#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c9p s ALA 0 N 0.00 2.90 0.00 5.20 0.00 -1.26 -5.17 121.76 123.43 3c9p s ALA 0 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.14 3c9p s ALA 0 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3c9p s ALA 0 CO 0.00 -0.68 0.00 -1.13 0.00 0.00 0.00 175.76 173.95 3c9p n SER 2 N -2.21 0.00 0.07 0.00 3.41 -1.26 -4.90 113.62 108.73 3c9p n SER 2 Ca 0.07 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.78 3c9p n SER 2 Cb 0.54 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.89 3c9p n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3c9p n GLN 3 N 0.00 0.11 -0.22 4.33 6.02 -1.26 -2.01 117.38 124.35 3c9p n GLN 3 Ca 0.00 0.35 0.20 0.00 -0.01 0.00 0.00 57.00 57.54 3c9p n GLN 3 Cb 0.00 -1.71 0.54 0.00 1.02 0.00 0.00 30.24 30.10 3c9p n GLN 3 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3c9p h LYS 4 N 0.00 0.33 -0.96 -1.09 1.57 -2.01 -1.12 116.57 113.29 3c9p h LYS 4 Ca 0.00 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.89 3c9p h LYS 4 Cb 0.30 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.46 3c9p h LYS 4 CO 0.00 0.22 0.61 1.25 -0.57 0.00 0.00 179.45 180.96 3c9p h LEU 5 N 0.34 0.83 -2.26 2.94 5.85 -1.75 -2.66 115.31 118.60 3c9p h LEU 5 Ca 0.45 0.05 0.01 0.00 0.84 0.00 0.00 57.88 59.22 3c9p h LEU 5 Cb 1.19 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 3c9p h LEU 5 CO -0.15 0.44 0.02 1.88 -0.34 0.00 0.00 178.44 180.29 3c9p h TYR 6 N 0.89 0.00 -3.39 1.25 0.05 -1.41 -3.40 116.97 110.96 3c9p h TYR 6 Ca 0.48 0.00 -0.79 0.00 0.05 0.00 0.00 58.73 58.47 3c9p h TYR 6 Cb 0.56 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 38.02 3c9p h TYR 6 CO -0.00 0.00 0.48 0.09 -1.05 0.00 0.00 178.16 177.68 3c9p n ASN 7 N -4.13 5.61 -4.60 3.88 3.02 -1.01 -0.78 115.26 117.25 3c9p n ASN 7 Ca -0.02 -3.13 -0.34 0.00 -0.03 0.00 0.00 54.58 51.05 3c9p n ASN 7 Cb 0.11 -1.33 -0.11 0.00 -0.61 0.00 0.00 39.78 37.85 3c9p n ASN 7 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3c9p s LYS 9 N -1.64 3.62 0.21 3.52 -0.14 -1.26 -4.82 119.74 119.23 3c9p s LYS 9 Ca 0.31 -0.42 -0.12 0.00 -1.36 0.00 0.00 55.97 54.37 3c9p s LYS 9 Cb -0.06 -3.00 0.27 0.00 -1.68 0.00 0.00 37.83 33.36 3c9p s LYS 9 CO -0.04 0.37 1.64 0.35 -0.76 0.00 0.00 175.35 176.91 3c9p h PHE 10 N 6.31 -0.20 0.04 3.18 3.57 -1.13 -2.71 116.94 126.00 3c9p h PHE 10 Ca -0.38 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.17 3c9p h PHE 10 Cb 1.18 0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.11 3c9p h PHE 10 CO 0.57 -0.23 -0.02 0.00 -2.23 0.00 0.00 178.31 176.40 3c9p h ALA 11 N 1.60 -0.06 -0.48 2.41 0.00 -1.82 0.93 119.26 121.84 3c9p h ALA 11 Ca 0.32 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3c9p h ALA 11 Cb 0.50 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3c9p h ALA 11 CO -0.60 -0.45 0.29 0.00 0.00 0.00 0.00 179.25 178.49 3c9p h ALA 12 N 0.73 0.62 -0.25 0.00 0.00 -1.94 0.11 119.26 118.53 3c9p h ALA 12 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3c9p h ALA 12 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3c9p h ALA 12 CO 0.01 -0.01 0.16 0.28 0.00 0.00 0.00 179.25 179.69 3c9p h VAL 13 N 0.59 1.08 -0.57 0.00 2.07 -1.15 -1.64 116.25 116.63 3c9p h VAL 13 Ca 0.19 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 3c9p h VAL 13 Cb 0.00 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3c9p h VAL 13 CO -0.08 0.08 0.00 0.22 0.02 0.00 0.00 177.57 177.81 3c9p h TYR 14 N 0.33 1.09 -0.16 1.57 3.20 -0.66 -2.52 116.97 119.82 3c9p h TYR 14 Ca 0.09 -0.19 -0.04 0.00 3.14 0.00 0.00 58.73 61.73 3c9p h TYR 14 Cb -0.01 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 3c9p h TYR 14 CO -0.05 0.98 -0.09 -0.07 -1.64 0.00 0.00 178.16 177.28 3c9p h LEU 15 N 0.88 0.23 -0.93 2.82 3.38 -0.91 -2.01 115.31 118.78 3c9p h LEU 15 Ca 0.16 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3c9p h LEU 15 Cb 0.54 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3c9p h LEU 15 CO 0.03 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.93 3c9p h ALA 16 N 1.67 1.11 -0.15 1.53 