#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1y s LEU 2 N 0.00 3.91 0.81 1.34 1.43 -1.26 -5.02 118.68 119.89 1r1y s LEU 2 Ca 0.00 1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 54.08 1r1y s LEU 2 Cb 0.00 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.75 1r1y s LEU 2 CO 0.00 -0.96 1.10 -0.94 0.23 0.00 0.00 176.35 175.78 1r1y s SER 3 N 2.08 4.40 0.28 2.29 1.04 -1.26 -4.77 113.70 117.76 1r1y s SER 3 Ca 0.49 1.27 -0.02 0.00 0.48 0.00 0.00 55.95 58.18 1r1y s SER 3 Cb -0.14 -1.99 0.42 0.00 0.10 0.00 0.00 66.02 64.41 1r1y s SER 3 CO 0.19 -2.03 1.91 -0.65 0.98 0.00 0.00 173.24 173.64 1r1y h PRO 4 N -1.13 1.13 -0.43 4.02 0.11 -1.99 0.87 132.00 134.59 1r1y h PRO 4 Ca -0.47 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 1r1y h PRO 4 Cb 1.27 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1r1y h PRO 4 CO 0.59 0.75 -0.04 0.00 -0.21 0.00 0.00 178.00 179.09 1r1y h ALA 5 N 1.46 0.58 -0.06 -0.75 0.00 -1.99 -0.64 119.26 117.86 1r1y h ALA 5 Ca 0.39 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1r1y h ALA 5 Cb 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1r1y h ALA 5 CO -0.14 0.40 0.03 -0.44 0.00 0.00 0.00 179.25 179.11 1r1y h ASP 6 N 0.61 0.07 -0.83 0.00 3.32 -1.70 -0.16 116.42 117.73 1r1y h ASP 6 Ca 0.12 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.13 1r1y h ASP 6 Cb 0.54 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 1r1y h ASP 6 CO 0.03 0.13 0.54 0.11 -1.72 0.00 0.00 179.24 178.33 1r1y h LYS 7 N 0.00 0.98 -0.27 3.56 1.57 -0.74 0.21 116.57 121.89 1r1y h LYS 7 Ca 0.02 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1r1y h LYS 7 Cb 0.07 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1r1y h LYS 7 CO -0.00 0.65 0.05 1.15 -0.57 0.00 0.00 179.45 180.72 1r1y h THR 8 N 1.01 1.23 -0.58 -0.16 2.02 -0.72 -1.63 112.91 114.07 1r1y h THR 8 Ca 0.33 -0.77 0.02 0.00 0.77 0.00 0.00 66.41 66.76 1r1y h THR 8 Cb 0.06 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1r1y h THR 8 CO -0.10 0.25 0.36 0.78 0.37 0.00 0.00 175.52 177.18 1r1y h ASN 9 N 0.26 0.61 -0.14 4.18 2.35 -0.47 -1.83 115.58 120.53 1r1y h ASN 9 Ca 0.08 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1r1y h ASN 9 Cb 0.33 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1r1y h ASN 9 CO 0.00 0.43 0.07 0.58 -1.65 0.00 0.00 177.43 176.86 1r1y h VAL 10 N 0.73 1.12 -0.79 2.81 2.07 -0.81 0.09 116.25 121.47 1r1y h VAL 10 Ca 0.23 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1r1y h VAL 10 Cb -0.02 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1r1y h VAL 10 CO -0.08 0.11 0.51 0.11 0.02 0.00 0.00 177.57 178.24 1r1y h LYS 11 N 0.10 1.05 -0.29 1.57 1.57 -1.18 0.15 116.57 119.54 1r1y h LYS 11 Ca 0.05 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1r1y h LYS 11 Cb 0.11 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1r1y h LYS 11 CO -0.01 0.71 -0.03 0.00 -0.57 0.00 0.00 179.45 179.55 1r1y h ALA 12 N 1.28 0.40 -0.09 3.86 0.00 -1.19 0.34 119.26 123.86 1r1y h ALA 12 Ca 0.29 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1r1y h ALA 12 Cb -0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1r1y h ALA 12 CO -0.06 0.18 -0.00 0.00 0.00 0.00 0.00 179.25 179.37 1r1y h ALA 13 N 0.81 0.13 0.00 0.00 0.00 -0.62 -1.62 119.26 117.96 1r1y h ALA 13 Ca 0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1r1y h ALA 13 Cb 0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1r1y h ALA 13 CO 0.02 -0.19 -0.26 2.35 0.00 0.00 0.00 179.25 181.17 1r1y h TRP 14 N -0.11 0.00 -0.53 0.00 2.91 -0.71 -2.18 115.95 115.34 1r1y h TRP 14 Ca 0.03 0.00 -0.10 0.00 1.13 0.00 0.00 58.89 59.94 1r1y h TRP 14 Cb 0.35 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.98 1r1y h TRP 14 CO 0.03 0.26 -0.07 0.78 -1.03 0.00 0.00 178.44 178.41 1r1y h GLY 15 N 1.46 1.06 2.00 2.65 0.00 0.04 -2.10 103.07 108.18 1r1y h GLY 15 Ca -0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 47.33 46.42 1r1y h GLY 15 CO 0.03 0.77 -0.34 1.70 0.00 0.00 0.00 176.54 178.70 1r1y h LYS 16 N 0.85 0.00 -0.07 4.80 3.11 -0.79 -2.42 116.57 122.05 1r1y h LYS 16 Ca 0.14 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.98 1r1y h LYS 16 Cb 0.63 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.86 1r1y h LYS 16 CO 0.04 0.34 0.04 0.28 -2.81 0.00 0.00 179.45 177.34 1r1y h VAL 17 N 0.00 1.03 0.00 2.00 2.07 -0.80 -3.46 116.25 117.09 1r1y h VAL 17 Ca -0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1r1y h VAL 17 Cb 0.63 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1r1y h VAL 17 CO 0.04 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.27 1r1y n GLY 18 N -1.08 3.28 0.00 2.17 0.00 -0.87 -1.91 105.19 106.78 1r1y n GLY 18 Ca -0.06 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 45.95 1r1y n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r1y n ALA 19 N 10.42 1.56 1.27 4.61 0.00 -1.26 -2.67 120.51 134.43 1r1y n ALA 19 Ca 0.00 