#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jy7 n LEU 2 N 0.00 -6.07 -4.35 6.55 4.77 -1.26 -5.02 117.00 111.61 1jy7 n LEU 2 Ca 0.00 0.58 -0.30 0.00 -0.03 0.00 0.00 56.01 56.26 1jy7 n LEU 2 Cb 0.00 -2.62 0.28 0.00 -2.33 0.00 0.00 43.42 38.75 1jy7 n LEU 2 CO 0.00 -1.81 0.44 -0.94 -1.33 0.00 0.00 177.39 173.75 1jy7 s SER 3 N -1.75 -0.63 0.08 -1.43 1.04 -1.26 -4.72 113.70 105.04 1jy7 s SER 3 Ca 0.11 0.91 -0.28 0.00 0.48 0.00 0.00 55.95 57.17 1jy7 s SER 3 Cb -0.03 -1.32 -0.17 0.00 0.10 0.00 0.00 66.02 64.60 1jy7 s SER 3 CO 0.53 -5.11 1.68 1.55 0.98 0.00 0.00 173.24 172.87 1jy7 h PRO 4 N -3.25 -0.46 -0.59 4.02 0.13 -2.00 -2.93 132.00 126.93 1jy7 h PRO 4 Ca -0.46 0.03 0.12 0.00 -0.87 0.00 0.00 66.00 64.82 1jy7 h PRO 4 Cb 1.34 0.10 -0.10 0.00 0.13 0.00 0.00 31.00 32.47 1jy7 h PRO 4 CO 0.32 -0.31 0.01 0.00 -0.23 0.00 0.00 178.00 177.79 1jy7 h ALA 5 N 0.18 0.58 -1.22 -0.56 0.00 -1.98 -1.31 119.26 114.95 1jy7 h ALA 5 Ca -0.05 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jy7 h ALA 5 Cb 0.37 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1jy7 h ALA 5 CO 0.07 -0.38 0.00 -0.25 0.00 0.00 0.00 179.25 178.69 1jy7 n ASP 6 N -5.26 0.00 0.28 0.00 10.43 -1.12 -0.08 116.55 120.81 1jy7 n ASP 6 Ca 0.08 0.80 0.12 0.00 2.57 0.00 0.00 54.79 58.36 1jy7 n ASP 6 Cb 0.33 -0.30 0.67 0.00 1.84 0.00 0.00 41.12 43.66 1jy7 n ASP 6 CO 0.00 0.00 0.00 0.07 -1.07 0.00 0.00 177.20 176.20 1jy7 h LYS 7 N 0.00 0.00 0.01 -1.24 2.10 -1.39 0.10 116.57 116.15 1jy7 h LYS 7 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1jy7 h LYS 7 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1jy7 h LYS 7 CO 0.00 0.00 -0.10 1.15 -2.00 0.00 0.00 179.45 178.50 1jy7 h THR 8 N 0.00 1.71 -0.26 0.07 2.02 0.44 -3.12 112.91 113.77 1jy7 h THR 8 Ca 0.00 -2.23 0.00 0.00 0.77 0.00 0.00 66.41 64.96 1jy7 h THR 8 Cb 0.66 3.21 -0.01 0.00 -1.74 0.00 0.00 68.15 70.27 1jy7 h THR 8 CO 0.00 0.59 0.17 0.78 0.37 0.00 0.00 175.52 177.42 1jy7 h ASN 9 N -0.85 0.30 -0.59 4.18 4.21 0.14 -2.81 115.58 120.16 1jy7 h ASN 9 Ca -0.02 -0.02 0.12 0.00 1.21 0.00 0.00 56.30 57.60 1jy7 h ASN 9 Cb 1.02 -0.08 -0.11 0.00 -1.12 0.00 0.00 38.32 38.04 1jy7 h ASN 9 CO 0.02 0.23 -0.09 0.58 -1.29 0.00 0.00 177.43 176.88 1jy7 h VAL 10 N 0.34 0.44 0.41 2.81 2.07 -1.29 -2.35 116.25 118.69 1jy7 h VAL 10 Ca 0.09 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1jy7 h VAL 10 Cb -0.03 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1jy7 h VAL 10 CO -0.02 0.01 -0.30 0.11 0.02 0.00 0.00 177.57 177.39 1jy7 h LYS 11 N 0.04 -0.67 -0.32 1.57 1.57 -1.44 -0.21 116.57 117.10 1jy7 h LYS 11 Ca 0.30 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.19 1jy7 h LYS 11 Cb 0.46 0.15 -0.08 0.00 0.08 0.00 0.00 32.23 32.84 1jy7 h LYS 11 CO -0.57 -0.45 -0.33 0.00 -0.57 0.00 0.00 179.45 177.52 1jy7 h ALA 12 N -0.19 -0.26 -0.19 3.86 0.00 -1.22 1.05 119.26 122.31 1jy7 h ALA 12 Ca -0.04 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1jy7 h ALA 12 Cb 0.60 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1jy7 h ALA 12 CO 0.01 -0.76 -0.00 0.00 0.00 0.00 0.00 179.25 178.50 1jy7 h ALA 13 N 0.63 0.25 0.00 0.00 0.00 -1.43 0.15 119.26 118.87 1jy7 h ALA 13 Ca 0.15 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jy7 h ALA 13 Cb 0.54 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jy7 h ALA 13 CO -0.49 -0.03 -0.02 2.35 0.00 0.00 0.00 179.25 181.06 1jy7 h TRP 14 N 0.08 0.00 -0.07 0.00 2.91 -0.76 -0.87 115.95 117.24 1jy7 h TRP 14 Ca 0.05 0.00 -0.19 0.00 1.13 0.00 0.00 58.89 59.88 1jy7 h TRP 14 Cb 0.40 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.06 1jy7 h TRP 14 CO 0.04 0.02 -0.70 0.78 -1.03 0.00 0.00 178.44 177.54 1jy7 h GLY 15 N 1.48 0.66 1.96 2.65 0.00 0.20 -3.05 103.07 106.97 1jy7 h GLY 15 Ca -0.00 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 46.30 1jy7 h GLY 15 CO 0.00 0.91 0.00 0.28 0.00 0.00 0.00 176.54 177.73 1jy7 n LYS 16 N -4.08 0.00 -0.03 4.80 4.76 0.46 -2.98 118.16 121.08 1jy7 n LYS 16 Ca -0.09 0.47 -0.01 0.00 -2.87 0.00 0.00 58.31 55.81 1jy7 n LYS 16 Cb 0.71 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.40 1jy7 n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1jy7 h VAL 17 N 0.00 0.00 0.00 -0.18 2.07 -1.40 -3.49 116.25 113.26 1jy7 h VAL 17 Ca 0.00 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1jy7 h VAL 17 Cb 0.01 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1jy7 h VAL 17 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1jy7 n GLY 18 N 1.82 1.34 0.21 2.17 0.00 -1.16 -2.39 105.19 107.18 1jy7 n GLY 18 Ca -0.01 0.24 0.13 0.00 0.00 0.00 0.00 46.02 46.38 1jy7 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jy7 h ALA 19 N -0.71 1.00 0.00 4.61 0.00 -1.93 -3.15 119.26 119.08 1jy7 h ALA 19 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1jy7 h ALA 19 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jy7 h ALA 