0.00 -0.99 -0.13 119.26 122.30 3c9p h ALA 16 Ca 0.05 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3c9p h ALA 16 Cb 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3c9p h ALA 16 CO 0.02 0.57 0.03 -0.07 0.00 0.00 0.00 179.25 179.80 3c9p h LEU 17 N 0.74 0.01 -0.64 0.00 3.38 -0.97 -2.03 115.31 115.80 3c9p h LEU 17 Ca 0.14 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.18 3c9p h LEU 17 Cb 0.44 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 3c9p h LEU 17 CO 0.02 0.03 0.38 0.40 0.09 0.00 0.00 178.44 179.36 3c9p h ILE 18 N 0.09 1.03 -0.83 1.22 2.04 -1.20 -2.28 117.51 117.59 3c9p h ILE 18 Ca 0.07 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.69 3c9p h ILE 18 Cb 0.06 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 3c9p h ILE 18 CO -0.09 0.13 0.54 0.00 0.00 0.00 0.00 178.15 178.73 3c9p h ALA 19 N 1.31 1.05 -0.40 1.87 0.00 -0.79 0.13 119.26 122.42 3c9p h ALA 19 Ca 0.27 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3c9p h ALA 19 Cb 0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3c9p h ALA 19 CO -0.14 0.47 0.16 -0.22 0.00 0.00 0.00 179.25 179.52 3c9p h LYS 20 N 1.13 0.32 -0.37 0.00 3.64 -0.97 -0.19 116.57 120.12 3c9p h LYS 20 Ca 0.30 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.56 3c9p h LYS 20 Cb -0.12 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 3c9p h LYS 20 CO -0.06 0.21 -0.16 0.28 -2.27 0.00 0.00 179.45 177.45 3c9p h VAL 21 N 0.33 1.28 -0.51 2.00 2.07 -0.82 -3.02 116.25 117.58 3c9p h VAL 21 Ca 0.18 -1.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 3c9p h VAL 21 Cb 0.15 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3c9p h VAL 21 CO -0.17 0.42 0.02 -0.33 0.02 0.00 0.00 177.57 177.53 3c9p h GLU 22 N 0.55 0.84 -0.04 1.57 5.08 -0.59 -0.48 114.58 121.51 3c9p h GLU 22 Ca 0.08 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3c9p h GLU 22 Cb 0.70 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 3c9p h GLU 22 CO 0.05 0.83 0.05 0.00 -1.00 0.00 0.00 179.01 178.95 3c9p h ARG 23 N 0.79 0.00 -0.49 2.33 3.08 -0.97 -1.16 114.38 117.97 3c9p h ARG 23 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3c9p h ARG 23 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3c9p h ARG 23 CO 0.02 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.55 3c9p n LYS 24 N -3.80 4.35 -0.80 0.04 4.76 -0.78 -4.95 118.16 116.99 3c9p n LYS 24 Ca -0.02 -3.08 0.00 0.00 -2.87 0.00 0.00 58.31 52.34 3c9p n LYS 24 Cb 0.14 -2.15 0.00 0.00 -1.84 0.00 0.00 35.03 31.18 3c9p n LYS 24 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3c9p n GLY 25 N 0.31 0.81 1.94 0.72 0.00 -0.44 -4.85 105.19 103.68 3c9p n GLY 25 Ca 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.14 3c9p n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3c9p n GLY 26 N -2.23 -1.02 3.28 -0.02 0.00 -0.26 -4.98 105.19 99.97 3c9p n GLY 26 Ca 0.00 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 3c9p n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3c9p s LYS 27 N -4.35 1.89 0.27 1.61 1.02 -1.26 -4.21 119.74 114.71 3c9p s LYS 27 Ca 0.37 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.47 3c9p s LYS 27 Cb -0.01 -1.87 0.56 0.00 -0.52 0.00 0.00 37.83 35.99 3c9p s LYS 27 CO 0.26 0.51 1.79 0.00 -0.92 0.00 0.00 175.35 176.99 3c9p h ALA 28 N 5.39 1.41 -0.79 5.17 0.00 -1.96 -1.62 119.26 126.87 3c9p h ALA 28 Ca -0.42 0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.67 3c9p h ALA 28 Cb 1.13 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 3c9p h ALA 28 CO 0.47 0.04 0.52 1.49 0.00 0.00 0.00 179.25 181.76 3c9p h GLU 29 N 0.79 0.57 -0.21 0.00 4.57 -2.00 -1.63 114.58 116.68 3c9p h GLU 29 Ca 0.49 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.55 3c9p h GLU 29 Cb 0.61 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3c9p h GLU 29 CO -0.32 0.38 -0.25 0.66 -1.18 0.00 0.00 179.01 178.29 3c9p h SER 30 N 0.59 0.39 -0.14 1.04 4.64 -1.72 -1.36 113.55 116.99 3c9p h SER 30 Ca 0.38 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.56 3c9p h SER 30 Cb 0.66 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3c9p