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.54 1r1y n ALA 19 Cb 0.00 -1.20 0.54 0.00 0.00 0.00 0.00 19.45 18.79 1r1y n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1r1y n HIS 20 N -1.50 0.00 -0.25 0.00 -0.00 -0.80 -4.37 115.22 108.30 1r1y n HIS 20 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.72 1r1y n HIS 20 Cb 0.14 -0.24 0.04 0.00 -0.00 0.00 0.00 29.99 29.93 1r1y n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1r1y h ALA 21 N 3.42 0.14 -0.73 -1.41 0.00 -1.65 0.50 119.26 119.53 1r1y h ALA 21 Ca 0.00 0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1r1y h ALA 21 Cb 0.41 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1r1y h ALA 21 CO 0.00 -0.60 0.43 0.78 0.00 0.00 0.00 179.25 179.87 1r1y h GLY 22 N -0.09 1.07 1.05 0.00 0.00 -1.85 0.63 103.07 103.88 1r1y h GLY 22 Ca 0.29 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 1r1y h GLY 22 CO -0.77 0.22 0.14 -2.09 0.00 0.00 0.00 176.54 174.04 1r1y h GLU 23 N 0.81 1.08 -0.22 4.80 4.81 -1.52 -1.74 114.58 122.59 1r1y h GLU 23 Ca 0.32 -0.27 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 1r1y h GLU 23 Cb 0.14 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1r1y h GLU 23 CO -0.16 0.97 -0.44 1.88 -0.73 0.00 0.00 179.01 180.53 1r1y h TYR 24 N 1.00 0.66 -0.10 0.92 0.99 -0.12 -1.78 116.97 118.55 1r1y h TYR 24 Ca 0.21 -0.20 0.01 0.00 2.00 0.00 0.00 58.73 60.75 1r1y h TYR 24 Cb 0.39 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 37.97 1r1y h TYR 24 CO 0.03 0.89 0.01 0.78 -0.00 0.00 0.00 178.16 179.87 1r1y h GLY 25 N 1.06 0.10 1.33 3.88 0.00 0.58 0.13 103.07 110.15 1r1y h GLY 25 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 1r1y h GLY 25 CO 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 176.54 176.59 1r1y h ALA 26 N 1.08 1.05 -0.43 3.60 0.00 -1.17 -1.89 119.26 121.50 1r1y h ALA 26 Ca 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1r1y h ALA 26 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1r1y h ALA 26 CO -0.07 0.59 0.17 1.49 0.00 0.00 0.00 179.25 181.43 1r1y h GLU 27 N 0.75 0.65 -0.74 0.00 4.81 -0.93 -0.13 114.58 118.99 1r1y h GLU 27 Ca 0.14 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1r1y h GLU 27 Cb 0.50 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 1r1y h GLU 27 CO 0.03 0.60 0.45 0.00 -0.73 0.00 0.00 179.01 179.36 1r1y h ALA 28 N 1.01 0.98 -0.37 2.92 0.00 -0.39 0.23 119.26 123.65 1r1y h ALA 28 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1r1y h ALA 28 Cb 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1r1y h ALA 28 CO -0.01 0.21 0.19 -0.07 0.00 0.00 0.00 179.25 179.56 1r1y h LEU 29 N 0.86 0.48 -0.41 0.00 3.38 -0.99 -0.29 115.31 118.34 1r1y h LEU 29 Ca 0.31 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.18 1r1y h LEU 29 Cb 0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1r1y h LEU 29 CO -0.14 0.46 0.23 -0.08 0.09 0.00 0.00 178.44 179.00 1r1y h GLU 30 N 0.46 0.46 -0.74 1.13 4.81 -0.24 0.27 114.58 120.73 1r1y h GLU 30 Ca 0.13 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 1r1y h GLU 30 Cb 0.10 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 1r1y h GLU 30 CO -0.02 0.30 0.43 0.00 -0.73 0.00 0.00 179.01 179.00 1r1y h ARG 31 N 0.47 0.78 -0.08 1.92 3.08 -0.22 -1.93 114.38 118.40 1r1y h ARG 31 Ca 0.16 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1r1y h ARG 31 Cb 0.02 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 1r1y h ARG 31 CO -0.08 0.52 0.04 1.98 -1.07 0.00 0.00 179.97 181.35 1r1y h MET 32 N 0.80 0.12 -0.51 0.04 4.05 -0.28 -0.85 114.93 118.31 1r1y h MET 32 Ca 0.32 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.70 1r1y h MET 32 Cb 0.16 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 1r1y h MET 32 CO -0.17 0.22 0.22 0.74 0.23 0.00 0.00 176.91 178.15 1r1y h PHE 33 N -0.00 0.71 0.14 1.39 0.04 -0.51 0.83 116.94 119.54 1r1y h PHE 33 Ca 0.03 -0.03 -0.29 0.00 2.80 0.00 0.00 57.97 60.48 1r1y h PHE 33 Cb 0.14 -0.23 0.02 0.00 2.20 0.00 0.00 35.95 38.08 1r1y h PHE 33 CO -0.03 0.54 -1.27 -0.07 -0.60 0.00 0.00 178.31 176.89 1r1y h LEU 34 N 0.72 0.69 0.14 1.54 3.38 -1.30 -3.24 115.31 117.23 1r1y h LEU 34 Ca 0.18 -0.68 -0.29 0.00 0.09 0.00 0.00 57.88 57.17 1r1y h LEU 34 Cb 0.11 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 40.66 1r1y h LEU 34 CO -0.02 1.51 -1.29 0.28 0.09 0.00 0.00 178.44 179.01 1r1y h SER 35 N 0.17 0.65 -2.57 -0.43 0.02 -0.94 -3.39 113.55 107.05 1r1y h SER 35 Ca -0.18 -0.66 -0.60 0.00 -0.84 0.00 0.00 61.79 59.51 1r1y h SER 35 Cb 1.96 -0.21 -0.41 0.00 0.14 0.00 0.00 62.40 63.88 1r1y h SER 35 CO 0.23 1.50 -0.74 0.49 -1.14 0.00 0.00 176.83 177.17 1r1y n PHE 36 N -3.66 1.85 -0.42 3.45 3.01 0.27 -4.99 117.46 116.97 1r1y n PHE 36 Ca -0.12 -3.94 0.35 0.00 1.01 0.00 0.00 57.45 54.75 1r1y n PHE 36 Cb 1.03 -0.36 0.65 0.00 -0.01 0.00 0.00 39.48 40.79 1r1y n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1r1y h PRO 37 N 