19 CO 0.00 0.00 -0.38 0.45 0.00 0.00 0.00 179.25 179.32 1jy7 h HIS 20 N 0.00 0.00 -0.98 0.00 -0.00 -1.86 -3.32 115.15 108.99 1jy7 h HIS 20 Ca 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 60.37 60.66 1jy7 h HIS 20 Cb 0.84 0.00 -0.18 0.00 -0.00 0.00 0.00 27.41 28.07 1jy7 h HIS 20 CO 0.00 0.38 0.12 0.00 -0.00 0.00 0.00 177.93 178.42 1jy7 h ALA 21 N 1.62 1.31 -0.32 2.45 0.00 -1.71 0.20 119.26 122.82 1jy7 h ALA 21 Ca -0.00 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1jy7 h ALA 21 Cb 1.03 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1jy7 h ALA 21 CO 0.05 -0.61 0.15 0.78 0.00 0.00 0.00 179.25 179.61 1jy7 h GLY 22 N 0.03 0.49 0.94 0.00 0.00 -1.83 -1.24 103.07 101.46 1jy7 h GLY 22 Ca 0.63 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.69 1jy7 h GLY 22 CO -0.88 0.23 -0.22 0.83 0.00 0.00 0.00 176.54 176.51 1jy7 h GLU 23 N 0.38 -0.58 -1.00 4.80 5.08 -0.92 -2.68 114.58 119.65 1jy7 h GLU 23 Ca 0.11 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.64 1jy7 h GLU 23 Cb 0.12 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.42 1jy7 h GLU 23 CO -0.01 -0.36 0.63 1.88 -1.00 0.00 0.00 179.01 180.15 1jy7 h TYR 24 N -0.67 1.12 0.20 4.33 0.99 -1.03 -1.60 116.97 120.32 1jy7 h TYR 24 Ca -0.06 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.71 1jy7 h TYR 24 Cb 0.50 -0.36 -0.03 0.00 1.00 0.00 0.00 36.73 37.84 1jy7 h TYR 24 CO -0.03 0.43 -0.33 0.78 -0.00 0.00 0.00 178.16 179.01 1jy7 h GLY 25 N 0.96 -0.68 1.11 3.88 0.00 -0.95 0.31 103.07 107.70 1jy7 h GLY 25 Ca 0.50 0.39 0.01 0.00 0.00 0.00 0.00 47.33 48.23 1jy7 h GLY 25 CO -0.27 -0.26 0.59 0.00 0.00 0.00 0.00 176.54 176.60 1jy7 h ALA 26 N -0.01 1.37 0.00 3.60 0.00 -1.12 -2.09 119.26 121.01 1jy7 h ALA 26 Ca 0.01 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jy7 h ALA 26 Cb 0.60 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1jy7 h ALA 26 CO -0.15 0.58 -0.07 1.49 0.00 0.00 0.00 179.25 181.10 1jy7 h GLU 27 N 1.21 -0.12 -0.16 0.00 4.81 -0.69 -0.65 114.58 118.97 1jy7 h GLU 27 Ca 0.33 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.62 1jy7 h GLU 27 Cb -0.13 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.22 1jy7 h GLU 27 CO -0.07 -0.08 -0.33 0.00 -0.73 0.00 0.00 179.01 177.80 1jy7 h ALA 28 N 0.85 -0.36 -0.44 2.92 0.00 -0.47 -0.08 119.26 121.69 1jy7 h ALA 28 Ca 0.03 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1jy7 h ALA 28 Cb 0.16 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 18.50 1jy7 h ALA 28 CO -0.07 -0.80 -0.17 -0.07 0.00 0.00 0.00 179.25 178.14 1jy7 h LEU 29 N -0.38 -0.60 -0.00 0.00 3.38 -0.92 -1.93 115.31 114.86 1jy7 h LEU 29 Ca 0.10 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.24 1jy7 h LEU 29 Cb 0.55 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1jy7 h LEU 29 CO -0.38 -0.21 -0.10 -0.08 0.09 0.00 0.00 178.44 177.77 1jy7 h GLU 30 N -0.08 -0.17 -0.99 1.13 4.81 -0.49 -2.29 114.58 116.51 1jy7 h GLU 30 Ca 0.21 0.01 0.21 0.00 -0.13 0.00 0.00 59.36 59.66 1jy7 h GLU 30 Cb 0.40 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.73 1jy7 h GLU 30 CO -0.49 -0.11 0.62 0.00 -0.73 0.00 0.00 179.01 178.29 1jy7 h ARG 31 N -0.17 0.60 0.48 1.92 3.08 -0.30 -2.43 114.38 117.55 1jy7 h ARG 31 Ca 0.04 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1jy7 h ARG 31 Cb 0.22 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1jy7 h ARG 31 CO -0.10 0.40 -0.23 1.98 -1.07 0.00 0.00 179.97 180.94 1jy7 h MET 32 N 0.62 -0.62 -0.98 0.04 4.05 -0.84 -1.47 114.93 115.73 1jy7 h MET 32 Ca 0.56 0.04 0.20 0.00 -0.28 0.00 0.00 59.70 60.22 1jy7 h MET 32 Cb 1.07 0.14 -0.09 0.00 -0.80 0.00 0.00 31.60 31.92 1jy7 h MET 32 CO -0.32 -0.33 0.62 0.74 0.23 0.00 0.00 176.91 177.85 1jy7 h PHE 33 N -1.05 0.85 -0.03 1.39 0.04 -1.20 0.17 116.94 117.10 1jy7 h PHE 33 Ca -0.07 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 1jy7 h PHE 33 Cb 0.58 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1jy7 h PHE 33 CO 0.01 0.19 -0.10 -0.07 -0.60 0.00 0.00 178.31 177.75 1jy7 h LEU 34 N 0.61 0.15 -0.06 1.54 3.38 -1.45 -3.10 115.31 116.37 1jy7 h LEU 34 Ca 0.54 -0.61 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 1jy7 h LEU 34 Cb 1.05 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.77 1jy7 h LEU 34 CO -0.30 0.73 -0.60 0.28 0.09 0.00 0.00 178.44 178.64 1jy7 h SER 35 N -0.44 0.63 -3.07 -0.43 0.02 -0.81 -3.38 113.55 106.07 1jy7 h SER 35 Ca -0.00 -0.69 -0.63 0.00 -0.84 0.00 0.00 61.79 59.63 1jy7 h SER 35 Cb 0.72 -0.19 -0.41 0.00 0.14 0.00 0.00 62.40 62.66 1jy7 h SER 35 CO 0.02 1.23 -0.51 0.49 -1.14 0.00 0.00 176.83 176.92 1jy7 n PHE 36 N -4.18 3.40 -0.34 3.45 3.01 0.56 -4.96 117.46 118.40 1jy7 n PHE 36 Ca -0.09 -4.29 0.25 0.00 1.01 0.00 0.00 57.45 54.33 1jy7 n PHE 36 Cb 0.66 -0.69 0.53 0.00 -0.01 0.00 0.00 39.48 39.97 1jy7 n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1jy7 h PRO 37 N 5.39 0.34 -0.83 -1.08 0.11 -1.72 -1.81 132.00 132.40 1jy7 h PRO 37 Ca 0.15 -0.02 0.23 0.00 0.11 0.00 0.00 66.00 66.48 1jy7 h PRO 37 Cb 0.75 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.75 1jy7 h PRO 37 CO 0.74 0.22 0.59 0.00 -0.21 0.00 0.00 178.00 179.35 1jy7 h THR 38 N 0.35 0.60 0.00 -1.15 1.03 -1.93 -1.15 112.91 110.66 1jy7 h THR 38 Ca 0.64 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 67.02 1jy7 h THR 38 Cb 1.67 0.55 0.00 0.00 -1.07 0.00 0.00 68.15 69.30 1jy7 h THR 38 CO -0.33 0.01 0.00 0.71 -0.01 0.00 0.00 175.52 175.90 1jy7 h THR 39 N 0.04 0.00 0.00 0.00 1.35 -1.67 -3.02 112.91 109.62 1jy7 h THR 39 Ca 0.40 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 1jy7 h THR 39 Cb 1.53 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1jy7 h THR 39 CO -0.02 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.36 1jy7 h LYS 40 N 0.00 0.00 -0.06 4.72 1.57 -1.42 -3.11 116.57 118.27 1jy7 h LYS 40 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1jy7 h LYS 40 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1jy7 h LYS 40 CO 0.00 0.00 0.06 1.15 -0.57 0.00 0.00 179.45 180.09 1jy7 h THR 41 N 0.00 0.59 0.00 -0.16 2.02 -1.74 -1.99 112.91 111.63 1jy7 h THR 41 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1jy7 h THR 41 Cb 0.27 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1jy7 h THR 41 CO 0.00 0.00 -0.06 -1.22 0.37 0.00 0.00 175.52 174.61 1jy7 n TYR 42 N -3.96 0.77 -3.27 3.16 4.01 -1.18 -4.17 117.16 112.52 1jy7 n TYR 42 Ca -0.02 0.22 -0.26 0.00 -0.16 0.00 0.00 57.90 57.69 1jy7 n TYR 42 Cb 0.15 -0.85 -0.07 0.00 -0.31 0.00 0.00 39.34 38.27 1jy7 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1jy7 n PHE 43 N -2.14 2.74 0.35 -0.72 3.01 -0.75 -4.96 117.46 114.99 1jy7 n PHE 43 Ca 0.06 -3.99 -0.16 0.00 1.01 0.00 0.00 57.45 54.36 1jy7 n PHE 43 Cb 0.42 -0.50 -0.08 0.00 -0.01 0.00 0.00 39.48 39.31 1jy7 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1jy7 h PRO 44 N 3.83 -0.86 -0.13 -1.08 0.13 -1.73 -3.18 132.00 128.98 1jy7 h PRO 44 Ca 0.15 0.06 0.04 0.00 -0.87 0.00 0.00 66.00 65.38 1jy7 h PRO 44 Cb 0.69 0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1jy7 h PRO 44 CO 0.74 -0.54 0.21 1.12 -0.23 0.00 0.00 178.00 179.30 1jy7 h HIS 45 N -1.07 0.00 -4.20 1.56 2.07 -1.94 -3.45 115.15 108.12 1jy7 h HIS 45 Ca -0.09 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.89 1jy7 h HIS 45 Cb 0.72 0.00 0.17 0.00 2.57 0.00 0.00 27.41 30.87 1jy7 h HIS 45 CO -0.00 0.00 0.37 -0.06 -3.07 0.00 0.00 177.93 175.16 1jy7 s PHE 46 N -4.45 1.96 -0.32 6.12 2.99 -1.20 -5.02 117.98 118.04 1jy7 s PHE 46 Ca -0.04 1.63 -0.11 0.00 0.00 0.00 0.00 56.93 58.41 1jy7 s PHE 46 Cb 0.14 -3.46 -0.01 0.00 0.00 0.00 0.00 43.02 39.69 1jy7 s PHE 46 CO 0.47 -2.68 0.18 0.34 -0.00 0.00 0.00 175.22 173.53 1jy7 s ASP 47 N -2.14 5.72 -0.17 1.36 3.68 -1.26 -4.99 116.67 118.86 1jy7 s ASP 47 Ca 0.73 -0.52 0.16 0.00 2.13 0.00 0.00 52.55 55.05 1jy7 s ASP 47 Cb -0.28 -2.05 0.65 0.00 -1.45 0.00 0.00 42.92 39.79 1jy7 s ASP 47 CO 0.48 -0.22 1.56 0.18 0.13 0.00 0.00 175.17 177.30 1jy7 n LEU 48 N 5.02 4.62 0.00 -1.34 7.99 -1.26 -4.56 117.00 127.47 1jy7 n LEU 48 Ca -0.13 -2.81 -0.16 0.00 -0.01 0.00 0.00 56.01 52.90 1jy7 n LEU 48 Cb 0.49 -0.58 0.15 0.00 -0.11 0.00 0.00 43.42 43.38 1jy7 n LEU 48 CO 0.35 0.69 0.18 -1.54 -1.51 0.00 0.00 177.39 175.56 1jy7 n SER 49 N 0.25 -3.06 -0.04 -1.43 3.41 -1.26 -4.94 113.62 106.54 1jy7 n SER 49 Ca 0.24 -0.47 -0.13 0.00 -0.26 0.00 0.00 58.87 58.25 1jy7 n SER 49 Cb 0.96 -0.51 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 1jy7 n SER 49 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1jy7 h HIS 50 N -2.82 0.32 0.07 7.33 2.76 -2.04 -3.33 115.15 117.45 1jy7 h HIS 50 Ca -0.20 -0.11 -0.25 0.00 -2.20 0.00 0.00 60.37 57.62 1jy7 h HIS 50 Cb 0.68 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 1jy7 h HIS 50 CO 0.00 0.72 -1.12 0.78 -1.30 0.00 0.00 177.93 177.01 1jy7 h GLY 51 N -0.17 0.22 0.00 5.26 0.00 -1.98 -3.49 103.07 102.91 1jy7 h GLY 51 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1jy7 h GLY 51 CO 0.03 0.47 0.00 -1.26 0.00 0.00 0.00 176.54 175.78 1jy7 n SER 52 N -3.51 0.00 0.17 0.19 2.88 -1.25 -4.57 113.62 107.53 1jy7 n SER 52 Ca -0.05 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.53 1jy7 n SER 52 Cb 0.97 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.67 1jy7 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jy7 h ALA 53 N 0.00 0.89 -0.59 -1.46 0.00 -1.94 -0.82 119.26 115.35 1jy7 h ALA 53 Ca 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1jy7 h ALA 53 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1jy7 h ALA 53 CO 0.00 0.54 0.23 1.96 0.00 0.00 0.00 179.25 181.98 1jy7 h GLN 54 N 0.00 0.88 -0.06 0.00 4.20 -1.88 1.28 115.11 119.53 1jy7 h GLN 54 Ca -0.00 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.47 1jy7 h GLN 54 Cb 1.04 