#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0q s ALA 2 N 0.00 -0.99 -1.22 -5.12 0.00 -1.26 -4.90 121.76 108.27 2p0q s ALA 2 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2p0q s ALA 2 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2p0q s ALA 2 CO 0.00 -0.25 0.48 0.43 0.00 0.00 0.00 175.76 176.41 2p0q n SER 3 N 1.72 0.61 0.25 0.00 7.64 -1.26 -3.99 113.62 118.58 2p0q n SER 3 Ca -0.19 -1.56 0.13 0.00 1.01 0.00 0.00 58.87 58.26 2p0q n SER 3 Cb 0.56 -0.30 0.60 0.00 -1.01 0.00 0.00 64.21 64.06 2p0q n SER 3 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2p0q h VAL 4 N 0.00 0.40 -3.72 0.44 3.04 -1.95 -3.46 116.25 111.00 2p0q h VAL 4 Ca 0.00 -0.81 -0.57 0.00 -1.01 0.00 0.00 66.70 64.31 2p0q h VAL 4 Cb 0.30 1.59 0.16 0.00 -2.01 0.00 0.00 31.29 31.33 2p0q h VAL 4 CO 0.00 0.14 0.26 -1.84 -1.01 0.00 0.00 177.57 175.12 2p0q n GLU 5 N -3.35 1.05 -0.17 4.17 0.28 -1.26 -4.93 120.64 116.42 2p0q n GLU 5 Ca -0.00 0.40 -0.07 0.00 -0.16 0.00 0.00 57.16 57.33 2p0q n GLU 5 Cb 0.35 -2.29 0.02 0.00 1.43 0.00 0.00 31.44 30.95 2p0q n GLU 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2p0q h ARG 6 N 0.64 0.69 -1.67 3.44 3.08 -1.98 -3.48 114.38 115.11 2p0q h ARG 6 Ca -0.49 -0.06 0.26 0.00 0.07 0.00 0.00 59.98 59.75 2p0q h ARG 6 Cb 1.35 -0.14 -0.14 0.00 0.08 0.00 0.00 29.97 31.12 2p0q h ARG 6 CO 0.52 0.51 0.74 0.34 -1.07 0.00 0.00 179.97 181.01 2p0q s ASP 7 N -5.75 -0.13 0.54 7.04 2.15 -1.26 -5.02 116.67 114.24 2p0q s ASP 7 Ca -0.13 -0.12 0.28 0.00 0.43 0.00 0.00 52.55 53.01 2p0q s ASP 7 Cb 0.12 0.23 1.51 0.00 -0.30 0.00 0.00 42.92 44.48 2p0q s ASP 7 CO 0.75 -0.40 1.83 1.05 -0.17 0.00 0.00 175.17 178.23 2p0q h GLU 8 N 2.00 0.00 -1.06 4.34 4.11 -2.02 -0.85 114.58 121.11 2p0q h GLU 8 Ca -0.22 0.00 0.29 0.00 0.07 0.00 0.00 59.36 59.50 2p0q h GLU 8 Cb 1.20 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.33 2p0q h GLU 8 CO 0.26 0.00 0.65 1.15 0.07 0.00 0.00 179.01 181.14 2p0q h THR 9 N 0.00 0.43 0.00 -1.06 2.02 -1.98 -1.05 112.91 111.27 2p0q h THR 9 Ca 0.00 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 2p0q h THR 9 Cb 0.43 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2p0q h THR 9 CO 0.00 0.07 -0.00 0.03 0.37 0.00 0.00 175.52 175.99 2p0q h ARG 10 N 0.40 -0.00 -0.78 6.66 2.47 -1.56 0.27 114.38 121.83 2p0q h ARG 10 Ca 0.66 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 59.42 2p0q h ARG 10 Cb 1.59 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.86 2p0q h ARG 10 CO -0.42 0.22 0.50 0.93 0.56 0.00 0.00 179.97 181.75 2p0q h GLU 11 N -0.22 0.94 -0.15 0.04 4.39 -1.50 -0.41 114.58 117.67 2p0q h GLU 11 Ca -0.00 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2p0q h GLU 11 Cb 0.22 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2p0q h GLU 11 CO 0.00 0.62 0.03 0.45 -1.16 0.00 0.00 179.01 178.95 2p0q h HIS 12 N 0.97 0.27 -0.82 4.33 3.86 -1.08 -1.48 115.15 121.19 2p0q h HIS 12 Ca 0.31 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.48 2p0q h HIS 12 Cb 0.01 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 2p0q h HIS 12 CO -0.03 0.41 0.49 0.00 0.86 0.00 0.00 177.93 179.66 2p0q h ARG 13 N 0.04 1.11 0.62 2.45 2.47 -0.55 0.70 114.38 121.22 2p0q h ARG 13 Ca 0.05 -0.10 -0.02 0.00 -1.26 0.00 0.00 59.98 58.64 2p0q h ARG 13 Cb 0.28 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 2p0q h ARG 13 CO 0.00 0.78 -0.50 0.82 0.56 0.00 0.00 179.97 181.63 2p0q h ILE 14 N 1.13 0.00 -0.29 2.04 2.04 -0.98 -1.04 117.51 120.41 2p0q h ILE 14 Ca 0.29 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.07 2p0q h ILE 14 Cb -0.04 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.02 2p0q h ILE 14 CO -0.06 0.00 -0.19 -0.08 0.00 0.00 0.00 178.15 177.82 2p0q h GLU 15 N -1.09 0.53 -0.12 2.37 4.81 -0.89 -0.58 114.58 119.60 2p0q h GLU 15 Ca -0.08 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2p0q h GLU 15 Cb 0.92 