#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r1q h GLY 3 N 0.00 -0.14 -2.21 0.00 0.00 -1.98 -2.97 103.07 95.77 2r1q h GLY 3 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2r1q h GLY 3 CO 0.00 -0.05 0.00 0.69 0.00 0.00 0.00 176.54 177.18 2r1q n PHE 4 N -5.13 0.85 0.01 5.60 3.72 -1.26 -4.75 117.46 116.50 2r1q n PHE 4 Ca -0.08 -0.52 -0.12 0.00 -0.05 0.00 0.00 57.45 56.68 2r1q n PHE 4 Cb 0.10 -0.04 -0.07 0.00 -0.94 0.00 0.00 39.48 38.53 2r1q n PHE 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2r1q h GLU 6 N -0.04 0.78 0.00 0.00 4.22 -1.86 -1.57 114.58 116.10 2r1q h GLU 6 Ca 0.02 -0.28 -0.12 0.00 0.08 0.00 0.00 59.36 59.05 2r1q h GLU 6 Cb 0.12 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2r1q h GLU 6 CO -0.00 0.89 -0.59 -0.24 -2.18 0.00 0.00 179.01 176.89 2r1q h VAL 7 N 0.69 1.35 0.65 0.32 3.04 -1.89 -1.43 116.25 118.98 2r1q h VAL 7 Ca 0.11 -2.08 -0.03 0.00 -1.01 0.00 0.00 66.70 63.69 2r1q h VAL 7 Cb 0.66 2.14 0.01 0.00 -2.01 0.00 0.00 31.29 32.08 2r1q h VAL 7 CO 0.05 0.58 -0.31 0.00 -1.01 0.00 0.00 177.57 176.87 2r1q h LYS 9 N -0.99 0.44 -0.09 0.00 1.57 -1.27 0.11 116.57 116.34 2r1q h LYS 9 Ca -0.09 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 2r1q h LYS 9 Cb 0.67 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2r1q h LYS 9 CO 0.15 0.29 -0.08 0.87 -0.57 0.00 0.00 179.45 180.11 2r1q h LYS 10 N 0.45 0.22 -0.34 3.15 1.57 -1.06 0.17 116.57 120.74 2r1q h LYS 10 Ca 0.66 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 59.24 2r1q h LYS 10 Cb 1.47 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.77 2r1q h LYS 10 CO -0.46 0.63 -0.14 1.25 -0.57 0.00 0.00 179.45 180.16 2r1q h LEU 11 N -0.20 0.70 -1.02 2.94 5.85 0.46 -2.36 115.31 121.68 2r1q h LEU 11 Ca 0.02 -0.39 -0.10 0.00 0.84 0.00 0.00 57.88 58.24 2r1q h LEU 11 Cb 0.59 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2r1q h LEU 11 CO 0.02 0.94 -0.48 0.58 -0.34 0.00 0.00 178.44 179.16 2r1q h VAL 12 N 0.46 1.35 -0.33 1.05 2.07 -0.89 -2.74 116.25 117.22 2r1q h VAL 12 Ca 0.08 -1.66 0.03 0.00 0.82 0.00 0.00 66.70 65.97 2r1q h VAL 12 Cb 0.66 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 2r1q h VAL 12 CO 0.04 0.47 0.14 1.23 0.02 0.00 0.00 177.57 179.48 2r1q h GLY 13 N 1.44 0.43 1.40 2.17 0.00 -0.38 -1.68 103.07 106.45 2r1q h GLY 13 Ca -0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 47.33 47.12 2r1q h GLY 13 CO 0.06 0.06 -0.25 -1.82 0.00 0.00 0.00 176.54 174.59 2r1q h TYR 14 N 0.30 0.78 0.77 5.60 5.03 -1.30 -2.25 116.97 125.90 2r1q h TYR 14 Ca 0.14 -0.18 -0.04 0.00 2.58 0.00 0.00 58.73 61.24 2r1q h TYR 14 Cb 0.09 -0.18 0.01 0.00 1.55 0.00 0.00 36.73 38.19 2r1q h TYR 14 CO -0.12 0.87 -0.38 -0.07 -1.32 0.00 0.00 178.16 177.14 2r1q h LEU 15 N 0.59 -0.91 -0.94 2.82 