#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r80 n LEU 2 N 0.00 3.36 -4.69 7.52 4.77 -1.26 -4.99 117.00 121.71 2r80 n LEU 2 Ca 0.00 1.13 -0.30 0.00 -0.03 0.00 0.00 56.01 56.81 2r80 n LEU 2 Cb 0.00 -1.46 0.15 0.00 -2.33 0.00 0.00 43.42 39.78 2r80 n LEU 2 CO 0.00 -0.31 0.65 -0.94 -1.33 0.00 0.00 177.39 175.46 2r80 s SER 3 N 0.47 3.12 0.30 -1.43 1.04 -1.26 -4.81 113.70 111.12 2r80 s SER 3 Ca 0.70 1.54 0.04 0.00 0.48 0.00 0.00 55.95 58.71 2r80 s SER 3 Cb -0.62 -2.21 0.65 0.00 0.10 0.00 0.00 66.02 63.94 2r80 s SER 3 CO 0.47 -2.87 1.82 0.00 0.98 0.00 0.00 173.24 173.64 2r80 h ALA 4 N -1.71 1.61 -0.42 5.32 0.00 -1.99 -1.49 119.26 120.59 2r80 h ALA 4 Ca -0.50 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 2r80 h ALA 4 Cb 1.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2r80 h ALA 4 CO 0.53 0.09 -0.10 -0.97 0.00 0.00 0.00 179.25 178.80 2r80 h ASN 5 N 0.88 0.81 -0.69 0.00 -1.24 -1.99 -1.37 115.58 111.98 2r80 h ASN 5 Ca 0.52 -0.36 -0.03 0.00 0.71 0.00 0.00 56.30 57.14 2r80 h ASN 5 Cb 0.66 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.46 2r80 h ASN 5 CO -0.30 0.99 0.32 0.44 -1.29 0.00 0.00 177.43 177.59 2r80 h ASP 6 N 0.63 0.92 -0.45 1.15 3.32 -1.79 -1.18 116.42 119.01 2r80 h ASP 6 Ca 0.11 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2r80 h ASP 6 Cb 0.63 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 2r80 h ASP 6 CO 0.04 0.81 0.28 0.11 -1.72 0.00 0.00 179.24 178.76 2r80 h LYS 7 N 0.97 0.61 -0.68 3.56 1.57 -1.05 -0.88 116.57 120.66 2r80 h LYS 7 Ca 0.24 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 2r80 h LYS 7 Cb 0.14 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2r80 h LYS 7 CO -0.03 0.43 0.22 0.77 -0.57 0.00 0.00 179.45 180.27 2r80 h SER 8 N 0.61 0.97 -0.58 0.86 0.02 -1.05 -1.17 113.55 113.21 2r80 h SER 8 Ca 0.16 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 2r80 h SER 8 Cb -0.03 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 2r80 h SER 8 CO -0.03 0.90 0.16 0.78 -1.14 0.00 0.00 176.83 177.49 2r80 h ASN 9 N 1.01 0.87 -0.32 3.07 2.35 -0.77 0.01 115.58 121.80 2r80 h ASN 9 Ca 0.22 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2r80 h ASN 9 Cb 0.27 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2r80 h ASN 9 CO -0.01 0.86 0.16 0.58 -1.65 0.00 0.00 177.43 177.37 2r80 h VAL 10 N 0.83 1.15 -0.24 2.81 2.07 -0.84 -1.21 116.25 120.82 2r80 h VAL 10 Ca 0.18 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 2r80 h VAL 10 Cb 0.32 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2r80 h VAL 10 CO -0.00 0.16 -0.21 0.11 0.02 0.00 0.00 177.57 177.65 2r80 h LYS 11 N 0.38 0.44 -0.59 1.57 1.57 -1.06 -0.94 116.57 117.95 2r80 h LYS 11 Ca 0.11 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 2r80 h LYS 11 Cb 0.11 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2r80 h LYS 11 CO -0.01 0.63 0.11 0.00 -0.57 0.00 0.00 179.45 179.61 2r80 h ALA 12 N 1.38 0.78 0.24 3.86 0.00 -0.73 0.98 119.26 125.76 2r80 h ALA 12 Ca 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2r80 h ALA 12 Cb 0.60 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2r80 h ALA 12 CO 0.04 0.52 -0.11 0.28 0.00 0.00 0.00 179.25 179.97 2r80 h VAL 13 N 0.86 0.82 0.00 0.00 2.07 -0.67 -2.74 116.25 116.60 2r80 h VAL 13 Ca 0.18 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 2r80 h VAL 13 Cb 0.40 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2r80 h VAL 13 CO 0.01 0.09 -0.42 -0.26 0.02 0.00 0.00 177.57 177.00 2r80 h PHE 14 N -0.52 0.00 0.00 1.57 0.04 -1.15 -1.34 116.94 115.54 2r80 h PHE 14 Ca -0.03 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 2r80 h PHE 14 Cb 0.39 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 2r80 h PHE 14 CO -0.01 0.42 -0.16 0.00 -0.60 0.00 0.00 178.31 177.96 2r80 h ALA 15 N 1.58 1.08 0.00 2.45 0.00 -0.79 0.28 119.26 123.86 2r80 h ALA 15 Ca -0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 2r80 h ALA 15 Cb 1.03 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2r80 h ALA 15 CO 0.05 0.20 -0.83 -0.22 0.00 0.00 0.00 179.25 178.46 2r80 h LYS 16 N 0.00 0.00 -0.35 0.00 3.64 -1.14 -3.42 116.57 115.30 2r80 h LYS 16 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2r80 h LYS 16 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2r80 h LYS 16 CO 0.02 0.93 0.00 0.44 -2.27 0.00 0.00 179.45 178.57 2r80 n ILE 17 N -4.50 1.24 -0.02 2.00 -5.35 -0.54 -4.63 119.36 107.57 2r80 n ILE 17 Ca -0.24 -1.15 0.22 0.00 -0.27 0.00 0.00 62.75 61.31 2r80 n ILE 17 Cb 0.59 0.36 0.71 0.00 -1.74 0.00 0.00 39.64 39.56 2r80 n ILE 17 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2r80 h GLY 18 N 2.12 0.00 1.87 3.28 0.00 -0.62 -1.48 103.07 108.24 2r80 h GLY 18 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2r80 h GLY 18 CO 0.04 0.00 -0.45 -1.33 0.00 0.00 0.00 176.54 174.81 2r80 h GLY 19 N 0.00 