5.00 0.14 0.00 -1.08 0.11 -1.74 -0.04 132.00 134.38 1r1y h PRO 37 Ca 0.18 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1r1y h PRO 37 Cb 0.79 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 1r1y h PRO 37 CO 0.63 0.09 -0.04 1.79 -0.21 0.00 0.00 178.00 180.26 1r1y h THR 38 N 0.14 0.34 0.00 -1.15 1.35 -1.92 -1.15 112.91 110.52 1r1y h THR 38 Ca 0.73 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 66.37 1r1y h THR 38 Cb 2.38 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.96 1r1y h THR 38 CO -0.27 0.04 0.00 0.71 -0.25 0.00 0.00 175.52 175.75 1r1y h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.33 -2.05 112.91 117.70 1r1y h THR 39 Ca -0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1r1y h THR 39 Cb 0.16 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1r1y h THR 39 CO 0.01 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.57 1r1y n LYS 40 N -2.98 0.19 0.18 4.72 5.02 -0.44 -2.52 118.16 122.34 1r1y n LYS 40 Ca -0.00 0.46 0.13 0.00 -2.02 0.00 0.00 58.31 56.88 1r1y n LYS 40 Cb 0.24 -1.90 0.63 0.00 -0.02 0.00 0.00 35.03 33.98 1r1y n LYS 40 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1r1y h THR 41 N 0.00 0.00 -0.00 -0.18 1.35 -1.54 -1.53 112.91 111.01 1r1y h THR 41 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1r1y h THR 41 Cb 0.32 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1r1y h THR 41 CO 0.00 0.00 -0.40 -1.22 -0.25 0.00 0.00 175.52 173.65 1r1y n TYR 42 N -2.44 0.00 -2.55 4.73 4.01 -1.05 -4.40 117.16 115.47 1r1y n TYR 42 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.58 1r1y n TYR 42 Cb 0.16 -0.17 0.02 0.00 -0.31 0.00 0.00 39.34 39.03 1r1y n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1r1y n PHE 43 N -1.05 2.18 0.30 -0.72 3.01 -0.58 -4.86 117.46 115.75 1r1y n PHE 43 Ca 0.09 -2.79 0.18 0.00 1.01 0.00 0.00 57.45 55.93 1r1y n PHE 43 Cb 0.34 -0.25 0.78 0.00 -0.01 0.00 0.00 39.48 40.35 1r1y n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1r1y h PRO 44 N 2.72 0.00 -0.05 -1.08 0.13 -1.77 -1.83 132.00 130.13 1r1y h PRO 44 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1r1y h PRO 44 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1r1y h PRO 44 CO 0.62 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.00 1r1y n HIS 45 N -2.94 0.05 -4.00 1.56 1.44 -1.26 -4.89 115.22 105.18 1r1y n HIS 45 Ca -0.00 -0.03 -0.28 0.00 -2.01 0.00 0.00 57.72 55.40 1r1y n HIS 45 Cb 0.23 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.29 1r1y n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1r1y s PHE 46 N -1.95 3.32 -0.30 -1.40 2.99 -0.69 -5.07 117.98 114.88 1r1y s PHE 46 Ca 0.37 0.10 -0.19 0.00 0.00 0.00 0.00 56.93 57.22 1r1y s PHE 46 Cb 0.19 -1.63 -0.02 0.00 0.00 0.00 0.00 43.02 41.56 1r1y s PHE 46 CO 0.31 0.54 0.55 0.34 -0.00 0.00 0.00 175.22 176.95 1r1y s ASP 47 N -2.80 6.42 -0.05 1.36 -1.08 -1.26 -4.93 116.67 114.33 1r1y s ASP 47 Ca 0.32 0.34 0.21 0.00 -0.52 0.00 0.00 52.55 52.89 1r1y s ASP 47 Cb -0.12 -2.29 0.68 0.00 -1.46 0.00 0.00 42.92 39.74 1r1y s ASP 47 CO 0.25 -0.40 1.59 0.18 0.52 0.00 0.00 175.17 177.31 1r1y n LEU 48 N 5.71 4.36 -4.69 -1.34 4.77 -1.26 -4.45 117.00 120.10 1r1y n LEU 48 Ca -0.03 -2.22 -0.32 0.00 -0.03 0.00 0.00 56.01 53.41 1r1y n LEU 48 Cb 0.49 -0.53 0.15 0.00 -2.33 0.00 0.00 43.42 41.19 1r1y n LEU 48 CO 0.43 0.91 0.73 -0.44 -1.33 0.00 0.00 177.39 177.69 1r1y s SER 49 N -0.96 3.26 0.40 -1.43 0.01 -1.26 -4.89 113.70 108.83 1r1y s SER 49 Ca 0.50 2.28 -0.27 0.00 1.31 0.00 0.00 55.95 59.77 1r1y s SER 49 Cb 0.29 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.84 1r1y s SER 49 CO 0.29 -2.88 1.48 -2.28 0.41 0.00 0.00 173.24 170.26 1r1y s HIS 50 N -2.40 2.53 0.00 2.43 2.46 -1.26 -1.65 115.29 117.39 1r1y s HIS 50 Ca 0.70 1.18 0.00 0.00 0.47 0.00 0.00 55.06 57.41 1r1y s HIS 50 Cb -0.26 -4.01 0.00 0.00 -0.13 0.00 0.00 32.58 28.18 1r1y s HIS 50 CO 0.54 -3.03 0.00 0.41 -2.47 0.00 0.00 174.74 170.19 1r1y n GLY 51 N 0.48 2.69 3.56 1.59 0.00 -1.26 -4.98 105.19 107.28 1r1y n GLY 51 Ca 0.02 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.49 1r1y n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r1y n SER 52 N 0.00 1.02 0.19 1.61 2.88 -0.66 -4.82 113.62 113.83 1r1y n SER 52 Ca 0.00 1.14 0.04 0.00 -1.33 0.00 0.00 58.87 58.71 1r1y n SER 52 Cb 0.00 -1.07 0.44 0.00 -0.75 0.00 0.00 64.21 62.82 1r1y n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r1y h ALA 53 N 4.07 1.57 -0.48 -1.46 0.00 -1.90 -0.52 119.26 120.55 1r1y h ALA 53 Ca -0.49 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.13 1r1y h ALA 53 Cb 1.37 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1r1y h ALA 53 CO 0.74 0.32 0.01 1.96 0.00 0.00 0.00 179.25 182.28 1r1y h GLN 54 N 0.06 0.84 -0.24 0.00 4.20 -1.89 0.57 115.11 118.65 1r1y h GLN 54 Ca 0.01 -0.26 -0.16 0.00 0.06 0.00 0.00 58.65 58.30 1r1y h GLN 54 Cb 0.42 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1r1y