3.38 -1.25 -1.04 115.31 117.97 2r1q h LEU 15 Ca 0.08 0.03 0.32 0.00 0.09 0.00 0.00 57.88 58.41 2r1q h LEU 15 Cb 0.74 0.24 -0.17 0.00 0.09 0.00 0.00 40.66 41.56 2r1q h LEU 15 CO 0.06 -0.64 0.25 -0.67 0.09 0.00 0.00 178.44 177.53 2r1q n ASP 16 N -4.86 0.09 0.21 -0.43 2.03 -0.65 -0.40 116.55 112.54 2r1q n ASP 16 Ca -0.13 1.58 0.11 0.00 0.52 0.00 0.00 54.79 56.87 2r1q n ASP 16 Cb 0.42 -0.66 0.15 0.00 -0.72 0.00 0.00 41.12 40.30 2r1q n ASP 16 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2r1q h ARG 17 N 0.00 0.00 0.00 -0.67 2.43 -1.02 -3.34 114.38 111.78 2r1q h ARG 17 Ca 0.68 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.85 2r1q h ARG 17 Cb 1.61 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.16 2r1q h ARG 17 CO -0.81 0.04 0.00 0.09 -1.51 0.00 0.00 179.97 177.78 2r1q n ASN 18 N -3.08 0.97 -4.18 -3.80 5.03 -0.11 -5.04 115.26 105.05 2r1q n ASN 18 Ca 0.04 -1.17 -0.24 0.00 0.87 0.00 0.00 54.58 54.07 2r1q n ASN 18 Cb 0.55 0.00 -0.15 0.00 -1.02 0.00 0.00 39.78 39.16 2r1q n ASN 18 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2r1q s LEU 19 N -0.17 2.09 0.29 3.41 2.96 0.46 -5.04 118.68 122.68 2r1q s LEU 19 Ca 0.00 -0.39 -0.22 0.00 -0.22 0.00 0.00 54.13 53.31 2r1q s LEU 19 Cb 0.00 -0.88 -0.09 0.00 0.50 0.00 0.00 46.19 45.72 2r1q s LEU 19 CO 0.00 0.18 0.83 -1.61 -1.32 0.00 0.00 176.35 174.43 2r1q s GLU 20 N -0.70 4.35 0.00 1.98 0.41 -1.26 -4.74 118.70 118.75 2r1q s GLU 20 Ca 0.06 1.05 0.01 0.00 -0.41 0.00 0.00 54.97 55.68 2r1q s GLU 20 Cb -0.07 -2.74 0.04 0.00 -1.78 0.00 0.00 34.13 29.58 2r1q s GLU 20 CO 0.00 0.28 0.22 1.63 -0.49 0.00 0.00 175.26 176.90 2r1q n LYS 21 N 0.42 0.12 -0.09 1.61 4.76 -1.26 -1.95 118.16 121.77 2r1q n LYS 21 Ca 0.01 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.47 2r1q n LYS 21 Cb 0.51 -1.09 0.03 0.00 -1.84 0.00 0.00 35.03 32.65 2r1q n LYS 21 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2r1q n ASN 22 N -0.59 1.30 -4.62 4.39 3.02 -1.26 -4.95 115.26 112.55 2r1q n ASN 22 Ca 0.00 -2.00 -0.37 0.00 -0.03 0.00 0.00 54.58 52.18 2r1q n ASN 22 Cb 0.00 -0.13 0.06 0.00 -0.61 0.00 0.00 39.78 39.11 2r1q n ASN 22 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2r1q n SER 23 N -0.52 0.74 -4.87 6.41 7.64 -0.82 -4.99 113.62 117.22 2r1q n SER 23 Ca 0.04 0.77 -0.31 0.00 1.01 0.00 0.00 58.87 60.37 2r1q n SER 23 Cb 0.46 -1.40 -0.02 0.00 -1.01 0.00 0.00 64.21 62.24 2r1q n SER 23 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2r1q s THR 24 N -1.58 4.71 0.29 0.44 -4.23 -1.26 -4.90 115.64 109.11 2r1q s THR 24 Ca 0.76 0.80 0.12 0.00 -1.18 0.00 0.00 61.69 62.20 2r1q s THR 24 Cb -0.39 -3.76 0.31 0.00 1.34 0.00 0.00 72.50 70.00 2r1q s THR 24 CO 0.47 -0.68 1.32 0.29 -0.54 0.00 0.00 174.62 175.48 2r1q n LYS 25 N -1.65 -0.06 0.21 