h SER 30 CO -0.14 0.64 0.03 0.58 -0.87 0.00 0.00 176.83 177.07 3c9p h VAL 31 N 0.34 1.21 -0.65 0.95 2.07 -1.37 -1.77 116.25 117.04 3c9p h VAL 31 Ca 0.05 -0.66 0.06 0.00 0.82 0.00 0.00 66.70 66.97 3c9p h VAL 31 Cb 0.63 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 3c9p h VAL 31 CO 0.05 0.20 0.35 0.45 0.02 0.00 0.00 177.57 178.63 3c9p h HIS 32 N 0.02 0.64 -0.21 1.57 -0.00 -1.11 -0.97 115.15 115.09 3c9p h HIS 32 Ca 0.04 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 3c9p h HIS 32 Cb 0.28 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.49 3c9p h HIS 32 CO 0.01 0.29 0.11 1.96 -0.00 0.00 0.00 177.93 180.30 3c9p h GLN 33 N 0.64 0.30 -0.04 2.45 1.08 -1.10 -0.10 115.11 118.35 3c9p h GLN 33 Ca 0.30 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 57.33 3c9p h GLN 33 Cb 0.21 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 3c9p h GLN 33 CO -0.20 0.30 -0.57 -0.39 -0.95 0.00 0.00 178.83 177.03 3c9p h VAL 34 N 0.23 1.39 -0.10 -0.54 -1.51 -1.15 -1.48 116.25 113.09 3c9p h VAL 34 Ca 0.07 -1.92 -0.02 0.00 -1.23 0.00 0.00 66.70 63.60 3c9p h VAL 34 Cb 0.09 2.00 -0.00 0.00 -2.13 0.00 0.00 31.29 31.25 3c9p h VAL 34 CO -0.01 0.56 -0.01 0.74 -1.23 0.00 0.00 177.57 177.62 3c9p h THR 35 N 0.09 1.27 -0.45 7.19 2.02 -1.03 -1.69 112.91 120.30 3c9p h THR 35 Ca -0.00 -0.85 0.06 0.00 0.77 0.00 0.00 66.41 66.38 3c9p h THR 35 Cb 1.03 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 69.03 3c9p h THR 35 CO 0.08 0.24 0.16 -1.28 0.37 0.00 0.00 175.52 175.09 3c9p h SER 36 N -0.11 0.16 -0.24 4.18 0.87 -0.95 -1.63 113.55 115.84 3c9p h SER 36 Ca 0.03 0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.68 3c9p h SER 36 Cb 0.38 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 3c9p h SER 36 CO 0.01 0.12 0.02 -0.25 -0.53 0.00 0.00 176.83 176.20 3c9p h TRP 37 N 0.33 0.03 -0.23 2.24 7.01 -1.19 -0.12 115.95 124.01 3c9p h TRP 37 Ca 0.21 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 3c9p h TRP 37 Cb 0.21 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 3c9p h TRP 37 CO -0.16 -0.01 0.09 1.25 -2.79 0.00 0.00 178.44 176.82 3c9p h LEU 38 N 0.10 0.32 0.00 0.65 5.85 -1.08 -3.35 115.31 117.80 3c9p h LEU 38 Ca 0.11 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3c9p h LEU 38 Cb 0.13 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3c9p h LEU 38 CO -0.17 0.40 -1.72 0.35 -0.34 0.00 0.00 178.44 176.96 3c9p n THR 39 N -4.80 0.36 -0.05 1.05 -2.24 -0.63 -1.94 114.28 106.04 3c9p n THR 39 Ca -0.03 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3c9p n THR 39 Cb 0.13 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 3c9p n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3c9p n GLY 40 N 1.29 1.73 3.78 3.38 0.00 -0.07 -1.27 105.19 114.03 3c9p n GLY 40 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3c9p n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3c9p s TYR 41 N -2.66 2.74 0.51 1.61 2.02 -1.25 -4.70 117.35 115.63 3c9p s TYR 41 Ca 0.00 1.26 -0.21 0.00 -0.37 0.00 0.00 57.07 57.75 3c9p s TYR 41 Cb 0.00 -3.90 -0.06 0.00 -0.40 0.00 0.00 41.96 37.60 3c9p s TYR 41 CO 0.00 -2.59 1.15 -1.21 -1.57 0.00 0.00 175.55 171.33 3c9p s GLU 42 N -2.01 3.50 0.32 -0.62 0.41 -1.26 -4.35 118.70 114.69 3c9p s GLU 42 Ca 0.52 1.69 0.07 0.00 -0.41 0.00 0.00 54.97 56.83 3c9p s GLU 42 Cb -0.44 -2.16 0.76 0.00 -1.78 0.00 0.00 34.13 30.51 3c9p s GLU 42 CO 0.59 -0.74 1.80 0.28 -0.49 0.00 0.00 175.26 176.69 3c9p h VAL 43 N 1.46 0.73 -0.19 2.63 2.07 -1.95 -0.20 116.25 120.80 3c9p h VAL 43 Ca -0.50 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 3c9p h VAL 43 Cb 1.26 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3c9p h VAL 43 CO 0.58 0.14 -0.16 0.77 0.02 0.00 0.00 177.57 178.92 3c9p h SER 44 N 0.75 0.30 -0.20 0.57 4.64 -1.98 -1.08 113.55 116.54 3c9p h SER 44 Ca 0.55 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.80 3c9p h SER 44 Cb 0.89 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 3c9p h SER 44 CO -0.34 0.48 0.10 0.44 -0.87 0.00 0.00 176.83 176.64 3c9p h ASP 45 N 0.29 0.25 -0.30 4.97 3.32 -1.42 -0.66 116.42 122.86 3c9p h ASP 45 Ca 0.05 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.02 3c9p h ASP 45 Cb 0.46 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 3c9p h ASP 45 CO 0.03 0.29 0.14 0.58 -1.72 0.00 0.00 179.24 178.56 3c9p h VAL 46 N 0.19 0.98 -0.50 -1.35 2.07 -0.65 -2.33 116.25 114.67 3c9p h VAL 46 Ca 0.07 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 3c9p h VAL 46 Cb 0.10 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3c9p h VAL 46 CO -0.01 0.05 0.09 -0.07 0.02 0.00 0.00 177.57 177.65 3c9p h LEU 47 N 0.29 0.73 -1.32 2.57 3.38 -1.17 -2.31 115.31 117.47 3c9p h LEU 47 Ca 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3c9p h LEU 47 Cb 0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3c9p h LEU 47 CO -0.09 0.74 0.26 0.00 0.09 0.00 0.00 178.44 179.44 3c9p h ALA 48 N 1.35 1.48 0.00 1.53 0.00 -0.74 -2.29 119.26 120.59 3c9p h ALA 48 Ca 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3c9p h ALA 48 Cb 0.33 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3c9p h ALA 48 CO 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 179.25 179.66 3c9p h LEU 50 N 0.00 0.00 -3.34 0.00 3.38 -1.42 -2.42 115.31 111.51 3c9p h LEU 50 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3c9p h LEU 50 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3c9p h LEU 50 CO 0.00 0.09 0.00 -0.67 0.09 0.00 0.00 178.44 177.95 3c9p n ASP 51 N -3.77 5.16 -4.47 -0.43 2.03 -0.48 -4.85 116.55 109.73 3c9p n ASP 51 Ca -0.02 -2.69 -0.24 0.00 0.52 0.00 0.00 54.79 52.35 3c9p n ASP 51 Cb 0.19 -0.62 -0.10 0.00 -0.72 0.00 0.00 41.12 39.87 3c9p n ASP 51 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3c9p s ARG 52 N -2.31 1.68 0.00 -0.67 0.52 -0.91 -5.04 118.95 112.22 3c9p s ARG 52 Ca 0.52 -1.77 0.19 0.00 -0.52 0.00 0.00 55.73 54.15 3c9p s ARG 52 Cb 0.37 -1.77 0.78 0.00 0.52 0.00 0.00 34.95 34.85 3c9p s ARG 52 CO 0.20 0.33 1.55 -3.47 0.02 0.00 0.00 175.30 173.93 3c9p n ASP 53 N -0.61 1.20 -4.63 0.23 -0.08 -1.26 -4.73 116.55 106.67 3c9p n ASP 53 Ca -0.05 -1.67 -0.41 0.00 -1.51 0.00 0.00 54.79 51.15 3c9p n ASP 53 Cb 0.60 -0.08 0.02 0.00 2.34 0.00 0.00 41.12 43.99 3c9p n ASP 53 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 3c9p n VAL 54 N 0.03 2.64 -2.22 5.18 3.14 -1.26 -4.77 118.33 121.08 3c9p n VAL 54 Ca 0.15 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.72 3c9p n VAL 54 Cb 0.25 -1.24 -0.00 0.00 -1.06 0.00 0.00 33.84 31.78 3c9p n VAL 54 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 3c9p s THR 55 N -1.29 4.73 0.24 1.55 -4.23 -1.26 -0.77 115.64 114.61 3c9p s THR 55 Ca 0.64 0.76 -0.06 0.00 -1.18 0.00 0.00 61.69 61.85 3c9p s THR 55 Cb -0.53 -3.83 0.20 0.00 1.34 0.00 0.00 72.50 69.68 3c9p s THR 55 CO 0.56 -0.95 1.84 0.22 -0.54 0.00 0.00 174.62 175.75 3c9p h TYR 56 N 0.15 0.93 -0.46 3.99 3.20 -1.78 -0.94 116.97 122.05 3c9p h TYR 56 Ca -0.45 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.42 3c9p h TYR 56 Cb 1.19 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 3c9p h TYR 56 CO 0.63 0.46 0.21 0.78 -1.64 0.00 0.00 178.16 178.60 3c9p h GLY 57 N 0.91 0.72 1.94 1.82 0.00 -1.16 -2.79 103.07 104.53 3c9p h GLY 57 Ca 0.36 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 3c9p h GLY 57 CO -0.18 0.35 -0.39 -0.55 0.00 0.00 0.00 176.54 175.78 3c9p h ASP 58 N 0.60 0.07 0.03 0.19 3.32 -1.60 0.12 116.42 119.15 3c9p h ASP 58 Ca 0.16 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.20 3c9p h ASP 58 Cb 0.15 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3c9p h ASP 58 CO -0.02 0.45 -0.18 0.15 -1.72 0.00 0.00 179.24 177.93 3c9p h PHE 59 N 0.06 -0.46 -0.50 4.55 3.57 -0.97 -2.21 116.94 120.99 3c9p h PHE 59 Ca 0.00 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 3c9p h PHE 59 Cb 0.71 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 3c9p h PHE 59 CO 0.00 -0.26 -0.04 0.74 -2.23 0.00 0.00 178.31 176.53 3c9p h PHE 60 N -0.30 0.93 -0.03 0.41 -1.00 -1.22 -2.89 116.94 112.83 3c9p h PHE 60 Ca 0.04 -0.15 -0.03 0.00 2.81 0.00 0.00 57.97 60.64 3c9p h PHE 60 Cb 