h GLN 54 CO 0.03 0.88 -0.49 0.28 -0.67 0.00 0.00 178.83 178.85 1r1y h VAL 55 N 0.69 1.30 -0.44 -0.54 2.07 -1.63 -1.06 116.25 116.64 1r1y h VAL 55 Ca 0.14 -1.70 -0.03 0.00 0.82 0.00 0.00 66.70 65.93 1r1y h VAL 55 Cb 0.49 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1r1y h VAL 55 CO 0.02 0.54 0.17 0.11 0.02 0.00 0.00 177.57 178.44 1r1y h LYS 56 N 0.52 0.65 -0.42 1.57 1.57 -0.87 0.25 116.57 119.85 1r1y h LYS 56 Ca 0.02 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1r1y h LYS 56 Cb 1.05 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1r1y h LYS 56 CO 0.10 0.60 0.13 0.78 -0.57 0.00 0.00 179.45 180.49 1r1y h GLY 57 N 0.56 0.70 1.24 3.86 0.00 -0.76 -1.33 103.07 107.35 1r1y h GLY 57 Ca 0.15 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 1r1y h GLY 57 CO -0.01 0.39 -0.11 0.84 0.00 0.00 0.00 176.54 177.65 1r1y h HIS 58 N 0.54 0.99 -0.83 5.60 -0.00 -1.02 -2.55 115.15 117.88 1r1y h HIS 58 Ca 0.14 -0.19 0.02 0.00 -0.00 0.00 0.00 60.37 60.33 1r1y h HIS 58 Cb 0.26 -0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 27.38 1r1y h HIS 58 CO 0.01 0.94 0.55 0.78 -0.00 0.00 0.00 177.93 180.21 1r1y h GLY 59 N 0.97 1.17 1.01 5.26 0.00 -0.11 -1.15 103.07 110.22 1r1y h GLY 59 Ca 0.13 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1r1y h GLY 59 CO 0.04 0.39 0.36 1.70 0.00 0.00 0.00 176.54 179.03 1r1y h LYS 60 N 1.08 0.99 -0.32 4.80 3.11 -0.91 -0.91 116.57 124.41 1r1y h LYS 60 Ca 0.32 -0.13 -0.18 0.00 -2.81 0.00 0.00 60.65 57.85 1r1y h LYS 60 Cb -0.06 -0.18 -0.00 0.00 -1.00 0.00 0.00 32.23 30.98 1r1y h LYS 60 CO -0.08 0.76 -0.48 0.87 -2.81 0.00 0.00 179.45 177.71 1r1y h LYS 61 N 0.96 0.89 -0.43 1.90 1.57 -0.91 -0.80 116.57 119.75 1r1y h LYS 61 Ca 0.24 -0.53 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1r1y h LYS 61 Cb 0.08 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1r1y h LYS 61 CO -0.03 1.17 0.22 0.28 -0.57 0.00 0.00 179.45 180.52 1r1y h VAL 62 N 0.70 1.17 -0.31 0.50 2.07 -1.05 -1.03 116.25 118.29 1r1y h VAL 62 Ca 0.03 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1r1y h VAL 62 Cb 1.09 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1r1y h VAL 62 CO 0.11 0.18 0.11 0.00 0.02 0.00 0.00 177.57 177.99 1r1y h ALA 63 N 1.07 0.41 -0.67 1.67 0.00 -1.11 -2.21 119.26 118.43 1r1y h ALA 63 Ca 0.15 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1r1y h ALA 63 Cb 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1r1y h ALA 63 CO -0.02 0.03 0.44 -0.44 0.00 0.00 0.00 179.25 179.26 1r1y h ASP 64 N 0.35 0.73 -0.29 0.00 3.32 -0.92 0.67 116.42 120.27 1r1y h ASP 64 Ca 0.10 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 1r1y h ASP 64 Cb 0.22 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1r1y h ASP 64 CO -0.01 0.51 -0.22 0.00 -1.72 0.00 0.00 179.24 177.81 1r1y h ALA 65 N 1.60 0.89 -0.23 3.45 0.00 -0.82 -0.50 119.26 123.64 1r1y h ALA 65 Ca 0.26 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 1r1y h ALA 65 Cb -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1r1y h ALA 65 CO -0.06 0.63 -0.60 -0.07 0.00 0.00 0.00 179.25 179.14 1r1y h LEU 66 N 0.67 0.88 -0.43 0.00 3.38 -0.77 0.18 115.31 119.23 1r1y h LEU 66 Ca 0.10 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.58 1r1y h LEU 66 Cb 0.72 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1r1y h LEU 66 CO 0.06 1.27 0.27 0.74 0.09 0.00 0.00 178.44 180.87 1r1y h THR 67 N 0.58 1.09 -0.62 0.22 2.02 -0.64 0.36 112.91 115.91 1r1y h THR 67 Ca -0.00 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1r1y h THR 67 Cb 1.20 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1r1y h THR 67 CO 0.13 0.10 0.25 -1.13 0.37 0.00 0.00 175.52 175.24 1r1y h ASN 68 N 0.56 0.82 -0.33 4.18 -1.24 -0.93 -0.87 115.58 117.77 1r1y h ASN 68 Ca 0.16 -0.11 -0.04 0.00 0.71 0.00 0.00 56.30 57.03 1r1y h ASN 68 Cb -0.04 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 38.79 1r1y h ASN 68 CO -0.05 0.73 0.05 0.00 -1.29 0.00 0.00 177.43 176.87 1r1y h ALA 69 N 1.39 0.43 -0.79 1.57 0.00 0.34 -2.14 119.26 120.06 1r1y h ALA 69 Ca 0.21 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1r1y h ALA 69 Cb 0.17 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1r1y h ALA 69 CO -0.02 0.14 0.49 0.28 0.00 0.00 0.00 179.25 180.14 1r1y h VAL 70 N 0.37 1.09 0.00 0.00 2.07 0.14 -0.28 116.25 119.64 1r1y h VAL 70 Ca 0.10 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1r1y h VAL 70 Cb 0.36 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1r1y h VAL 70 CO 0.01 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.77 1r1y h ALA 71 N 1.35 1.00 -0.23 1.67 0.00 -0.83 -2.62 119.26 119.60 1r1y h ALA 71 Ca 0.33 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.04 1r1y h ALA 71 Cb 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.64 1r1y h ALA 71 CO -0.13 0.00 -0.73 0.72 0.00 0.00 0.00 179.25 179.11 1r1y n HIS 72 N -2.84 0.83 -0.07 0.00 8.25 -0.45 -4.86 115.22 116.07 1r1y n HIS 72 Ca -0.01 -1.58 0.22 0.00 -0.26 0.00 0.00 57.72 56.09 1r1y n HIS 72 Cb 0.16 -0.25 0.68 0.00 1.12 0.00 0.00 29.99 31.69 1r1y n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1r1y h VAL 73 N 2.73 0.69 0.00 1.59 3.04 -0.70 0.37 116.25 123.96 1r1y h VAL 73 Ca 0.04 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 1r1y h VAL 73 Cb 1.32 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 1r1y h VAL 73 CO 0.23 0.01 -0.21 0.44 -1.01 0.00 0.00 177.57 177.03 1r1y h ASP 74 N 0.06 0.00 -1.24 3.17 3.32 -1.87 -3.34 116.42 116.51 1r1y h ASP 74 Ca 0.32 -0.04 -0.43 0.00 0.02 0.00 0.00 57.03 56.90 1r1y h ASP 74 Cb 1.19 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.34 1r1y h ASP 74 CO -0.02 0.02 -1.08 -0.67 -1.72 0.00 0.00 179.24 175.77 1r1y n ASP 75 N -2.47 2.20 -0.10 6.45 4.64 0.11 -4.97 116.55 122.42 1r1y n ASP 75 Ca 0.04 -2.99 -0.11 0.00 -1.38 0.00 0.00 54.79 50.35 1r1y n ASP 75 Cb 0.47 -0.52 -0.04 0.00 -1.04 0.00 0.00 41.12 39.99 1r1y n ASP 75 CO 0.00 0.00 0.00 -0.03 -0.82 0.00 0.00 177.20 176.35 1r1y h MET 76 N 2.91 0.49 -0.92 -0.67 4.05 -1.11 -3.16 114.93 116.52 1r1y h MET 76 Ca 0.01 -0.15 0.17 0.00 -0.28 0.00 0.00 59.70 59.45 1r1y h MET 76 Cb 1.08 -0.05 -0.10 0.00 -0.80 0.00 0.00 31.60 31.73 1r1y h MET 76 CO 0.59 0.64 0.50 -1.35 0.23 0.00 0.00 176.91 177.52 1r1y h PRO 77 N 0.29 0.63 -0.17 0.39 0.11 -1.93 -1.81 132.00 129.50 1r1y h PRO 77 Ca 0.08 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.05 1r1y h PRO 77 Cb 0.41 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 1r1y h PRO 77 CO 0.01 0.42 -0.28 -0.97 -0.21 0.00 0.00 178.00 176.97 1r1y h ASN 78 N 0.65 0.55 -0.67 -2.05 -1.24 -1.97 -1.62 115.58 109.23 1r1y h ASN 78 Ca 0.52 -0.53 0.10 0.00 0.71 0.00 0.00 56.30 57.11 1r1y h ASN 78 Cb 0.80 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 39.66 1r1y h ASN 78 CO -0.39 0.97 0.44 0.00 -1.29 0.00 0.00 177.43 177.16 1r1y h ALA 79 N 0.59 1.97 -0.73 1.57 0.00 -1.37 -1.00 119.26 120.29 1r1y h ALA 79 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1r1y h ALA 79 Cb 0.86 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1r1y h ALA 79 CO 0.06 -0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.47 1r1y n LEU 80 N -4.48 4.03 -0.13 0.00 4.77 -0.74 -4.63 117.00 115.82 1r1y n LEU 80 Ca 0.11 -2.02 -0.04 0.00 -0.03 0.00 0.00 56.01 54.03 1r1y n LEU 80 Cb 0.38 -0.50 0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1r1y n LEU 80 CO 0.33 0.97 0.92 -1.28 -1.33 0.00 0.00 177.39 177.01 1r1y h SER 81 N 4.29 0.06 -0.64 -1.43 0.87 -0.15 -0.08 113.55 116.47 1r1y h SER 81 Ca 0.00 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.56 1r1y h SER 81 Cb 1.03 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 63.04 1r1y h SER 81 CO 0.02 0.07 0.14 0.00 -0.53 0.00 0.00 176.83 176.53 1r1y h ALA 82 N 1.31 0.85 -0.18 6.23 0.00 -1.82 -1.56 119.26 124.10 1r1y h ALA 82 Ca 0.21 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1r1y h ALA 82 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1r1y h ALA 82 CO -0.25 0.58 -0.23 -0.07 0.00 0.00 0.00 179.25 179.27 1r1y h LEU 83 N 0.96 0.31 -0.40 0.00 3.38 -1.72 -1.12 115.31 116.72 1r1y h LEU 83 Ca 0.20 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1r1y h LEU 83 Cb 0.38 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1r1y h LEU 83 CO 0.01 0.56 0.05 0.28 0.09 0.00 0.00 178.44 179.42 1r1y h SER 84 N 0.29 0.66 -0.06 -0.43 0.02 -0.68 -0.78 113.55 112.57 1r1y h SER 84 Ca 0.05 -0.28 0.02 0.00 -0.84 0.00 0.00 61.79 60.74 1r1y h SER 84 Cb 0.57 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1r1y h SER 84 CO 0.04 0.77 -0.03 0.44 -1.14 0.00 0.00 176.83 176.91 1r1y h ASP 85 N 0.53 -0.10 -0.10 3.07 3.45 -0.90 0.32 116.42 122.68 1r1y h ASP 85 Ca 0.12 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.61 1r1y h ASP 85 Cb 0.40 0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 1r1y h ASP 85 CO 0.01 -0.04 0.07 0.25 -1.57 0.00 0.00 179.24 177.96 1r1y h LEU 86 N -0.02 0.12 -0.66 1.55 5.85 -1.09 0.68 115.31 121.74 1r1y h LEU 86 Ca 0.04 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.59 1r1y h LEU 86 Cb 0.08 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1r1y h LEU 86 CO -0.08 0.11 -0.48 0.45 -0.34 0.00 0.00 178.44 178.10 1r1y h HIS 87 N 0.12 0.58 -0.13 1.25 3.86 -1.09 -1.36 115.15 118.37 1r1y h HIS 87 Ca 0.04 -0.18 -0.19 0.00 -1.16 0.00 0.00 60.37 58.87 1r1y h HIS 87 Cb 0.01 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 1r1y h HIS 87 CO -0.06 0.86 -0.69 0.00 0.86 0.00 0.00 177.93 178.90 1r1y h ALA 88 N 1.11 0.54 -0.00 2.45 0.00 -0.70 0.14 119.26 122.79 1r1y h ALA 88 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1r1y h ALA 88 Cb 0.98 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1r1y h ALA 88 CO 0.09 0.72 -0.26 0.72 0.00 0.00 0.00 179.25 180.51 1r1y n HIS 89 N -3.90 0.00 0.00 0.00 8.25 0.21 -4.58 