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.25 2p0q h GLU 15 CO 0.00 0.70 0.00 0.25 -0.73 0.00 0.00 179.01 179.23 2p0q n THR 16 N -4.15 0.22 0.00 0.32 -2.24 0.21 -2.94 114.28 105.70 2p0q n THR 16 Ca 0.00 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2p0q n THR 16 Cb 0.38 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 2p0q n THR 16 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2p0q n GLU 17 N 0.85 0.00 0.01 -0.78 2.13 -0.46 -4.77 120.64 117.61 2p0q n GLU 17 Ca 0.10 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.75 2p0q n GLU 17 Cb 0.40 -0.12 -0.13 0.00 0.27 0.00 0.00 31.44 31.86 2p0q n GLU 17 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2p0q h ILE 18 N 0.00 1.55 0.00 6.31 2.04 -0.62 -3.38 117.51 123.42 2p0q h ILE 18 Ca 0.00 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.55 2p0q h ILE 18 Cb 0.00 3.04 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 2p0q h ILE 18 CO 0.00 0.64 -0.02 2.30 0.00 0.00 0.00 178.15 181.07 2p0q n ILE 19 N -4.30 1.19 -0.17 -0.67 -5.35 -0.30 -3.92 119.36 105.85 2p0q n ILE 19 Ca -0.12 -1.33 0.13 0.00 -0.27 0.00 0.00 62.75 61.16 2p0q n ILE 19 Cb 0.68 0.28 0.46 0.00 -1.74 0.00 0.00 39.64 39.31 2p0q n ILE 19 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 2p0q h VAL 20 N 0.55 0.85 0.00 7.28 3.04 -1.66 -1.10 116.25 125.21 2p0q h VAL 20 Ca 0.00 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 2p0q h VAL 20 Cb 0.76 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 2p0q h VAL 20 CO 0.00 0.09 -0.09 -0.67 -1.01 0.00 0.00 177.57 175.89 2p0q n ASP 21 N -4.49 0.64 -4.36 3.17 2.03 -1.26 -4.91 116.55 107.36 2p0q n ASP 21 Ca 0.14 0.48 -0.30 0.00 0.52 0.00 0.00 54.79 55.63 2p0q n ASP 21 Cb 0.45 -0.59 0.16 0.00 -0.72 0.00 0.00 41.12 40.41 2p0q n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2p0q s ALA 22 N -3.09 2.20 0.00 -1.67 0.00 -0.42 -5.03 121.76 113.76 2p0q s ALA 22 Ca 0.11 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2p0q s ALA 22 Cb 0.14 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.41 2p0q s ALA 22 CO 0.60 -2.30 0.00 -1.91 0.00 0.00 0.00 175.76 172.15 2p0q n GLU 23 N -3.72 0.00 -4.59 0.00 2.13 -1.26 -4.98 120.64 108.22 2p0q n GLU 23 Ca 0.12 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.67 2p0q n GLU 23 Cb 0.60 -0.08 -0.10 0.00 0.27 0.00 0.00 31.44 32.14 2p0q n GLU 23 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2p0q s ASP 24 N -3.22 3.37 0.24 4.31 2.15 -1.26 -4.95 116.67 117.31 2p0q s ASP 24 Ca 0.00 -1.48 -0.04 0.00 0.43 0.00 0.00 52.55 51.46 2p0q s ASP 24 Cb 0.00 0.03 0.44 0.00 -0.30 0.00 0.00 42.92 43.09 2p0q s ASP 24 CO 0.00 -0.65 1.74 0.11 -0.17 0.00 0.00 175.17 176.20 2p0q h LYS 25 N 1.77 0.47 -0.46 4.34 1.79 -1.98 0.68 116.57 123.18 2p0q h LYS 25 Ca -0.42 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 57.89 2p0q h LYS 25 Cb 1.26 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.79 2p0q h LYS 25 CO 0.73 0.31 -0.22 0.93 -1.08 0.00 0.00 179.45 180.12 2p0q h GLU 26 N 0.49 0.94 -0.20 3.15 5.08 -1.97 -0.70 114.58 121.38 2p0q h GLU 26 Ca 0.41 -0.40 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 2p0q h GLU 26 Cb 0.58 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2p0q h GLU 26 CO -0.37 1.06 -0.47 0.93 -1.00 0.00 0.00 179.01 179.16 2p0q h GLU 27 N 0.81 0.51 -0.43 2.33 4.39 -1.58 -1.37 114.58 119.24 2p0q h GLU 27 Ca 0.11 -0.29 -0.07 0.00 0.34 0.00 0.00 59.36 59.45 2p0q h GLU 27 Cb 0.79 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 2p0q h GLU 27 CO 0.07 0.87 -0.02 0.00 -1.16 0.00 0.00 179.01 178.77 2p0q h ARG 28 N 0.41 0.78 -0.63 2.33 3.08 -0.53 0.13 114.38 119.95 2p0q h ARG 28 Ca 0.02 -0.26 0.01 0.00 0.07 0.00 0.00 59.98 59.82 2p0q h ARG 28 Cb 0.98 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 2p0q h ARG 28 CO 0.09 0.86 0.42 0.00 -1.07 0.00 0.00 179.97 180.26 2p0q h ALA 29 N 0.89 0.80 -0.36 0.04 