#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1on1 s THR 3 N 0.00 3.22 0.39 12.58 -4.23 -1.26 -4.82 115.64 121.52 1on1 s THR 3 Ca 0.00 0.40 0.06 0.00 -1.18 0.00 0.00 61.69 60.96 1on1 s THR 3 Cb 0.00 -3.20 0.27 0.00 1.34 0.00 0.00 72.50 70.91 1on1 s THR 3 CO 0.00 -0.52 2.04 -0.65 -0.54 0.00 0.00 174.62 174.95 1on1 h PRO 4 N -0.97 0.64 -0.35 3.99 0.11 -1.99 0.31 132.00 133.74 1on1 h PRO 4 Ca -0.46 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 1on1 h PRO 4 Cb 1.26 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1on1 h PRO 4 CO 0.60 0.42 -0.32 1.03 -0.21 0.00 0.00 178.00 179.53 1on1 h SER 5 N 0.66 0.89 -0.51 -2.05 0.87 -1.97 -0.83 113.55 110.61 1on1 h SER 5 Ca 0.19 -0.46 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1on1 h SER 5 Cb -0.05 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.64 1on1 h SER 5 CO -0.04 1.16 0.23 0.24 -0.53 0.00 0.00 176.83 177.89 1on1 h MET 6 N 0.63 0.74 -0.60 2.24 2.86 -1.73 -1.90 114.93 117.16 1on1 h MET 6 Ca 0.06 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1on1 h MET 6 Cb 0.90 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 1on1 h MET 6 CO 0.08 0.63 0.32 0.93 1.06 0.00 0.00 176.91 179.94 1on1 h GLU 7 N 0.67 0.83 -0.70 1.72 5.08 -0.82 -1.04 114.58 120.33 1on1 h GLU 7 Ca 0.17 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1on1 h GLU 7 Cb 0.15 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1on1 h GLU 7 CO -0.02 0.64 0.38 0.22 -1.00 0.00 0.00 179.01 179.23 1on1 h ASP 8 N 0.81 0.86 -0.31 1.42 -0.00 -0.87 0.67 116.42 118.99 1on1 h ASP 8 Ca 0.21 -0.07 -0.10 0.00 -0.00 0.00 0.00 57.03 57.07 1on1 h ASP 8 Cb 0.05 -0.22 -0.01 0.00 -0.00 0.00 0.00 39.33 39.15 1on1 h ASP 8 CO -0.03 0.69 -0.18 1.88 -0.00 0.00 0.00 179.24 181.60 1on1 h TYR 9 N 0.97 0.79 -0.76 0.28 -1.99 -0.92 -1.65 116.97 113.69 1on1 h TYR 9 Ca 0.25 -0.20 -0.03 0.00 2.00 0.00 0.00 58.73 60.74 1on1 h TYR 9 Cb 0.03 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.55 1on1 h TYR 9 CO 0.01 0.91 0.36 0.82 -0.00 0.00 0.00 178.16 180.25 1on1 h ILE 10 N 0.44 1.24 -0.17 -2.88 2.04 -0.74 0.98 117.51 118.43 1on1 h ILE 10 Ca 0.07 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.24 1on1 h ILE 10 Cb 0.72 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1on1 h ILE 10 CO 0.05 0.29 0.09 -0.08 0.00 0.00 0.00 178.15 178.50 1on1 h GLU 11 N 1.07 0.18 -0.55 2.37 4.81 -0.78 0.61 114.58 122.30 1on1 h GLU 11 Ca 0.26 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.40 1on1 h GLU 11 Cb 0.13 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1on1 h GLU 11 CO -0.03 0.12 0.04 0.37 -0.73 0.00 0.00 179.01 178.78 1on1 h GLN 12 N 0.19 0.94 -0.47 1.92 5.75 -0.97 -1.11 115.11 121.37 1on1 h GLN 12 Ca 0.07 -0.28 -0.03 0.00 -0.15 0.00 0.00 58.65 58.26 1on1 h GLN 12 Cb 0.01 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 1on1 h GLN 12 CO -0.04 0.93 0.19 0.82 -2.65 0.00 0.00 178.83 178.07 1on1 h ILE 13 N 0.82 1.21 -0.79 2.39 2.04 -0.60 -0.94 117.51 121.64 1on1 h ILE 13 Ca 0.16 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 1on1 h ILE 13 Cb 0.48 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1on1 h ILE 13 CO 0.02 0.24 0.39 0.22 0.00 0.00 0.00 178.15 179.02 1on1 h TYR 14 N 0.61 1.14 -0.50 1.37 3.20 -0.72 -1.41 116.97 120.66 1on1 h TYR 14 Ca 0.16 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 1on1 h TYR 14 Cb 0.19 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 1on1 h TYR 14 CO 0.00 0.82 -0.00 0.52 -1.64 0.00 0.00 178.16 177.86 1on1 h MET 15 N 1.12 0.88 -0.65 1.82 2.86 -0.88 -1.79 114.93 118.30 1on1 h MET 15 Ca 0.27 -0.28 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1on1 h MET 15 Cb 0.11 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1on1 h MET 15 CO -0.04 0.92 0.24 -0.07 1.06 0.00 0.00 176.91 179.02 1on1 h LEU 16 N 0.74 0.91 -0.87 1.22 3.38 -0.90 0.13 115.31 119.93 1on1 h LEU 16 Ca 0.14 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1on1 h LEU 16 Cb 0.52 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1on1 h LEU 16 CO 0.03 0.85 0.31 0.40 0.09 0.00 0.00 178.44 180.12 1on1 h ILE 17 N 0.92 1.25 -0.11 1.22 2.04 -1.15 0.23 117.51 121.91 1on1 h ILE 17 Ca 0.21 -0.79 -0.13 0.00 1.00 0.00 0.00 64.86 65.15 1on1 h ILE 17 Cb 0.24 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1on1 h ILE 17 CO -0.01 0.32 -0.48 -0.33 0.00 0.00 0.00 178.15 177.65 1on1 h GLU 18 N 1.11 0.29 0.00 2.37 4.39 -0.81 0.22 114.58 122.15 1on1 h GLU 18 Ca 0.26 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1on1 h GLU 18 Cb 0.20 