3.99 4.01 -1.26 -0.06 118.16 123.34 2r1q n LYS 25 Ca 0.04 1.19 0.08 0.00 -0.51 0.00 0.00 58.31 59.11 2r1q n LYS 25 Cb 0.54 -2.04 0.41 0.00 -0.51 0.00 0.00 35.03 33.42 2r1q n LYS 25 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 2r1q h GLN 26 N 0.00 0.00 0.00 1.97 7.50 -1.99 -0.99 115.11 121.60 2r1q h GLN 26 Ca 0.64 0.00 -0.23 0.00 0.50 0.00 0.00 58.65 59.56 2r1q h GLN 26 Cb 1.59 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 29.08 2r1q h GLN 26 CO -0.69 0.28 -1.43 0.93 -1.50 0.00 0.00 178.83 176.42 2r1q h GLU 27 N 0.00 0.00 -0.09 1.46 5.08 -0.84 -3.04 114.58 117.15 2r1q h GLU 27 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 2r1q h GLU 27 Cb 0.80 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 2r1q h GLU 27 CO 0.04 0.53 -0.75 0.82 -1.00 0.00 0.00 179.01 178.64 2r1q h ILE 28 N 0.00 1.35 0.77 3.13 2.04 -1.25 -2.07 117.51 121.49 2r1q h ILE 28 Ca -0.19 -2.11 -0.03 0.00 1.00 0.00 0.00 64.86 63.53 2r1q h ILE 28 Cb 1.82 2.09 -0.00 0.00 -0.74 0.00 0.00 36.82 39.99 2r1q h ILE 28 CO 0.08 0.64 -0.46 0.25 0.00 0.00 0.00 178.15 178.66 2r1q h LEU 29 N 0.34 -1.15 -0.54 1.44 5.85 -1.29 0.11 115.31 120.07 2r1q h LEU 29 Ca -0.04 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.85 2r1q h LEU 29 Cb 1.34 0.33 -0.10 0.00 0.37 0.00 0.00 40.66 42.60 2r1q h LEU 29 CO 0.14 -0.72 -0.16 0.00 -0.34 0.00 0.00 178.44 177.36 2r1q h ALA 30 N -1.26 0.31 0.03 1.25 0.00 -1.61 0.53 119.26 118.51 2r1q h ALA 30 Ca -0.10 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2r1q h ALA 30 Cb 0.92 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2r1q h ALA 30 CO 0.12 -0.46 -0.04 0.00 0.00 0.00 0.00 179.25 178.86 2r1q h ALA 31 N 1.48 -0.07 -0.95 0.00 0.00 -1.29 -2.31 119.26 116.12 2r1q h ALA 31 Ca 0.26 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.26 2r1q h ALA 31 Cb 0.42 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 2r1q h ALA 31 CO -0.57 -0.55 0.58 -0.07 0.00 0.00 0.00 179.25 178.64 2r1q h LEU 32 N -0.09 0.87 -0.08 0.00 3.38 -0.02 0.70 115.31 120.06 2r1q h LEU 32 Ca 0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2r1q h LEU 32 Cb 0.10 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2r1q h LEU 32 CO -0.03 0.49 0.00 -0.62 0.09 0.00 0.00 178.44 178.38 2r1q n GLU 33 N -4.64 1.06 0.00 1.13 1.02 0.11 -2.80 120.64 116.52 2r1q n GLU 33 Ca 0.16 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2r1q n GLU 33 Cb 0.29 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 2r1q n GLU 33 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2r1q n LYS 34 N -0.88 3.09 0.26 3.49 4.76 -0.37 -4.83 118.16 123.67 2r1q n LYS 34 Ca 0.23 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.75 2r1q n LYS 34 Cb 0.13 -0.78 0.67 0.00 -1.84 0.00 0.00 35.03 33.21 2r1q n