0.36 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 3c9p h PHE 60 CO -0.21 0.86 -0.14 0.00 -1.61 0.00 0.00 178.31 177.22 3c9p h ARG 61 N 0.79 0.05 -0.62 1.51 3.08 -0.66 -2.95 114.38 115.58 3c9p h ARG 61 Ca 0.14 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3c9p h ARG 61 Cb 0.53 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3c9p h ARG 61 CO 0.03 0.20 0.00 1.04 -1.07 0.00 0.00 179.97 180.16 3c9p n GLN 62 N -4.35 2.97 -1.65 0.04 6.02 -0.84 -4.99 117.38 114.59 3c9p n GLN 62 Ca -0.02 -2.58 -0.47 0.00 -0.01 0.00 0.00 57.00 53.92 3c9p n GLN 62 Cb 0.22 -1.57 -0.04 0.00 1.02 0.00 0.00 30.24 29.87 3c9p n GLN 62 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3c9p n ALA 63 N 1.23 0.64 0.10 -1.58 0.00 -1.10 -4.89 120.51 114.91 3c9p n ALA 63 Ca 0.22 0.46 -0.03 0.00 0.00 0.00 0.00 53.44 54.09 3c9p n ALA 63 Cb 0.64 -2.25 0.19 0.00 0.00 0.00 0.00 19.45 18.03 3c9p n ALA 63 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3c9p h PRO 64 N 5.11 0.21 -0.83 0.00 0.13 -1.84 -3.43 132.00 131.35 3c9p h PRO 64 Ca -0.45 -0.11 0.01 0.00 -0.87 0.00 0.00 66.00 64.57 3c9p h PRO 64 Cb 1.28 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 32.23 3c9p h PRO 64 CO 0.82 0.65 -0.35 -0.47 -0.23 0.00 0.00 178.00 178.43 3c9p s TYR 65 N -3.99 -1.48 0.20 1.56 6.14 -0.40 -5.01 117.35 114.38 3c9p s TYR 65 Ca -0.04 0.44 -0.30 0.00 0.64 0.00 0.00 57.07 57.81 3c9p s TYR 65 Cb 0.13 0.27 -0.09 0.00 0.42 0.00 0.00 41.96 42.69 3c9p s TYR 65 CO 0.78 -0.95 1.35 0.71 0.64 0.00 0.00 175.55 178.07 3c9p s TYR 66 N 2.20 3.20 0.19 4.97 2.02 -1.24 -3.01 117.35 125.68 3c9p s TYR 66 Ca 0.15 1.14 -0.30 0.00 -0.37 0.00 0.00 57.07 57.69 3c9p s TYR 66 Cb -0.04 -3.67 -0.08 0.00 -0.40 0.00 0.00 41.96 37.77 3c9p s TYR 66 CO -0.14 -2.14 1.16 0.54 -1.57 0.00 0.00 175.55 173.40 3c9p s VAL 67 N 0.20 3.64 0.40 0.71 0.11 -0.82 -4.93 120.40 119.72 3c9p s VAL 67 Ca 0.58 1.41 0.11 0.00 -2.93 0.00 0.00 61.98 61.15 3c9p s VAL 67 Cb -0.38 -3.90 0.32 0.00 -1.53 0.00 0.00 36.38 30.89 3c9p s VAL 67 CO 0.38 0.24 1.95 -0.65 -3.33 0.00 0.00 175.10 173.69 3c9p h PRO 68 N 5.10 0.54 0.00 1.54 0.11 -1.93 -2.37 132.00 134.98 3c9p h PRO 68 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3c9p h PRO 68 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3c9p h PRO 68 CO 0.73 0.36 0.00 0.39 -0.21 0.00 0.00 178.00 179.27 3c9p n GLU 69 N -4.49 0.31 0.27 1.05 4.71 -1.26 -2.94 120.64 118.29 3c9p n GLU 69 Ca 0.12 0.10 0.17 0.00 -0.01 0.00 0.00 57.16 57.54 3c9p n GLU 69 Cb 0.36 -1.50 0.72 0.00 -1.01 0.00 0.00 31.44 30.01 3c9p n GLU 69 CO 0.00 0.00 0.00 0.07 0.09 0.00 0.00 177.13 177.29 3c9p h ARG 70 N 0.00 0.00 0.00 3.49 0.11 -1.76 -1.90 114.38 114.32 3c9p h ARG 70 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 3c9p h ARG 70 Cb 0.12 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.20 3c9p h ARG 70 CO 0.00 0.00 -0.11 0.82 0.10 0.00 0.00 179.97 180.78 3c9p h ILE 71 N 0.00 0.69 0.00 0.08 1.08 -1.77 -1.77 117.51 115.81 3c9p h ILE 71 Ca 0.00 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 3c9p h ILE 71 Cb 0.44 1.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 3c9p h ILE 71 CO 0.00 0.11 0.00 0.00 -0.69 0.00 0.00 178.15 177.57 3c9p n ALA 72 N -2.34 2.22 -2.32 1.87 0.00 -0.71 -4.51 120.51 114.71 3c9p n ALA 72 Ca -0.02 -0.09 -0.35 0.00 0.00 0.00 0.00 53.44 52.98 3c9p n ALA 72 Cb 0.21 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.20 3c9p n ALA 72 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3c9p s ILE 73 N -2.97 3.75 0.46 0.00 1.01 -0.67 -4.94 121.20 117.85 3c9p s ILE 73 Ca 0.14 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 59.95 3c9p s ILE 73 Cb 0.17 -4.68 -0.02 0.00 0.01 0.00 0.00 42.46 37.95 3c9p s ILE 73 CO 0.48 -1.48 0.24 0.42 0.00 0.00 0.00 174.94 174.59 3c9p s THR 74 N 7.50 1.99 0.00 2.92 -4.23 -1.26 -4.64 115.64 117.91 3c9p s THR 74 Ca 0.59 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 3c9p s THR 74 Cb -0.01 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3c9p s THR 74 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 