115.22 115.20 1r1y n HIS 89 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1r1y n HIS 89 Cb 0.69 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.80 1r1y n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1r1y n LYS 90 N -0.75 0.00 -0.29 -0.41 3.00 -0.61 -4.87 118.16 114.23 1r1y n LYS 90 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.29 1r1y n LYS 90 Cb 0.14 -0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.24 1r1y n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1r1y h LEU 91 N 0.00 0.94 -2.49 3.14 3.38 -1.47 -3.47 115.31 115.34 1r1y h LEU 91 Ca 0.00 -0.06 -0.49 0.00 0.09 0.00 0.00 57.88 57.42 1r1y h LEU 91 Cb 0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1r1y h LEU 91 CO 0.00 0.72 -0.92 0.54 0.09 0.00 0.00 178.44 178.87 1r1y n ARG 92 N -4.49 -2.30 -2.58 1.13 1.74 0.47 -4.92 116.66 105.71 1r1y n ARG 92 Ca 0.08 0.38 -0.42 0.00 -0.77 0.00 0.00 57.85 57.11 1r1y n ARG 92 Cb 0.05 -4.18 -0.03 0.00 -1.02 0.00 0.00 32.46 27.28 1r1y n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1r1y s VAL 93 N -3.80 4.52 0.31 1.55 1.01 -1.25 -4.98 120.40 117.75 1r1y s VAL 93 Ca 0.19 1.81 -0.29 0.00 0.00 0.00 0.00 61.98 63.68 1r1y s VAL 93 Cb -0.08 -4.16 -0.12 0.00 0.00 0.00 0.00 36.38 32.02 1r1y s VAL 93 CO 0.89 0.05 1.41 0.00 0.00 0.00 0.00 175.10 177.45 1r1y n ALA 94 N 4.71 1.64 -0.34 5.51 0.00 -1.26 -4.85 120.51 125.93 1r1y n ALA 94 Ca 0.09 0.37 0.24 0.00 0.00 0.00 0.00 53.44 54.14 1r1y n ALA 94 Cb 0.48 -2.32 0.51 0.00 0.00 0.00 0.00 19.45 18.12 1r1y n ALA 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1r1y h PRO 95 N 3.48 0.36 -0.30 0.00 0.11 -2.00 -1.96 132.00 131.70 1r1y h PRO 95 Ca -0.47 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.70 1r1y h PRO 95 Cb 1.26 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1r1y h PRO 95 CO 0.69 0.24 0.21 -0.24 -0.21 0.00 0.00 178.00 178.70 1r1y h VAL 96 N 0.37 0.88 0.00 3.15 3.04 -2.03 -1.82 116.25 119.84 1r1y h VAL 96 Ca 0.64 -0.02 -0.04 0.00 -1.01 0.00 0.00 66.70 66.26 1r1y h VAL 96 Cb 1.61 0.81 -0.01 0.00 -2.01 0.00 0.00 31.29 31.70 1r1y h VAL 96 CO -0.35 0.01 -0.20 0.78 -1.01 0.00 0.00 177.57 176.81 1r1y h ASN 97 N 0.06 0.00 0.14 3.17 2.35 -1.71 -1.97 115.58 117.62 1r1y h ASN 97 Ca 0.14 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 1r1y h ASN 97 Cb 0.48 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1r1y h ASN 97 CO -0.01 0.20 -0.16 -0.26 -1.65 0.00 0.00 177.43 175.54 1r1y h PHE 98 N 0.00 0.06 -0.21 1.19 0.04 -1.50 -1.78 116.94 114.75 1r1y h PHE 98 Ca -0.00 -0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.62 1r1y h PHE 98 Cb 0.43 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1r1y h PHE 98 CO 0.00 0.22 -0.45 0.87 -0.60 0.00 0.00 178.31 178.35 1r1y h LYS 99 N 0.06 0.52 -0.20 1.51 1.57 -1.49 -0.97 116.57 117.57 1r1y h LYS 99 Ca 0.01 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 1r1y h LYS 99 Cb 0.33 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1r1y h LYS 99 CO 0.02 0.87 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.66 1r1y h LEU 100 N 0.42 0.38 -0.59 2.94 3.38 -1.34 -2.01 115.31 118.50 1r1y h LEU 100 Ca 0.03 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.51 1r1y h LEU 100 Cb 0.95 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1r1y h LEU 100 CO 0.08 0.65 -0.22 0.25 0.09 0.00 0.00 178.44 179.30 1r1y h LEU 101 N 0.11 0.91 -0.17 1.67 5.85 -1.29 -1.54 115.31 120.84 1r1y h LEU 101 Ca 0.05 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.44 1r1y h LEU 101 Cb 0.48 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1r1y h LEU 101 CO 0.02 1.10 0.09 0.28 -0.34 0.00 0.00 178.44 179.59 1r1y h SER 102 N 0.77 0.14 -0.58 1.25 0.02 -1.16 0.31 113.55 114.31 1r1y h SER 102 Ca 0.10 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.10 1r1y h SER 102 Cb 0.77 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 1r1y h SER 102 CO 0.06 0.11 0.32 -0.74 -1.14 0.00 0.00 176.83 175.44 1r1y h HIS 103 N 0.20 0.59 0.00 3.45 -0.00 -1.24 -0.01 115.15 118.13 1r1y h HIS 103 Ca 0.07 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.39 1r1y h HIS 103 Cb 0.01 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.23 1r1y h HIS 103 CO -0.09 0.29 -0.34 0.00 -0.00 0.00 0.00 177.93 177.80 1r1y h LEU 105 N 0.00 0.57 -0.31 0.00 3.38 0.37 -0.85 115.31 118.47 1r1y h LEU 105 Ca -0.00 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.58 1r1y h LEU 105 Cb 0.69 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1r1y h LEU 105 CO 0.04 0.86 0.15 -0.07 0.09 0.00 0.00 178.44 179.52 1r1y h LEU 106 N 0.29 0.23 -1.00 1.67 3.38 -0.59 0.22 115.31 119.50 1r1y h LEU 106 Ca 0.06 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1r1y h LEU 106 Cb 0.64 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 1r1y h LEU 106 CO 0.04 0.17 0.65 0.58 0.09 0.00 0.00 178.44 179.98 1r1y h VAL 107 N 0.32 1.16 -0.40 1.22 2.07 -1.14 0.23 116.25 119.72 1r1y h VAL 107 Ca 0.13 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 1r1y h VAL 107 Cb 0.05 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.60 1r1y h VAL 107 CO -0.09 0.23 0.02 0.74 0.02 0.00 0.00 177.57 178.49 1r1y h THR 108 N 1.26 1.26 -0.36 2.57 2.02 -0.30 -0.99 112.91 118.36 1r1y h THR 108 Ca 0.40 -0.97 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 1r1y h THR 108 Cb 0.02 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1r1y h THR 108 CO -0.13 0.33 0.11 -0.07 0.37 0.00 0.00 175.52 176.13 1r1y h LEU 109 N 0.52 0.53 -0.78 2.58 4.07 -0.57 -2.63 115.31 119.04 1r1y h LEU 109 Ca 0.12 -0.21 0.05 0.00 0.08 0.00 0.00 57.88 57.92 1r1y h LEU 109 Cb 0.45 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 41.99 1r1y h LEU 109 CO 0.02 0.60 0.48 0.00 -1.08 0.00 0.00 178.44 178.45 1r1y h ALA 110 N 0.95 1.06 0.00 1.53 0.00 -0.29 0.26 119.26 122.78 1r1y h ALA 110 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1r1y h ALA 110 Cb 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1r1y h ALA 110 CO -0.00 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1r1y n ALA 111 N -2.34 1.71 0.09 0.00 0.00 -0.40 -3.05 120.51 116.52 1r1y n ALA 111 Ca 0.10 0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.56 1r1y n ALA 111 Cb 0.15 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.27 1r1y n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1r1y n HIS 112 N -1.84 0.00 -3.37 0.00 -0.00 -0.62 -4.84 115.22 104.55 1r1y n HIS 112 Ca 0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.47 1r1y n HIS 112 Cb 0.21 -0.02 -0.07 0.00 -0.00 0.00 0.00 29.99 30.11 1r1y n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1r1y n LEU 113 N -1.21 4.01 -0.31 2.41 4.77 0.83 -4.92 117.00 122.57 1r1y n LEU 113 Ca 0.00 -5.45 0.01 0.00 -0.03 0.00 0.00 56.01 50.55 1r1y n LEU 113 Cb 0.05 -0.71 0.14 0.00 -2.33 0.00 0.00 43.42 40.58 1r1y n LEU 113 CO 0.06 2.05 1.19 1.55 -1.33 0.00 0.00 177.39 180.90 1r1y h PRO 114 N 4.20 0.93 0.10 3.23 0.13 -1.85 -1.91 132.00 136.82 1r1y h PRO 114 Ca 0.20 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1r1y h PRO 114 Cb 0.65 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.57 1r1y h PRO 114 CO 0.87 0.61 -0.05 0.00 -0.23 0.00 0.00 178.00 179.21 1r1y h ALA 115 N 1.41 -0.14 0.00 -0.56 0.00 -1.95 -3.36 119.26 114.67 1r1y h ALA 115 Ca 0.38 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1r1y h ALA 115 Cb 0.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1r1y h ALA 115 CO -0.18 -0.25 0.00 1.05 0.00 0.00 0.00 179.25 179.87 1r1y h GLU 116 N -0.78 0.00 -2.99 0.00 9.09 -1.96 -3.38 114.58 114.56 1r1y h GLU 116 Ca -0.01 0.00 -0.65 0.00 0.05 0.00 0.00 59.36 58.74 1r1y h GLU 116 Cb 0.57 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.70 1r1y h GLU 116 CO 0.02 0.00 3.76 0.34 0.05 0.00 0.00 179.01 183.18 1r1y n PHE 117 N -2.81 2.35 -1.36 2.06 7.35 -0.72 -4.69 117.46 119.63 1r1y n PHE 117 Ca 0.04 -3.04 -0.29 0.00 -0.76 0.00 0.00 57.45 53.40 1r1y n PHE 117 Cb 0.44 -2.46 0.15 0.00 0.35 0.00 0.00 39.48 37.96 1r1y n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1r1y s THR 118 N 2.18 2.19 0.23 -2.13 -4.23 -1.26 -4.73 115.64 107.90 1r1y s THR 118 Ca 0.69 0.06 -0.07 0.00 -1.18 0.00 0.00 61.69 61.20 1r1y s THR 118 Cb 0.18 -2.69 0.19 0.00 1.34 0.00 0.00 72.50 71.52 1r1y s THR 118 CO -0.06 -0.08 1.84 -0.65 -0.54 0.00 0.00 174.62 175.13 1r1y h PRO 119 N -1.62 0.86 -0.70 3.99 0.11 -1.98 -0.06 132.00 132.59 1r1y h PRO 119 Ca -0.52 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.50 1r1y h PRO 119 Cb 1.32 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1r1y h PRO 119 CO 0.59 0.57 0.27 0.00 -0.21 0.00 0.00 178.00 179.22 1r1y h ALA 120 N 1.38 0.90 -0.42 -0.75 0.00 -1.95 -0.93 119.26 117.50 1r1y h ALA 120 Ca 0.35 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1r1y h ALA 120 Cb 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1r1y h ALA 120 CO -0.17 0.53 -0.31 0.28 0.00 0.00 0.00 179.25 179.57 1r1y h VAL 121 N 0.99 1.27 -0.33 0.00 2.07 -1.74 -1.46 116.25 117.05 1r1y h VAL 121 Ca 0.23 -1.48 0.04 0.00 0.82 0.00 0.00 66.70 66.31 1r1y h VAL 121 Cb 0.22 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1r1y h VAL 121 CO -0.02 0.50 0.09 -0.74 0.02 0.00 0.00 177.57 177.43 1r1y h HIS 122 N 0.79 0.16 -0.49 1.57 6.17 -0.74 0.26 115.15 122.87 1r1y h HIS 122 Ca 0.08 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.18 1r1y h HIS 122 Cb 0.90 -0.02 -0.02 0.00 2.52 0.00 0.00 27.41 30.78 1r1y h HIS 122 CO 0.06 0.05 0.30 0.00 0.71 0.00 0.00 177.93 179.06 1r1y h ALA 123 N 1.23 0.62 -0.52 5.26 0.00 -0.92 -0.94 119.26 123.98 1r1y h ALA 123 Ca 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1r1y h ALA 123 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1r1y h ALA 123 CO -0.18 0.09 0.16 0.77 0.00 0.00 0.00 179.25 180.10 1r1y h SER 124 N 0.65 0.76 -0.56 0.00 