LYS 34 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2r1q h GLY 35 N 0.00 0.00 1.94 0.72 0.00 0.52 -3.10 103.07 103.14 2r1q h GLY 35 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 2r1q h GLY 35 CO 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 176.54 175.84 2r1q n SER 37 N -3.74 0.00 -0.05 0.00 3.41 -1.17 -2.53 113.62 109.54 2r1q n SER 37 Ca -0.01 -0.19 0.09 0.00 -0.26 0.00 0.00 58.87 58.50 2r1q n SER 37 Cb 0.68 -0.18 -0.09 0.00 -0.26 0.00 0.00 64.21 64.35 2r1q n SER 37 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2r1q n PHE 38 N -1.18 0.00 -2.65 7.33 3.72 -1.11 -4.93 117.46 118.64 2r1q n PHE 38 Ca 0.10 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.20 2r1q n PHE 38 Cb 0.11 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 2r1q n PHE 38 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2r1q s LEU 39 N -2.81 3.72 0.63 4.37 1.02 -1.05 -5.00 118.68 119.56 2r1q s LEU 39 Ca 0.08 1.27 -0.17 0.00 0.02 0.00 0.00 54.13 55.33 2r1q s LEU 39 Cb 0.14 -4.18 -0.09 0.00 0.02 0.00 0.00 46.19 42.08 2r1q s LEU 39 CO 0.73 -0.49 0.31 -2.65 0.02 0.00 0.00 176.35 174.27 2r1q n PRO 40 N -1.52 0.30 -0.32 1.29 -0.02 -1.26 -4.72 135.00 128.75 2r1q n PRO 40 Ca 0.04 0.13 0.04 0.00 -2.02 0.00 0.00 63.50 61.69 2r1q n PRO 40 Cb 0.54 -1.56 0.12 0.00 -0.02 0.00 0.00 33.50 32.58 2r1q n PRO 40 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2r1q h ASP 41 N -0.10 -0.85 -0.57 2.55 5.19 -1.95 -2.05 116.42 118.64 2r1q h ASP 41 Ca -0.44 0.27 0.17 0.00 -0.62 0.00 0.00 57.03 56.40 2r1q h ASP 41 Cb 1.39 0.56 -0.02 0.00 0.18 0.00 0.00 39.33 41.44 2r1q h ASP 41 CO 0.43 -0.30 0.43 -0.65 -3.12 0.00 0.00 179.24 176.03 2r1q h PRO 42 N -0.00 0.00 0.00 3.56 0.11 -2.01 -2.57 132.00 131.09 2r1q h PRO 42 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 2r1q h PRO 42 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2r1q h PRO 42 CO -0.93 0.00 -0.77 0.66 -0.21 0.00 0.00 178.00 176.75 2r1q n TYR 43 N -4.29 0.22 0.17 0.65 4.02 -0.77 -4.65 117.16 112.50 2r1q n TYR 43 Ca 0.11 0.06 -0.15 0.00 -0.01 0.00 0.00 57.90 57.91 2r1q n TYR 43 Cb 0.66 -0.39 -0.08 0.00 -0.02 0.00 0.00 39.34 39.51 2r1q n TYR 43 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 2r1q h GLN 44 N 0.00 -0.71 -0.21 -0.72 4.15 -1.49 0.11 115.11 116.24 2r1q h GLN 44 Ca 0.00 0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 2r1q h GLN 44 Cb 0.64 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 2r1q h GLN 44 CO 0.00 -0.47 0.03 0.87 -1.93 0.00 0.00 178.83 177.33 2r1q h LYS 45 N -0.74 0.30 -0.44 1.69 1.79 -1.82 -0.79 116.57 116.56 2r1q h LYS 45 Ca -0.03 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.30 2r1q h LYS 45 Cb 0.69 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 2r1q h LYS 