#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0l n ASP 3 N 0.00 -1.61 -0.13 6.55 8.00 -1.26 -4.88 116.55 123.22 3h0l n ASP 3 Ca 0.00 0.34 -0.10 0.00 0.71 0.00 0.00 54.79 55.74 3h0l n ASP 3 Cb 0.00 -1.26 -0.01 0.00 -0.02 0.00 0.00 41.12 39.83 3h0l n ASP 3 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3h0l h ARG 4 N -1.64 0.63 -0.73 -1.24 2.43 -2.00 -2.93 114.38 108.90 3h0l h ARG 4 Ca -0.43 -0.16 0.16 0.00 -0.81 0.00 0.00 59.98 58.73 3h0l h ARG 4 Cb 1.28 -0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 30.64 3h0l h ARG 4 CO 0.36 0.68 0.15 1.49 -1.51 0.00 0.00 179.97 181.14 3h0l h GLU 5 N 0.48 0.24 0.44 0.20 4.81 -1.99 -1.39 114.58 117.36 3h0l h GLU 5 Ca 0.12 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3h0l h GLU 5 Cb 0.35 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3h0l h GLU 5 CO 0.01 0.16 -0.21 2.35 -0.73 0.00 0.00 179.01 180.58 3h0l h TRP 6 N 0.24 -0.55 -0.61 0.92 7.01 -1.90 -1.74 115.95 119.33 3h0l h TRP 6 Ca 0.41 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.50 3h0l h TRP 6 Cb 0.71 0.18 -0.08 0.00 -2.10 0.00 0.00 29.16 27.87 3h0l h TRP 6 CO -0.28 -0.30 0.18 0.28 -2.79 0.00 0.00 178.44 175.54 3h0l h VAL 7 N -0.68 0.70 -0.50 2.65 2.07 -1.29 -0.35 116.25 118.85 3h0l h VAL 7 Ca -0.06 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 3h0l h VAL 7 Cb 0.50 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3h0l h VAL 7 CO 0.10 0.06 -0.02 -0.07 0.02 0.00 0.00 177.57 177.66 3h0l h LEU 8 N 0.34 0.82 -0.16 2.57 3.38 -1.21 -1.42 115.31 119.63 3h0l h LEU 8 Ca 0.32 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3h0l h LEU 8 Cb 0.44 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3h0l h LEU 8 CO -0.36 0.90 -0.06 0.50 0.09 0.00 0.00 178.44 179.51 3h0l h LYS 9 N 0.78 0.32 -0.46 1.13 3.64 -0.41 -2.04 116.57 119.54 3h0l h LYS 9 Ca 0.15 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 3h0l h LYS 9 Cb 0.51 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 3h0l h LYS 9 CO 0.03 0.62 0.06 0.82 -2.27 0.00 0.00 179.45 178.71 3h0l h ILE 10 N 0.01 1.25 -0.23 2.00 1.08 -1.06 -2.62 117.51 117.95 3h0l h ILE 10 Ca 0.04 -0.94 -0.06 0.00 -0.39 0.00 0.00 64.86 63.51 3h0l h ILE 10 Cb 0.52 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 3h0l h ILE 10 CO 0.02 0.33 -0.12 0.00 -0.69 0.00 0.00 178.15 177.69 3h0l h ALA 11 N 0.95 1.37 -0.16 1.87 0.00 -1.26 -2.02 119.26 120.01 3h0l h ALA 11 Ca 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3h0l h ALA 11 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3h0l h ALA 11 CO 0.01 0.43 0.05 -0.22 0.00 0.00 0.00 179.25 179.52 3h0l h LYS 12 N 0.35 0.25 -0.74 0.00 3.64 -1.13 0.21 116.57 119.14 3h0l h LYS 12 Ca 0.07 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3h0l h LYS 12 Cb 0.43 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 3h0l h LYS 12 CO 0.02 0.37 0.48 -0.07 -2.27 0.00 0.00 179.45 177.99 3h0l h LEU 13 N 0.07 0.67 -0.66 5.20 3.38 -1.07 -1.15 115.31 121.76 3h0l h LEU 13 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3h0l h LEU 13 Cb 0.23 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3h0l h LEU 13 CO -0.00 0.43 -0.12 0.00 0.09 0.00 0.00 178.44 178.84 3h0l n ALA 14 N -2.45 2.82 -3.62 1.53 0.00 -0.81 -4.96 120.51 113.03 3h0l n ALA 14 Ca 0.11 -0.40 -0.22 0.00 0.00 0.00 0.00 53.44 52.92 3h0l n ALA 14 Cb 0.23 -1.18 0.04 0.00 0.00 0.00 0.00 19.45 18.55 3h0l n ALA 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h0l n ARG 15 N -0.32 -3.98 -3.99 0.00 5.12 0.10 -5.01 116.66 108.58 3h0l n ARG 15 Ca 0.16 0.64 -0.34 0.00 -1.93 0.00 0.00 57.85 56.37 3h0l n ARG 15 Cb 0.34 -5.12 -0.15 0.00 -1.16 0.00 0.00 32.46 26.37 3h0l n ARG 15 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3h0l s LEU 16 N -6.44 2.61 -0.89 0.55 1.43 0.50 -5.03 118.68 111.41 3h0l s LEU 16 Ca 0.15 -0.50 -0.19 0.00 -1.03 0.00 0.00 54.13 52.56 3h0l s LEU 16 Cb -0.04 -1.64 0.12 0.00 0.03 0.00 0.00 46.19 44.67 3h0l s LEU 16 CO 0.81 -0.01 1.09 -0.70 0.23 0.00 0.00 176.35 177.76 3h0l s GLU 17 N 1.40 3.53 0.27 1.70 2.12 -1.26 -4.36 118.70 122.11 3h0l s GLU 17 Ca 0.05 -1.66 -0.29 0.00 0.36 0.00 0.00 54.97 53.43 3h0l s GLU 17 Cb -0.14 -4.81 -0.10 0.00 0.26 0.00 0.00 34.13 29.34 3h0l s GLU 17 CO -0.07 -1.76 1.24 -0.51 -0.54 0.00 0.00 175.26 173.62 3h0l s LEU 18 N 2.79 4.46 0.50 2.70 1.43 -1.26 -5.02 118.68 124.29 3h0l s LEU 18 Ca 0.31 2.47 -0.18 0.00 -1.03 0.00 0.00 54.13 55.69 3h0l s LEU 18 Cb -0.07 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.44 3h0l s LEU 18 CO -0.07 -0.41 1.00 -0.54 0.23 0.00 0.00 176.35 176.56 3h0l s LYS 19 N -1.17 3.89 0.41 1.70 1.02 -1.26 -4.87 119.74 119.46 3h0l s LYS 19 Ca 0.50 1.10 0.12 0.00 0.02 0.00 0.00 55.97 57.71 3h0l s LYS 19 Cb -0.36 -2.12 0.96 0.00 -0.52 0.00 0.00 37.83 35.78 3h0l s LYS 19 CO 0.45 -0.33 1.95 1.49 -0.92 0.00 0.00 175.35 177.99 3h0l h GLU 20 N 1.17 0.49 -0.83 1.68 4.57 -2.01 0.50 114.58 120.15 3h0l h GLU 20 Ca -0.48 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 57.70 3h0l h GLU 20 Cb 1.19 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.63 3h0l h GLU 20 CO 0.60 0.32 0.54 0.93 -1.18 0.00 0.00 179.01 180.22 3h0l h GLU 21 N 0.50 1.02 -0.18 1.92 3.07 -2.02 -3.19 114.58 115.72 3h0l h GLU 21 Ca 0.32 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 59.01 3h0l h GLU 21 Cb 0.56 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3h0l h GLU 21 CO -0.10 0.68 -0.29 0.93 -1.40 0.00 0.00 179.01 178.82 3h0l h GLU 22 N 1.05 0.51 -0.83 2.33 5.08 -1.29 -2.82 114.58 118.62 3h0l h GLU 22 Ca 0.33 -0.31 0.20 0.00 -1.00 0.00 0.00 59.36 58.57 3h0l h GLU 22 Cb -0.02 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 29.14 3h0l h GLU 22 CO -0.11 0.91 0.25 0.82 -1.00 0.00 0.00 179.01 179.89 3h0l h ILE 23 N 0.16 0.43 -0.08 3.13 2.04 -1.44 0.35 117.51 122.10 3h0l h ILE 23 Ca 0.01 -0.10 -0.16 0.00 1.00 0.00 0.00 64.86 65.62 3h0l h ILE 23 Cb 0.88 0.13 0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3h0l h ILE 23 CO 0.07 0.05 -0.58 -0.08 0.00 0.00 0.00 178.15 177.61 3h0l h GLU 24 N 0.28 0.54 -0.27 2.37 4.81 -1.54 -2.59 114.58 118.18 3h0l h GLU 24 Ca 0.50 -0.47 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3h0l h GLU 24 Cb 0.94 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 3h0l h GLU 24 CO -0.57 1.10 0.04 0.28 -0.73 0.00 0.00 179.01 179.13 3h0l h VAL 25 N 0.13 1.23 0.00 0.32 2.07 -1.16 -2.82 116.25 116.03 3h0l h VAL 25 Ca -0.05 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.68 3h0l h VAL 25 Cb 1.23 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 3h0l h VAL 25 CO 0.12 0.26 0.00 -0.26 0.02 0.00 0.00 177.57 177.70 3h0l h PHE 26 N 0.26 0.00 -0.09 1.57 0.04 -0.38 -1.40 116.94 116.94 3h0l h PHE 26 Ca 0.08 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 3h0l h PHE 26 Cb 0.34 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 3h0l h PHE 26 CO 0.02 0.00 -0.01 1.96 -0.60 0.00 0.00 178.31 179.68 3h0l h GLN 27 N 0.00 0.17 -0.02 1.51 4.20 -1.20 -2.13 115.11 117.64 3h0l h GLN 27 Ca 0.00 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 3h0l h GLN 27 Cb 0.44 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3h0l h GLN 27 CO 0.00 0.45 -0.09 -0.22 -0.67 0.00 0.00 178.83 178.30 3h0l h LYS 28 N -0.13 0.10 -0.31 1.46 3.64 -1.43 -2.90 116.57 117.01 3h0l h LYS 28 Ca 0.03 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3h0l h LYS 28 Cb 0.38 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3h0l h LYS 28 CO 0.01 0.72 0.20 1.96 -2.27 0.00 0.00 179.45 180.07 3h0l h GLN 29 N -0.49 0.40 -0.19 1.90 4.20 -1.37 -0.58 115.11 118.98 3h0l h GLN 29 Ca -0.00 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.55 3h0l h GLN 29 Cb 0.74 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 3h0l h GLN 29 CO 0.02 0.26 -0.45 -0.07 -0.67 0.00 0.00 178.83 177.92 3h0l h LEU 30 N 0.41 0.50 -0.21 1.46 3.38 -1.51 -0.46 115.31 118.88 3h0l h LEU 30 Ca 0.11 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3h0l h LEU 30 Cb -0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3h0l h LEU 30 CO -0.03 0.88 0.06 0.28 0.09 0.00 0.00 178.44 179.72 3h0l h SER 31 N 0.38 0.04 0.04 -0.43 0.02 -1.28 0.12 113.55 112.44 3h0l h SER 31 Ca 0.03 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3h0l h SER 31 Cb 0.94 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 3h0l h SER 31 CO 0.08 0.05 -0.05 0.44 -1.14 0.00 0.00 176.83 176.22 3h0l h ASP 32 N 0.15 -0.12 -0.70 3.07 3.32 -0.81 -1.32 116.42 120.01 3h0l h ASP 32 Ca 0.09 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.16 3h0l h ASP 32 Cb 0.07 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3h0l h ASP 32 CO -0.11 -0.07 0.46 0.40 -1.72 0.00 0.00 179.24 178.19 3h0l h ILE 33 N -0.10 1.18 -0.39 0.35 2.04 -0.95 0.29 117.51 119.93 3h0l h ILE 33 Ca 0.01 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 3h0l h ILE 33 Cb 0.10 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 3h0l h ILE 33 CO -0.02 0.18 0.14 -0.07 0.00 0.00 0.00 178.15 178.38 3h0l h LEU 34 N 0.95 0.50 -0.34 1.44 4.07 -0.55 -0.45 115.31 120.93 3h0l h LEU 34 Ca 0.26 -0.05 -0.19 0.00 0.08 0.00 0.00 57.88 57.98 3h0l h LEU 34 Cb -0.10 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.51 3h0l h LEU 34 CO -0.05 0.46 -0.59 0.44 -1.08 0.00 0.00 178.44 177.62 3h0l h ASP 35 N 0.55 0.86 -0.42 -0.43 3.32 -0.47 -3.17 116.42 116.66 3h0l h ASP 35 Ca 0.13 -0.48 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 3h0l h ASP 35 Cb 0.13 