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1jy7 h GLN 54 CO 0.06 0.76 -0.26 0.28 -0.67 0.00 0.00 178.83 178.99 1jy7 h VAL 55 N 0.81 1.44 -0.98 -0.54 2.07 -1.78 0.53 116.25 117.79 1jy7 h VAL 55 Ca 0.20 -1.67 0.04 0.00 0.82 0.00 0.00 66.70 66.08 1jy7 h VAL 55 Cb 0.20 2.35 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 1jy7 h VAL 55 CO -0.02 0.47 0.64 0.50 0.02 0.00 0.00 177.57 179.19 1jy7 h LYS 56 N -0.23 1.19 0.09 1.57 1.63 -0.97 0.44 116.57 120.28 1jy7 h LYS 56 Ca -0.01 -0.07 -0.25 0.00 -0.85 0.00 0.00 60.65 59.46 1jy7 h LYS 56 Cb 0.90 -0.27 0.02 0.00 -0.60 0.00 0.00 32.23 32.29 1jy7 h LYS 56 CO 0.05 0.78 -1.03 0.78 -3.45 0.00 0.00 179.45 176.59 1jy7 h GLY 57 N 1.22 0.61 2.00 5.01 0.00 0.17 -3.18 103.07 108.90 1jy7 h GLY 57 Ca 0.40 -1.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 1jy7 h GLY 57 CO -0.13 1.10 -0.03 0.84 0.00 0.00 0.00 176.54 178.31 1jy7 h HIS 58 N 0.12 0.00 -0.16 5.60 -0.00 0.33 -2.62 115.15 118.42 1jy7 h HIS 58 Ca -0.15 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.14 1jy7 h HIS 58 Cb 1.73 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 29.13 1jy7 h HIS 58 CO 0.13 0.03 -0.24 0.78 -0.00 0.00 0.00 177.93 178.63 1jy7 h GLY 59 N 2.34 0.32 1.29 5.26 0.00 -0.11 -2.60 103.07 109.57 1jy7 h GLY 59 Ca -0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 47.33 46.79 1jy7 h GLY 59 CO 0.00 0.22 -1.26 1.70 0.00 0.00 0.00 176.54 177.21 1jy7 h LYS 60 N 0.26 0.58 -0.72 4.80 3.64 -1.50 -2.88 116.57 120.76 1jy7 h LYS 60 Ca 0.04 -0.79 0.13 0.00 -1.27 0.00 0.00 60.65 58.76 1jy7 h LYS 60 Cb 0.58 0.27 -0.09 0.00 -0.41 0.00 0.00 32.23 32.57 1jy7 h LYS 60 CO 0.04 1.36 0.27 0.87 -2.27 0.00 0.00 179.45 179.72 1jy7 h LYS 61 N 0.25 0.40 -0.14 1.90 1.57 -1.32 -0.28 116.57 118.96 1jy7 h LYS 61 Ca -0.19 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.37 1jy7 h LYS 61 Cb 1.93 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.15 1jy7 h LYS 61 CO 0.24 0.26 -0.74 0.28 -0.57 0.00 0.00 179.45 178.92 1jy7 h VAL 62 N 0.41 1.31 0.25 0.50 2.07 -1.55 -3.02 116.25 116.23 1jy7 h VAL 62 Ca 0.39 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.90 1jy7 h VAL 62 Cb 0.59 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1jy7 h VAL 62 CO -0.40 0.63 -0.23 0.00 0.02 0.00 0.00 177.57 177.59 1jy7 h ALA 63 N 0.72 -0.48 -0.95 1.67 0.00 -1.07 -2.31 119.26 116.84 1jy7 h ALA 63 Ca -0.04 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.92 1jy7 h ALA 63 Cb 1.34 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 19.36 1jy7 h ALA 63 CO 0.14 -0.80 0.58 -0.44 0.00 0.00 0.00 179.25 178.73 1jy7 h ASP 64 N -0.50 0.81 -0.45 0.00 3.32 -1.14 -1.25 116.42 117.21 1jy7 h ASP 64 Ca -0.01 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.11 1jy7 h ASP 64 Cb 0.46 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1jy7 h ASP 64 CO -0.03 0.41 0.29 0.00 -1.72 0.00 0.00 179.24 178.18 1jy7 h ALA 65 N 1.54 0.57 -0.70 3.45 0.00 -1.34 -0.39 119.26 122.39 1jy7 h ALA 65 Ca 0.49 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.32 1jy7 h ALA 65 Cb 0.55 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1jy7 h ALA 65 CO -0.29 -0.01 0.20 -0.07 0.00 0.00 0.00 179.25 179.09 1jy7 h LEU 66 N 0.58 1.02 0.06 0.00 3.38 -0.72 -1.16 115.31 118.47 1jy7 h LEU 66 Ca 0.17 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jy7 h LEU 66 Cb -0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1jy7 h LEU 66 CO -0.05 0.96 -0.07 0.74 0.09 0.00 0.00 178.44 180.10 1jy7 h THR 67 N 1.04 0.82 -0.48 0.22 2.02 -0.79 0.83 112.91 116.57 1jy7 h THR 67 Ca 0.23 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.45 1jy7 h THR 67 Cb 0.31 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 1jy7 h THR 67 CO -0.01 0.00 0.22 -1.13 0.37 0.00 0.00 175.52 174.98 1jy7 h ASN 68 N -0.16 0.30 0.45 4.18 -0.73 -0.85 -0.52 115.58 118.26 1jy7 h ASN 68 Ca 0.01 0.04 -0.05 0.00 1.87 0.00 0.00 56.30 58.17 1jy7 h ASN 68 Cb 0.16 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 1jy7 h ASN 68 CO -0.04 0.21 -0.22 0.00 -0.37 0.00 0.00 177.43 177.02 1jy7 h ALA 69 N 1.28 1.29 -0.29 1.57 0.00 -0.88 -0.07 119.26 122.15 1jy7 h ALA 69 Ca 0.22 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1jy7 h ALA 69 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1jy7 h ALA 69 CO -0.17 0.27 -0.45 0.28 0.00 0.00 0.00 179.25 179.17 1jy7 h VAL 70 N 0.00 1.29 0.58 0.00 2.07 0.42 -2.58 116.25 118.03 1jy7 h VAL 70 Ca -0.00 -1.64 -0.03 0.00 0.82 0.00 0.00 66.70 65.85 1jy7 h VAL 70 Cb 0.50 1.55 0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1jy7 h VAL 70 CO 0.03 0.53 -0.28 0.00 0.02 0.00 0.00 177.57 177.87 1jy7 h ALA 71 N 0.89 -0.96 -0.29 1.67 0.00 -0.02 -3.20 119.26 117.35 1jy7 h ALA 71 Ca 0.04 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1jy7 h ALA 71 Cb 1.01 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 1jy7 h ALA 71 CO 0.10 -0.91 