45 CO -0.16 0.30 -0.12 0.37 -1.08 0.00 0.00 179.45 178.77 2r1q h GLN 46 N 0.30 0.85 0.40 3.15 4.15 -1.75 -3.08 115.11 119.13 2r1q h GLN 46 Ca 0.07 -0.33 -0.02 0.00 0.77 0.00 0.00 58.65 59.14 2r1q h GLN 46 Cb 0.15 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.80 2r1q h GLN 46 CO -0.00 0.97 -0.19 0.00 -1.93 0.00 0.00 178.83 177.68 2r1q n ASP 48 N -5.28 0.00 0.05 0.00 5.68 -0.70 -0.20 116.55 116.10 2r1q n ASP 48 Ca -0.11 -0.18 -0.22 0.00 -0.50 0.00 0.00 54.79 53.78 2r1q n ASP 48 Cb 0.25 -0.23 -0.14 0.00 -1.14 0.00 0.00 41.12 39.86 2r1q n ASP 48 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2r1q h GLN 49 N 0.00 0.33 -0.36 0.11 4.15 -1.40 -2.92 115.11 115.02 2r1q h GLN 49 Ca 0.00 -0.56 0.02 0.00 0.77 0.00 0.00 58.65 58.88 2r1q h GLN 49 Cb 0.17 0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 2r1q h GLN 49 CO 0.00 1.27 0.20 0.35 -1.93 0.00 0.00 178.83 178.72 2r1q h PHE 50 N -0.10 0.37 -0.80 3.99 3.57 0.58 -2.39 116.94 122.16 2r1q h PHE 50 Ca -0.31 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.21 2r1q h PHE 50 Cb 1.93 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 40.51 2r1q h PHE 50 CO 0.12 0.21 0.52 0.28 -2.23 0.00 0.00 178.31 177.21 2r1q h VAL 51 N 0.40 1.18 0.00 1.41 2.07 -0.71 -2.25 116.25 118.34 2r1q h VAL 51 Ca 0.14 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 2r1q h VAL 51 Cb 0.03 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 2r1q h VAL 51 CO -0.08 0.19 -0.28 0.00 0.02 0.00 0.00 177.57 177.43 2r1q h ALA 52 N 1.30 1.46 -0.19 1.67 0.00 -1.34 -1.44 119.26 120.73 2r1q h ALA 52 Ca 0.30 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2r1q h ALA 52 Cb -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2r1q h ALA 52 CO -0.08 0.34 0.00 0.39 0.00 0.00 0.00 179.25 179.91 2r1q n GLU 53 N -4.08 1.57 0.00 0.00 4.71 -0.85 -4.93 120.64 117.06 2r1q n GLU 53 Ca -0.02 -0.74 0.00 0.00 -0.01 0.00 0.00 57.16 56.39 2r1q n GLU 53 Cb 0.33 -1.26 0.00 0.00 -1.01 0.00 0.00 31.44 29.50 2r1q n GLU 53 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 2r1q n GLU 55 N 0.10 0.00 -0.08 3.49 0.28 -0.54 -4.94 120.64 118.94 2r1q n GLU 55 Ca 0.07 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.00 2r1q n GLU 55 Cb 0.23 -0.08 -0.00 0.00 1.43 0.00 0.00 31.44 33.02 2r1q n GLU 55 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 2r1q h PRO 56 N 0.23 -0.04 0.01 3.44 0.11 -1.92 -0.52 132.00 133.31 2r1q h PRO 56 Ca 0.00 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.90 2r1q h PRO 56 Cb 0.00 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2r1q h PRO 56 CO 0.00 -0.03 -0.92 -0.39 -0.21 0.00 0.00 178.00 176.45 2r1q h VAL 57 N -0.04 1.46 0.11 3.15 -1.51 -1.98 -1.95 116.25 115.49 2r1q h VAL 57 Ca 0.15 -2.58 0.02 0.00 -1.23 0.00 