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1on1 h GLU 18 CO -0.02 0.72 -0.00 1.49 -1.16 0.00 0.00 179.01 180.03 1on1 h GLU 19 N 0.24 -0.00 0.00 2.33 4.81 -0.33 -3.41 114.58 118.22 1on1 h GLU 19 Ca 0.01 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.98 1on1 h GLU 19 Cb 0.94 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.27 1on1 h GLU 19 CO 0.08 0.89 -2.20 1.63 -0.73 0.00 0.00 179.01 178.68 1on1 n LYS 20 N -4.64 0.89 0.00 1.92 5.02 0.76 -4.99 118.16 117.11 1on1 n LYS 20 Ca -0.09 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1on1 n LYS 20 Cb 0.43 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1on1 n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1on1 n GLY 21 N 1.75 0.59 3.65 0.72 0.00 0.76 -5.03 105.19 107.63 1on1 n GLY 21 Ca -0.25 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 1on1 n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1on1 s TYR 22 N -2.00 -0.34 -0.27 1.61 -0.85 -1.24 -4.88 117.35 109.37 1on1 s TYR 22 Ca 0.00 0.01 -0.00 0.00 -0.52 0.00 0.00 57.07 56.55 1on1 s TYR 22 Cb 0.00 0.64 0.08 0.00 0.38 0.00 0.00 41.96 43.06 1on1 s TYR 22 CO 0.00 -1.03 0.04 0.00 -1.52 0.00 0.00 175.55 173.05 1on1 s ALA 23 N -3.79 1.66 0.23 9.51 0.00 -1.26 -3.75 121.76 124.35 1on1 s ALA 23 Ca 0.07 -1.48 -0.21 0.00 0.00 0.00 0.00 51.96 50.34 1on1 s ALA 23 Cb -0.03 -1.52 -0.08 0.00 0.00 0.00 0.00 23.12 21.48 1on1 s ALA 23 CO -0.02 -1.45 0.76 1.03 0.00 0.00 0.00 175.76 176.07 1on1 s ARG 24 N 1.55 4.33 0.29 0.00 0.52 -1.26 -4.05 118.95 120.33 1on1 s ARG 24 Ca 0.04 0.96 0.03 0.00 -0.52 0.00 0.00 55.73 56.25 1on1 s ARG 24 Cb -0.18 -2.92 0.64 0.00 0.52 0.00 0.00 34.95 33.01 1on1 s ARG 24 CO -0.15 0.40 1.81 0.28 0.02 0.00 0.00 175.30 177.66 1on1 h VAL 25 N 2.80 0.82 -0.49 3.52 2.07 -2.00 -1.09 116.25 121.90 1on1 h VAL 25 Ca -0.48 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1on1 h VAL 25 Cb 1.19 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1on1 h VAL 25 CO 0.65 0.16 0.32 0.77 0.02 0.00 0.00 177.57 179.49 1on1 h SER 26 N 0.89 0.56 -0.08 0.57 4.64 -1.98 0.24 113.55 118.39 1on1 h SER 26 Ca 0.54 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.74 1on1 h SER 26 Cb 0.68 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1on1 h SER 26 CO -0.32 0.42 -0.22 0.44 -0.87 0.00 0.00 176.83 176.27 1on1 h ASP 27 N 0.66 0.50 -0.28 4.97 3.45 -1.64 0.13 116.42 124.20 1on1 h ASP 27 Ca 0.18 -0.16 -0.12 0.00 0.43 0.00 0.00 57.03 57.36 1on1 h ASP 27 Cb -0.06 -0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 38.57 1on1 h ASP 27 CO -0.04 0.72 -0.28 0.40 -1.57 0.00 0.00 179.24 178.48 1on1 h ILE 28 N 0.44 1.30 -0.64 0.35 2.04 -0.84 -0.04 117.51 120.13 1on1 h ILE 28 Ca 0.07 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.47 1on1 h ILE 28 Cb 0.63 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1on1 h ILE 28 CO 0.05 0.46 0.37 0.00 0.00 0.00 0.00 178.15 179.02 1on1 h ALA 29 N 0.70 0.82 -0.33 1.87 0.00 -0.14 -1.53 119.26 120.66 1on1 h ALA 29 Ca 0.05 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1on1 h ALA 29 Cb 0.85 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1on1 h ALA 29 CO 0.07 0.32 -0.23 1.49 0.00 0.00 0.00 179.25 180.90 1on1 h GLU 30 N 0.87 0.74 -0.53 0.00 4.81 -0.65 -0.02 114.58 119.80 1on1 h GLU 30 Ca 0.23 -0.35 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 1on1 h GLU 30 Cb 0.01 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1on1 h GLU 30 CO -0.04 0.97 0.10 0.00 -0.73 0.00 0.00 179.01 179.31 1on1 h ALA 31 N 0.76 1.18 -0.01 2.92 0.00 -0.83 -2.76 119.26 120.51 1on1 h ALA 31 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1on1 h ALA 31 Cb 0.78 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1on1 h ALA 31 CO 0.06 0.55 -0.32 1.28 0.00 0.00 0.00 179.25 180.82 1on1 n LEU 32 N -4.26 1.37 -3.58 0.00 4.77 -0.59 -4.97 117.00 109.74 1on1 n LEU 32 Ca 0.04 -0.43 -0.19 0.00 -0.03 0.00 0.00 56.01 55.39 1on1 n LEU 32 Cb 0.24 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1on1 n LEU 32 CO 0.40 0.26 0.01 0.00 -1.33 0.00 0.00 177.39 176.73 1on1 n ALA 33 N -0.42 -2.01 -2.34 -1.18 0.00 -0.12 -5.01 120.51 109.42 1on1 n ALA 33 Ca 0.11 -0.12 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1on1 n ALA 33 Cb 0.39 -2.16 -0.10 0.00 0.00 0.00 0.00 19.45 17.57 1on1 n ALA 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1on1 s VAL 34 N -3.53 0.86 0.38 0.00 -7.23 -0.59 -5.04 120.40 105.24 1on1 s VAL 34 Ca 0.00 -2.01 -0.25 0.00 -1.81 0.00 0.00 61.98 57.92 1on1 s VAL 34 Cb -0.00 -2.53 -0.09 0.00 0.56 0.00 0.00 36.38 34.32 1on1 s VAL 34 CO 0.78 -0.15 1.07 -2.28 -0.31 0.00 0.00 175.10 174.21 1on1 s HIS 35 N -3.54 3.29 0.55 2.82 5.65 -1.26 -4.61 115.29 118.20 1on1 s HIS 35 Ca 0.33 1.65 0.25 0.00 0.25 0.00 0.00 55.06 57.54 1on1 s HIS 35 Cb 0.07 -3.18 1.47 0.00 -1.18 0.00 0.00 32.58 29.77 1on1 s HIS 35 CO 0.12 -0.68 2.05 -1.00 -0.65 0.00 0.00 174.74 174.57 1on1 h PRO 36 N 2.71 0.00 -0.57 2.88 0.13 -1.93 -0.73 132.00 134.50 1on1 h PRO 36 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 1on1 h PRO 36 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1on1 h PRO 36 CO 0.63 0.00 0.11 0.66 -0.23 0.00 0.00 178.00 179.17 1on1 h SER 37 N 0.00 0.85 -0.59 1.44 4.64 -1.99 -0.17 113.55 117.72 1on1 h SER 37 Ca 0.15 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 1on1 h SER 37 Cb 0.67 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 1on1 h SER 37 CO -0.00 0.84 0.21 0.28 -0.87 0.00 0.00 176.83 177.29 1on1 h SER 38 N 0.86 0.84 -0.33 4.97 0.02 -1.51 -1.53 113.55 116.88 1on1 h SER 38 Ca 0.18 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1on1 h SER 38 Cb 0.35 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1on1 h SER 38 CO 0.00 0.81 0.12 0.58 -1.14 0.00 0.00 176.83 177.20 1on1 h VAL 39 N 0.83 1.19 -0.57 2.27 2.07 -1.19 -2.15 116.25 118.71 1on1 h VAL 39 Ca 0.19 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.16 1on1 h VAL 39 Cb 0.25 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1on1 h VAL 39 CO -0.01 0.20 0.32 0.74 0.02 0.00 0.00 177.57 178.84 1on1 h THR 40 N 0.38 1.01 -0.57 2.57 2.02 -0.80 0.27 112.91 117.79 1on1 h THR 40 Ca 0.11 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1on1 h THR 40 Cb 0.20 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1on1 h THR 40 CO -0.01 0.11 0.35 0.50 0.37 0.00 0.00 175.52 176.85 1on1 h LYS 41 N 0.62 0.76 -0.30 6.66 3.64 -1.14 -0.74 116.57 126.08 1on1 h LYS 41 Ca 0.24 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1on1 h LYS 41 Cb 0.09 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1on1 h LYS 41 CO -0.13 0.54 -0.04 1.98 -2.27 0.00 0.00 179.45 179.52 1on1 h MET 42 N 0.77 0.55 -0.79 1.90 4.05 -0.72 -2.39 114.93 118.30 1on1 h MET 42 Ca 0.20 -0.20 0.05 0.00 -0.28 0.00 0.00 59.70 59.47 1on1 h MET 42 Cb -0.04 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.67 1on1 h MET 42 CO -0.04 0.73 0.49 0.28 0.23 0.00 0.00 176.91 178.60 1on1 h VAL 43 N 0.33 1.07 -0.54 -5.77 2.07 -0.24 0.13 116.25 113.30 1on1 h VAL 43 Ca 0.08 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1on1 h VAL 43 Cb 0.50 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1on1 h VAL 43 CO 0.02 0.17 0.19 1.56 0.02 0.00 0.00 177.57 179.53 1on1 h GLN 44 N 0.93 0.79 -0.28 1.57 4.20 -1.03 -0.16 115.11 121.13 1on1 h GLN 44 Ca 0.33 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.83 1on1 h GLN 44 Cb 0.09 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1on1 h GLN 44 CO -0.14 0.67 -0.14 -0.22 -0.67 0.00 0.00 178.83 178.33 1on1 h LYS 45 N 0.78 0.59 0.00 1.46 3.64 -0.68 -1.09 116.57 121.27 1on1 h LYS 45 Ca 0.18 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1on1 h LYS 45 Cb 0.19 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1on1 h LYS 45 CO -0.01 0.83 -0.22 -0.07 -2.27 0.00 0.00 179.45 177.70 1on1 h LEU 46 N 0.33 0.00 -0.01 5.20 3.38 -0.32 -0.17 115.31 123.72 1on1 h LEU 46 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1on1 h LEU 46 Cb 0.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1on1 h LEU 46 CO 0.04 0.22 -0.02 -0.78 0.09 0.00 0.00 178.44 178.00 1on1 h ASP 47 N 0.00 0.04 -1.00 -0.43 3.58 -0.81 0.11 116.42 117.90 1on1 h ASP 47 Ca -0.00 -0.52 0.09 0.00 0.42 0.00 0.00 57.03 57.01 1on1 h ASP 47 Cb 0.40 -0.01 -0.08 0.00 1.72 0.00 0.00 39.33 41.36 1on1 h ASP 47 CO 0.03 0.55 0.64 0.50 -2.88 0.00 0.00 179.24 178.08 1on1 h LYS 48 N -0.48 1.06 -0.23 0.28 3.64 -0.76 -0.29 116.57 119.78 1on1 h LYS 48 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1on1 h LYS 48 Cb 0.55 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1on1 h LYS 48 CO 0.00 0.70 0.00 -0.25 -2.27 0.00 0.00 179.45 177.64 1on1 n ASP 49 N -4.56 0.92 -1.75 4.20 10.43 -0.11 -4.92 116.55 120.76 1on1 n ASP 49 Ca 0.17 -2.02 -0.16 0.00 2.57 0.00 0.00 54.79 55.35 1on1 n ASP 49 Cb 0.26 -0.15 -0.02 0.00 1.84 0.00 0.00 41.12 43.06 1on1 n ASP 49 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1on1 n GLU 50 N -0.04 -1.26 0.07 -1.24 1.02 -0.12 -4.90 120.64 114.17 1on1 n GLU 50 Ca 0.05 0.81 0.11 0.00 -0.02 0.00 0.00 57.16 58.12 1on1 n GLU 50 Cb 0.16 -5.18 -0.04 0.00 -0.02 0.00 0.00 31.44 26.36 1on1 n GLU 50 