0.15 -0.86 4.60 0.00 -1.82 -2.87 103.07 102.27 2r80 h GLY 19 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2r80 h GLY 19 CO -0.00 0.14 -0.18 -1.06 0.00 0.00 0.00 176.54 175.44 2r80 n GLN 20 N -4.00 1.56 -0.31 4.80 6.02 -0.60 -4.53 117.38 120.32 2r80 n GLN 20 Ca -0.02 -1.14 0.00 0.00 -0.01 0.00 0.00 57.00 55.84 2r80 n GLN 20 Cb 0.49 -1.48 0.19 0.00 1.02 0.00 0.00 30.24 30.46 2r80 n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2r80 h ALA 21 N 4.19 1.40 0.09 -1.58 0.00 -1.20 -1.40 119.26 120.76 2r80 h ALA 21 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2r80 h ALA 21 Cb 0.71 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2r80 h ALA 21 CO 0.00 0.53 -0.17 0.78 0.00 0.00 0.00 179.25 180.39 2r80 h GLY 22 N 1.17 -0.29 0.73 0.00 0.00 -1.80 -0.24 103.07 102.63 2r80 h GLY 22 Ca 0.35 0.19 0.07 0.00 0.00 0.00 0.00 47.33 47.94 2r80 h GLY 22 CO -0.09 -0.16 0.63 -0.55 0.00 0.00 0.00 176.54 176.37 2r80 h ASP 23 N -0.32 1.00 -0.43 0.19 5.19 -1.76 -2.28 116.42 118.01 2r80 h ASP 23 Ca 0.02 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.42 2r80 h ASP 23 Cb 0.34 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 2r80 h ASP 23 CO -0.09 0.64 0.17 -0.07 -3.12 0.00 0.00 179.24 176.76 2r80 h LEU 24 N 1.14 0.63 -0.39 1.55 3.38 -0.77 -2.19 115.31 118.66 2r80 h LEU 24 Ca 0.43 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.24 2r80 h LEU 24 Cb 0.18 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2r80 h LEU 24 CO -0.18 0.59 -0.05 1.23 0.09 0.00 0.00 178.44 180.12 2r80 h GLY 25 N 0.85 0.78 0.61 0.83 0.00 -0.50 -0.39 103.07 105.25 2r80 h GLY 25 Ca 0.16 -0.61 0.07 0.00 0.00 0.00 0.00 47.33 46.95 2r80 h GLY 25 CO -0.01 0.56 0.37 -1.33 0.00 0.00 0.00 176.54 176.13 2r80 h GLY 26 N 0.54 1.01 1.46 4.60 0.00 -1.19 -1.70 103.07 107.79 2r80 h GLY 26 Ca 0.10 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.05 2r80 h GLY 26 CO 0.03 0.13 -0.43 -2.09 0.00 0.00 0.00 176.54 174.18 2r80 h GLU 27 N 0.66 0.59 -0.82 4.80 4.81 -1.11 -1.62 114.58 121.89 2r80 h GLU 27 Ca 0.32 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2r80 h GLU 27 Cb 0.25 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 2r80 h GLU 27 CO -0.21 0.91 0.49 0.00 -0.73 0.00 0.00 179.01 179.47 2r80 h ALA 28 N 1.05 1.05 -0.28 2.92 0.00 -0.76 -0.51 119.26 122.73 2r80 h ALA 28 Ca 0.04 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 2r80 h ALA 28 Cb 0.94 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2r80 h ALA 28 CO 0.08 0.52 -0.45 1.25 0.00 0.00 0.00 179.25 180.65 2r80 h LEU 29 N 1.13 0.89 -0.57 0.00 5.85 -1.11 0.10 115.31 121.60 2r80 h LEU 29 Ca 0.29 -0.52 0.05 0.00 0.84 0.00 0.00 57.88 58.55 2r80 h LEU 29 Cb -0.04 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.69 2r80 h LEU 29 CO -0.05 1.24 0.29 -0.33 -0.34 0.00 0.00 178.44 179.24 2r80 h GLU 30 N 0.57 0.53 -0.45 1.25 5.08 -1.10 -1.84 114.58 118.62 2r80 h GLU 30 Ca 0.02 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 2r80 h GLU 30 Cb 1.05 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 2r80 h GLU 30 CO 0.10 0.35 -0.01 0.00 -1.00 0.00 0.00 179.01 178.46 2r80 h ARG 31 N 0.55 0.73 -0.46 2.33 3.08 -0.80 -2.25 114.38 117.56 2r80 h ARG 31 Ca 0.26 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 60.14 2r80 h ARG 31 Cb 0.18 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 2r80 h ARG 31 CO -0.18 0.75 0.27 1.25 -1.07 0.00 0.00 179.97 180.99 2r80 h LEU 32 N 0.69 0.43 -0.69 3.04 5.85 -0.48 -0.42 115.31 123.74 2r80 h LEU 32 Ca 0.14 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.72 2r80 h LEU 32 Cb 0.44 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2r80 h LEU 32 CO 0.02 0.31 -0.58 -0.26 -0.34 0.00 0.00 178.44 177.59 2r80 h PHE 33 N 0.54 0.30 0.10 1.25 0.04 -1.15 -0.52 116.94 117.51 2r80 h PHE 33 Ca 0.18 -0.11 -0.30 0.00 2.80 0.00 0.00 57.97 60.54 2r80 h PHE 33 Cb 0.02 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 2r80 h PHE 33 CO -0.07 0.76 -1.54 0.82 -0.60 0.00 0.00 178.31 177.68 2r80 h ILE 34 N 0.18 1.13 0.08 -0.55 2.04 -1.29 -3.20 117.51 115.90 2r80 h ILE 34 Ca -0.00 -2.80 -0.28 0.00 1.00 0.00 0.00 64.86 62.79 2r80 h ILE 34 Cb 1.07 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.86 2r80 h ILE 34 CO 0.09 0.80 -1.36 0.74 0.00 0.00 0.00 178.15 178.42 2r80 h THR 35 N 0.06 1.33 -2.40 -0.27 2.02 -1.10 -3.39 112.91 109.16 2r80 h THR 35 Ca -0.24 -2.99 -0.59 0.00 0.77 0.00 0.00 66.41 63.35 2r80 h THR 35 Cb 2.00 2.79 -0.40 0.00 -1.74 0.00 0.00 68.15 70.80 2r80 h THR 35 CO 0.15 0.84 -0.82 -1.22 0.37 0.00 0.00 175.52 174.83 2r80 n TYR 36 N -3.41 1.29 0.27 3.16 4.02 -0.21 -4.98 117.16 117.31 2r80 n TYR 36 Ca -0.11 -3.81 0.18 0.00 -0.01 0.00 0.00 57.90 54.15 2r80 n TYR 36 Cb 1.02 -0.30 0.93 0.00 -0.02 0.00 0.00 39.34 40.97 2r80 n TYR 36 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2r80 