0.00 66.70 63.06 2r1q h VAL 57 Cb 0.28 2.48 -0.04 0.00 -2.13 0.00 0.00 31.29 31.87 2r1q h VAL 57 CO -0.34 0.76 -0.33 -0.07 -1.23 0.00 0.00 177.57 176.35 2r1q h LEU 58 N 0.15 -0.97 -0.40 4.19 3.38 -1.96 -0.52 115.31 119.18 2r1q h LEU 58 Ca -0.06 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2r1q h LEU 58 Cb 1.56 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 42.65 2r1q h LEU 58 CO 0.15 -0.42 0.20 0.40 0.09 0.00 0.00 178.44 178.86 2r1q h ILE 59 N -0.55 0.97 -0.94 1.22 2.04 -1.09 0.89 117.51 120.05 2r1q h ILE 59 Ca 0.03 -0.14 0.13 0.00 1.00 0.00 0.00 64.86 65.88 2r1q h ILE 59 Cb 0.59 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 37.13 2r1q h ILE 59 CO -0.20 0.07 0.60 -0.08 0.00 0.00 0.00 178.15 178.54 2r1q h GLU 60 N 0.40 0.83 0.09 2.37 4.81 -1.11 -3.11 114.58 118.87 2r1q h GLU 60 Ca 0.17 -0.05 -0.34 0.00 -0.13 0.00 0.00 59.36 59.01 2r1q h GLU 60 Cb 0.08 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2r1q h GLU 60 CO -0.12 0.55 -1.90 0.97 -0.73 0.00 0.00 179.01 177.78 2r1q h ILE 61 N 0.85 0.71 0.00 2.32 2.10 -0.49 -3.38 117.51 119.62 2r1q h ILE 61 Ca 0.46 -2.46 0.00 0.00 1.08 0.00 0.00 64.86 63.95 2r1q h ILE 61 Cb 0.57 2.50 0.00 0.00 -1.09 0.00 0.00 36.82 38.80 2r1q h ILE 61 CO -0.23 0.79 0.00 0.18 -1.08 0.00 0.00 178.15 177.81 2r1q n LEU 62 N -3.37 0.00 0.20 2.19 4.77 0.25 -0.44 117.00 120.61 2r1q n LEU 62 Ca -0.27 0.50 0.09 0.00 -0.03 0.00 0.00 56.01 56.29 2r1q n LEU 62 Cb 1.05 -0.50 0.34 0.00 -2.33 0.00 0.00 43.42 41.98 2r1q n LEU 62 CO 0.44 -0.23 0.73 -0.37 -1.33 0.00 0.00 177.39 176.64 2r1q h VAL 63 N 0.00 0.56 0.00 4.08 -1.51 -1.73 -3.37 116.25 114.29 2r1q h VAL 63 Ca 0.00 -1.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.12 2r1q h VAL 63 Cb 0.27 1.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 2r1q h VAL 63 CO 0.00 0.26 -0.40 -0.33 -1.23 0.00 0.00 177.57 175.87 2r1q h GLU 64 N 0.00 0.00 -4.34 5.19 5.08 -0.99 -3.48 114.58 116.04 2r1q h GLU 64 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.09 2r1q h GLU 64 Cb 0.91 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.93 2r1q h GLU 64 CO 0.03 0.00 -0.73 0.54 -1.00 0.00 0.00 179.01 177.85 2r1q s VAL 65 N -2.02 0.40 0.00 3.13 0.11 -0.73 -5.05 120.40 116.24 2r1q s VAL 65 Ca -0.12 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.15 2r1q s VAL 65 Cb 0.02 -0.45 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 2r1q s VAL 65 CO 0.17 -0.27 0.84 0.23 -3.33 0.00 0.00 175.10 172.74 2r1q n MET 66 N 1.93 1.83 -1.70 1.54 2.81 -1.26 -4.01 117.12 118.25 2r1q n MET 66 Ca -0.20 -1.19 -0.43 0.00 -1.81 0.00 0.00 57.70 54.08 2r1q n MET 66 Cb 0.56 -0.98 -0.03 0.00 -0.71 0.00 0.00 33.22 32.06 2r1q n MET 66 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2r1q s ASP 67 N -0.70 