.09 0.35 -1.00 0.00 0.00 179.01 179.03 1iwq h PHE 141 N 0.80 1.03 -0.09 4.33 3.57 0.20 -0.43 116.94 126.36 1iwq h PHE 141 Ca 0.19 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1iwq h PHE 141 Cb 0.27 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1iwq h PHE 141 CO 0.02 0.88 0.00 0.28 -2.23 0.00 0.00 178.31 177.26 1iwq h VAL 142 N 0.92 1.24 -0.92 1.41 2.07 0.27 -0.75 116.25 120.49 1iwq h VAL 142 Ca 0.19 -0.76 0.09 0.00 0.82 0.00 0.00 66.70 67.04 1iwq h VAL 142 Cb 0.41 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 1iwq h VAL 142 CO 0.01 0.21 0.59 1.56 0.02 0.00 0.00 177.57 179.97 1iwq h GLN 143 N -0.12 0.92 -0.01 1.57 1.08 -0.58 0.15 115.11 118.12 1iwq h GLN 143 Ca 0.03 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1iwq h GLN 143 Cb 0.33 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1iwq h GLN 143 CO 0.00 0.61 0.00 1.98 -0.95 0.00 0.00 178.83 180.47 1iwq h MET 144 N 0.95 0.02 -0.10 1.46 4.05 -0.62 -3.28 114.93 117.40 1iwq h MET 144 Ca 0.43 -0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.67 1iwq h MET 144 Cb 0.38 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 1iwq h MET 144 CO -0.19 0.22 -0.66 0.52 0.23 0.00 0.00 176.91 177.04 1iwq h MET 145 N -0.19 0.41 0.00 0.39 2.86 -0.63 -3.51 114.93 114.25 1iwq h MET 145 Ca 0.00 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1iwq h MET 145 Cb 0.21 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1iwq h MET 145 CO -0.00 0.93 0.00 -2.37 1.06 0.00 0.00 176.91 176.53