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1on1 n TYR 51 N -3.83 0.69 -3.84 -0.32 4.02 0.34 -4.51 117.16 109.72 1on1 n TYR 51 Ca -0.19 0.20 -0.07 0.00 -0.01 0.00 0.00 57.90 57.83 1on1 n TYR 51 Cb 0.63 -0.82 -0.01 0.00 -0.02 0.00 0.00 39.34 39.12 1on1 n TYR 51 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 176.86 175.37 1on1 s LEU 52 N -5.07 -0.18 0.00 7.72 0.05 -1.21 -1.74 118.68 118.26 1on1 s LEU 52 Ca -0.02 -0.74 0.00 0.00 0.05 0.00 0.00 54.13 53.42 1on1 s LEU 52 Cb 0.11 2.71 0.00 0.00 -2.05 0.00 0.00 46.19 46.95 1on1 s LEU 52 CO 0.82 -1.40 0.00 -0.38 -0.55 0.00 0.00 176.35 174.84 1on1 n ILE 53 N -0.49 0.00 -3.24 1.48 2.08 0.11 -4.21 119.36 115.09 1on1 n ILE 53 Ca -0.05 0.06 -0.07 0.00 0.56 0.00 0.00 62.75 63.24 1on1 n ILE 53 Cb 0.59 -0.85 0.00 0.00 -0.75 0.00 0.00 39.64 38.64 1on1 n ILE 53 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1on1 n GLY 59 N 3.21 -0.23 3.67 7.39 0.00 -1.26 -4.82 105.19 113.15 1on1 n GLY 59 Ca 0.00 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1on1 n GLY 59 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1on1 s LEU 60 N -3.93 4.34 -0.11 0.99 2.96 -1.26 -4.99 118.68 116.68 1on1 s LEU 60 Ca 0.05 2.31 0.02 0.00 -0.22 0.00 0.00 54.13 56.28 1on1 s LEU 60 Cb -0.03 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.14 1on1 s LEU 60 CO 0.19 -0.92 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.46 1on1 s VAL 61 N 3.78 1.48 0.38 1.68 1.01 -1.26 -4.43 120.40 123.04 1on1 s VAL 61 Ca 0.74 -0.63 -0.24 0.00 0.00 0.00 0.00 61.98 61.85 1on1 s VAL 61 Cb -0.35 -1.35 -0.09 0.00 0.00 0.00 0.00 36.38 34.59 1on1 s VAL 61 CO 0.31 0.44 1.02 -0.76 0.00 0.00 0.00 175.10 176.10 1on1 s LEU 62 N 0.96 4.19 0.70 3.92 1.43 -1.26 0.04 118.68 128.65 1on1 s LEU 62 Ca -0.07 1.97 -0.04 0.00 -1.03 0.00 0.00 54.13 54.95 1on1 s LEU 62 Cb -0.15 -4.15 0.08 0.00 0.03 0.00 0.00 46.19 42.00 1on1 s LEU 62 CO -0.01 -0.36 0.98 0.42 0.23 0.00 0.00 176.35 177.61 1on1 s THR 63 N -1.67 2.31 0.43 5.49 -4.23 -0.71 -4.80 115.64 112.45 1on1 s THR 63 Ca 0.56 -0.41 0.10 0.00 -1.18 0.00 0.00 61.69 60.75 1on1 s THR 63 Cb -0.20 -2.90 0.28 0.00 1.34 0.00 0.00 72.50 71.02 1on1 s THR 63 CO 0.26 0.00 2.05 0.77 -0.54 0.00 0.00 174.62 177.16 1on1 h SER 64 N -0.52 0.40 -0.34 3.99 4.64 -1.90 0.12 113.55 119.94 1on1 h SER 64 Ca -0.42 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 1on1 h SER 64 Cb 1.29 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1on1 h SER 64 CO 0.52 0.28 0.17 0.50 -0.87 0.00 0.00 176.83 177.42 1on1 h LYS 65 N 0.46 0.48 -0.21 4.77 3.64 -1.88 -0.86 116.57 122.97 1on1 h LYS 65 Ca 0.17 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.35 1on1 h LYS 65 Cb 0.10 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1on1 h LYS 65 CO -0.04 0.42 -0.44 0.78 -2.27 0.00 0.00 179.45 177.91 1on1 h GLY 66 N 0.41 0.56 1.02 5.01 0.00 -1.21 -2.80 103.07 106.07 1on1 h GLY 66 Ca 0.12 -0.58 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 1on1 h GLY 66 CO -0.02 0.52 -0.13 0.50 0.00 0.00 0.00 176.54 177.41 1on1 h LYS 67 N 0.42 0.86 -0.53 4.80 1.57 -0.64 0.70 116.57 123.75 1on1 h LYS 67 Ca 0.03 -0.34 0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1on1 h LYS 67 Cb 0.93 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 1on1 h LYS 67 CO 0.08 0.98 0.34 0.87 -0.57 0.00 0.00 179.45 181.15 1on1 h LYS 68 N 0.69 0.66 -0.27 3.15 1.57 -1.11 -0.13 116.57 121.12 1on1 h LYS 68 Ca 0.11 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1on1 h LYS 68 Cb 0.68 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1on1 h LYS 68 CO 0.05 0.43 -0.09 0.82 -0.57 0.00 0.00 179.45 180.09 1on1 h ILE 69 N 0.68 1.29 -0.42 1.86 1.08 -1.36 -2.39 117.51 118.24 1on1 h ILE 69 Ca 0.20 -1.14 0.04 0.00 -0.39 0.00 0.00 64.86 63.57 1on1 h ILE 69 Cb -0.03 1.48 -0.04 0.00 -3.07 0.00 0.00 36.82 35.16 1on1 h ILE 69 CO -0.07 0.36 0.18 1.23 -0.69 0.00 0.00 178.15 179.16 1on1 h GLY 70 N 0.28 0.56 1.01 5.37 0.00 -0.54 0.11 103.07 109.85 1on1 h GLY 70 Ca 0.06 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.28 1on1 h GLY 70 CO 0.03 0.07 0.54 1.70 0.00 0.00 0.00 176.54 178.88 1on1 h LYS 71 N 0.37 1.08 -0.36 4.80 3.64 -1.00 -1.15 116.57 123.96 1on1 h LYS 71 Ca 0.18 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1on1 h LYS 71 Cb 0.13 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1on1 h LYS 71 CO -0.16 0.71 0.13 0.00 -2.27 0.00 0.00 179.45 177.86 1on1 h ARG 72 N 1.11 0.55 -0.61 1.90 2.47 -0.83 -1.64 114.38 117.33 1on1 h ARG 72 Ca 0.30 -0.11 -0.03 0.00 -1.26 0.00 0.00 59.98 58.89 1on1 h ARG 72 Cb -0.13 