0.25 0.72 0.00 0.00 0.00 179.25 179.41 1jy7 n HIS 72 N -4.59 0.94 -0.23 0.00 8.25 -0.15 -4.62 115.22 114.82 1jy7 n HIS 72 Ca -0.10 -1.48 0.02 0.00 -0.26 0.00 0.00 57.72 55.90 1jy7 n HIS 72 Cb 0.30 -0.73 0.10 0.00 1.12 0.00 0.00 29.99 30.79 1jy7 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1jy7 h VAL 73 N 0.89 0.39 0.00 1.59 3.04 -1.45 0.51 116.25 121.21 1jy7 h VAL 73 Ca 0.18 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.85 1jy7 h VAL 73 Cb 1.04 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1jy7 h VAL 73 CO 0.44 0.01 0.00 0.47 -1.01 0.00 0.00 177.57 177.48 1jy7 n ASP 74 N -5.37 0.04 -2.79 3.17 10.43 -1.26 -3.91 116.55 116.86 1jy7 n ASP 74 Ca 0.10 -0.71 -0.01 0.00 2.57 0.00 0.00 54.79 56.74 1jy7 n ASP 74 Cb 0.38 -0.02 0.01 0.00 1.84 0.00 0.00 41.12 43.34 1jy7 n ASP 74 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1jy7 s ASP 75 N -1.52 -0.67 -0.18 -2.24 3.68 0.17 -5.06 116.67 110.85 1jy7 s ASP 75 Ca 0.00 -0.58 0.04 0.00 2.13 0.00 0.00 52.55 54.14 1jy7 s ASP 75 Cb 0.00 0.86 -0.22 0.00 -1.45 0.00 0.00 42.92 42.12 1jy7 s ASP 75 CO 0.00 -0.05 0.10 0.23 0.13 0.00 0.00 175.17 175.58 1jy7 n MET 76 N 3.25 0.69 0.13 4.34 2.81 -1.23 -3.74 117.12 123.38 1jy7 n MET 76 Ca 0.11 0.17 0.08 0.00 -1.81 0.00 0.00 57.70 56.24 1jy7 n MET 76 Cb 0.62 -1.61 0.42 0.00 -0.71 0.00 0.00 33.22 31.94 1jy7 n MET 76 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1jy7 n PRO 77 N -3.20 0.10 -0.13 0.03 -0.04 -1.26 -0.78 135.00 129.71 1jy7 n PRO 77 Ca -0.36 0.58 -0.28 0.00 -0.04 0.00 0.00 63.50 63.40 1jy7 n PRO 77 Cb 1.05 -1.93 -0.10 0.00 -0.04 0.00 0.00 33.50 32.47 1jy7 n PRO 77 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jy7 n ASN 78 N -2.05 1.95 0.27 3.54 4.13 -1.26 -3.46 115.26 118.39 1jy7 n ASN 78 Ca -0.01 0.30 0.15 0.00 1.68 0.00 0.00 54.58 56.69 1jy7 n ASN 78 Cb 0.13 -0.79 0.76 0.00 -1.54 0.00 0.00 39.78 38.33 1jy7 n ASN 78 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jy7 h ALA 79 N -0.82 1.17 0.00 5.41 0.00 -1.44 -3.16 119.26 120.43 1jy7 h ALA 79 Ca -0.65 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1jy7 h ALA 79 Cb 1.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1jy7 h ALA 79 CO -0.36 0.12 -0.69 1.28 0.00 0.00 0.00 179.25 179.59 1jy7 n LEU 80 N -3.45 0.39 0.18 0.00 4.77 0.04 -4.68 117.00 114.25 1jy7 n LEU 80 Ca -0.01 -0.40 0.03 0.00 -0.03 0.00 0.00 56.01 55.60 1jy7 n LEU 80 Cb 0.24 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.52 1jy7 n LEU 80 CO 0.28 0.10 0.80 0.77 -1.33 0.00 0.00 177.39 178.02 1jy7 h SER 81 N 0.00 0.00 0.27 -1.43 4.64 -1.57 0.27 113.55 115.73 1jy7 h SER 81 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1jy7 h SER 81 Cb 0.30 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.42 1jy7 h SER 81 CO 0.00 0.00 -1.47 0.00 -0.87 0.00 0.00 176.83 174.49 1jy7 h ALA 82 N 0.55 -0.16 -0.00 5.18 0.00 -1.83 -3.29 119.26 119.72 1jy7 h ALA 82 Ca 0.00 -0.86 -0.16 0.00 0.00 0.00 0.00 54.91 53.89 1jy7 h ALA 82 Cb 1.12 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1jy7 h ALA 82 CO 0.00 0.70 -0.75 -0.07 0.00 0.00 0.00 179.25 179.13 1jy7 h LEU 83 N 0.15 0.04 0.20 0.00 3.38 -0.82 -3.17 115.31 115.08 1jy7 h LEU 83 Ca -0.25 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.69 1jy7 h LEU 83 Cb 2.16 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.87 1jy7 h LEU 83 CO 0.28 0.78 -0.27 0.28 0.09 0.00 0.00 178.44 179.59 1jy7 h SER 84 N 0.02 -0.76 -0.76 -0.43 0.02 -1.55 0.23 113.55 110.32 1jy7 h SER 84 Ca -0.01 0.08 0.10 0.00 -0.84 0.00 0.00 61.79 61.12 1jy7 h SER 84 Cb 1.33 0.27 -0.07 0.00 0.14 0.00 0.00 62.40 64.07 1jy7 h SER 84 CO 0.10 -0.38 0.40 0.44 -1.14 0.00 0.00 176.83 176.25 1jy7 h ASP 85 N -0.53 0.54 0.58 3.07 3.32 -1.62 0.58 116.42 122.36 1jy7 h ASP 85 Ca 0.01 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1jy7 h ASP 85 Cb 0.52 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.04 1jy7 h ASP 85 CO -0.11 0.30 -0.28 0.25 -1.72 0.00 0.00 179.24 177.68 1jy7 h LEU 86 N 0.67 -0.66 -0.54 1.55 5.85 -1.36 0.33 115.31 121.14 1jy7 h LEU 86 Ca 0.38 -0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.92 1jy7 h LEU 86 Cb 0.39 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1jy7 h LEU 86 CO -0.27 -0.33 -0.31 0.45 -0.34 0.00 0.00 178.44 177.64 1jy7 h HIS 87 N -1.00 1.00 0.00 1.25 3.86 -0.40 0.21 115.15 120.06 1jy7 h HIS 87 Ca -0.08 -0.26 -0.01 0.00 -1.16 0.00 0.00 60.37 58.85 1jy7 h HIS 87 Cb 0.66 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 1jy7 h HIS 87 CO -0.00 1.05 -0.34 0.00 0.86 0.00 0.00 177.93 179.50 1jy7 h ALA 88 N 0.93 0.02 0.13 2.45 0.00 0.09 -1.71 119.26 121.16 1jy7 h ALA 88 Ca 0.08 -0.35 -0.31 0.00 0.00 0.00 0.00 54.91 54.33 1jy7 h ALA 88 Cb 0.86 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1jy7 h ALA 88 CO 0.08 0.30 -1.51 1.25 0.00 0.00 0.00 179.25 179.37 1jy7 h HIS 89 N -1.00 0.49 0.00 