6.00 0.17 7.83 -1.08 -1.26 -4.56 116.67 123.08 2r1q s ASP 67 Ca 0.00 2.19 -0.11 0.00 -0.52 0.00 0.00 52.55 54.10 2r1q s ASP 67 Cb 0.00 -2.52 0.08 0.00 -1.46 0.00 0.00 42.92 39.02 2r1q s ASP 67 CO 0.00 -1.48 1.72 1.55 0.52 0.00 0.00 175.17 177.48 2r1q h PRO 68 N 12.57 0.92 -0.45 4.34 0.13 -1.90 0.20 132.00 147.81 2r1q h PRO 68 Ca -0.44 -0.18 0.05 0.00 -0.87 0.00 0.00 66.00 64.56 2r1q h PRO 68 Cb 1.23 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.17 2r1q h PRO 68 CO 0.96 0.80 0.19 1.03 -0.23 0.00 0.00 178.00 180.75 2r1q h SER 69 N 0.85 0.24 0.26 1.44 0.87 -1.89 -2.21 113.55 113.11 2r1q h SER 69 Ca 0.20 0.04 -0.28 0.00 -1.23 0.00 0.00 61.79 60.52 2r1q h SER 69 Cb 0.24 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2r1q h SER 69 CO -0.01 0.17 -1.17 0.15 -0.53 0.00 0.00 176.83 175.44 2r1q h PHE 70 N 0.38 0.84 -0.59 2.24 3.57 -1.86 -3.16 116.94 118.36 2r1q h PHE 70 Ca 0.21 -0.52 -0.00 0.00 3.53 0.00 0.00 57.97 61.18 2r1q h PHE 70 Cb 0.16 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2r1q h PHE 70 CO -0.13 1.37 0.36 0.28 -2.23 0.00 0.00 178.31 177.96 2r1q h VAL 71 N 0.24 1.18 -0.22 1.41 2.07 -0.45 -1.19 116.25 119.28 2r1q h VAL 71 Ca -0.15 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 2r1q h VAL 71 Cb 1.85 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2r1q h VAL 71 CO 0.22 0.18 -0.14 0.00 0.02 0.00 0.00 177.57 177.84 2r1q h LEU 73 N 0.35 -0.82 -1.49 0.00 5.85 -1.40 -0.13 115.31 117.67 2r1q h LEU 73 Ca 0.07 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.88 2r1q h LEU 73 Cb 0.46 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 2r1q h LEU 73 CO 0.03 -0.48 0.46 0.50 -0.34 0.00 0.00 178.44 178.60 2r1q h LYS 74 N -1.16 0.57 0.00 1.25 3.64 -1.10 -1.66 116.57 118.11 2r1q h LYS 74 Ca -0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2r1q h LYS 74 Cb 0.77 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2r1q h LYS 74 CO 0.16 0.37 -0.19 -0.84 -2.27 0.00 0.00 179.45 176.69 2r1q h ILE 75 N 0.58 0.00 0.00 2.00 3.07 -1.44 -3.47 117.51 118.25 2r1q h ILE 75 Ca 0.32 -0.51 0.00 0.00 1.55 0.00 0.00 64.86 66.22 2r1q h ILE 75 Cb 0.46 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.40 2r1q h ILE 75 CO -0.11 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.60 2r1q n GLY 76 N 1.31 0.71 0.19 0.16 0.00 -0.62 -4.98 105.19 101.95 2r1q n GLY 76 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 2r1q n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r1q h ALA 77 N 0.00 0.59 -2.75 4.61 0.00 -1.24 -3.38 119.26 117.09 2r1q h ALA 77 Ca 0.00 -0.59 -0.72 0.00 0.00 0.00 0.00 54.91 53.60 2r1q h ALA 77 Cb 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 17.79 17.43 2r1q h ALA 77 CO 0.00 0.74 -0.40 0.00 0.00 0.00 0.00 179.25 179.59