0.02 -0.65 -2.01 113.55 111.76 1r1y h SER 124 Ca 0.18 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 1r1y h SER 124 Cb -0.03 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 1r1y h SER 124 CO -0.03 0.77 0.09 -0.07 -1.14 0.00 0.00 176.83 176.44 1r1y h LEU 125 N 0.72 0.93 -0.70 5.07 3.38 -0.27 -0.43 115.31 124.00 1r1y h LEU 125 Ca 0.17 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1r1y h LEU 125 Cb 0.28 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1r1y h LEU 125 CO -0.01 0.93 0.13 -0.78 0.09 0.00 0.00 178.44 178.81 1r1y h ASP 126 N 0.92 1.08 -0.53 -0.43 3.58 -0.98 -0.87 116.42 119.18 1r1y h ASP 126 Ca 0.19 -0.25 -0.09 0.00 0.42 0.00 0.00 57.03 57.29 1r1y h ASP 126 Cb 0.41 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 1r1y h ASP 126 CO 0.01 1.05 -0.04 0.11 -2.88 0.00 0.00 179.24 177.50 1r1y h LYS 127 N 1.06 0.96 -0.09 0.28 1.57 -0.91 -1.87 116.57 117.57 1r1y h LYS 127 Ca 0.21 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1r1y h LYS 127 Cb 0.42 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1r1y h LYS 127 CO 0.01 0.99 0.05 0.35 -0.57 0.00 0.00 179.45 180.28 1r1y h PHE 128 N 0.84 0.12 -0.20 -1.35 3.57 -0.80 -0.24 116.94 118.88 1r1y h PHE 128 Ca 0.15 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 1r1y h PHE 128 Cb 0.58 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1r1y h PHE 128 CO 0.04 0.15 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.06 1r1y h LEU 129 N 0.06 0.31 -0.43 0.59 3.38 -1.10 -0.36 115.31 117.77 1r1y h LEU 129 Ca 0.03 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1r1y h LEU 129 Cb 0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1r1y h LEU 129 CO -0.01 0.49 -0.15 0.00 0.09 0.00 0.00 178.44 178.87 1r1y h ALA 130 N 1.55 0.60 -0.46 1.53 0.00 -1.06 -0.60 119.26 120.81 1r1y h ALA 130 Ca 0.06 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1r1y h ALA 130 Cb 0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1r1y h ALA 130 CO 0.03 0.52 -0.20 0.66 0.00 0.00 0.00 179.25 180.26 1r1y h SER 131 N 0.69 0.94 -0.27 0.00 4.64 -0.48 0.12 113.55 119.17 1r1y h SER 131 Ca 0.10 -0.34 0.01 0.00 -0.47 0.00 0.00 61.79 61.09 1r1y h SER 131 Cb 0.70 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1r1y h SER 131 CO 0.05 1.11 0.17 0.58 -0.87 0.00 0.00 176.83 177.87 1r1y h VAL 132 N 0.80 1.05 -0.27 0.95 2.07 -0.95 -0.23 116.25 119.68 1r1y h VAL 132 Ca 0.11 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.54 1r1y h VAL 132 Cb 0.75 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1r1y h VAL 132 CO 0.06 0.06 0.08 0.28 0.02 0.00 0.00 177.57 178.07 1r1y h SER 133 N 0.35 0.07 -0.56 0.57 0.02 -0.80 0.35 113.55 113.54 1r1y h SER 133 Ca 0.10 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.15 1r1y h SER 133 Cb -0.03 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.49 1r1y h SER 133 CO -0.03 0.07 0.26 0.74 -1.14 0.00 0.00 176.83 176.73 1r1y h THR 134 N 0.19 0.89 -0.28 -2.27 2.02 -0.42 -1.64 112.91 111.39 1r1y h THR 134 Ca 0.12 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1r1y h THR 134 Cb 0.10 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1r1y h THR 134 CO -0.14 0.09 0.16 0.58 0.37 0.00 0.00 175.52 176.58 1r1y h VAL 135 N 0.48 1.11 0.00 3.16 2.07 -0.36 -1.38 116.25 121.33 1r1y h VAL 135 Ca 0.26 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1r1y h VAL 135 Cb 0.23 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1r1y h VAL 135 CO -0.22 0.11 0.00 -0.07 0.02 0.00 0.00 177.57 177.41 1r1y h LEU 136 N 0.35 0.00 -1.88 2.57 3.38 -0.25 -2.04 115.31 117.44 1r1y h LEU 136 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1r1y h LEU 136 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1r1y h LEU 136 CO -0.02 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.86 1r1y n THR 137 N -2.92 0.29 0.32 0.22 -2.24 -0.68 -4.46 114.28 104.80 1r1y n THR 137 Ca -0.01 -0.64 0.21 0.00 -2.27 0.00 0.00 64.05 61.33 1r1y n THR 137 Cb 0.17 1.04 1.06 0.00 -2.10 0.00 0.00 70.33 70.50 1r1y n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1r1y h SER 138 N 2.39 0.00 -0.59 3.42 4.64 -0.49 -2.17 113.55 120.76 1r1y h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r1y h SER 138 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1r1y h SER 138 CO 0.00 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 1r1y n LYS 139 N -3.18 2.67 0.08 4.77 4.76 -1.26 -4.62 118.16 121.38 1r1y n LYS 139 Ca -0.02 -2.45 0.09 0.00 -2.87 0.00 0.00 58.31 53.05 1r1y n LYS 139 Cb 0.13 -1.50 0.55 0.00 -1.84 0.00 0.00 35.03 32.37 1r1y n LYS 139 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1r1y h TYR 140 N 3.86 0.25 0.00 2.13 0.99 -1.71 -3.47 116.97 119.02 1r1y h TYR 140 Ca 0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1r1y h TYR 140 Cb 0.93 -0.08 0.00 0.00 1.00 0.00 0.00 36.73 38.58 1r1y h TYR 140 CO 0.39 0.14 0.00 2.89 -0.00 0.00 0.00 178.16 181.58