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.08 1on1 h ARG 72 CO -0.06 0.55 0.28 -0.07 0.56 0.00 0.00 179.97 181.22 1on1 h LEU 73 N 0.43 0.79 -0.32 3.04 3.38 -0.38 0.46 115.31 122.70 1on1 h LEU 73 Ca 0.12 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 1on1 h LEU 73 Cb 0.22 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1on1 h LEU 73 CO -0.01 0.68 -0.47 0.58 0.09 0.00 0.00 178.44 179.32 1on1 h VAL 74 N 0.87 1.28 -0.38 1.22 2.07 -1.06 -0.33 116.25 119.92 1on1 h VAL 74 Ca 0.21 -1.65 0.01 0.00 0.82 0.00 0.00 66.70 66.10 1on1 h VAL 74 Cb 0.12 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1on1 h VAL 74 CO -0.03 0.54 0.23 0.22 0.02 0.00 0.00 177.57 178.56 1on1 h TYR 75 N 0.68 0.43 -0.40 1.57 3.20 -0.81 -0.71 116.97 120.93 1on1 h TYR 75 Ca 0.03 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1on1 h TYR 75 Cb 1.07 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 1on1 h TYR 75 CO 0.07 0.25 0.22 0.00 -1.64 0.00 0.00 178.16 177.06 1on1 h ARG 76 N 0.46 0.56 -0.30 1.82 3.08 -0.77 0.20 114.38 119.43 1on1 h ARG 76 Ca 0.15 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1on1 h ARG 76 Cb -0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1on1 h ARG 76 CO -0.06 0.45 0.19 1.25 -1.07 0.00 0.00 179.97 180.73 1on1 h HIS 77 N 0.51 0.38 -0.67 3.04 2.76 -0.72 -0.63 115.15 119.82 1on1 h HIS 77 Ca 0.14 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.27 1on1 h HIS 77 Cb 0.06 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 1on1 h HIS 77 CO -0.02 0.26 0.25 0.93 -1.30 0.00 0.00 177.93 178.05 1on1 h GLU 78 N 0.40 1.02 -0.59 5.26 4.39 -0.94 -1.61 114.58 122.50 1on1 h GLU 78 Ca 0.11 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 1on1 h GLU 78 Cb -0.02 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 1on1 h GLU 78 CO -0.02 0.86 0.17 1.25 -1.16 0.00 0.00 179.01 180.11 1on1 h LEU 79 N 0.96 0.87 -0.92 1.33 5.85 -0.74 -1.19 115.31 121.47 1on1 h LEU 79 Ca 0.22 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1on1 h LEU 79 Cb 0.23 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1on1 h LEU 79 CO -0.02 0.85 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.70 1on1 h LEU 80 N 0.84 0.59 -0.42 2.25 3.38 -0.88 0.41 115.31 121.47 1on1 h LEU 80 Ca 0.19 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1on1 h LEU 80 Cb 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1on1 h LEU 80 CO -0.00 0.78 -0.16 -0.33 0.09 0.00 0.00 178.44 178.81 1on1 h GLU 81 N 0.54 0.85 -0.75 1.13 5.08 -1.00 -1.94 114.58 118.48 1on1 h GLU 81 Ca 0.09 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1on1 h GLU 81 Cb 0.60 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1on1 h GLU 81 CO 0.04 0.99 0.38 1.96 -1.00 0.00 0.00 179.01 181.39 1on1 h GLN 82 N 0.68 1.06 0.40 2.33 4.20 -0.82 0.79 115.11 123.74 1on1 h GLN 82 Ca 0.10 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1on1 h GLN 82 Cb 0.72 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1on1 h GLN 82 CO 0.05 0.80 -0.19 0.35 -0.67 0.00 0.00 178.83 179.18 1on1 h PHE 83 N 1.06 -0.49 -0.33 2.96 3.57 -0.73 0.17 116.94 123.15 1on1 h PHE 83 Ca 0.26 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 1on1 h PHE 83 Cb 0.07 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1on1 h PHE 83 CO 0.01 -0.26 0.00 -0.07 -2.23 0.00 0.00 178.31 175.76 1on1 h LEU 84 N -0.62 0.47 -0.01 0.59 3.38 -1.17 -2.17 115.31 115.79 1on1 h LEU 84 Ca -0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1on1 h LEU 84 Cb 0.46 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1on1 h LEU 84 CO 0.09 0.54 0.00 -0.09 0.09 0.00 0.00 178.44 179.07 1on1 h ARG 85 N 0.48 0.02 -0.96 1.13 2.43 -0.61 -1.59 114.38 115.29 1on1 h ARG 85 Ca 0.11 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.33 1on1 h ARG 85 Cb 0.32 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 1on1 h ARG 85 CO 0.01 0.28 0.62 0.82 -1.51 0.00 0.00 179.97 180.20 1on1 h ILE 86 N -0.25 1.10 -0.02 1.20 2.04 -0.41 -1.83 117.51 119.35 1on1 h ILE 86 Ca 0.00 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1on1 h ILE 86 Cb 0.27 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1on1 h ILE 86 CO 0.00 0.21 0.00 2.30 0.00 0.00 0.00 178.15 180.66 1on1 n ILE 87 N -4.48 0.02 -0.29 -0.67 -5.35 -0.84 -4.91 119.36 102.84 1on1 n ILE 87 Ca 0.14 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 1on1 n ILE 87 Cb 0.17 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 1on1 n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1on1 n GLY 88 N 0.85 0.85 3.76 3.28 0.00 -0.69 -5.06 105.19 108.19 