0.00 -1.04 -2.32 119.26 117.27 2p0q h ALA 29 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2p0q h ALA 29 Cb 0.52 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2p0q h ALA 29 CO 0.03 0.22 -0.11 0.52 0.00 0.00 0.00 179.25 179.91 2p0q h MET 30 N 0.85 0.63 -0.08 0.00 2.86 -0.91 -0.39 114.93 117.89 2p0q h MET 30 Ca 0.23 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 2p0q h MET 30 Cb -0.09 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 2p0q h MET 30 CO -0.05 0.72 -0.08 0.78 1.06 0.00 0.00 176.91 179.34 2p0q h GLY 31 N 0.96 -0.02 0.77 8.32 0.00 -0.35 -0.20 103.07 112.54 2p0q h GLY 31 Ca 0.10 0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.56 2p0q h GLY 31 CO 0.03 -0.10 0.07 1.49 0.00 0.00 0.00 176.54 178.04 2p0q h TRP 32 N -0.11 0.13 0.19 5.60 4.06 -1.24 -2.00 115.95 122.57 2p0q h TRP 32 Ca 0.06 0.01 0.01 0.00 2.06 0.00 0.00 58.89 61.03 2p0q h TRP 32 Cb 0.20 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.32 2p0q h TRP 32 CO -0.19 0.05 -0.20 -0.92 -3.56 0.00 0.00 178.44 173.63 2p0q h TYR 33 N 0.18 -0.52 -0.06 0.49 3.20 -0.43 -0.93 116.97 118.90 2p0q h TYR 33 Ca 0.11 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.83 2p0q h TYR 33 Cb 0.09 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 2p0q h TYR 33 CO -0.14 -0.30 -0.64 1.88 -1.64 0.00 0.00 178.16 177.32 2p0q h TYR 34 N -0.43 0.32 -0.27 -3.82 0.05 -1.06 0.20 116.97 111.97 2p0q h TYR 34 Ca 0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 2p0q h TYR 34 Cb 0.40 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 2p0q h TYR 34 CO -0.16 0.82 0.14 -0.92 -1.05 0.00 0.00 178.16 176.99 2p0q h TYR 35 N 0.18 0.38 -0.37 4.88 3.20 -1.16 -0.99 116.97 123.08 2p0q h TYR 35 Ca -0.01 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.76 2p0q h TYR 35 Cb 1.16 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 2p0q h TYR 35 CO 0.02 0.34 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.73 2p0q h LEU 36 N 0.31 0.72 -1.72 2.82 4.07 -0.98 -1.28 115.31 119.25 2p0q h LEU 36 Ca 0.09 -0.36 0.01 0.00 0.08 0.00 0.00 57.88 57.70 2p0q h LEU 36 Cb 0.09 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 2p0q h LEU 36 CO -0.01 0.91 0.20 -0.78 -1.08 0.00 0.00 178.44 177.68 2p0q h ASP 37 N 0.51 0.33 1.70 -0.43 3.58 -0.86 0.67 116.42 121.91 2p0q h ASP 37 Ca 0.09 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 2p0q h ASP 37 Cb 0.60 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 2p0q h ASP 37 CO 0.04 0.23 -0.31 -0.78 -2.88 0.00 0.00 179.24 175.54 2p0q h ASP 38 N 0.38 0.00 0.00 2.28 3.58 -0.86 -3.39 116.42 118.41 2p0q h ASP 38 Ca 0.12 0.00 -0.43 0.00 0.42 0.00 0.00 57.03 57.14 2p0q h ASP 38 Cb 0.00 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 40.98 2p0q h ASP 38 CO -0.03 0.21 -2.50 0.41 -2.88 0.00 0.00 179.24 174.45 2p0q n THR 39 N -3.11 1.49 -2.15 2.25 -1.04 -0.51 -4.94 114.28 106.27 2p0q n THR 39 Ca 0.02 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.05 61.16 2p0q n THR 39 Cb 0.62 -1.69 -0.03 0.00 -1.82 0.00 0.00 70.33 67.42 2p0q n THR 39 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2p0q s LEU 40 N -7.09 4.31 -0.52 -4.42 1.43 0.13 -4.38 118.68 108.13 2p0q s LEU 40 Ca -0.37 2.15 -0.05 0.00 -1.03 0.00 0.00 54.13 54.84 2p0q s LEU 40 Cb 0.12 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.80 2p0q s LEU 40 CO 0.52 -0.80 2.87 -0.62 0.23 0.00 0.00 176.35 178.55 2p0q n GLU 41 N 6.02 2.66 -1.16 1.70 1.02 -1.26 -4.94 120.64 124.68 2p0q n GLU 41 Ca 0.15 -2.26 -0.33 0.00 -0.02 0.00 0.00 57.16 54.70 2p0q n GLU 41 Cb 0.43 -2.20 0.12 0.00 -0.02 0.00 0.00 31.44 29.77 2p0q n GLU 41 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2p0q s PHE 42 N -1.09 1.97 0.45 -0.32 -0.12 -1.26 -4.39 117.98 113.22 2p0q s PHE 42 Ca 0.60 1.66 -0.24 0.00 -0.05 0.00 0.00 56.93 58.91 2p0q s PHE 42 Cb 0.34 -3.37 -0.08 0.00 -0.63 0.00 0.00 43.02 39.29 2p0q s PHE 