h PRO 37 N 4.81 0.00 -0.01 -0.72 0.11 -1.73 -1.24 132.00 133.22 2r80 h PRO 37 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2r80 h PRO 37 Cb 0.81 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 2r80 h PRO 37 CO 0.59 0.00 0.01 -0.56 -0.21 0.00 0.00 178.00 177.82 2r80 h GLN 38 N 0.00 0.00 0.00 1.05 -0.00 -1.91 -2.11 115.11 112.14 2r80 h GLN 38 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 2r80 h GLN 38 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.85 2r80 h GLN 38 CO -0.00 0.00 0.00 1.79 -0.00 0.00 0.00 178.83 180.62 2r80 h THR 39 N 0.00 0.00 0.00 1.86 1.35 -1.54 -2.88 112.91 111.70 2r80 h THR 39 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2r80 h THR 39 Cb 0.01 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2r80 h THR 39 CO -0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 2r80 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.59 -2.55 116.57 118.73 2r80 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2r80 h LYS 40 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2r80 h LYS 40 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.13 2r80 n THR 41 N -2.86 0.22 1.13 -0.16 -2.24 -1.09 -1.43 114.28 107.86 2r80 n THR 41 Ca -0.01 0.06 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 2r80 n THR 41 Cb 0.19 -0.66 0.52 0.00 -2.10 0.00 0.00 70.33 68.27 2r80 n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2r80 n TYR 42 N -1.26 0.00 -2.46 4.78 4.01 -0.96 -4.25 117.16 117.03 2r80 n TYR 42 Ca 0.12 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.66 2r80 n TYR 42 Cb 0.18 -0.33 0.02 0.00 -0.31 0.00 0.00 39.34 38.90 2r80 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2r80 n PHE 43 N -1.33 2.57 0.51 -0.72 3.72 -0.52 -4.82 117.46 116.88 2r80 n PHE 43 Ca 0.09 -2.76 0.10 0.00 -0.05 0.00 0.00 57.45 54.83 2r80 n PHE 43 Cb 0.32 -0.22 0.42 0.00 -0.94 0.00 0.00 39.48 39.06 2r80 n PHE 43 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2r80 n PRO 44 N -0.45 0.10 -0.05 -1.08 -0.04 -1.25 -1.75 135.00 130.48 2r80 n PRO 44 Ca 0.30 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 64.18 2r80 n PRO 44 Cb 0.78 -1.67 0.34 0.00 -0.04 0.00 0.00 33.50 32.90 2r80 n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2r80 n HIS 45 N -1.86 0.12 -4.00 0.54 1.44 -1.26 -4.90 115.22 105.30 2r80 n HIS 45 Ca 0.03 -0.06 -0.26 0.00 -2.01 0.00 0.00 57.72 55.42 2r80 n HIS 45 Cb 0.23 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.30 2r80 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2r80 s PHE 46 N -1.88 3.36 -0.46 -1.40 2.99 -0.71 -5.06 117.98 114.81 2r80 s PHE 46 Ca 0.34 0.07 -0.29 0.00 0.00 0.00 0.00 56.93 57.05 2r80 s PHE 46 Cb 0.20 -1.61 0.02 0.00 0.00 0.00 0.00 43.02 41.63 2r80 s PHE 46 CO 0.31 0.52 1.27 0.34 -0.00 0.00 0.00 175.22 177.66 2r80 s ASP 47 N -3.18 6.46 -0.18 1.36 2.15 -1.26 -4.89 116.67 117.14 2r80 s ASP 47 Ca 0.33 0.58 0.16 0.00 0.43 0.00 0.00 52.55 54.05 2r80 s ASP 47 Cb -0.11 -2.55 0.69 0.00 -0.30 0.00 0.00 42.92 40.66 2r80 s ASP 47 CO 0.27 -1.37 1.61 0.18 -0.17 0.00 0.00 175.17 175.68 2r80 n LEU 48 N 8.40 4.85 -4.76 -1.34 4.77 -1.26 -4.36 117.00 123.30 2r80 n LEU 48 Ca 0.14 -2.78 -0.38 0.00 -0.03 0.00 0.00 56.01 52.96 2r80 n LEU 48 Cb 0.49 -0.60 0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2r80 n LEU 48 CO 0.71 0.70 0.94 -0.94 -1.33 0.00 0.00 177.39 177.47 2r80 s SER 49 N -1.14 5.55 0.26 -1.43 1.04 -1.26 -4.91 113.70 111.81 2r80 s SER 49 Ca 0.49 2.64 -0.30 0.00 0.48 0.00 0.00 55.95 59.26 2r80 s SER 49 Cb 0.36 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.75 2r80 s SER 49 CO 0.16 -1.37 1.34 -1.00 0.98 0.00 0.00 173.24 173.35 2r80 s HIS 50 N -1.37 3.14 0.00 5.02 0.09 -1.26 -1.74 115.29 119.16 2r80 s HIS 50 Ca 0.69 1.25 0.00 0.00 -0.00 0.00 0.00 55.06 57.00 2r80 s HIS 50 Cb -0.37 -3.68 0.00 0.00 -0.00 0.00 0.00 32.58 28.53 2r80 s HIS 50 CO 0.44 -2.04 0.00 0.41 -0.00 0.00 0.00 174.74 173.55 2r80 n GLY 51 N 1.77 1.11 3.72 -2.22 0.00 -1.26 -5.03 105.19 103.28 2r80 n GLY 51 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2r80 n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2r80 n SER 52 N 0.00 3.11 0.24 1.61 3.41 -0.71 -4.87 113.62 116.41 2r80 n SER 52 Ca 0.00 1.20 0.08 0.00 -0.26 0.00 0.00 58.87 59.90 2r80 n SER 52 Cb 0.00 -1.52 0.60 0.00 -0.26 0.00 0.00 64.21 63.03 2r80 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2r80 h ALA 53 N 2.99 1.52 -0.12 7.33 0.00 -1.90 -2.57 119.26 126.51 2r80 h ALA 53 Ca -0.47 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.11 2r80 h ALA 53 Cb 1.27 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2r80 h ALA 53 CO 0.66 0.20 -0.68 1.96 0.00 0.00 0.00 179.25 181.38 2r80 h GLN 54 N 0.00 0.51 -0.54 0.00 4.20 -1.90 0.55 115.11 117.92 2r80 h GLN 54 Ca -0.00 -0.38 -0.06 0.00 0.06 0.00 0.00 58.65 58.27 2r80 h GLN 54 Cb 