1on1 n GLY 88 Ca 0.15 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1on1 n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1on1 s VAL 89 N -2.00 2.81 0.06 1.61 1.01 -0.61 -4.89 120.40 118.39 1on1 s VAL 89 Ca 0.00 0.79 -0.34 0.00 0.00 0.00 0.00 61.98 62.42 1on1 s VAL 89 Cb 0.00 -3.50 -0.13 0.00 0.00 0.00 0.00 36.38 32.74 1on1 s VAL 89 CO 0.00 0.18 1.66 0.47 0.00 0.00 0.00 175.10 177.41 1on1 n ASP 90 N 1.09 3.07 -0.30 3.32 8.00 -1.26 -4.72 116.55 125.76 1on1 n ASP 90 Ca 0.01 1.05 0.13 0.00 0.71 0.00 0.00 54.79 56.69 1on1 n ASP 90 Cb 0.42 -1.38 0.28 0.00 -0.02 0.00 0.00 41.12 40.42 1on1 n ASP 90 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1on1 h GLU 91 N 6.88 0.18 -0.07 -1.24 4.57 -1.96 -0.45 114.58 122.49 1on1 h GLU 91 Ca -0.46 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 57.73 1on1 h GLU 91 Cb 1.27 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1on1 h GLU 91 CO 0.90 0.12 0.07 1.05 -1.18 0.00 0.00 179.01 179.97 1on1 h GLU 92 N 0.19 0.00 0.00 1.92 4.11 -2.03 -2.41 114.58 116.36 1on1 h GLU 92 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.98 1on1 h GLU 92 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1on1 h GLU 92 CO -0.67 0.00 -0.83 1.63 0.07 0.00 0.00 179.01 179.21 1on1 n LYS 93 N -3.94 0.14 0.12 1.06 5.02 -0.19 -4.52 118.16 115.85 1on1 n LYS 93 Ca -0.01 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.15 1on1 n LYS 93 Cb 0.17 -1.55 -0.07 0.00 -0.02 0.00 0.00 35.03 33.56 1on1 n LYS 93 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1on1 h ILE 94 N 0.00 0.83 -0.11 -0.18 2.04 -1.35 -3.06 117.51 115.68 1on1 h ILE 94 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1on1 h ILE 94 Cb 0.61 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 1on1 h ILE 94 CO 0.00 0.00 -0.21 0.22 0.00 0.00 0.00 178.15 178.16 1on1 h TYR 95 N -0.22 -0.56 -0.51 1.37 3.20 -1.79 -1.17 116.97 117.27 1on1 h TYR 95 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1on1 h TYR 95 Cb 0.18 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 1on1 h TYR 95 CO -0.07 -0.29 0.33 -0.91 -1.64 0.00 0.00 178.16 175.57 1on1 h ASN 96 N -0.28 0.59 -0.08 -2.11 -0.26 -1.85 -0.79 115.58 110.81 1on1 h ASN 96 Ca 0.09 -0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.79 1on1 h ASN 96 Cb 0.42 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 37.53 1on1 h ASN 96 CO -0.27 0.44 -0.04 0.44 -1.06 0.00 0.00 177.43 176.94 1on1 h ASP 97 N 0.70 0.16 -0.61 5.81 3.45 -1.32 -2.77 116.42 121.84 1on1 h ASP 97 Ca 0.19 -0.41 0.03 0.00 0.43 0.00 0.00 57.03 57.27 1on1 h ASP 97 Cb -0.07 -0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 38.62 1on1 h ASP 97 CO -0.04 0.54 0.36 0.58 -1.57 0.00 0.00 179.24 179.11 1on1 h VAL 98 N -0.21 1.04 -0.80 -1.35 2.07 -0.88 -2.01 116.25 114.12 1on1 h VAL 98 Ca 0.02 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.36 1on1 h VAL 98 Cb 0.48 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1on1 h VAL 98 CO 0.01 0.13 0.52 -0.33 0.02 0.00 0.00 177.57 177.92 1on1 h GLU 99 N 0.70 0.83 0.00 1.57 4.39 -1.14 0.01 114.58 120.95 1on1 h GLU 99 Ca 0.25 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1on1 h GLU 99 Cb 0.06 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1on1 h GLU 99 CO -0.12 0.55 -0.38 0.78 -1.16 0.00 0.00 179.01 178.68 1on1 h GLY 100 N 0.86 0.00 0.00 -3.84 0.00 -1.09 -3.38 103.07 95.61 1on1 h GLY 100 Ca 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.58 1on1 h GLY 100 CO -0.12 0.00 -1.54 0.29 0.00 0.00 0.00 176.54 175.17 1on1 n ILE 101 N -2.36 0.36 -0.32 2.60 -5.35 -0.82 -4.74 119.36 108.73 1on1 n ILE 101 Ca 0.04 -0.31 0.21 0.00 -0.27 0.00 0.00 62.75 62.42 1on1 n ILE 101 Cb 0.46 -0.33 0.48 0.00 -1.74 0.00 0.00 39.64 38.51 1on1 n ILE 101 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 1on1 h GLU 102 N 0.00 0.44 -0.46 6.28 4.11 -1.19 -0.37 114.58 123.39 1on1 h GLU 102 Ca -0.14 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.26 1on1 h GLU 102 Cb 1.09 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1on1 h GLU 102 CO 0.01 0.29 0.00 0.72 0.07 0.00 0.00 179.01 180.10 1on1 n HIS 103 N -4.67 0.64 -0.83 2.06 8.25 -1.26 -3.90 115.22 115.51 1on1 n HIS 103 Ca 0.25 -0.31 0.06 0.00 -0.26 0.00 0.00 57.72 57.46 1on1 n HIS 103 Cb 0.83 -0.02 0.08 0.00 1.12 0.00 0.00 29.99 32.00 1on1 n HIS 103 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1on1 n HIS 104 N 0.77 0.00 -4.71 4.41 8.25 -0.15 -4.77 115.22 119.02 1on1 n HIS 104 Ca 0.15 -0.72 -0.33 0.00 -0.26 0.00 0.00 57.72 56.56 1on1 n HIS 104 Cb 0.40 -0.10 -0.13 0.00 1.12 0.00 