42 CO -0.17 -2.56 1.21 -1.25 -0.05 0.00 0.00 175.22 172.41 2p0q s PRO 43 N -4.30 3.79 0.10 1.99 0.04 -1.26 -4.98 135.00 130.38 2p0q s PRO 43 Ca 0.70 1.91 -0.09 0.00 0.04 0.00 0.00 61.00 63.57 2p0q s PRO 43 Cb -0.25 -2.52 -0.00 0.00 0.04 0.00 0.00 34.50 31.77 2p0q s PRO 43 CO 0.51 -0.56 0.20 -0.59 0.04 0.00 0.00 177.00 176.59 2p0q s PHE 44 N -1.43 0.18 0.16 0.56 -0.12 -0.37 -5.00 117.98 111.95 2p0q s PHE 44 Ca 0.62 -0.61 -0.17 0.00 -0.05 0.00 0.00 56.93 56.72 2p0q s PHE 44 Cb -0.32 -0.06 -0.07 0.00 -0.63 0.00 0.00 43.02 41.93 2p0q s PHE 44 CO 0.40 -0.56 0.62 1.41 -0.05 0.00 0.00 175.22 177.03 2p0q s MET 45 N -3.87 4.13 0.22 1.99 -2.45 -1.26 -0.07 119.30 117.99 2p0q s MET 45 Ca 0.06 0.68 -0.14 0.00 -1.25 0.00 0.00 55.69 55.04 2p0q s MET 45 Cb 0.05 -2.99 0.01 0.00 1.25 0.00 0.00 34.83 33.15 2p0q s MET 45 CO -0.10 0.49 0.48 0.20 1.05 0.00 0.00 175.02 177.14 2p0q s GLY 46 N -1.55 0.30 -0.19 2.11 0.00 0.09 -0.53 107.32 107.55 2p0q s GLY 46 Ca 0.38 -0.65 -0.14 0.00 0.00 0.00 0.00 44.72 44.30 2p0q s GLY 46 CO 0.20 -0.51 0.31 1.25 0.00 0.00 0.00 173.10 174.35 2p0q s LYS 47 N -3.96 4.20 -0.65 2.90 2.47 0.48 -0.93 119.74 124.25 2p0q s LYS 47 Ca 0.17 0.08 -0.25 0.00 -1.56 0.00 0.00 55.97 54.41 2p0q s LYS 47 Cb -0.01 -3.49 0.05 0.00 -1.46 0.00 0.00 37.83 32.92 2p0q s LYS 47 CO 0.04 0.10 1.09 -0.46 0.16 0.00 0.00 175.35 176.29 2p0q s TRP 48 N 0.90 2.56 -1.30 4.03 -0.11 0.56 -1.51 118.94 124.07 2p0q s TRP 48 Ca 0.16 -0.14 -0.08 0.00 1.22 0.00 0.00 56.10 57.26 2p0q s TRP 48 Cb -0.14 -4.38 0.15 0.00 -1.50 0.00 0.00 33.47 27.60 2p0q s TRP 48 CO 0.05 -1.72 2.07 1.63 -4.62 0.00 0.00 176.95 174.37 2p0q n LYS 49 N 8.30 4.00 -1.91 5.86 5.02 0.10 -1.52 118.16 138.01 2p0q n LYS 49 Ca 0.01 -3.50 -0.42 0.00 -2.02 0.00 0.00 58.31 52.38 2p0q n LYS 49 Cb 0.47 -2.81 -0.03 0.00 -0.02 0.00 0.00 35.03 32.65 2p0q n LYS 49 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2p0q s LYS 50 N -0.22 4.20 0.37 1.97 2.20 -0.22 -4.70 119.74 123.35 2p0q s LYS 50 Ca 0.45 2.41 -0.28 0.00 -0.36 0.00 0.00 55.97 58.19 2p0q s LYS 50 Cb 0.13 -3.11 -0.11 0.00 -1.51 0.00 0.00 37.83 33.23 2p0q s LYS 50 CO -0.03 -0.58 1.49 1.17 -0.36 0.00 0.00 175.35 177.05 2p0q n LYS 51 N 3.24 2.68 -0.65 4.03 4.81 -1.26 -0.21 118.16 130.80 2p0q n LYS 51 Ca 0.11 0.94 -0.31 0.00 -0.87 0.00 0.00 58.31 58.18 2p0q n LYS 51 Cb 0.38 -2.67 0.18 0.00 0.02 0.00 0.00 35.03 32.94 2p0q n LYS 51 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2p0q n SER 52 N 0.53 -0.14 -0.03 3.14 7.64 -0.01 -4.73 113.62 120.02 2p0q n SER 52 Ca 0.02 0.32 0.13 0.00 1.01 0.00 0.00 58.87 60.34 2p0q n SER 52 Cb 0.39 -1.43 0.54 0.00 -1.01 0.00 0.00 64.21 62.70 2p0q n SER 52 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2p0q h ARG 53 N -2.01 0.30 0.00 1.43 2.43 -1.92 -3.39 114.38 111.22 2p0q h ARG 53 Ca -0.46 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2p0q h ARG 53 Cb 1.28 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2p0q h ARG 53 CO 0.42 0.20 0.00 1.17 -1.51 0.00 0.00 179.97 180.25 2p0q n LYS 54 N -4.46 0.00 -1.31 0.20 4.81 -1.26 -5.12 118.16 111.02 2p0q n LYS 54 Ca 0.08 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.17 2p0q n LYS 54 Cb 0.37 -0.17 0.10 0.00 0.02 0.00 0.00 35.03 35.35 2p0q n LYS 54 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2p0q n THR 55 N -2.05 2.81 0.76 3.15 -1.04 -1.26 -4.91 114.28 111.75 2p0q n THR 55 Ca 0.00 -0.32 0.08 0.00 -2.04 0.00 0.00 64.05 61.76 2p0q n THR 55 Cb 0.00 -1.19 0.41 0.00 -1.82 0.00 0.00 70.33 67.72 2p0q n THR 55 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2p0q n SER 56 N -2.32 0.00 -2.49 8.00 7.64 -1.26 -3.90 113.62 119.28 2p0q n SER 56 Ca 0.14 0.06 -0.03 0.00 1.01 0.00 0.00 58.87 60.05 2p0q n SER 56 Cb 0.50 -0.29 0.02 0.00 -1.01 0.00 0.00 64.21 63.43 2p0q n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2p0q n THR 57 N -1.29 0.00 -4.83 0.44 -2.24 -1.26 -4.74 114.28 100.36 2p0q n THR 57 Ca 0.08 -0.05 -0.25 0.00 -2.27 0.00 0.00 64.05 61.55 2p0q n THR 57 Cb 0.13 -1.24 -0.15 0.00 -2.10 0.00 0.00 70.33 66.97 2p0q n THR 57 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2p0q s ILE 58 N -1.19 1.46 0.15 2.28 -1.09 -1.26 -0.83 121.20 120.72 2p0q s ILE 58 Ca 0.06 -0.85 0.08 0.00 -2.23 0.00 0.00 60.65 57.71 2p0q s ILE 58 Cb -0.00 -1.23 -0.04 0.00 -1.58 0.00 0.00 42.46 39.61 2p0q s ILE 58 CO 0.05 0.37 -0.05 -1.61 -1.23 0.00 0.00 174.94 172.46 2p0q s GLU 59 N -0.56 2.24 -0.08 2.79 0.41 0.70 -4.79 118.70 119.42 2p0q s GLU 59 Ca 0.07 -1.11 0.02 0.00 -0.41 0.00 0.00 54.97 53.53 2p0q s GLU 59 Cb -0.07 -2.30 0.02 0.00 -1.78 0.00 0.00 34.13 29.99 2p0q s GLU 59 CO -0.00 0.47 -0.12 -1.21 -0.49 0.00 0.00 175.26 173.91 2p0q s GLU 60 N -2.68 1.76 0.05 1.61 2.02 -1.26 -1.06 118.70 119.14 2p0q s GLU 60 Ca 0.25 -0.41 0.04 0.00 0.02 0.00 0.00 54.97 54.88 2p0q s GLU 60 Cb -0.10 -1.53 -0.02 0.00 0.10 0.00 0.00 34.13 32.57 2p0q s GLU 60 CO 0.16 -0.05 -0.13 0.15 0.02 0.00 0.00 175.26 175.41 2p0q s LYS 61 N 0.94 0.80 -0.18 1.61 1.02 -0.58 -5.01 119.74 118.35 2p0q s LYS 61 Ca -0.09 -0.81 -0.10 0.00 0.02 0.00 0.00 55.97 54.99 2p0q s LYS 61 Cb -0.15 -0.78 -0.05 0.00 -0.52 0.00 0.00 37.83 36.34 2p0q s LYS 61 CO 0.00 0.18 0.15 0.99 -0.92 0.00 0.00 175.35 175.75 2p0q s THR 62 N -1.07 5.42 0.05 2.17 2.01 -1.26 -0.33 115.64 122.63 2p0q s THR 62 Ca -0.02 0.23 -0.04 0.00 0.31 0.00 0.00 61.69 62.17 2p0q s THR 62 Cb -0.09 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 2p0q s THR 62 CO 0.01 0.47 0.05 0.68 -0.69 0.00 0.00 174.62 175.14 2p0q s VAL 63 N 0.13 0.16 -0.36 3.82 -7.23 -0.10 -0.70 120.40 116.13 2p0q s VAL 63 Ca 0.10 -1.35 -0.14 0.00 -1.81 0.00 0.00 61.98 58.78 2p0q s VAL 63 Cb -0.11 -1.11 -0.01 0.00 0.56 0.00 0.00 36.38 35.70 2p0q s VAL 63 CO -0.00 -0.74 0.26 -0.70 -0.31 0.00 0.00 175.10 173.60 2p0q s GLU 64 N -3.13 3.38 -0.08 4.82 2.12 0.46 -0.73 118.70 125.53 2p0q s GLU 64 Ca -0.00 -0.72 -0.30 0.00 0.36 0.00 0.00 54.97 54.31 2p0q s GLU 64 Cb 0.02 -3.85 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 2p0q s GLU 64 CO -0.07 -0.52 1.17 0.08 -0.54 0.00 0.00 175.26 175.38 2p0q s VAL 65 N 1.74 4.35 -0.17 3.70 1.01 0.90 -0.75 120.40 131.17 2p0q s VAL 65 Ca 0.06 1.66 0.13 0.00 0.00 0.00 0.00 61.98 63.83 2p0q s VAL 65 Cb -0.18 -4.07 -0.23 0.00 0.00 0.00 0.00 36.38 31.90 2p0q s VAL 65 CO 0.11 -0.02 0.17 0.18 0.00 0.00 0.00 175.10 175.54 2p0q n LEU 66 N 5.37 0.76 0.00 3.92 4.77 0.26 -1.24 117.00 130.84 2p0q n LEU 66 Ca 0.11 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2p0q n LEU 66 Cb 0.46 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2p0q n LEU 66 CO 0.55 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 2p0q n GLY 67 N 1.79 0.98 3.76 -0.72 0.00 -1.24 -4.07 105.19 105.70 2p0q n GLY 67 Ca -0.31 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 2p0q n GLY 67 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2p0q s MET 68 N -2.00 3.45 0.99 1.61 -1.94 -1.26 -0.64 119.30 119.50 2p0q s MET 68 Ca 0.00 2.07 -0.12 0.00 -1.71 0.00 0.00 55.69 55.93 2p0q s MET 68 Cb 0.00 -2.36 0.18 0.00 2.01 0.00 0.00 34.83 34.66 2p0q s MET 68 CO 0.00 -0.89 1.08 0.00 -0.01 0.00 0.00 175.02 175.20 2p0q s ALA 69 N -1.38 0.92 0.36 3.03 0.00 -0.21 -4.50 121.76 119.97 2p0q s ALA 69 Ca 0.67 -0.17 -0.25 0.00 0.00 0.00 0.00 51.96 52.21 2p0q s ALA 69 Cb -0.36 -3.18 -0.13 0.00 0.00 0.00 0.00 23.12 19.45 2p0q s ALA 69 CO 0.43 -2.86 0.88 -2.30 0.00 0.00 0.00 175.76 171.92 2p0q n PRO 70 N -4.22 1.10 0.25 0.00 -0.02 -1.26 -4.87 135.00 125.98 2p0q n PRO 70 Ca 0.06 0.39 0.12 0.00 -2.02 0.00 0.00 63.50 62.05 2p0q n PRO 70 Cb 0.56 -1.79 0.76 0.00 -0.02 0.00 0.00 33.50 33.00 2p0q n PRO 70 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2p0q h ASP 71 N 1.51 0.00 0.16 2.55 2.03 -1.97 -1.98 116.42 118.72 2p0q h ASP 71 Ca -0.41 