3c9p n GLY 75 N -1.42 -1.02 3.85 3.99 0.00 -1.26 -4.93 105.19 104.40 3c9p n GLY 75 Ca -0.03 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.51 3c9p n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3c9p s LYS 76 N 0.00 3.29 -0.10 1.61 -0.14 -1.26 -1.02 119.74 122.13 3c9p s LYS 76 Ca 0.00 -0.35 -0.30 0.00 -1.36 0.00 0.00 55.97 53.96 3c9p s LYS 76 Cb 0.00 -3.02 0.07 0.00 -1.68 0.00 0.00 37.83 33.21 3c9p s LYS 76 CO 0.00 0.68 0.70 -1.50 -0.76 0.00 0.00 175.35 174.48 3c9p s ILE 77 N -1.22 0.00 -0.81 2.17 1.10 -0.75 -4.93 121.20 116.76 3c9p s ILE 77 Ca 0.24 0.00 -0.03 0.00 -0.51 0.00 0.00 60.65 60.35 3c9p s ILE 77 Cb -0.12 -1.00 0.02 0.00 0.15 0.00 0.00 42.46 41.51 3c9p s ILE 77 CO 0.14 0.00 0.12 0.00 -2.11 0.00 0.00 174.94 173.10 3c9p n GLY 79 N -0.80 1.19 3.25 0.00 0.00 -1.26 -5.05 105.19 102.52 3c9p n GLY 79 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 3c9p n GLY 79 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3c9p s VAL 80 N -2.61 1.19 -0.25 1.61 -7.23 -0.44 -5.11 120.40 107.56 3c9p s VAL 80 Ca 0.00 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.92 3c9p s VAL 80 Cb 0.00 -1.79 -0.00 0.00 0.56 0.00 0.00 36.38 35.15 3c9p s VAL 80 CO 0.00 -0.69 0.85 -0.60 -0.31 0.00 0.00 175.10 174.34 3c9p s ARG 81 N -3.56 4.15 0.11 4.82 3.52 -1.26 -1.81 118.95 124.92 3c9p s ARG 81 Ca 0.15 0.93 -0.20 0.00 -0.13 0.00 0.00 55.73 56.48 3c9p s ARG 81 Cb 0.01 -3.66 -0.07 0.00 -1.56 0.00 0.00 34.95 29.67 3c9p s ARG 81 CO 0.01 -0.56 1.71 0.82 -0.81 0.00 0.00 175.30 176.47 3c9p h ILE 82 N 5.47 1.11 0.00 4.11 2.04 -1.42 -1.38 117.51 127.43 3c9p h ILE 82 Ca -0.23 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3c9p h ILE 82 Cb 1.09 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3c9p h ILE 82 CO 0.89 0.11 0.00 -1.84 0.00 0.00 0.00 178.15 177.30 3c9p n GLU 83 N -4.88 0.15 -0.18 2.37 0.00 -1.26 -1.89 120.64 114.95 3c9p n GLU 83 Ca -0.03 0.53 0.11 0.00 0.00 0.00 0.00 57.16 57.76 3c9p n GLU 83 Cb 0.07 -1.89 0.20 0.00 0.00 0.00 0.00 31.44 29.83 3c9p n GLU 83 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3c9p n GLU 84 N -2.19 2.41 -2.38 3.44 1.02 -0.53 -4.95 120.64 117.46 3c9p n GLU 84 Ca 0.00 -2.21 -0.43 0.00 -0.02 0.00 0.00 57.16 54.50 3c9p n GLU 84 Cb 0.12 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 3c9p n GLU 84 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3c9p s ILE 85 N -1.39 4.21 0.07 -3.67 1.01 -0.79 -4.93 121.20 115.70 3c9p s ILE 85 Ca 0.36 1.45 -0.16 0.00 0.00 0.00 0.00 60.65 62.30 3c9p s ILE 85 Cb 0.21 -3.95 -0.16 0.00 0.01 0.00 0.00 42.46 38.57 3c9p s ILE 85 CO 0.29 -0.15 1.28 0.44 0.00 0.00 0.00 174.94 176.81 3c9p h ASP 86 N 8.40 0.72 -2.83 3.58 3.32 -1.92 -3.43 116.42 124.27 3c9p h ASP 86 Ca -0.28 -0.61 -0.57 0.00 0.02 0.00 0.00 57.03 55.60 3c9p h ASP 86 Cb 1.11 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 3c9p h ASP 86 CO 0.97 1.21 1.11 -0.62 -1.72 0.00 0.00 179.24 180.19 3c9p s ASP 87 N -6.76 6.41 0.40 6.45 -1.08 -1.26 -4.90 116.67 115.93 3c9p s ASP 87 Ca -0.12 1.54 0.12 0.00 -0.52 0.00 0.00 52.55 53.57 3c9p s ASP 87 Cb 0.07 -2.53 0.83 0.00 -1.46 0.00 0.00 42.92 39.82 3c9p s ASP 87 CO 0.85 -1.25 1.90 1.55 0.52 0.00 0.00 175.17 178.74 3c9p h PRO 88 N 10.57 0.07 -1.08 4.34 0.13 -2.03 -0.78 132.00 143.22 3c9p h PRO 88 Ca -0.32 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3c9p h PRO 88 Cb 1.14 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3c9p h PRO 88 CO 1.01 0.31 0.00 -0.11 -0.23 0.00 0.00 178.00 178.98 3c9p n LEU 89 N -4.22 1.26 0.00 1.56 7.94 -1.26 -2.59 117.00 119.68 3c9p n LEU 89 Ca -0.02 -0.63 0.00 0.00 -1.11 0.00 0.00 56.01 54.25 3c9p n LEU 89 Cb 0.32 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 43.98 3c9p n LEU 89 CO 0.38 0.23 0.00 1.67 -1.11 0.00 0.00 177.39 178.56 3c9p n GLN 91 N 0.51 0.00 -0.21 1.96 7.27 -0.30 -2.10 117.38 124.51 3c9p n GLN 91 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.99 3c9p n GLN 91 Cb 0.23 0.00 0.04 0.00 2.41 0.00 0.00 30.24 32.92 3c9p n GLN 91 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 