0.00 29.99 31.28 1on1 n HIS 104 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1on1 s LEU 105 N -1.94 2.92 0.80 2.41 1.43 -1.22 -5.11 118.68 117.96 1on1 s LEU 105 Ca 0.18 -0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 1on1 s LEU 105 Cb 0.16 -1.64 0.07 0.00 0.03 0.00 0.00 46.19 44.81 1on1 s LEU 105 CO 0.02 0.26 1.10 -0.94 0.23 0.00 0.00 176.35 177.01 1on1 s SER 106 N -0.19 4.21 0.38 2.29 1.04 -1.26 -4.83 113.70 115.34 1on1 s SER 106 Ca 0.01 1.83 0.09 0.00 0.48 0.00 0.00 55.95 58.35 1on1 s SER 106 Cb -0.13 -2.49 0.77 0.00 0.10 0.00 0.00 66.02 64.27 1on1 s SER 106 CO 0.03 -2.22 1.92 -0.50 0.98 0.00 0.00 173.24 173.45 1on1 h TRP 107 N -1.26 0.31 -0.36 5.02 4.06 -1.99 -1.50 115.95 120.23 1on1 h TRP 107 Ca -0.44 -0.03 0.01 0.00 2.06 0.00 0.00 58.89 60.48 1on1 h TRP 107 Cb 1.24 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 29.29 1on1 h TRP 107 CO 0.55 0.38 0.23 -0.97 -3.56 0.00 0.00 178.44 175.08 1on1 h ASN 108 N 0.29 0.40 -0.61 -3.49 -1.24 -1.99 0.76 115.58 109.69 1on1 h ASN 108 Ca 0.06 -0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.02 1on1 h ASN 108 Cb 0.33 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.26 1on1 h ASN 108 CO 0.02 0.29 0.19 0.28 -1.29 0.00 0.00 177.43 176.92 1on1 h SER 109 N 0.48 0.88 -0.33 1.15 0.02 -1.77 -1.62 113.55 112.35 1on1 h SER 109 Ca 0.13 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1on1 h SER 109 Cb -0.04 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 1on1 h SER 109 CO -0.04 0.85 0.22 0.40 -1.14 0.00 0.00 176.83 177.12 1on1 h ILE 110 N 0.86 1.09 -0.60 3.27 1.08 -0.79 -0.13 117.51 122.28 1on1 h ILE 110 Ca 0.20 -0.17 -0.06 0.00 -0.39 0.00 0.00 64.86 64.44 1on1 h ILE 110 Cb 0.28 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 1on1 h ILE 110 CO -0.01 0.09 0.13 0.44 -0.69 0.00 0.00 178.15 178.11 1on1 h ASP 111 N 0.45 0.88 0.48 1.72 3.32 -0.68 0.10 116.42 122.69 1on1 h ASP 111 Ca 0.12 -0.17 -0.11 0.00 0.02 0.00 0.00 57.03 56.89 1on1 h ASP 111 Cb -0.04 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1on1 h ASP 111 CO -0.03 0.86 -0.51 0.03 -1.72 0.00 0.00 179.24 177.87 1on1 h ARG 112 N 0.90 0.03 -0.15 3.56 2.47 -0.98 -1.12 114.38 119.09 1on1 h ARG 112 Ca 0.19 -0.02 -0.13 0.00 -1.26 0.00 0.00 59.98 58.76 1on1 h ARG 112 Cb 0.34 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 1on1 h ARG 112 CO 0.00 0.54 -0.47 0.82 0.56 0.00 0.00 179.97 181.42 1on1 h ILE 113 N 0.03 1.33 -0.59 2.04 2.04 -0.44 -1.25 117.51 120.66 1on1 h ILE 113 Ca -0.00 -1.68 -0.05 0.00 1.00 0.00 0.00 64.86 64.13 1on1 h ILE 113 Cb 0.92 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 1on1 h ILE 113 CO 0.07 0.51 0.17 1.23 0.00 0.00 0.00 178.15 180.13 1on1 h GLY 114 N 1.21 1.00 1.40 5.37 0.00 -0.24 -0.43 103.07 111.37 1on1 h GLY 114 Ca 0.02 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.69 1on1 h GLY 114 CO 0.08 0.56 0.08 -0.55 0.00 0.00 0.00 176.54 176.71 1on1 h ASP 115 N 0.84 0.71 -0.36 0.19 3.32 -0.92 -1.10 116.42 119.10 1on1 h ASP 115 Ca 0.19 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1on1 h ASP 115 Cb 0.31 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1on1 h ASP 115 CO -0.00 0.72 0.08 0.25 -1.72 0.00 0.00 179.24 178.57 1on1 h LEU 116 N 0.72 0.56 -0.63 1.55 5.85 -0.65 0.58 115.31 123.28 1on1 h LEU 116 Ca 0.16 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1on1 h LEU 116 Cb 0.32 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1on1 h LEU 116 CO 0.00 0.66 0.33 0.58 -0.34 0.00 0.00 178.44 179.67 1on1 h VAL 117 N 0.43 1.21 -0.82 1.05 2.07 -0.79 -2.23 116.25 117.17 1on1 h VAL 117 Ca 0.11 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1on1 h VAL 117 Cb 0.32 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1on1 h VAL 117 CO 0.00 0.24 0.50 -0.61 0.02 0.00 0.00 177.57 177.72 1on1 h GLN 118 N 0.87 1.11 -0.47 1.57 5.75 -0.91 -0.50 115.11 122.53 1on1 h GLN 118 Ca 0.22 -0.10 0.09 0.00 -0.15 0.00 0.00 58.65 58.71 1on1 h GLN 118 Cb 0.08 -0.24 -0.08 0.00 1.07 0.00 0.00 27.48 28.32 1on1 h GLN 118 CO -0.03 0.78 0.02 -0.92 -2.65 0.00 0.00 178.83 176.02 1on1 h TYR 119 N 1.13 0.00 0.03 3.99 3.20 -0.31 -0.94 116.97 124.08 1on1 h TYR 119 Ca 0.30 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.96 1on1 h TYR 119 Cb -0.06 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1on1 h TYR 119 CO -0.01 -0.09 -1.02 0.74 -1.64 0.00 0.00 178.16 176.15 1on1 h PHE 120 N 0.13 0.59 -0.15 -3.82 -1.00 -1.02 -3.32 116.94 108.36 1on1 h PHE 120 Ca 0.24 -0.35 -0.08 0.00 2.81 0.00 0.00 57.97 60.59 1on1 h PHE 120 Cb 0.35 