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.88 2p0q h ASP 71 Cb 1.36 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.86 2p0q h ASP 71 CO 0.57 0.00 -0.05 -0.78 -1.03 0.00 0.00 179.24 177.95 2p0q h ASP 72 N 0.00 0.00 0.68 4.15 3.58 -2.03 -1.15 116.42 121.65 2p0q h ASP 72 Ca 0.03 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.35 2p0q h ASP 72 Cb 0.11 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2p0q h ASP 72 CO -0.00 0.05 -1.41 -0.62 -2.88 0.00 0.00 179.24 174.38 2p0q n GLU 73 N -3.72 0.62 -0.19 0.28 1.02 -0.75 -4.47 120.64 113.43 2p0q n GLU 73 Ca -0.02 0.15 -0.01 0.00 -0.02 0.00 0.00 57.16 57.25 2p0q n GLU 73 Cb 0.15 -1.78 0.05 0.00 -0.02 0.00 0.00 31.44 29.84 2p0q n GLU 73 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2p0q h LEU 75 N 0.86 0.00 0.00 0.00 -0.00 -1.78 -3.40 115.31 110.98 2p0q h LEU 75 Ca 0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2p0q h LEU 75 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 2p0q h LEU 75 CO 0.14 0.01 -0.49 0.29 -0.00 0.00 0.00 178.44 178.39 2p0q n LYS 76 N -2.46 2.31 -3.73 1.13 5.02 -1.26 -4.78 118.16 114.38 2p0q n LYS 76 Ca 0.05 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.24 2p0q n LYS 76 Cb 0.46 -0.75 -0.06 0.00 -0.02 0.00 0.00 35.03 34.67 2p0q n LYS 76 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2p0q s ASP 77 N -1.67 -0.10 0.18 4.39 -1.08 -1.26 -5.15 116.67 111.98 2p0q s ASP 77 Ca 0.00 -0.47 -0.25 0.00 -0.52 0.00 0.00 52.55 51.30 2p0q s ASP 77 Cb 0.00 0.43 -0.08 0.00 -1.46 0.00 0.00 42.92 41.81 2p0q s ASP 77 CO 0.00 -0.82 0.79 -0.04 0.52 0.00 0.00 175.17 175.62 2p0q s MET 78 N -3.84 4.57 0.07 4.34 -1.94 -1.26 -4.29 119.30 116.96 2p0q s MET 78 Ca 0.05 1.17 0.03 0.00 -1.71 0.00 0.00 55.69 55.23 2p0q s MET 78 Cb 0.03 -3.22 -0.03 0.00 2.01 0.00 0.00 34.83 33.61 2p0q s MET 78 CO -0.11 0.55 -0.09 0.71 -0.01 0.00 0.00 175.02 176.07 2p0q s TYR 79 N -1.19 0.87 -0.01 -0.03 1.51 -1.26 -0.52 117.35 116.72 2p0q s TYR 79 Ca 0.37 -0.61 -0.02 0.00 -1.01 0.00 0.00 57.07 55.80 2p0q s TYR 79 Cb -0.23 -0.50 0.00 0.00 -0.11 0.00 0.00 41.96 41.13 2p0q s TYR 79 CO 0.26 -0.06 0.04 0.14 -1.11 0.00 0.00 175.55 174.83 2p0q s VAL 80 N -2.04 0.02 0.25 0.71 -7.23 -0.06 -1.04 120.40 111.00 2p0q s VAL 80 Ca -0.01 -0.16 -0.30 0.00 -1.81 0.00 0.00 61.98 59.70 2p0q s VAL 80 Cb -0.05 -0.12 -0.09 0.00 0.56 0.00 0.00 36.38 36.67 2p0q s VAL 80 CO -0.00 -0.09 0.97 -1.61 -0.31 0.00 0.00 175.10 174.06 2p0q s GLU 81 N -0.25 4.81 0.02 4.82 2.02 0.18 -0.92 118.70 129.38 2p0q s GLU 81 Ca -0.03 1.54 -0.04 0.00 0.02 0.00 0.00 54.97 56.46 2p0q s GLU 81 Cb -0.02 -3.24 -0.01 0.00 0.10 0.00 0.00 34.13 30.96 2p0q s GLU 81 CO 0.00 0.45 0.06 0.14 0.02 0.00 0.00 175.26 175.94 2p0q s VAL 82 N -1.20 0.11 -0.02 2.63 -7.23 0.07 -0.57 120.40 114.19 2p0q s VAL 82 Ca 0.42 -0.90 0.06 0.00 -1.81 0.00 0.00 61.98 59.75 2p0q s VAL 82 Cb -0.27 -0.52 -0.01 0.00 0.56 0.00 0.00 36.38 36.14 2p0q s VAL 82 CO 0.33 -0.50 -0.20 0.00 -0.31 0.00 0.00 175.10 174.42 2p0q s ALA 83 N -1.78 1.68 0.32 1.32 0.00 0.07 -0.44 121.76 122.92 2p0q s ALA 83 Ca -0.12 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.69 2p0q s ALA 83 Cb -0.06 -0.43 -0.10 0.00 0.00 0.00 0.00 23.12 22.52 2p0q s ALA 83 CO -0.01 0.40 1.21 0.34 0.00 0.00 0.00 175.76 177.71 2p0q s ASP 84 N -0.44 6.93 -0.58 0.00 2.15 -1.26 -0.41 116.67 123.07 2p0q s ASP 84 Ca 0.07 2.50 0.04 0.00 0.43 0.00 0.00 52.55 55.59 2p0q s ASP 84 Cb -0.08 -2.64 0.37 0.00 -0.30 0.00 0.00 42.92 40.27 2p0q s ASP 84 CO -0.01 -0.40 1.13 -0.38 -0.17 0.00 0.00 175.17 175.35 2p0q n ILE 85 N 0.87 3.09 0.00 4.11 5.41 0.12 -3.14 119.36 129.82 2p0q n ILE 85 Ca -0.00 -5.31 0.00 0.00 1.00 0.00 0.00 62.75 58.44 2p0q n ILE 85 Cb 0.43 -1.36 0.00 0.00 -0.71 0.00 0.00 39.64 38.01 2p0q n ILE 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2p0q n GLY 86 N -0.34 0.00 0.00 7.39 0.00 -1.26 -4.74 105.19 