0.32 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 2r80 h GLN 54 CO 0.02 1.00 0.10 0.82 -0.67 0.00 0.00 178.83 180.11 2r80 h ILE 55 N 0.36 1.25 -0.38 2.54 2.04 -1.69 -1.01 117.51 120.62 2r80 h ILE 55 Ca -0.02 -0.93 -0.13 0.00 1.00 0.00 0.00 64.86 64.78 2r80 h ILE 55 Cb 1.25 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 2r80 h ILE 55 CO 0.12 0.34 -0.26 0.11 0.00 0.00 0.00 178.15 178.46 2r80 h LYS 56 N 0.78 0.85 -0.51 2.37 1.57 -1.32 0.34 116.57 120.66 2r80 h LYS 56 Ca 0.17 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2r80 h LYS 56 Cb 0.39 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2r80 h LYS 56 CO 0.01 1.05 0.33 0.78 -0.57 0.00 0.00 179.45 181.04 2r80 h GLY 57 N 0.66 0.72 0.87 3.86 0.00 -0.84 -1.88 103.07 106.46 2r80 h GLY 57 Ca 0.08 -0.27 -0.13 0.00 0.00 0.00 0.00 47.33 47.00 2r80 h GLY 57 CO 0.07 0.27 -0.44 0.84 0.00 0.00 0.00 176.54 177.28 2r80 h HIS 58 N 0.69 0.69 -0.77 5.60 -0.00 -0.98 -2.67 115.15 117.70 2r80 h HIS 58 Ca 0.19 -0.28 0.09 0.00 -0.00 0.00 0.00 60.37 60.36 2r80 h HIS 58 Cb -0.07 -0.11 -0.05 0.00 -0.00 0.00 0.00 27.41 27.18 2r80 h HIS 58 CO -0.04 1.04 0.51 0.78 -0.00 0.00 0.00 177.93 180.22 2r80 h GLY 59 N 0.13 1.00 0.99 5.26 0.00 -0.93 -1.14 103.07 108.38 2r80 h GLY 59 Ca -0.02 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.03 2r80 h GLY 59 CO 0.09 0.18 0.43 1.70 0.00 0.00 0.00 176.54 178.94 2r80 h LYS 60 N 0.72 0.86 -0.53 4.80 3.64 -1.22 -1.90 116.57 122.93 2r80 h LYS 60 Ca 0.35 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.62 2r80 h LYS 60 Cb 0.42 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2r80 h LYS 60 CO -0.13 0.57 0.07 0.87 -2.27 0.00 0.00 179.45 178.56 2r80 h LYS 61 N 0.88 0.84 -0.62 1.90 1.57 -0.90 -1.47 116.57 118.77 2r80 h LYS 61 Ca 0.24 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2r80 h LYS 61 Cb -0.09 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 2r80 h LYS 61 CO -0.06 0.79 0.32 0.28 -0.57 0.00 0.00 179.45 180.22 2r80 h VAL 62 N 0.79 1.20 -0.12 0.50 2.07 -0.93 -2.21 116.25 117.56 2r80 h VAL 62 Ca 0.17 -0.54 -0.15 0.00 0.82 0.00 0.00 66.70 67.00 2r80 h VAL 62 Cb 0.37 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2r80 h VAL 62 CO 0.01 0.23 -0.55 0.00 0.02 0.00 0.00 177.57 177.27 2r80 h ALA 63 N 1.15 0.83 -0.06 1.67 0.00 -1.13 -2.21 119.26 119.50 2r80 h ALA 63 Ca 0.22 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2r80 h ALA 63 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2r80 h ALA 63 CO -0.03 0.69 -0.28 0.93 0.00 0.00 0.00 179.25 180.56 2r80 h GLU 64 N 0.28 0.11 -0.42 0.00 5.08 -1.09 -0.83 114.58 117.71 2r80 h GLU 64 Ca 0.00 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 2r80 h GLU 64 Cb 1.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2r80 h GLU 64 CO 0.09 0.39 -0.29 0.00 -1.00 0.00 0.00 179.01 178.20 2r80 h ALA 65 N 1.61 0.60 -0.92 3.43 0.00 -1.00 -1.59 119.26 121.40 2r80 h ALA 65 Ca 0.02 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.52 2r80 h ALA 65 Cb 0.56 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2r80 h ALA 65 CO 0.04 0.64 0.61 -0.07 0.00 0.00 0.00 179.25 180.47 2r80 h LEU 66 N 0.77 1.05 -0.56 0.00 3.38 -0.79 -0.60 115.31 118.56 2r80 h LEU 66 Ca 0.08 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2r80 h LEU 66 Cb 0.88 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2r80 h LEU 66 CO 0.08 0.76 -0.18 0.58 0.09 0.00 0.00 178.44 179.77 2r80 h VAL 67 N 1.24 1.27 -0.59 1.22 2.07 -1.01 0.05 116.25 120.49 2r80 h VAL 67 Ca 0.34 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 2r80 h VAL 67 Cb -0.14 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2r80 h VAL 67 CO -0.07 0.46 0.32 -0.08 0.02 0.00 0.00 177.57 178.21 2r80 h GLU 68 N 0.85 0.83 -0.83 1.57 4.57 -0.97 -0.70 114.58 119.89 2r80 h GLU 68 Ca 0.12 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2r80 h GLU 68 Cb 0.74 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.13 2r80 h GLU 68 CO 0.06 0.64 0.51 0.00 -1.18 0.00 0.00 179.01 179.04 2r80 h ALA 69 N 1.14 1.06 -0.80 2.92 0.00 -0.74 -1.98 119.26 120.86 2r80 h ALA 69 Ca 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2r80 h ALA 69 Cb 0.06 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 2r80 h ALA 69 CO -0.03 0.52 0.36 0.00 0.00 0.00 0.00 179.25 180.10 2r80 h ALA 70 N 1.27 1.13 0.00 0.00 0.00 -0.64 -2.13 119.26 118.90 2r80 h ALA 70 Ca 0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2r80 h ALA 70 Cb -0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 2r80 h ALA 70 CO -0.06 0.64 -0.10 -0.91 0.00 0.00 0.00 179.25 178.83 2r80 h ASN 71 N 1.14 0.00 -1.34 0.00 2.35 -0.79 -3.18 115.58 113.76 2r80 h ASN 71 Ca 0.27 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.53 2r80 h ASN 71 Cb 0.15 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 38.11 2r80 h ASN 71 