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 1on1 h PHE 120 CO -0.29 1.19 -0.28 0.93 -1.61 0.00 0.00 178.31 178.25 1on1 h GLU 121 N 0.20 0.27 0.00 1.51 4.39 -0.70 -3.12 114.58 117.13 1on1 h GLU 121 Ca -0.10 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 1on1 h GLU 121 Cb 1.67 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.30 1on1 h GLU 121 CO 0.17 0.53 -0.11 1.05 -1.16 0.00 0.00 179.01 179.49 1on1 h GLU 122 N 0.24 0.00 -2.16 2.33 4.11 -1.28 -3.41 114.58 114.42 1on1 h GLU 122 Ca 0.04 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.15 1on1 h GLU 122 Cb 0.62 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 29.54 1on1 h GLU 122 CO 0.04 0.11 -0.63 0.34 0.07 0.00 0.00 179.01 178.95 1on1 s ASP 123 N -6.05 1.60 0.60 3.06 -1.08 -1.18 -5.01 116.67 108.61 1on1 s ASP 123 Ca 0.03 -0.68 0.29 0.00 -0.52 0.00 0.00 52.55 51.67 1on1 s ASP 123 Cb 0.08 0.53 1.56 0.00 -1.46 0.00 0.00 42.92 43.63 1on1 s ASP 123 CO 0.62 -0.38 1.97 -0.78 0.52 0.00 0.00 175.17 177.12 1on1 h ASP 124 N 8.26 0.00 -0.62 -0.34 1.82 -1.81 -0.35 116.42 123.39 1on1 h ASP 124 Ca -0.14 0.00 0.05 0.00 -0.39 0.00 0.00 57.03 56.55 1on1 h ASP 124 Cb 1.08 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.06 1on1 h ASP 124 CO 0.33 0.00 0.41 0.00 -1.61 0.00 0.00 179.24 178.37 1on1 h ALA 125 N 1.56 1.74 -0.48 -0.78 0.00 -1.95 -0.11 119.26 119.24 1on1 h ALA 125 Ca 0.14 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1on1 h ALA 125 Cb 0.87 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1on1 h ALA 125 CO -0.00 0.17 -0.06 0.00 0.00 0.00 0.00 179.25 179.36 1on1 h ARG 126 N 0.66 0.83 -0.35 0.00 3.08 -1.37 -0.96 114.38 116.27 1on1 h ARG 126 Ca 0.26 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1on1 h ARG 126 Cb 0.19 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1on1 h ARG 126 CO -0.08 0.87 0.02 0.87 -1.07 0.00 0.00 179.97 180.59 1on1 h LYS 127 N 0.76 0.61 -0.77 0.04 1.57 -1.15 -1.16 116.57 116.46 1on1 h LYS 127 Ca 0.14 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1on1 h LYS 127 Cb 0.55 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1on1 h LYS 127 CO 0.03 0.71 0.48 0.87 -0.57 0.00 0.00 179.45 180.97 1on1 h LYS 128 N 0.42 1.04 -0.64 3.15 1.79 -1.00 -0.23 116.57 121.11 1on1 h LYS 128 Ca 0.10 -0.09 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 1on1 h LYS 128 Cb 0.42 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 1on1 h LYS 128 CO 0.01 0.73 0.25 -0.44 -1.08 0.00 0.00 179.45 178.92 1on1 h ASP 129 N 1.06 0.89 -0.82 0.86 3.32 -0.97 -1.06 116.42 119.70 1on1 h ASP 129 Ca 0.28 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1on1 h ASP 129 Cb -0.06 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.23 1on1 h ASP 129 CO -0.05 0.82 0.35 0.25 -1.72 0.00 0.00 179.24 178.89 1on1 h LEU 130 N 0.90 1.11 -1.04 1.55 5.85 -0.71 -2.54 115.31 120.43 1on1 h LEU 130 Ca 0.21 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1on1 h LEU 130 Cb 0.21 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1on1 h LEU 130 CO -0.02 0.96 -0.26 0.11 -0.34 0.00 0.00 178.44 178.90 1on1 h LYS 131 N 1.18 0.37 -0.42 1.25 1.57 -0.64 -2.66 116.57 117.23 1on1 h LYS 131 Ca 0.28 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1on1 h LYS 131 Cb 0.18 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1on1 h LYS 131 CO -0.03 0.61 0.04 0.77 -0.57 0.00 0.00 179.45 180.27 1on1 h SER 132 N 0.33 0.62 -0.23 0.86 0.02 -0.79 -2.51 113.55 111.85 1on1 h SER 132 Ca 0.05 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.77 1on1 h SER 132 Cb 0.64 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1on1 h SER 132 CO 0.05 0.66 -0.25 0.40 -1.14 0.00 0.00 176.83 176.54 1on1 h ILE 133 N 0.63 1.27 0.00 3.27 2.04 -1.24 -2.36 117.51 121.13 1on1 h ILE 133 Ca 0.14 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 1on1 h ILE 133 Cb 0.33 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1on1 h ILE 133 CO 0.01 0.45 -0.04 1.56 0.00 0.00 0.00 178.15 180.12 1on1 h GLN 134 N 0.61 0.00 -0.04 2.37 4.20 -1.24 -2.55 115.11 118.47 1on1 h GLN 134 Ca 0.08 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.59 1on1 h GLN 134 Cb 0.75 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.54 1on1 h GLN 134 CO 0.06 0.04 -0.76 0.87 -0.67 0.00 0.00 178.83 178.38 1on1 h LYS 135 N 0.00 0.58 0.00 1.46 1.57 -1.27 -3.52 116.57 115.39 1on1 h LYS 135 Ca -0.00 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1on1 h LYS 135 Cb 0.18 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1on1 h LYS 135 CO 0.01 1.19 0.00 1.63 -0.57 0.00 0.00 179.45 181.71