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3h0l h ASP 35 CO -0.01 1.26 0.25 0.15 -1.72 0.00 0.00 179.24 179.16 3h0l h PHE 36 N 0.58 0.57 -0.01 4.55 3.57 0.68 -3.08 116.94 123.79 3h0l h PHE 36 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3h0l h PHE 36 Cb 1.19 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.74 3h0l h PHE 36 CO 0.07 0.41 -0.03 0.44 -2.23 0.00 0.00 178.31 176.97 3h0l n ILE 37 N -4.74 0.00 -1.89 1.41 -5.35 -0.29 -4.59 119.36 103.92 3h0l n ILE 37 Ca 0.01 -0.25 -0.41 0.00 -0.27 0.00 0.00 62.75 61.82 3h0l n ILE 37 Cb 0.06 0.54 -0.00 0.00 -1.74 0.00 0.00 39.64 38.50 3h0l n ILE 37 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3h0l n ASP 38 N 0.14 5.48 -0.01 7.28 2.03 -1.16 -4.30 116.55 126.00 3h0l n ASP 38 Ca 0.18 -2.92 0.01 0.00 0.52 0.00 0.00 54.79 52.58 3h0l n ASP 38 Cb 0.37 -1.55 -0.01 0.00 -0.72 0.00 0.00 41.12 39.20 3h0l n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h0l n GLN 39 N 4.49 5.39 0.15 -0.67 1.13 -1.26 -4.83 117.38 121.78 3h0l n GLN 39 Ca 0.53 -0.08 0.07 0.00 -1.94 0.00 0.00 57.00 55.59 3h0l n GLN 39 Cb 0.34 -0.67 0.07 0.00 0.11 0.00 0.00 30.24 30.09 3h0l n GLN 39 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3h0l h LEU 40 N 0.06 0.00 -1.54 1.08 3.38 -1.98 -3.29 115.31 113.02 3h0l h LEU 40 Ca 0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 3h0l h LEU 40 Cb 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3h0l h LEU 40 CO 0.00 0.23 0.54 0.11 0.09 0.00 0.00 178.44 179.40 3h0l h LYS 41 N 0.00 0.42 -0.32 1.13 1.57 -1.95 -1.50 116.57 115.93 3h0l h LYS 41 Ca -0.02 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.83 3h0l h LYS 41 Cb 1.19 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3h0l h LYS 41 CO 0.03 0.28 0.27 0.93 -0.57 0.00 0.00 179.45 180.38 3h0l h GLU 42 N 0.43 0.00 -6.20 3.15 5.08 -1.96 -3.43 114.58 111.66 3h0l h GLU 42 Ca 0.40 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 58.19 3h0l h GLU 42 Cb 0.93 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 3h0l h GLU 42 CO -0.14 0.00 -0.15 -0.51 -1.00 0.00 0.00 179.01 177.21 3h0l s LEU 43 N -8.22 4.39 -0.24 1.33 1.43 -0.57 -5.06 118.68 111.74 3h0l s LEU 43 Ca -0.05 0.99 -0.22 0.00 -1.03 0.00 0.00 54.13 53.83 3h0l s LEU 43 Cb 0.17 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 43.35 3h0l s LEU 43 CO 0.63 0.18 0.69 -0.62 0.23 0.00 0.00 176.35 177.46 3h0l s ASP 44 N -1.55 6.67 0.00 2.29 2.15 -1.26 -4.92 116.67 120.05 3h0l s ASP 44 Ca 0.33 0.82 0.00 0.00 0.43 0.00 0.00 52.55 54.13 3h0l s ASP 44 Cb -0.15 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 3h0l s ASP 44 CO 0.18 -0.40 0.67 0.35 -0.17 0.00 0.00 175.17 175.80 3h0l n THR 45 N 5.14 0.45 -1.76 1.71 -2.24 -1.26 -4.85 114.28 111.46 3h0l n THR 45 Ca 0.01 -0.54 -0.41 0.00 -2.27 0.00 0.00 64.05 60.84 3h0l n THR 45 Cb 0.49 0.88 -0.01 0.00 -2.10 0.00 0.00 70.33 69.59 3h0l n THR 45 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h0l n GLU 46 N -0.22 2.65 -1.06 -0.78 -0.58 -1.26 -2.01 120.64 117.38 3h0l n GLU 46 Ca 0.00 0.93 -0.02 0.00 -0.42 0.00 0.00 57.16 57.66 3h0l n GLU 46 Cb 0.27 -2.68 -0.01 0.00 -0.57 0.00 0.00 31.44 