106.25 2p0q n GLY 86 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2p0q n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p0q n GLY 87 N 1.52 0.00 0.50 -0.02 0.00 -1.26 -5.01 105.19 100.91 2p0q n GLY 87 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2p0q n GLY 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2p0q n LYS 88 N 0.00 1.42 0.22 1.61 5.02 -1.26 -4.78 118.16 120.40 2p0q n LYS 88 Ca 0.00 -3.03 0.18 0.00 -2.02 0.00 0.00 58.31 53.43 2p0q n LYS 88 Cb 0.00 -1.50 0.86 0.00 -0.02 0.00 0.00 35.03 34.36 2p0q n LYS 88 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2p0q h ASP 89 N 0.73 0.00 0.19 4.39 3.58 -1.92 -1.70 116.42 121.70 2p0q h ASP 89 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2p0q h ASP 89 Cb 1.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.09 2p0q h ASP 89 CO 0.00 0.00 0.00 -0.67 -2.88 0.00 0.00 179.24 175.69 2p0q n ASP 90 N -3.57 0.29 -4.25 2.28 2.03 -1.26 -4.76 116.55 107.31 2p0q n ASP 90 Ca 0.01 0.61 -0.14 0.00 0.52 0.00 0.00 54.79 55.80 2p0q n ASP 90 Cb 0.35 -0.66 -0.10 0.00 -0.72 0.00 0.00 41.12 39.99 2p0q n ASP 90 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2p0q s ASP 91 N -3.54 1.06 0.05 1.67 2.15 -0.64 -5.16 116.67 112.26 2p0q s ASP 91 Ca 0.01 -1.25 0.03 0.00 0.43 0.00 0.00 52.55 51.78 2p0q s ASP 91 Cb 0.05 0.16 -0.03 0.00 -0.30 0.00 0.00 42.92 42.81 2p0q s ASP 91 CO 0.17 -0.64 -0.10 -0.69 -0.17 0.00 0.00 175.17 173.73 2p0q s VAL 92 N -3.75 0.75 0.37 1.11 1.01 -1.26 -4.17 120.40 114.45 2p0q s VAL 92 Ca 0.29 -1.16 0.06 0.00 0.00 0.00 0.00 61.98 61.17 2p0q s VAL 92 Cb 0.07 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 2p0q s VAL 92 CO 0.07 -0.32 0.22 -0.31 0.00 0.00 0.00 175.10 174.76 2p0q s TYR 93 N -1.33 1.76 -0.03 5.22 2.02 0.42 -4.98 117.35 120.44 2p0q s TYR 93 Ca -0.07 -1.52 0.04 0.00 -0.37 0.00 0.00 57.07 55.14 2p0q s TYR 93 Cb -0.10 -0.90 -0.00 0.00 -0.40 0.00 0.00 41.96 40.56 2p0q s TYR 93 CO 0.01 -0.65 -0.13 0.99 -1.57 0.00 0.00 175.55 174.20 2p0q s THR 94 N -3.34 1.08 0.15 -0.71 2.01 -1.26 -0.75 115.64 112.81 2p0q s THR 94 Ca 0.33 -0.54 0.07 0.00 0.31 0.00 0.00 61.69 61.86 2p0q s THR 94 Cb 0.02 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 2p0q s THR 94 CO 0.22 0.32 -0.16 0.00 -0.69 0.00 0.00 174.62 174.31 2p0q s ALA 95 N -0.03 1.78 0.33 7.40 0.00 -0.10 -4.96 121.76 126.18 2p0q s ALA 95 Ca -0.00 -1.41 -0.27 0.00 0.00 0.00 0.00 51.96 50.28 2p0q s ALA 95 Cb -0.08 -0.13 -0.09 0.00 0.00 0.00 0.00 23.12 22.81 2p0q s ALA 95 CO 0.01 0.17 1.05 0.15 0.00 0.00 0.00 175.76 177.14 2p0q s LYS 96 N -2.76 4.46 0.52 0.00 3.01 -1.26 -0.89 119.74 122.81 2p0q s LYS 96 Ca 0.13 1.62 0.19 0.00 -1.01 0.00 0.00 55.97 56.90 2p0q s LYS 96 Cb -0.05 -2.90 1.33 0.00 -1.01 0.00 0.00 37.83 35.19 2p0q s LYS 96 CO 0.05 0.10 2.12 1.25 0.51 0.00 0.00 175.35 179.38 2p0q h LEU 97 N 3.25 0.00 -1.75 3.17 5.85 -1.12 -0.41 115.31 124.31 2p0q h LEU 97 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2p0q h LEU 97 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2p0q h LEU 97 CO 0.65 0.06 0.09 0.28 -0.34 0.00 0.00 178.44 179.17 2p0q h SER 98 N 0.00 0.00 -0.01 1.25 0.02 -1.92 -1.89 113.55 111.00 2p0q h SER 98 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2p0q h SER 98 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2p0q h SER 98 CO 0.01 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.17 2p0q n ASP 99 N -2.47 2.07 -4.52 3.07 9.92 -0.18 -5.02 116.55 119.42 2p0q n ASP 99 Ca -0.02 -2.10 -0.30 0.00 -0.53 0.00 0.00 54.79 51.84 2p0q n ASP 99 Cb 0.13 -0.05 -0.11 0.00 -0.64 0.00 0.00 41.12 40.45 2p0q n ASP 99 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2p0q s ILE 100 N -1.18 3.04 -0.08 0.53 -1.09 -0.71 0.02 121.20 121.73 2p0q s ILE 100 Ca 0.04 -1.36 -0.03 0.00 -2.23 0.00 0.00 60.65 57.08 2p0q s ILE 100 Cb 0.03 -2.39 0.04 0.00 -1.58 0.00 0.00 42.46 38.56 2p0q s ILE 100 