3c9p h GLU 92 N 0.00 1.07 -0.46 3.69 4.39 -1.79 -1.12 114.58 120.36 3c9p h GLU 92 Ca 0.00 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.37 3c9p h GLU 92 Cb 0.00 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 3c9p h GLU 92 CO 0.00 1.03 0.26 0.82 -1.16 0.00 0.00 179.01 179.96 3c9p h ILE 93 N 0.99 1.16 0.00 3.13 2.04 -1.72 -1.88 117.51 121.23 3c9p h ILE 93 Ca 0.18 -0.38 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 3c9p h ILE 93 Cb 0.52 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3c9p h ILE 93 CO 0.03 0.16 -0.55 0.03 0.00 0.00 0.00 178.15 177.82 3c9p h ARG 94 N 0.61 0.00 -0.64 2.37 2.47 -1.79 -1.72 114.38 115.68 3c9p h ARG 94 Ca 0.16 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.83 3c9p h ARG 94 Cb 0.03 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.32 3c9p h ARG 94 CO -0.03 0.55 0.20 0.00 0.56 0.00 0.00 179.97 181.25 3c9p h ARG 95 N 0.00 0.99 -0.80 0.04 3.08 -0.84 -1.35 114.38 115.50 3c9p h ARG 95 Ca -0.01 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 59.84 3c9p h ARG 95 Cb 0.98 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.85 3c9p h ARG 95 CO 0.07 0.87 0.52 1.25 -1.07 0.00 0.00 179.97 181.62 3c9p h LEU 96 N 0.92 0.92 -1.05 3.04 5.85 -0.95 -1.99 115.31 122.04 3c9p h LEU 96 Ca 0.21 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.96 3c9p h LEU 96 Cb 0.29 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 3c9p h LEU 96 CO -0.01 0.67 0.63 0.44 -0.34 0.00 0.00 178.44 179.84 3c9p h ASP 97 N 1.08 1.01 -0.43 1.25 3.32 -0.90 -0.53 116.42 121.22 3c9p h ASP 97 Ca 0.29 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 3c9p h ASP 97 Cb -0.12 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.20 3c9p h ASP 97 CO -0.06 0.66 0.14 0.50 -1.72 0.00 0.00 179.24 178.76 3c9p h LYS 98 N 1.15 0.67 -0.82 3.56 1.63 -0.86 0.96 116.57 122.86 3c9p h LYS 98 Ca 0.41 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 60.04 3c9p h LYS 98 Cb 0.14 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.63 3c9p h LYS 98 CO -0.15 0.65 0.39 -0.07 -3.45 0.00 0.00 179.45 176.82 3c9p h LEU 99 N 0.56 1.07 -0.57 5.20 3.38 -0.62 -1.93 115.31 122.41 3c9p h LEU 99 Ca 0.14 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 3c9p h LEU 99 Cb 0.26 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3c9p h LEU 99 CO -0.01 0.90 -0.58 0.58 0.09 0.00 0.00 178.44 179.43 3c9p h VAL 100 N 1.17 1.35 -0.73 1.22 2.07 -1.00 -2.70 116.25 117.62 3c9p h VAL 100 Ca 0.28 -1.88 0.02 0.00 0.82 0.00 0.00 66.70 65.93 3c9p h VAL 100 Cb 0.12 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 3c9p h VAL 100 CO -0.03 0.57 0.48 -0.78 0.02 0.00 0.00 177.57 177.83 3c9p h ASP 101 N 0.32 0.81 -0.65 0.57 3.58 -0.24 -0.38 116.42 120.43 3c9p h ASP 101 Ca -0.00 -0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.51 3c9p h ASP 101 Cb 1.11 -0.19 -0.06 0.00 1.72 0.00 0.00 39.33 41.91 3c9p h ASP 101 CO 0.10 0.58 0.33 -0.50 -2.88 0.00 0.00 179.24 176.87 3c9p h TRP 102 N 0.96 0.59 -0.67 0.28 4.06 -1.12 -0.54 115.95 119.52 3c9p h TRP 102 Ca 0.28 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 61.25 3c9p h TRP 102 Cb -0.07 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 27.89 3c9p h TRP 102 CO -0.03 0.24 0.40 -0.07 -3.56 0.00 0.00 178.44 175.43 3c9p h LEU 103 N 0.59 0.80 -1.72 -4.49 3.38 -1.06 -1.96 115.31 110.85 3c9p h LEU 103 Ca 0.31 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 3c9p h LEU 103 Cb 0.27 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3c9p h LEU 103 CO -0.23 0.63 -0.17 0.00 0.09 0.00 0.00 178.44 178.76 3c9p h ALA 104 N 1.21 1.37 -0.28 1.53 0.00 -0.61 -1.03 119.26 121.45 3c9p h ALA 104 Ca 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3c9p h ALA 104 Cb -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3c9p h ALA 104 CO -0.04 0.22 0.00 1.63 0.00 0.00 0.00 179.25 181.05 3c9p n LYS 105 N -3.84 1.76 0.00 0.00 5.02 -0.25 -4.83 118.16 116.02 3c9p n LYS 105 Ca -0.02 -1.17 0.00 0.00 -2.02 0.00 0.00 58.31 55.10 3c9p n LYS 105 Cb 0.27 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 