28.46 3h0l n GLU 46 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3h0l n ASN 47 N 1.06 -4.03 -4.30 1.62 3.02 -1.26 -5.00 115.26 106.38 3h0l n ASN 47 Ca 0.04 0.05 -0.33 0.00 -0.03 0.00 0.00 54.58 54.31 3h0l n ASN 47 Cb 0.38 -1.70 -0.15 0.00 -0.61 0.00 0.00 39.78 37.70 3h0l n ASN 47 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3h0l s VAL 48 N -1.81 2.71 0.07 2.41 1.01 -0.85 -5.11 120.40 118.82 3h0l s VAL 48 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 3h0l s VAL 48 Cb 0.00 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 3h0l s VAL 48 CO 0.00 0.52 1.00 -1.61 0.00 0.00 0.00 175.10 175.02 3h0l s GLU 49 N 0.57 4.61 0.37 2.72 0.41 -1.26 -5.01 118.70 121.11 3h0l s GLU 49 Ca -0.09 1.49 -0.26 0.00 -0.41 0.00 0.00 54.97 55.70 3h0l s GLU 49 Cb -0.16 -3.40 -0.12 0.00 -1.78 0.00 0.00 34.13 28.67 3h0l s GLU 49 CO 0.03 0.05 1.00 -0.35 -0.49 0.00 0.00 175.26 175.50 3h0l n PRO 50 N 3.32 1.35 -1.67 0.39 -0.04 -1.26 -4.87 135.00 132.22 3h0l n PRO 50 Ca 0.04 0.48 -0.44 0.00 -0.04 0.00 0.00 63.50 63.55 3h0l n PRO 50 Cb 0.49 -1.96 -0.04 0.00 -0.04 0.00 0.00 33.50 31.96 3h0l n PRO 50 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 3h0l n TYR 51 N -0.21 2.49 -4.35 0.54 9.36 -1.26 -5.03 117.16 118.70 3h0l n TYR 51 Ca 0.09 -0.20 -0.24 0.00 3.32 0.00 0.00 57.90 60.88 3h0l n TYR 51 Cb 0.36 -2.74 -0.13 0.00 -0.63 0.00 0.00 39.34 36.21 3h0l n TYR 51 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3h0l s ILE 52 N 3.74 1.64 0.52 2.97 1.01 -1.26 -5.13 121.20 124.68 3h0l s ILE 52 Ca 0.88 -1.44 -0.21 0.00 0.00 0.00 0.00 60.65 59.87 3h0l s ILE 52 Cb -0.52 -1.48 -0.06 0.00 0.01 0.00 0.00 42.46 40.41 3h0l s ILE 52 CO 0.43 -0.02 1.20 0.00 0.00 0.00 0.00 174.94 176.55 3h0l s GLN 53 N -1.73 3.42 0.35 2.79 -2.07 -1.26 -4.99 119.66 116.18 3h0l s GLN 53 Ca 0.06 1.83 -0.27 0.00 -1.82 0.00 0.00 55.36 55.16 3h0l s GLN 53 Cb -0.10 -2.21 -0.09 0.00 -1.09 0.00 0.00 33.01 29.52 3h0l s GLN 53 CO 0.03 -0.84 1.18 -1.21 -1.32 0.00 0.00 175.29 173.13 3h0l s GLU 54 N -2.97 4.30 -0.09 9.60 2.02 -1.26 -5.05 118.70 125.26 3h0l s GLU 54 Ca 0.69 1.92 -0.26 0.00 0.02 0.00 0.00 54.97 57.34 3h0l s GLU 54 Cb -0.30 -2.92 0.06 0.00 0.10 0.00 0.00 34.13 31.07 3h0l s GLU 54 CO 0.35 -0.13 0.60 -0.59 0.02 0.00 0.00 175.26 175.51 3h0l s PHE 55 N -1.28 -0.58 -0.16 1.61 -0.71 -1.26 -5.09 117.98 110.52 3h0l s PHE 55 Ca 0.51 1.11 -0.19 0.00 -1.04 0.00 0.00 56.93 57.33 3h0l s PHE 55 Cb -0.33 0.31 -0.16 0.00 -1.21 0.00 0.00 43.02 41.63 3h0l s PHE 55 CO 0.43 -0.50 0.32 1.49 -1.34 0.00 0.00 175.22 175.62 3h0l h GLU 56 N 3.72 0.00 -5.81 1.99 4.57 -2.07 -3.48 114.58 113.51 3h0l h GLU 56 Ca -0.28 0.00 -0.50 0.00 -1.18 0.00 0.00 59.36 57.41 3h0l h GLU 56 Cb 1.15 0.00 -0.22 0.00 -0.16 0.00 0.00 28.75 29.53 3h0l h GLU 56 CO 0.32 0.68 -0.81 -1.21 -1.18 0.00 0.00 179.01 176.81 3h0l s GLU 57 N -2.15 1.00 0.09 1.92 2.02 -1.26 -5.11 118.70 115.21 3h0l s GLU 57 Ca -0.18 -1.06 -0.31 0.00 0.02 0.00 0.00 54.97 53.44 3h0l s GLU 57 Cb 0.01 -1.15 -0.09 0.00 0.10 0.00 0.00 34.13 33.00 3h0l s GLU 57 CO 0.47 0.26 1.74 0.99 0.02 0.00 0.00 175.26 178.74 3h0l s THR 58 N -1.19 2.83 -0.08 3.63 