CO -0.03 0.10 -0.92 1.41 -1.65 0.00 0.00 177.43 176.33 2r80 n HIS 72 N -3.19 2.47 0.34 1.19 8.25 -0.78 -4.92 115.22 118.58 2r80 n HIS 72 Ca 0.01 -3.03 0.09 0.00 -0.26 0.00 0.00 57.72 54.54 2r80 n HIS 72 Cb 0.42 -0.22 0.40 0.00 1.12 0.00 0.00 29.99 31.71 2r80 n HIS 72 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2r80 n ILE 73 N -0.29 1.06 0.73 1.59 3.06 -0.81 -1.95 119.36 122.74 2r80 n ILE 73 Ca 0.27 0.36 0.12 0.00 -2.50 0.00 0.00 62.75 60.99 2r80 n ILE 73 Cb 0.72 -1.26 0.23 0.00 0.54 0.00 0.00 39.64 39.87 2r80 n ILE 73 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 2r80 n ASP 74 N -1.94 0.60 -3.20 9.51 8.00 -1.26 -4.39 116.55 123.86 2r80 n ASP 74 Ca 0.02 0.04 -0.21 0.00 0.71 0.00 0.00 54.79 55.35 2r80 n ASP 74 Cb 0.15 0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.32 2r80 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2r80 n ASP 75 N -1.89 -1.04 0.11 -2.24 2.03 -0.82 -4.98 116.55 107.71 2r80 n ASP 75 Ca 0.04 -2.59 -0.03 0.00 0.52 0.00 0.00 54.79 52.72 2r80 n ASP 75 Cb 0.40 -0.01 0.13 0.00 -0.72 0.00 0.00 41.12 40.93 2r80 n ASP 75 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2r80 h ILE 76 N 4.04 1.43 0.00 5.18 2.04 -1.76 -2.48 117.51 125.96 2r80 h ILE 76 Ca 0.16 -2.13 0.02 0.00 1.00 0.00 0.00 64.86 63.92 2r80 h ILE 76 Cb 0.95 2.13 -0.03 0.00 -0.74 0.00 0.00 36.82 39.12 2r80 h ILE 76 CO 0.32 0.62 -0.15 0.00 0.00 0.00 0.00 178.15 178.94 2r80 h ALA 77 N 1.27 -0.18 -0.37 1.87 0.00 -1.93 -2.04 119.26 117.88 2r80 h ALA 77 Ca -0.01 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2r80 h ALA 77 Cb 1.14 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 2r80 h ALA 77 CO 0.09 -0.64 -0.05 0.78 0.00 0.00 0.00 179.25 179.43 2r80 h GLY 78 N -0.25 0.31 1.33 0.00 0.00 -1.93 -2.64 103.07 99.90 2r80 h GLY 78 Ca 0.05 0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.49 2r80 h GLY 78 CO -0.14 -0.12 0.40 0.00 0.00 0.00 0.00 176.54 176.68 2r80 h ALA 79 N 1.34 1.65 -0.55 3.60 0.00 -1.18 -3.09 119.26 121.03 2r80 h ALA 79 Ca 0.18 -0.03 -0.39 0.00 0.00 0.00 0.00 54.91 54.66 2r80 h ALA 79 Cb 0.26 -0.21 -0.28 0.00 0.00 0.00 0.00 17.79 17.57 2r80 h ALA 79 CO -0.34 0.29 -0.49 1.28 0.00 0.00 0.00 179.25 179.99 2r80 n LEU 80 N -4.46 4.60 0.31 0.00 4.77 -0.79 -4.84 117.00 116.59 2r80 n LEU 80 Ca 0.07 -4.39 -0.17 0.00 -0.03 0.00 0.00 56.01 51.49 2r80 n LEU 80 Cb 0.11 -0.48 -0.09 0.00 -2.33 0.00 0.00 43.42 40.63 2r80 n LEU 80 CO 0.35 1.78 0.65 0.77 -1.33 0.00 0.00 177.39 179.61 2r80 h SER 81 N 1.74 -0.65 -0.64 -1.43 4.64 -1.40 -2.48 113.55 113.33 2r80 h SER 81 Ca 0.29 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.58 2r80 h SER 81 Cb 1.38 0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.60 2r80 h SER 81 CO 0.62 -0.43 0.30 0.07 -0.87 0.00 0.00 176.83 176.52 2r80 h LYS 82 N -0.82 0.96 0.00 4.77 2.10 -1.88 -2.78 116.57 118.92 2r80 h LYS 82 Ca -0.08 -0.14 -0.06 0.00 -2.00 0.00 0.00 60.65 58.37 2r80 h LYS 82 Cb 0.61 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 2r80 h LYS 82 CO 0.13 0.76 -0.27 -0.07 -2.00 0.00 0.00 179.45 178.00 2r80 h LEU 83 N 0.95 0.00 0.06 7.07 3.38 -1.88 -2.10 115.31 122.79 2r80 h LEU 83 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2r80 h LEU 83 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2r80 h LEU 83 CO -0.03 0.27 -0.03 0.28 0.09 0.00 0.00 178.44 179.03 2r80 h SER 84 N 0.00 -0.06 -0.48 -0.43 0.02 -1.16 -1.96 113.55 109.48 2r80 h SER 84 Ca -0.00 -0.50 0.06 0.00 -0.84 0.00 0.00 61.79 60.51 2r80 h SER 84 Cb 0.50 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 2r80 h SER 84 CO 0.04 0.49 0.32 0.44 -1.14 0.00 0.00 176.83 176.98 2r80 h ASP 85 N -0.65 0.36 -0.09 3.07 3.32 -1.55 -1.91 116.42 118.98 2r80 h ASP 85 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2r80 h ASP 85 Cb 0.56 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 2r80 h ASP 85 CO 0.01 0.24 0.05 0.25 -1.72 0.00 0.00 179.24 178.07 2r80 h LEU 86 N 0.41 0.11 0.10 1.55 5.85 -1.21 -1.72 115.31 120.40 2r80 h LEU 86 Ca 0.21 -0.08 -0.29 0.00 0.84 0.00 0.00 57.88 58.56 2r80 h LEU 86 Cb 0.30 -0.03 0.02 0.00 0.37 0.00 0.00 40.66 41.32 2r80 h LEU 86 CO -0.05 0.16 -1.25 0.45 -0.34 0.00 0.00 178.44 177.40 2r80 h HIS 87 N 0.05 0.74 0.04 1.25 3.86 -0.87 0.33 115.15 120.55 2r80 h HIS 87 Ca 0.03 -0.50 -0.32 0.00 -1.16 0.00 0.00 60.37 58.42 2r80 h HIS 87 Cb 0.07 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.46 2r80 h HIS 87 CO -0.05 1.37 -1.80 0.00 0.86 0.00 0.00 177.93 178.31 2r80 n ALA 88 N -2.61 0.93 -0.07 2.45 0.00 -0.76 -1.64 120.51 118.82 2r80 n ALA 88 Ca -0.11 -0.66 -0.14 0.00 0.00 0.00 0.00 53.44 52.53 2r80 n ALA 88 Cb 1.00 -0.47 -0.13 0.00 0.00 0.00 0.00 19.45 19.85 2r80 n ALA 88 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2r80 h GLN 89 N -0.54 0.01 0.00 0.00 1.08 -1.51 -3.21 115.11 110.94 2r80 h GLN 89 Ca -0.44 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 56.73 2r80 h GLN 89 Cb 1.65 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 29.09 2r80 h GLN 89 CO -0.12 1.01 -0.07 0.87 -0.95 0.00 0.00 178.83 179.57 2r80 h LYS 90 N -0.98 0.00 0.00 1.46 1.57 -1.29 -3.38 116.57 113.94 2r80 h LYS 90 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2r80 h LYS 90 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2r80 h LYS 90 CO 0.00 0.63 -0.59 -0.07 -0.57 0.00 0.00 179.45 178.85 2r80 h LEU 91 N -1.00 0.00 -1.69 2.94 3.38 -1.06 -3.49 115.31 114.40 2r80 h LEU 91 Ca -0.01 -0.03 -0.49 0.00 0.09 0.00 0.00 57.88 57.44 2r80 h LEU 91 Cb 0.65 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 2r80 h LEU 91 CO -0.01 0.02 -0.86 0.54 0.09 0.00 0.00 178.44 178.22 2r80 n ARG 92 N -2.70 -3.84 -2.18 1.13 5.12 -0.86 -4.89 116.66 108.45 2r80 n ARG 92 Ca 0.02 0.46 -0.42 0.00 -1.93 0.00 0.00 57.85 55.98 2r80 n ARG 92 Cb 0.52 -4.83 -0.03 0.00 -1.16 0.00 0.00 32.46 26.96 2r80 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2r80 s VAL 93 N -3.75 3.31 0.21 1.55 1.01 -0.65 -4.94 120.40 117.13 2r80 s VAL 93 Ca 0.16 0.95 -0.32 0.00 0.00 0.00 0.00 61.98 62.77 2r80 s VAL 93 Cb -0.08 -3.61 -0.12 0.00 0.00 0.00 0.00 36.38 32.57 2r80 s VAL 93 CO 0.87 0.08 1.72 -0.67 0.00 0.00 0.00 175.10 177.10 2r80 n ASP 94 N 3.83 4.00 0.31 3.32 -0.08 -1.26 -4.86 116.55 121.81 2r80 n ASP 94 Ca 0.11 1.06 0.18 0.00 -1.51 0.00 0.00 54.79 54.63 2r80 n ASP 94 Cb 0.42 -1.58 1.00 0.00 2.34 0.00 0.00 41.12 43.31 2r80 n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2r80 h PRO 95 N 6.74 0.00 0.00 -0.67 0.11 -2.00 -1.54 132.00 134.65 2r80 h PRO 95 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 2r80 h PRO 95 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2r80 h PRO 95 CO 0.95 0.02 -0.07 -0.39 -0.21 0.00 0.00 178.00 178.31 2r80 h VAL 96 N 0.00 0.44 0.00 3.15 -1.51 -2.03 -2.70 116.25 113.60 2r80 h VAL 96 Ca -0.00 -0.33 -0.02 0.00 -1.23 0.00 0.00 66.70 65.12 2r80 h VAL 96 Cb 0.09 1.23 -0.00 0.00 -2.13 0.00 0.00 31.29 30.47 2r80 h VAL 96 CO 0.00 0.07 -0.09 0.78 -1.23 0.00 0.00 177.57 177.10 2r80 h ASN 97 N 0.00 0.00 -0.25 4.19 2.35 -1.65 -3.07 115.58 117.15 2r80 h ASN 97 Ca -0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 2r80 h ASN 97 Cb 0.22 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 2r80 h ASN 97 CO 0.01 0.09 -0.13 -0.26 -1.65 0.00 0.00 177.43 175.49 2r80 h PHE 98 N 0.00 0.73 -0.09 1.19 0.04 -1.65 -2.06 116.94 115.10 2r80 h PHE 98 Ca -0.00 -0.13 -0.09 0.00 2.80 0.00 0.00 57.97 60.54 2r80 h PHE 98 Cb 0.89 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 2r80 h PHE 98 CO 0.00 0.76 -0.37 0.87 -0.60 0.00 0.00 178.31 178.97 2r80 h LYS 99 N 0.61 0.19 -0.15 1.51 1.57 -1.70 -1.23 116.57 117.36 2r80 h LYS 99 Ca 0.10 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2r80 h LYS 99 Cb 0.57 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 2r80 h LYS 99 CO 0.04 0.54 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.32 2r80 h LEU 100 N 0.16 0.31 -0.74 2.94 3.38 -1.51 -1.35 115.31 118.50 2r80 h LEU 100 Ca 0.02 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.50 2r80 h LEU 100 Cb 0.74 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2r80 h LEU 100 CO 0.06 0.64 0.02 0.25 0.09 0.00 0.00 178.44 179.50 2r80 h LEU 101 N -0.03 0.96 -0.84 1.67 5.85 -1.29 -2.20 115.31 119.43 2r80 h LEU 101 Ca 0.03 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 2r80 h LEU 101 Cb 0.52 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2r80 h LEU 101 CO 0.02 1.00 0.26 1.23 -0.34 0.00 0.00 178.44 180.61 2r80 h GLY 102 N 1.01 1.21 0.96 3.75 0.00 -1.16 -1.40 103.07 107.44 2r80 h GLY 102 Ca 0.17 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 2r80 h GLY 102 CO 0.02 0.64 0.21 0.84 0.00 0.00 0.00 176.54 178.25 2r80 h HIS 103 N 1.09 0.55 -0.96 5.60 -0.00 -1.05 -2.35 115.15 118.04 2r80 h HIS 103 Ca 0.24 -0.02 0.14 0.00 -0.00 0.00 0.00 60.37 60.74 2r80 h HIS 103 Cb 0.26 -0.18 -0.08 0.00 -0.00 0.00 0.00 27.41 27.41 2r80 h HIS 103 CO 0.02 0.44 0.61 0.00 -0.00 0.00 0.00 177.93 179.00 2r80 h PHE 105 N 0.82 1.08 -0.70 0.00 3.57 -0.76 -1.77 116.94 119.19 2r80 h PHE 105 Ca 0.49 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.84 2r80 h PHE 105 Cb 0.67 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 2r80 h PHE 105 CO -0.00 0.82 0.15 -0.07 -2.23 0.00 0.00 178.31 176.97 2r80 h LEU 106 N 1.03 1.08 -0.18 0.59 3.38 -0.92 -1.61 115.31 118.67 2r80 h LEU 106 Ca 0.24 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2r80 h LEU 106 Cb 0.18 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2r80 h LEU 106 CO -0.02 1.05 0.07 0.58 0.09 0.00 0.00 178.44 180.21 2r80 h VAL 107 N 1.06 0.97 -0.74 1.22 2.07 -1.00 -0.58 116.25 119.24 2r80 h VAL 107 Ca 0.22 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.70 