0.00 -0.00 -1.17 -2.85 115.15 110.62 1jy7 h HIS 89 Ca -0.02 -0.36 -0.10 0.00 -0.00 0.00 0.00 60.37 59.88 1jy7 h HIS 89 Cb 0.38 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.76 1jy7 h HIS 89 CO -0.09 1.39 -0.61 -0.22 -0.00 0.00 0.00 177.93 178.40 1jy7 h LYS 90 N 0.07 0.00 0.01 5.26 3.64 -0.89 -3.40 116.57 121.25 1jy7 h LYS 90 Ca -0.24 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 58.87 1jy7 h LYS 90 Cb 2.02 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.80 1jy7 h LYS 90 CO 0.17 0.82 -1.51 -0.07 -2.27 0.00 0.00 179.45 176.60 1jy7 h LEU 91 N -1.00 0.03 -2.78 5.20 3.38 -0.74 -3.50 115.31 115.90 1jy7 h LEU 91 Ca -0.16 -0.04 -0.24 0.00 0.09 0.00 0.00 57.88 57.53 1jy7 h LEU 91 Cb 1.00 -0.01 0.08 0.00 0.09 0.00 0.00 40.66 41.82 1jy7 h LEU 91 CO -0.09 1.04 -0.61 0.54 0.09 0.00 0.00 178.44 179.40 1jy7 n ARG 92 N -3.16 -1.57 -2.94 1.13 1.74 -0.70 -4.96 116.66 106.21 1jy7 n ARG 92 Ca -0.12 0.96 -0.40 0.00 -0.77 0.00 0.00 57.85 57.52 1jy7 n ARG 92 Cb 1.02 -4.94 -0.05 0.00 -1.02 0.00 0.00 32.46 27.47 1jy7 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1jy7 s VAL 93 N -3.23 4.72 -0.01 1.55 1.01 -0.88 -5.00 120.40 118.56 1jy7 s VAL 93 Ca 0.25 1.70 -0.30 0.00 0.00 0.00 0.00 61.98 63.64 1jy7 s VAL 93 Cb -0.06 -4.15 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 1jy7 s VAL 93 CO 0.79 0.34 1.83 -0.62 0.00 0.00 0.00 175.10 177.44 1jy7 s ASP 94 N 0.05 6.53 0.39 3.32 -1.08 -1.26 -4.86 116.67 119.76 1jy7 s ASP 94 Ca 0.40 2.45 0.23 0.00 -0.52 0.00 0.00 52.55 55.12 1jy7 s ASP 94 Cb -0.21 -2.53 1.32 0.00 -1.46 0.00 0.00 42.92 40.04 1jy7 s ASP 94 CO 0.24 -1.01 1.62 -0.65 0.52 0.00 0.00 175.17 175.89 1jy7 h PRO 95 N 10.18 0.12 -0.60 4.34 0.11 -2.00 -0.33 132.00 143.83 1jy7 h PRO 95 Ca -0.45 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.77 1jy7 h PRO 95 Cb 1.21 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1jy7 h PRO 95 CO 0.95 0.08 0.40 -0.24 -0.21 0.00 0.00 178.00 178.98 1jy7 h VAL 96 N 0.12 0.87 -0.91 3.15 3.04 -2.02 -2.21 116.25 118.29 1jy7 h VAL 96 Ca 0.81 -0.12 -0.00 0.00 -1.01 0.00 0.00 66.70 66.37 1jy7 h VAL 96 Cb 2.25 0.48 -0.04 0.00 -2.01 0.00 0.00 31.29 31.96 1jy7 h VAL 96 CO -0.57 0.06 0.55 0.78 -1.01 0.00 0.00 177.57 177.39 1jy7 h ASN 97 N 0.36 1.09 -0.47 3.17 -0.26 -1.43 -1.21 115.58 116.83 1jy7 h ASN 97 Ca 0.28 -0.06 0.10 0.00 -0.56 0.00 0.00 56.30 56.06 1jy7 h ASN 97 Cb 0.62 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.58 1jy7 h ASN 97 CO -0.07 0.84 0.33 -0.26 -1.06 0.00 0.00 177.43 177.20 1jy7 h PHE 98 N 1.25 0.20 -0.33 1.19 0.04 -1.55 0.83 116.94 118.56 1jy7 h PHE 98 Ca 0.33 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 61.00 1jy7 h PHE 98 Cb -0.06 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 1jy7 h PHE 98 CO 0.01 0.09 -0.22 0.87 -0.60 0.00 0.00 178.31 178.46 1jy7 h LYS 99 N 0.18 0.64 0.00 1.51 1.57 -1.31 -2.73 116.57 116.43 1jy7 h LYS 99 Ca 0.22 -0.24 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1jy7 h LYS 99 Cb 0.63 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1jy7 h LYS 99 CO -0.04 0.81 -0.64 -0.07 -0.57 0.00 0.00 179.45 178.94 1jy7 h LEU 100 N 0.56 0.00 -0.12 2.94 3.38 -0.77 -2.93 115.31 118.38 1jy7 h LEU 100 Ca 0.08 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 1jy7 h LEU 100 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1jy7 h LEU 100 CO 0.05 0.64 -0.63 0.25 0.09 0.00 0.00 178.44 178.84 1jy7 h LEU 101 N 0.00 0.00 -0.26 1.67 5.85 -1.22 -3.12 115.31 118.23 1jy7 h LEU 101 Ca -0.01 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 1jy7 h LEU 101 Cb 1.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1jy7 h LEU 101 CO 0.08 0.63 -0.78 0.28 -0.34 0.00 0.00 178.44 178.31 1jy7 h SER 102 N 0.00 0.71 -0.07 1.25 0.02 -1.42 -2.18 113.55 111.87 1jy7 h SER 102 Ca -0.01 -0.48 -0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1jy7 h SER 102 Cb 1.44 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 1jy7 h SER 102 CO 0.08 1.25 0.03 -0.74 -1.14 0.00 0.00 176.83 176.31 1jy7 h HIS 103 N 0.40 0.10 0.00 3.45 -0.00 -1.55 -2.13 115.15 115.41 1jy7 h HIS 103 Ca -0.05 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.28 1jy7 h HIS 103 Cb 1.39 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.76 1jy7 h HIS 103 CO 0.07 0.20 -0.19 0.00 -0.00 0.00 0.00 177.93 178.01 1jy7 h LEU 105 N 0.00 0.07 0.15 0.00 5.85 -1.07 -2.85 115.31 117.46 1jy7 h LEU 105 Ca -0.00 -0.05 -0.29 0.00 0.84 0.00 0.00 57.88 58.38 1jy7 h LEU 105 Cb 0.51 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.53 1jy7 h LEU 105 CO 0.02 0.72 -1.31 -0.07 -0.34 0.00 0.00 178.44 177.46 1jy7 h LEU 106 N 0.04 0.49 -1.43 2.25 3.38 -0.69 -3.10 115.31 116.25 1jy7 h LEU 106 Ca -0.01 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 1jy7 h LEU 106 Cb 1.19 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1jy7 h LEU 106 CO 0.09 1.42 0.11 