3c9p n LYS 105 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3c9p n GLY 106 N 1.07 0.69 3.79 0.72 0.00 -0.39 -5.04 105.19 106.04 3c9p n GLY 106 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3c9p n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3c9p s LYS 107 N -0.94 4.04 0.75 1.61 -0.14 -0.79 -5.00 119.74 119.27 3c9p s LYS 107 Ca 0.00 1.40 -0.10 0.00 -1.36 0.00 0.00 55.97 55.91 3c9p s LYS 107 Cb 0.00 -2.33 0.05 0.00 -1.68 0.00 0.00 37.83 33.87 3c9p s LYS 107 CO 0.00 -0.23 1.11 0.95 -0.76 0.00 0.00 175.35 176.42 3c9p s THR 108 N -1.84 2.54 0.27 2.17 -4.23 -1.26 -4.41 115.64 108.89 3c9p s THR 108 Ca 0.62 0.07 -0.01 0.00 -1.18 0.00 0.00 61.69 61.19 3c9p s THR 108 Cb -0.18 -3.15 0.11 0.00 1.34 0.00 0.00 72.50 70.62 3c9p s THR 108 CO 0.23 -0.19 1.77 0.77 -0.54 0.00 0.00 174.62 176.65 3c9p h SER 109 N -0.81 0.68 -0.81 3.99 4.64 -1.97 -1.54 113.55 117.73 3c9p h SER 109 Ca -0.45 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 60.68 3c9p h SER 109 Cb 1.30 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 63.17 3c9p h SER 109 CO 0.64 0.78 0.45 1.56 -0.87 0.00 0.00 176.83 179.39 3c9p h GLN 110 N 0.66 1.13 -0.64 4.77 4.20 -1.96 -0.75 115.11 122.52 3c9p h GLN 110 Ca 0.13 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 3c9p h GLN 110 Cb 0.47 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3c9p h GLN 110 CO 0.02 0.83 0.21 1.96 -0.67 0.00 0.00 178.83 181.18 3c9p h GLN 111 N 1.13 0.97 -0.07 1.46 4.20 -1.83 0.32 115.11 121.28 3c9p h GLN 111 Ca 0.29 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3c9p h GLN 111 Cb 0.02 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 3c9p h GLN 111 CO -0.05 0.83 0.02 0.28 -0.67 0.00 0.00 178.83 179.25 3c9p h VAL 112 N 0.94 1.17 -0.77 -0.54 2.07 -0.92 -1.44 116.25 116.77 3c9p h VAL 112 Ca 0.21 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3c9p h VAL 112 Cb 0.26 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3c9p h VAL 112 CO -0.01 0.14 0.49 -0.07 0.02 0.00 0.00 177.57 178.14 3c9p h LEU 113 N -0.07 0.90 -1.66 2.57 4.07 -1.03 -2.45 115.31 117.63 3c9p h LEU 113 Ca 0.02 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 3c9p h LEU 113 Cb 0.21 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 3c9p h LEU 113 CO -0.00 0.67 0.05 -0.33 -1.08 0.00 0.00 178.44 177.75 3c9p h GLU 114 N 1.04 0.26 -0.74 1.13 5.08 -0.79 0.16 114.58 120.73 3c9p h GLU 114 Ca 0.28 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3c9p h GLU 114 Cb -0.09 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 3c9p h GLU 114 CO -0.06 0.25 0.39 -0.22 -1.00 0.00 0.00 179.01 178.37 3c9p h LYS 115 N 0.26 1.03 0.00 2.33 3.64 -0.77 -3.31 116.57 119.75 3c9p h LYS 115 Ca 0.07 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3c9p h LYS 115 Cb 0.10 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3c9p h LYS 115 CO -0.00 0.76 -1.20 0.66 -2.27 0.00 0.00 179.45 177.40 3c9p n TYR 116 N -4.35 0.00 -2.14 1.91 4.01 -0.66 -4.90 117.16 111.03 3c9p n TYR 116 Ca 0.07 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.39 3c9p n TYR 116 Cb 0.11 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 38.93 3c9p n TYR 116 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3c9p s GLU 117 N -2.57 4.09 -0.11 -0.72 2.12 0.47 -4.82 118.70 117.16 3c9p s GLU 117 Ca -0.01 1.92 -0.01 0.00 0.36 0.00 0.00 54.97 57.22 3c9p s GLU 117 Cb 0.08 -3.94 -0.03 0.00 0.26 0.00 0.00 34.13 30.50 3c9p s GLU 117 CO 0.49 -0.93 -0.08 0.15 -0.54 0.00 0.00 175.26 174.36 3c9p s LYS 118 N 4.07 3.19 0.08 4.30 -0.14 -1.26 -4.92 119.74 125.06 3c9p s LYS 118 Ca 0.68 -0.58 0.07 0.00 -1.36 0.00 0.00 55.97 54.78 3c9p s LYS 118 Cb -0.28 -2.70 -0.04 0.00 -1.68 0.00 0.00 37.83 33.13 3c9p s LYS 118 CO 0.26 0.42 -0.11 -1.01 -0.76 0.00 0.00 175.35 174.15 3c9p s HIS 119 N -0.16 2.73 -2.00 3.18 3.76 -1.26 -5.13 115.29 116.42 3c9p s HIS 119 Ca 0.02 -0.15 0.05 0.00 -0.15 0.00 0.00 55.06 54.82 3c9p s HIS 119 Cb -0.13 -1.46 0.28 0.00 1.11 0.00 0.00 32.58 32.38 3c9p s HIS 119 CO 0.03 0.40 0.76 1.63 -0.85 0.00 0.00 174.74 176.70