2r80 h VAL 107 Cb 0.40 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 2r80 h VAL 107 CO 0.01 0.03 0.48 -0.37 0.02 0.00 0.00 177.57 177.74 2r80 h VAL 108 N 0.17 1.14 -0.76 2.57 -1.51 -1.11 -1.14 116.25 115.61 2r80 h VAL 108 Ca 0.08 -0.33 0.05 0.00 -1.23 0.00 0.00 66.70 65.28 2r80 h VAL 108 Cb 0.04 0.10 -0.06 0.00 -2.13 0.00 0.00 31.29 29.24 2r80 h VAL 108 CO -0.07 0.17 0.45 0.58 -1.23 0.00 0.00 177.57 177.48 2r80 h VAL 109 N 0.95 1.02 -0.57 7.19 2.07 -1.01 -2.41 116.25 123.49 2r80 h VAL 109 Ca 0.29 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2r80 h VAL 109 Cb -0.03 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 2r80 h VAL 109 CO -0.09 0.15 0.14 0.00 0.02 0.00 0.00 177.57 177.79 2r80 h ALA 110 N 1.36 1.18 -0.50 1.67 0.00 -0.60 0.73 119.26 123.11 2r80 h ALA 110 Ca 0.33 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2r80 h ALA 110 Cb 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2r80 h ALA 110 CO -0.16 0.56 0.18 0.28 0.00 0.00 0.00 179.25 180.11 2r80 h VAL 111 N 0.84 1.22 0.00 0.00 2.07 -0.87 -3.26 116.25 116.26 2r80 h VAL 111 Ca 0.18 -0.71 -0.09 0.00 0.82 0.00 0.00 66.70 66.90 2r80 h VAL 111 Cb 0.30 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2r80 h VAL 111 CO -0.00 0.27 -1.98 1.41 0.02 0.00 0.00 177.57 177.28 2r80 n HIS 112 N -4.53 0.12 -3.13 1.57 8.25 -0.94 -4.65 115.22 111.92 2r80 n HIS 112 Ca 0.02 0.04 -0.19 0.00 -0.26 0.00 0.00 57.72 57.32 2r80 n HIS 112 Cb 0.17 -0.67 -0.03 0.00 1.12 0.00 0.00 29.99 30.58 2r80 n HIS 112 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2r80 n PHE 113 N -2.43 0.86 -0.22 4.41 3.01 0.24 -4.97 117.46 118.36 2r80 n PHE 113 Ca -0.10 -3.82 0.02 0.00 1.01 0.00 0.00 57.45 54.55 2r80 n PHE 113 Cb 0.71 -0.43 0.26 0.00 -0.01 0.00 0.00 39.48 40.01 2r80 n PHE 113 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2r80 h PRO 114 N 2.99 0.95 0.00 -1.08 0.13 -1.71 -1.87 132.00 131.41 2r80 h PRO 114 Ca 0.10 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2r80 h PRO 114 Cb 0.90 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2r80 h PRO 114 CO 0.55 0.63 0.00 0.77 -0.23 0.00 0.00 178.00 179.72 2r80 h SER 115 N 0.98 0.00 -0.10 1.44 0.02 -1.93 -3.00 113.55 110.95 2r80 h SER 115 Ca 0.29 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 61.02 2r80 h SER 115 Cb -0.04 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.51 2r80 h SER 115 CO -0.07 0.00 -0.75 0.25 -1.14 0.00 0.00 176.83 175.12 2r80 h LEU 116 N 0.00 0.88 -6.05 5.07 6.46 -1.73 -3.37 115.31 116.57 2r80 h LEU 116 Ca 0.00 -0.57 -0.74 0.00 -0.12 0.00 0.00 57.88 56.46 2r80 h LEU 116 Cb 0.73 -0.26 -0.11 0.00 -0.73 0.00 0.00 40.66 40.29 2r80 h LEU 116 CO 0.00 1.36 2.52 -0.11 -0.62 0.00 0.00 178.44 181.59 2r80 n LEU 117 N -3.93 7.19 -4.67 2.25 7.94 -1.07 -4.78 117.00 119.92 2r80 n LEU 117 Ca -0.07 -4.56 -0.29 0.00 -1.11 0.00 0.00 56.01 49.98 2r80 n LEU 117 Cb 0.73 -1.50 0.17 0.00 0.53 0.00 0.00 43.42 43.35 2r80 n LEU 117 CO 0.52 1.53 0.64 0.42 -1.11 0.00 0.00 177.39 179.39 2r80 s THR 118 N 0.84 2.32 0.24 1.96 -4.23 -1.26 -4.68 115.64 110.83 2r80 s THR 118 Ca 0.47 0.10 -0.06 0.00 -1.18 0.00 0.00 61.69 61.02 2r80 s THR 118 Cb 0.13 -2.53 0.21 0.00 1.34 0.00 0.00 72.50 71.65 2r80 s THR 118 CO -0.04 -0.14 1.86 -0.65 -0.54 0.00 0.00 174.62 175.11 2r80 h PRO 119 N -1.83 0.96 -0.36 3.99 0.11 -1.98 0.13 132.00 133.01 2r80 h PRO 119 Ca -0.53 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.53 2r80 h PRO 119 Cb 1.31 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2r80 h PRO 119 CO 0.55 0.63 0.24 1.49 -0.21 0.00 0.00 178.00 180.70 2r80 h GLU 120 N 0.99 0.48 -0.48 1.05 4.81 -1.97 -0.64 114.58 118.81 2r80 h GLU 120 Ca 0.36 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.45 2r80 h GLU 120 Cb 0.13 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2r80 h GLU 120 CO -0.16 0.31 -0.16 0.28 -0.73 0.00 0.00 179.01 178.55 2r80 h VAL 121 N 0.49 1.27 -0.35 0.32 2.07 -1.74 -1.79 116.25 116.52 2r80 h VAL 121 Ca 0.13 -1.30 0.06 0.00 0.82 0.00 0.00 66.70 66.41 2r80 h VAL 121 Cb -0.05 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 2r80 h VAL 121 CO -0.03 0.45 0.04 -0.74 0.02 0.00 0.00 177.57 177.31 2r80 h HIS 122 N 0.83 0.06 -0.52 1.57 -0.00 -0.58 0.94 115.15 117.45 2r80 h HIS 122 Ca 0.12 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.57 2r80 h HIS 122 Cb 0.71 0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 28.10 2r80 h HIS 122 CO 0.04 -0.02 0.24 0.00 -0.00 0.00 0.00 177.93 178.19 2r80 h ALA 123 N 1.29 0.65 -0.45 5.26 0.00 -0.79 0.11 119.26 125.32 2r80 h ALA 123 Ca 0.17 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2r80 h ALA 123 Cb 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2r80 h ALA 123 CO -0.25 -0.13 -0.11 0.77 0.00 0.00 0.00 179.25 179.53 2r80 h SER 124 N 0.46 0.88 -0.26 0.00 