0.58 0.09 0.00 0.00 178.44 180.73 1jy7 h VAL 107 N 0.08 1.15 -0.02 1.22 2.07 -1.11 -2.72 116.25 116.92 1jy7 h VAL 107 Ca -0.16 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 1jy7 h VAL 107 Cb 2.01 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1jy7 h VAL 107 CO 0.21 0.18 -0.29 0.74 0.02 0.00 0.00 177.57 178.43 1jy7 h THR 108 N 0.49 1.49 0.00 2.57 2.02 -1.57 -3.24 112.91 114.67 1jy7 h THR 108 Ca 0.12 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.44 1jy7 h THR 108 Cb 0.14 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1jy7 h THR 108 CO -0.01 0.52 0.00 -0.07 0.37 0.00 0.00 175.52 176.33 1jy7 h LEU 109 N -0.36 0.00 -2.61 2.58 4.07 -1.45 -1.60 115.31 115.94 1jy7 h LEU 109 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1jy7 h LEU 109 Cb 1.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.74 1jy7 h LEU 109 CO 0.06 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.42 1jy7 n ALA 110 N -1.91 2.36 0.15 1.53 0.00 -1.04 -2.39 120.51 119.21 1jy7 n ALA 110 Ca -0.01 -1.17 0.03 0.00 0.00 0.00 0.00 53.44 52.29 1jy7 n ALA 110 Cb 0.10 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 1jy7 n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jy7 n ALA 111 N 1.38 2.53 -0.00 0.00 0.00 -0.63 -4.45 120.51 119.34 1jy7 n ALA 111 Ca 0.20 -0.16 0.01 0.00 0.00 0.00 0.00 53.44 53.49 1jy7 n ALA 111 Cb 0.57 -0.22 -0.02 0.00 0.00 0.00 0.00 19.45 19.78 1jy7 n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jy7 n HIS 112 N -1.42 0.00 -3.06 0.00 -0.00 -1.07 -4.79 115.22 104.89 1jy7 n HIS 112 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.50 1jy7 n HIS 112 Cb 0.13 -0.07 -0.03 0.00 -0.00 0.00 0.00 29.99 30.01 1jy7 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1jy7 n LEU 113 N -1.64 2.47 0.12 2.41 4.77 -1.00 -4.88 117.00 119.25 1jy7 n LEU 113 Ca -0.01 -5.27 0.11 0.00 -0.03 0.00 0.00 56.01 50.81 1jy7 n LEU 113 Cb 0.11 0.15 0.48 0.00 -2.33 0.00 0.00 43.42 41.83 1jy7 n LEU 113 CO 0.06 2.30 0.83 -0.81 -1.33 0.00 0.00 177.39 178.44 1jy7 n PRO 114 N 0.03 0.16 0.05 3.23 -0.04 -1.26 -1.03 135.00 136.14 1jy7 n PRO 114 Ca 0.27 0.47 -0.07 0.00 -0.04 0.00 0.00 63.50 64.13 1jy7 n PRO 114 Cb 0.55 -1.85 -0.12 0.00 -0.04 0.00 0.00 33.50 32.04 1jy7 n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jy7 h ALA 115 N 2.21 0.40 0.07 0.55 0.00 -1.94 -3.36 119.26 117.19 1jy7 h ALA 115 Ca 0.00 -0.98 -0.35 0.00 0.00 0.00 0.00 54.91 53.58 1jy7 h ALA 115 Cb 0.25 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1jy7 h ALA 115 CO 0.00 1.29 -1.99 0.39 0.00 0.00 0.00 179.25 178.94 1jy7 n GLU 116 N -3.32 0.71 -1.84 0.00 -0.58 -0.49 -4.79 120.64 110.33 1jy7 n GLU 116 Ca -0.02 0.24 -0.21 0.00 -0.42 0.00 0.00 57.16 56.75 1jy7 n GLU 116 Cb 0.96 -1.70 -0.08 0.00 -0.57 0.00 0.00 31.44 30.05 1jy7 n GLU 116 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1jy7 s PHE 117 N -2.56 1.57 0.29 -0.32 5.36 -0.20 -4.75 117.98 117.36 1jy7 s PHE 117 Ca -0.18 1.31 0.08 0.00 -0.96 0.00 0.00 56.93 57.19 1jy7 s PHE 117 Cb 0.07 -3.71 -0.04 0.00 -0.34 0.00 0.00 43.02 39.01 1jy7 s PHE 117 CO 0.77 -1.20 0.16 0.95 -1.46 0.00 0.00 175.22 174.44 1jy7 s THR 118 N 13.31 3.74 0.29 0.12 -4.23 -1.26 -4.90 115.64 122.71 1jy7 s THR 118 Ca 0.77 -1.57 0.04 0.00 -1.18 0.00 0.00 61.69 59.74 1jy7 s THR 118 Cb -0.05 -3.14 0.28 0.00 1.34 0.00 0.00 72.50 70.93 1jy7 s THR 118 CO 0.11 -0.28 1.77 -0.65 -0.54 0.00 0.00 174.62 175.03 1jy7 h PRO 119 N 1.54 0.69 -0.58 3.99 0.11 -1.98 0.53 132.00 136.30 1jy7 h PRO 119 Ca -0.46 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 1jy7 h PRO 119 Cb 1.25 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1jy7 h PRO 119 CO 0.61 0.45 0.00 0.00 -0.21 0.00 0.00 178.00 178.85 1jy7 h ALA 120 N 1.63 0.90 0.05 -0.75 0.00 -1.95 -0.83 119.26 118.30 1jy7 h ALA 120 Ca 0.55 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jy7 h ALA 120 Cb 0.84 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1jy7 h ALA 120 CO -0.39 0.65 -0.03 0.28 0.00 0.00 0.00 179.25 179.77 1jy7 h VAL 121 N 0.93 1.18 -0.88 0.00 2.07 -1.54 -3.04 116.25 114.96 1jy7 h VAL 121 Ca 0.17 -1.61 0.24 0.00 0.82 0.00 0.00 66.70 66.32 1jy7 h VAL 121 Cb 0.54 2.11 -0.14 0.00 -1.52 0.00 0.00 31.29 32.27 1jy7 h VAL 121 CO 0.03 0.36 0.23 -0.74 0.02 0.00 0.00 177.57 177.46 1jy7 h HIS 122 N -0.89 0.34 0.00 1.57 6.17 0.00 0.37 115.15 122.71 1jy7 h HIS 122 Ca -0.01 0.05 -0.07 0.00 0.71 0.00 0.00 60.37 61.05 1jy7 h HIS 122 Cb 0.64 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.55 1jy7 h HIS 122 CO 0.15 -0.22 -0.33 0.00 0.71 0.00 0.00 177.93 178.24 1jy7 h ALA 123 N 1.79 1.42 0.15 5.26 0.00 -1.19 -3.10 119.26 123.60 1jy7 h ALA 123 Ca 0.55 -0.30 -0.26 0.00 0.00 0.00 0.00 54.91 54.90 1jy7 h ALA 123 Cb 1.12 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.88 1jy7 h ALA 123 CO -0.66 0.42 -1.12 0.77 0.00 0.00 0.00 179.25 178.65 1jy7 h SER 