2.01 -1.26 -4.95 115.64 116.64 3h0l s THR 58 Ca 0.03 0.29 -0.29 0.00 0.31 0.00 0.00 61.69 62.03 3h0l s THR 58 Cb -0.10 -3.19 -0.06 0.00 0.01 0.00 0.00 72.50 69.16 3h0l s THR 58 CO 0.03 -0.00 1.85 -2.84 -0.69 0.00 0.00 174.62 172.97 3h0l s PRO 59 N 2.76 3.93 0.26 4.92 0.02 -1.26 -5.01 135.00 140.62 3h0l s PRO 59 Ca 0.77 2.22 0.03 0.00 0.02 0.00 0.00 61.00 64.04 3h0l s PRO 59 Cb -0.42 -4.12 -0.05 0.00 0.02 0.00 0.00 34.50 29.92 3h0l s PRO 59 CO 0.34 -1.17 0.02 -1.64 -0.33 0.00 0.00 177.00 174.22 3h0l s MET 60 N 4.68 1.43 0.00 5.54 -1.94 -1.26 -5.15 119.30 122.60 3h0l s MET 60 Ca 0.83 -1.75 0.04 0.00 -1.71 0.00 0.00 55.69 53.10 3h0l s MET 60 Cb -0.35 -0.66 -0.01 0.00 2.01 0.00 0.00 34.83 35.81 3h0l s MET 60 CO 0.35 -0.13 -0.14 0.50 -0.01 0.00 0.00 175.02 175.58 3h0l s ARG 61 N -3.88 1.07 0.66 2.03 3.52 -1.26 -5.13 118.95 115.96 3h0l s ARG 61 Ca 0.32 -0.58 -0.17 0.00 -0.13 0.00 0.00 55.73 55.17 3h0l s ARG 61 Cb 0.07 -1.05 -0.00 0.00 -1.56 0.00 0.00 34.95 32.40 3h0l s ARG 61 CO 0.11 0.28 1.22 -1.21 -0.81 0.00 0.00 175.30 174.89 3h0l s GLU 62 N -0.57 2.58 -1.51 5.12 0.41 -1.26 -4.91 118.70 118.56 3h0l s GLU 62 Ca 0.04 1.83 -0.12 0.00 -0.41 0.00 0.00 54.97 56.31 3h0l s GLU 62 Cb -0.06 -1.88 0.00 0.00 -1.78 0.00 0.00 34.13 30.41 3h0l s GLU 62 CO 0.00 -1.52 2.47 -3.47 -0.49 0.00 0.00 175.26 172.25 3h0l n ASP 63 N -2.11 5.59 -4.11 -0.19 2.03 -1.26 -4.88 116.55 111.62 3h0l n ASP 63 Ca 0.14 -2.76 -0.29 0.00 0.52 0.00 0.00 54.79 52.39 3h0l n ASP 63 Cb 0.50 -1.62 -0.17 0.00 -0.72 0.00 0.00 41.12 39.11 3h0l n ASP 63 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3h0l s GLU 64 N 2.71 2.46 0.26 -0.67 2.02 -1.26 -5.12 118.70 119.11 3h0l s GLU 64 Ca 0.54 -0.66 -0.30 0.00 0.02 0.00 0.00 54.97 54.57 3h0l s GLU 64 Cb 0.15 -1.99 -0.13 0.00 0.10 0.00 0.00 34.13 32.26 3h0l s GLU 64 CO -0.08 0.02 1.41 -2.30 0.02 0.00 0.00 175.26 174.33 3h0l n PRO 65 N 3.93 2.13 -4.36 0.39 -0.02 -1.26 -5.04 135.00 130.77 3h0l n PRO 65 Ca -0.20 0.76 -0.31 0.00 -2.02 0.00 0.00 63.50 61.73 3h0l n PRO 65 Cb 0.52 -2.41 -0.10 0.00 -0.02 0.00 0.00 33.50 31.48 3h0l n PRO 65 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3h0l s HIS 66 N -0.24 2.82 -0.08 6.00 3.76 -1.26 -5.08 115.29 121.21 3h0l s HIS 66 Ca 0.65 -0.10 -0.36 0.00 -0.15 0.00 0.00 55.06 55.11 3h0l s HIS 66 Cb -0.62 -1.53 -0.13 0.00 1.11 0.00 0.00 32.58 31.41 3h0l s HIS 66 CO 0.52 0.39 1.75 -2.30 -0.85 0.00 0.00 174.74 174.25 3h0l n PRO 67 N 1.15 1.84 -1.17 8.40 -0.02 -1.26 -4.96 135.00 138.98 3h0l n PRO 67 Ca -0.14 0.67 -0.29 0.00 -2.02 0.00 0.00 63.50 61.72 3h0l n PRO 67 Cb 0.52 -2.45 0.16 0.00 -0.02 0.00 0.00 33.50 31.72 3h0l n PRO 67 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3h0l s SER 68 N 3.12 2.96 0.36 2.55 0.01 -1.26 -5.01 113.70 116.42 3h0l s SER 68 Ca 0.91 1.33 -0.27 0.00 1.31 0.00 0.00 55.95 59.23 3h0l s SER 68 Cb -0.80 -2.00 -0.09 0.00 0.21 0.00 0.00 66.02 63.33 3h0l s SER 68 CO 0.52 -2.94 1.16 -0.22 0.41 0.00 0.00 173.24 172.17 3h0l s LEU 69 N -6.37 4.32 0.15 2.44 2.96 -1.26 -4.97 118.68 115.95 3h0l s LEU 69 Ca 0.65 2.36 -0.31 0.00 -0.22 0.00 0.00 54.13 56.60 3h0l s LEU 69 Cb -0.18 -3.87 -0.10 0.00 0.50 0.00 0.00 46.19 42.54 3h0l s LEU 69 CO 0.57 -0.50 1.65 -0.62 -1.32 0.00 0.00 176.35 176.14 3h0l s ASP 70 N -0.99 6.52 0.44 3.68 2.15 -1.26 -4.83 116.67 122.38 3h0l s ASP 70 Ca 0.52 2.67 0.13 0.00 0.43 0.00 0.00 52.55 56.30 3h0l s ASP 70 Cb -0.32 -2.59 1.03 0.00 -0.30 0.00 0.00 42.92 40.75 3h0l s ASP 70 CO 0.41 -0.89 2.02 -0.09 -0.17 0.00 0.00 175.17 176.44 3h0l h ARG 71 N 7.31 0.37 -0.66 4.34 2.43 -1.98 -0.11 114.38 126.07 3h0l h ARG 71 Ca -0.43 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.75 3h0l h ARG 71 Cb 1.20 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.63 3h0l h ARG 71 CO 0.93 0.25 0.41 1.49 -1.51 0.00 0.00 179.97 181.54 3h0l h GLU 72 N 0.38 0.78 0.00 0.20 4.81 -1.98 -0.74 114.58 118.03 3h0l h GLU 72 Ca 0.22 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 3h0l h GLU 72 Cb 0.37 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3h0l h GLU 72 CO -0.05 0.52 -0.37 0.87 -0.73 0.00 0.00 179.01 179.25 3h0l h LYS 73 N 0.81 0.00 0.00 1.92 1.57 -1.45 0.14 116.57 119.55 3h0l h LYS 73 Ca 0.27 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.91 3h0l h LYS 73 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3h0l h LYS 73 CO -0.11 0.37 -0.64 0.00 -0.57 0.00 0.00 179.45 178.50 3h0l h ALA 74 N 1.63 0.81 0.00 3.86 0.00 -0.74 -3.34 119.26 121.49 3h0l h ALA 74 Ca -0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 3h0l h ALA 74 Cb 1.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3h0l h ALA 74 CO 0.05 0.81 -1.75 1.28 0.00 0.00 0.00 179.25 179.63 3h0l n LEU 75 N -3.59 0.00 -0.38 0.00 7.99 -0.33 -4.67 117.00 116.03 3h0l n LEU 75 Ca -0.00 0.00 0.33 0.00 -0.01 0.00 0.00 56.01 56.32 3h0l n LEU 75 Cb 0.68 0.01 0.65 0.00 -0.11 0.00 0.00 43.42 44.65 3h0l n LEU 75 CO 0.42 0.01 1.28 0.00 -1.51 0.00 0.00 177.39 177.59 3h0l h MET 76 N 0.00 0.15 -0.00 3.23 -0.00 -0.84 0.20 114.93 117.67 3h0l h MET 76 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 3h0l h MET 76 Cb 0.77 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.33 3h0l h MET 76 CO 0.00 0.10 -0.40 0.09 -0.00 0.00 0.00 176.91 176.70 3h0l n ASN 77 N -4.42 0.55 -4.71 -0.10 3.02 -1.26 -4.94 115.26 103.39 3h0l n ASN 77 Ca 0.29 -0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 54.11 3h0l n ASN 77 Cb 1.22 0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 40.51 3h0l n ASN 77 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h0l s ALA 78 N -2.89 3.84 0.32 5.41 0.00 0.70 -4.91 121.76 124.23 3h0l s ALA 78 Ca 0.14 1.48 0.09 0.00 0.00 0.00 0.00 51.96 53.67 3h0l s ALA 78 Cb 0.18 -3.70 0.86 0.00 0.00 0.00 0.00 23.12 20.46 3h0l s ALA 78 CO 0.65 -0.99 1.75 -1.35 0.00 0.00 0.00 175.76 175.81 3h0l h PRO 79 N 7.42 0.60 -2.84 0.00 0.11 -1.92 -3.41 132.00 131.97 3h0l h PRO 79 Ca -0.44 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.47 3h0l h PRO 79 Cb 1.21 -0.14 -0.29 0.00 0.11 0.00 0.00 31.00 31.89 3h0l h PRO 79 CO 0.94 0.40 -0.42 -2.00 -0.21 0.00 0.00 178.00 176.71 3h0l s GLU 80 N -5.78 0.26 0.09 1.05 2.12 -1.26 -5.09 118.70 110.09 3h0l s GLU 80 Ca -0.11 0.69 0.07 0.00 0.36 0.00 0.00 54.97 55.98 3h0l s GLU 80 Cb 0.26 -0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.58 3h0l s GLU 80 CO 0.80 -0.19 -0.18 -0.98 -0.54 0.00 0.00 175.26 174.17 3h0l s ARG 81 N 1.61 1.00 -0.17 4.30 1.70 -1.26 -0.69 118.95 125.43 3h0l s ARG 81 Ca -0.07 -1.08 -0.08 0.00 -0.47 0.00 0.00 55.73 54.03 3h0l s ARG 81 Cb -0.10 -1.15 0.07 0.00 -0.57 0.00 0.00 34.95 33.20 3h0l s ARG 81 CO -0.10 0.26 0.38 0.21 -1.08 0.00 0.00 175.30 174.98 3h0l s LYS 82 N -1.86 0.33 -1.30 3.89 2.20 -0.32 -4.90 119.74 117.77 3h0l s LYS 82 Ca 0.03 0.85 -0.10 0.00 -0.36 0.00 0.00 55.97 56.40 3h0l s LYS 82 Cb -0.10 0.10 0.08 0.00 -1.51 0.00 0.00 37.83 36.39 3h0l s LYS 82 CO 0.03 -0.21 0.50 -0.25 -0.36 0.00 0.00 175.35 175.07 3h0l n ASP 83 N 4.79 -3.69 0.00 1.43 8.00 -1.26 -0.78 116.55 125.04 3h0l n ASP 83 Ca -0.16 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 54.92 3h0l n ASP 83 Cb 0.52 -3.06 0.00 0.00 -0.02 0.00 0.00 41.12 38.57 3h0l n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h0l n GLY 84 N -1.18 0.68 3.60 0.44 0.00 -1.26 -5.07 105.19 102.39 3h0l n GLY 84 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3h0l n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h0l s PHE 85 N -2.37 2.82 0.25 1.61 0.08 0.04 -5.10 117.98 115.30 3h0l s PHE 85 Ca 0.00 -0.11 -0.30 0.00 0.12 0.00 0.00 56.93 56.65 3h0l s PHE 85 Cb 0.00 -1.49 -0.09 0.00 -0.57 0.00 0.00 43.02 40.87 3h0l s PHE 85 CO 0.00 0.42 1.09 -0.06 -0.10 0.00 0.00 175.22 176.57 3h0l s PHE 86 N -1.18 3.61 -0.11 0.36 0.08 -1.26 -1.17 117.98 118.31 3h0l s PHE 86 Ca 0.21 1.68 0.01 0.00 0.12 0.00 0.00 56.93 58.96 3h0l s PHE 86 Cb -0.11 -3.26 -0.02 0.00 -0.57 0.00 0.00 43.02 39.06 3h0l s PHE 86 CO 0.13 -0.50 -0.15 0.08 -0.10 0.00 0.00 175.22 174.69 3h0l s VAL 87 N -0.89 2.93 0.11 -0.44 1.01 0.13 -4.85 120.40 118.40 3h0l s VAL 87 Ca 0.46 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3h0l s VAL 87 Cb -0.31 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 3h0l s VAL 87 CO 0.39 0.54 -0.01 0.68 0.00 0.00 0.00 175.10 176.70 3h0l s VAL 88 N 0.09 0.37 0.43 2.92 -7.23 -1.26 -4.43 120.40 111.29 3h0l s VAL 88 Ca -0.07 -1.90 -0.26 0.00 -1.81 0.00 0.00 61.98 57.95 3h0l s VAL 88 Cb -0.15 -1.81 -0.09 0.00 0.56 0.00 0.00 36.38 34.89 3h0l s VAL 88 CO 0.05 -0.72 1.40 -0.81 -0.31 0.00 0.00 175.10 174.70 3h0l n PRO 89 N -0.04 2.23 -1.36 4.82 -0.04 -1.26 -4.82 135.00 134.53 3h0l n PRO 89 Ca -0.10 0.79 -0.47 0.00 -0.04 0.00 0.00 63.50 63.68 3h0l n PRO 89 Cb 0.62 -2.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.48 3h0l n PRO 89 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3h0l n ARG 90 N -0.04 0.00 -4.15 0.54 0.63 -1.26 -5.00 116.66 107.39 3h0l n ARG 90 Ca 0.05 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.68 3h0l n ARG 90 Cb 0.40 -0.99 -0.08 0.00 0.45 0.00 0.00 32.46 32.25 3h0l n ARG 90 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3h0l s VAL 91 N -0.93 3.89 0.00 5.15 1.01 -1.26 -5.32 120.40 122.93 3h0l s VAL 91 Ca 0.63 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3h0l s VAL 91 Cb -0.91 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 32.60 3h0l s VAL 91 CO 0.54 0.08 0.00 0.55 0.00 0.00 0.00 175.10 176.28