0.02 -0.88 -1.88 113.55 111.89 2r80 h SER 124 Ca 0.24 -0.36 -0.14 0.00 -0.84 0.00 0.00 61.79 60.69 2r80 h SER 124 Cb 0.19 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2r80 h SER 124 CO -0.19 1.04 -0.34 -0.07 -1.14 0.00 0.00 176.83 176.13 2r80 h LEU 125 N 0.71 0.82 -0.28 5.07 3.38 -0.62 -0.80 115.31 123.59 2r80 h LEU 125 Ca 0.11 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2r80 h LEU 125 Cb 0.65 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2r80 h LEU 125 CO 0.04 1.08 0.18 -0.78 0.09 0.00 0.00 178.44 179.06 2r80 h ASP 126 N 0.66 0.32 -0.89 -0.43 3.58 -0.91 -0.56 116.42 118.19 2r80 h ASP 126 Ca 0.07 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.52 2r80 h ASP 126 Cb 0.88 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.80 2r80 h ASP 126 CO 0.08 0.24 0.59 0.11 -2.88 0.00 0.00 179.24 177.38 2r80 h LYS 127 N 0.37 1.17 -0.06 0.28 1.57 -1.03 -1.77 116.57 117.10 2r80 h LYS 127 Ca 0.10 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2r80 h LYS 127 Cb -0.04 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.01 2r80 h LYS 127 CO -0.02 0.77 0.01 0.35 -0.57 0.00 0.00 179.45 179.99 2r80 h PHE 128 N 1.20 0.11 -0.05 -1.35 3.57 -0.68 0.95 116.94 120.69 2r80 h PHE 128 Ca 0.33 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.73 2r80 h PHE 128 Cb -0.13 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 2r80 h PHE 128 CO -0.00 0.31 -0.36 -0.39 -2.23 0.00 0.00 178.31 175.64 2r80 h VAL 129 N -0.12 1.28 -0.25 1.41 -1.51 -0.96 -1.35 116.25 114.75 2r80 h VAL 129 Ca 0.02 -1.32 -0.19 0.00 -1.23 0.00 0.00 66.70 63.98 2r80 h VAL 129 Cb 0.26 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 2r80 h VAL 129 CO 0.00 0.38 -0.60 0.25 -1.23 0.00 0.00 177.57 176.37 2r80 h LEU 130 N 0.08 0.97 -1.07 4.19 7.12 -1.23 -1.64 115.31 123.73 2r80 h LEU 130 Ca 0.01 -0.56 0.01 0.00 0.13 0.00 0.00 57.88 57.47 2r80 h LEU 130 Cb 0.68 -0.28 -0.05 0.00 -0.53 0.00 0.00 40.66 40.49 2r80 h LEU 130 CO 0.05 1.35 0.63 0.00 -0.13 0.00 0.00 178.44 180.34 2r80 h ALA 131 N 0.64 1.33 -0.24 1.25 0.00 -0.24 0.38 119.26 122.39 2r80 h ALA 131 Ca -0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2r80 h ALA 131 Cb 1.22 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2r80 h ALA 131 CO 0.13 0.61 0.01 0.28 0.00 0.00 0.00 179.25 180.29 2r80 h VAL 132 N 1.27 1.25 -0.88 0.00 2.07 -1.18 -1.48 116.25 117.30 2r80 h VAL 132 Ca 0.35 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 67.03 2r80 h VAL 132 Cb -0.13 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 2r80 h VAL 132 CO -0.08 0.27 0.58 1.23 0.02 0.00 0.00 177.57 179.59 2r80 h GLY 133 N 0.20 1.24 0.85 2.17 0.00 -0.87 -0.84 103.07 105.82 2r80 h GLY 133 Ca 0.07 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 2r80 h GLY 133 CO 0.01 0.43 0.03 -0.84 0.00 0.00 0.00 176.54 176.16 2r80 h THR 134 N 1.16 1.23 -0.74 4.70 2.02 -0.84 -2.36 112.91 118.08 2r80 h THR 134 Ca 0.33 -0.79 0.07 0.00 0.77 0.00 0.00 66.41 66.79 2r80 h THR 134 Cb -0.08 1.32 -0.06 0.00 -1.74 0.00 0.00 68.15 67.58 2r80 h THR 134 CO -0.08 0.25 0.42 0.58 0.37 0.00 0.00 175.52 177.06 2r80 h VAL 135 N 0.18 0.95 0.00 3.16 2.07 -0.82 -2.00 116.25 119.79 2r80 h VAL 135 Ca 0.07 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2r80 h VAL 135 Cb 0.34 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2r80 h VAL 135 CO 0.01 0.14 0.00 -0.07 0.02 0.00 0.00 177.57 177.66 2r80 h LEU 136 N 0.75 0.00 -3.09 2.57 3.38 -0.96 -2.89 115.31 115.07 2r80 h LEU 136 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2r80 h LEU 136 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2r80 h LEU 136 CO -0.21 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.67 2r80 n THR 137 N -2.96 1.74 -0.16 0.22 -2.24 -0.91 -3.83 114.28 106.14 2r80 n THR 137 Ca 0.02 -1.61 0.05 0.00 -2.27 0.00 0.00 64.05 60.24 2r80 n THR 137 Cb 0.35 0.03 0.34 0.00 -2.10 0.00 0.00 70.33 68.95 2r80 n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2r80 h ALA 138 N 1.40 1.65 -0.02 6.98 0.00 -1.15 -1.18 119.26 126.94 2r80 h ALA 138 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2r80 h ALA 138 Cb 1.08 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2r80 h ALA 138 CO 0.10 0.27 0.06 0.87 0.00 0.00 0.00 179.25 180.55 2r80 h LYS 139 N 0.78 0.00 0.00 0.00 1.57 -1.87 -2.00 116.57 115.06 2r80 h LYS 139 Ca 0.28 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 2r80 h LYS 139 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2r80 h LYS 139 CO -0.08 0.00 -0.32 1.88 -0.57 0.00 0.00 179.45 180.36 2r80 h TYR 140 N 0.00 0.00 0.00 -1.35 0.99 -1.61 -3.51 116.97 111.49 2r80 h TYR 140 Ca 0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.74 2r80 h TYR 140 Cb 0.13 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.86 2r80 h TYR 140 CO 0.00 0.32 0.00 0.54 -0.00 0.00 0.00 178.16 179.02