124 N 0.00 0.72 0.38 0.00 0.02 -0.17 -3.13 113.55 111.37 1jy7 h SER 124 Ca -0.00 -0.88 -0.05 0.00 -0.84 0.00 0.00 61.79 60.02 1jy7 h SER 124 Cb 0.60 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1jy7 h SER 124 CO 0.04 1.54 -0.22 -0.07 -1.14 0.00 0.00 176.83 176.98 1jy7 h LEU 125 N 0.02 0.00 -0.04 5.07 4.07 -1.37 -1.17 115.31 121.89 1jy7 h LEU 125 Ca -0.18 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.76 1jy7 h LEU 125 Cb 1.85 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.59 1jy7 h LEU 125 CO 0.21 0.22 -0.04 -0.78 -1.08 0.00 0.00 178.44 176.97 1jy7 h ASP 126 N 0.00 0.11 -0.57 -0.43 1.82 -1.60 -0.30 116.42 115.45 1jy7 h ASP 126 Ca -0.00 -0.48 0.03 0.00 -0.39 0.00 0.00 57.03 56.19 1jy7 h ASP 126 Cb 0.47 -0.03 -0.04 0.00 0.68 0.00 0.00 39.33 40.41 1jy7 h ASP 126 CO 0.03 0.57 0.33 0.11 -1.61 0.00 0.00 179.24 178.67 1jy7 h LYS 127 N -0.35 0.63 0.67 0.28 1.57 -1.45 -0.12 116.57 117.80 1jy7 h LYS 127 Ca 0.01 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1jy7 h LYS 127 Cb 0.54 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1jy7 h LYS 127 CO 0.01 0.42 -0.41 0.35 -0.57 0.00 0.00 179.45 179.25 1jy7 h PHE 128 N 0.65 -1.08 -0.21 -1.35 3.57 -1.15 -2.07 116.94 115.30 1jy7 h PHE 128 Ca 0.24 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.79 1jy7 h PHE 128 Cb 0.06 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1jy7 h PHE 128 CO -0.07 -0.61 0.21 -0.07 -2.23 0.00 0.00 178.31 175.55 1jy7 h LEU 129 N -1.01 0.00 0.42 0.59 3.38 -0.94 -1.05 115.31 116.71 1jy7 h LEU 129 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1jy7 h LEU 129 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1jy7 h LEU 129 CO 0.10 0.00 -0.20 0.00 0.09 0.00 0.00 178.44 178.42 1jy7 h ALA 130 N 1.77 -0.57 0.42 1.53 0.00 -0.63 -2.63 119.26 119.15 1jy7 h ALA 130 Ca 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1jy7 h ALA 130 Cb 0.52 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1jy7 h ALA 130 CO -0.00 -0.75 -0.51 0.77 0.00 0.00 0.00 179.25 178.76 1jy7 h SER 131 N -0.70 -1.43 -1.48 0.00 0.02 -0.52 -2.05 113.55 107.39 1jy7 h SER 131 Ca -0.06 0.12 0.44 0.00 -0.84 0.00 0.00 61.79 61.46 1jy7 h SER 131 Cb 0.50 0.49 -0.09 0.00 0.14 0.00 0.00 62.40 63.44 1jy7 h SER 131 CO 0.09 -0.64 1.02 0.58 -1.14 0.00 0.00 176.83 176.74 1jy7 h VAL 132 N -0.95 0.19 -0.01 2.27 2.07 -1.45 0.39 116.25 118.75 1jy7 h VAL 132 Ca -0.05 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 1jy7 h VAL 132 Cb 0.85 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1jy7 h VAL 132 CO -0.12 0.01 -0.21 0.28 0.02 0.00 0.00 177.57 177.56 1jy7 h SER 133 N 0.06 0.21 -0.41 0.57 0.02 -0.99 -2.70 113.55 110.31 1jy7 h SER 133 Ca 0.78 -0.73 0.08 0.00 -0.84 0.00 0.00 61.79 61.08 1jy7 h SER 133 Cb 2.80 -0.06 -0.08 0.00 0.14 0.00 0.00 62.40 65.20 1jy7 h SER 133 CO -0.18 0.91 -0.11 0.74 -1.14 0.00 0.00 176.83 177.05 1jy7 h THR 134 N -0.48 0.57 -0.64 -2.27 2.02 0.18 -0.50 112.91 111.80 1jy7 h THR 134 Ca -0.02 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.28 1jy7 h THR 134 Cb 0.93 0.57 -0.09 0.00 -1.74 0.00 0.00 68.15 67.83 1jy7 h THR 134 CO 0.04 0.00 0.16 0.58 0.37 0.00 0.00 175.52 176.67 1jy7 h VAL 135 N -0.01 0.63 0.00 3.16 2.07 -1.25 0.48 116.25 121.33 1jy7 h VAL 135 Ca 0.20 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1jy7 h VAL 135 Cb 0.31 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1jy7 h VAL 135 CO -0.43 0.05 -0.16 -0.07 0.02 0.00 0.00 177.57 176.98 1jy7 h LEU 136 N 0.29 0.00 -2.64 2.57 3.38 -0.79 -2.69 115.31 115.43 1jy7 h LEU 136 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1jy7 h LEU 136 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1jy7 h LEU 136 CO -0.41 0.16 0.00 0.35 0.09 0.00 0.00 178.44 178.63 1jy7 n THR 137 N -3.31 0.85 -0.24 0.22 -2.24 -0.49 -4.11 114.28 104.97 1jy7 n THR 137 Ca 0.00 -0.93 0.02 0.00 -2.27 0.00 0.00 64.05 60.88 1jy7 n THR 137 Cb 0.41 0.64 0.07 0.00 -2.10 0.00 0.00 70.33 69.34 1jy7 n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1jy7 n SER 138 N 1.36 -0.30 -1.90 3.42 3.41 0.06 -1.37 113.62 118.30 1jy7 n SER 138 Ca 0.20 1.13 -0.13 0.00 -0.26 0.00 0.00 58.87 59.81 1jy7 n SER 138 Cb 0.57 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 1jy7 n SER 138 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1jy7 n LYS 139 N -5.03 1.71 0.00 4.33 3.00 -1.26 -2.84 118.16 118.07 1jy7 n LYS 139 Ca 0.09 -1.13 0.00 0.00 -0.00 0.00 0.00 58.31 57.28 1jy7 n LYS 139 Cb 0.30 -1.60 0.00 0.00 0.00 0.00 0.00 35.03 33.74 1jy7 n LYS 139 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1jy7 n TYR 140 N 1.20 0.00 0.66 5.64 0.53 -0.47 -4.92 117.16 119.81 1jy7 n TYR 140 Ca 0.27 0.00 0.08 0.00 -1.02 0.00 0.00 57.90 57.23 1jy7 n TYR 140 Cb 0.62 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.99 1jy7 n TYR 140 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38