CO 0.01 0.15 0.06 -0.70 -1.23 0.00 0.00 174.94 173.23 2p0q s GLU 101 N -2.04 -0.01 0.68 2.79 2.12 -0.57 -4.93 118.70 116.75 2p0q s GLU 101 Ca 0.19 0.25 -0.14 0.00 0.36 0.00 0.00 54.97 55.62 2p0q s GLU 101 Cb -0.11 -0.87 0.01 0.00 0.26 0.00 0.00 34.13 33.42 2p0q s GLU 101 CO 0.11 -0.42 1.11 0.00 -0.54 0.00 0.00 175.26 175.52 2p0q s ALA 102 N 2.15 2.42 -0.08 6.30 0.00 -1.26 -0.38 121.76 130.91 2p0q s ALA 102 Ca 0.04 0.49 0.04 0.00 0.00 0.00 0.00 51.96 52.53 2p0q s ALA 102 Cb -0.13 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2p0q s ALA 102 CO -0.05 -1.38 -0.21 0.42 0.00 0.00 0.00 175.76 174.55 2p0q s ILE 103 N -2.45 1.78 -1.41 0.00 1.01 0.31 -4.79 121.20 115.64 2p0q s ILE 103 Ca 0.66 -0.87 -0.12 0.00 0.00 0.00 0.00 60.65 60.32 2p0q s ILE 103 Cb -0.20 -1.55 0.10 0.00 0.01 0.00 0.00 42.46 40.82 2p0q s ILE 103 CO 0.44 0.50 0.61 -0.67 0.00 0.00 0.00 174.94 175.82 2p0q n ASP 104 N 3.50 -3.66 -4.89 3.58 2.03 -1.26 -4.32 116.55 111.53 2p0q n ASP 104 Ca -0.20 -0.59 -0.21 0.00 0.52 0.00 0.00 54.79 54.31 2p0q n ASP 104 Cb 0.53 -3.01 0.06 0.00 -0.72 0.00 0.00 41.12 37.98 2p0q n ASP 104 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2p0q s VAL 105 N -3.04 2.47 0.82 5.18 0.11 -1.26 -4.99 120.40 119.68 2p0q s VAL 105 Ca 0.52 -0.70 -0.10 0.00 -2.93 0.00 0.00 61.98 58.77 2p0q s VAL 105 Cb -0.28 -2.77 0.09 0.00 -1.53 0.00 0.00 36.38 31.89 2p0q s VAL 105 CO 0.64 0.00 1.11 -0.62 -3.33 0.00 0.00 175.10 172.90 2p0q s ASP 106 N -4.54 3.98 0.25 3.54 2.15 -1.26 -4.84 116.67 115.94 2p0q s ASP 106 Ca 0.60 1.95 -0.06 0.00 0.43 0.00 0.00 52.55 55.48 2p0q s ASP 106 Cb -0.08 -2.54 0.27 0.00 -0.30 0.00 0.00 42.92 40.27 2p0q s ASP 106 CO 0.40 -2.39 1.87 -0.78 -0.17 0.00 0.00 175.17 174.11 2p0q h ASP 107 N -1.37 1.08 0.39 -0.34 3.58 -1.98 -0.90 116.42 116.88 2p0q h ASP 107 Ca -0.43 -0.09 -0.20 0.00 0.42 0.00 0.00 57.03 56.73 2p0q h ASP 107 Cb 1.24 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 2p0q h ASP 107 CO 0.48 0.86 -0.83 -0.78 -2.88 0.00 0.00 179.24 176.09 2p0q h ASP 108 N 1.21 0.41 -0.09 2.28 3.58 -1.92 0.56 116.42 122.45 2p0q h ASP 108 Ca 0.31 -0.30 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2p0q h ASP 108 Cb 0.02 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 40.94 2p0q h ASP 108 CO -0.05 1.07 0.02 0.74 -2.88 0.00 0.00 179.24 178.14 2p0q h THR 109 N 0.20 1.20 -0.38 2.25 2.02 -1.71 -2.43 112.91 114.06 2p0q h THR 109 Ca -0.05 -0.63 -0.08 0.00 0.77 0.00 0.00 66.41 66.42 2p0q h THR 109 Cb 1.43 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 69.28 2p0q h THR 109 CO 0.14 0.18 -0.10 -0.61 0.37 0.00 0.00 175.52 175.49 2p0q h GLN 110 N -0.07 0.66 -0.52 6.66 5.75 -0.96 -2.02 115.11 124.60 2p0q h GLN 110 Ca 0.03 -0.20 -0.06 0.00 -0.15 0.00 0.00 58.65 58.27 2p0q h GLN 110 Cb 0.26 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 2p0q h GLN 110 CO 0.00 0.75 0.11 0.93 -2.65 0.00 0.00 178.83 177.97 2p0q h GLU 111 N 0.60 0.85 -0.50 1.69 4.39 -0.87 0.41 114.58 121.15 2p0q h GLU 111 Ca 0.11 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 2p0q h GLU 111 Cb 0.53 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 2p0q h GLU 111 CO 0.03 0.82 0.18 0.00 -1.16 0.00 0.00 179.01 178.88 2p0q h ALA 112 N 0.99 0.65 0.09 3.43 0.00 -1.09 -0.03 119.26 123.31 2p0q h ALA 112 Ca 0.16 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2p0q h ALA 112 Cb 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2p0q h ALA 112 CO 0.01 0.28 -0.05 0.82 0.00 0.00 0.00 179.25 180.31 2p0q h ILE 113 N 0.67 0.98 -0.14 0.00 2.04 -1.26 -1.60 117.51 118.20 2p0q h ILE 113 Ca 0.16 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.77 2p0q h ILE 113 Cb 0.23 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 2p0q h ILE 113 CO -0.01 0.07 -0.03 0.00 0.00 0.00 0.00 178.15 178.18 2p0q h ALA 114 N 0.64 0.10 -0.10 1.87 0.00 -0.74 -0.19 119.26 120.85 2p0q h ALA 114 Ca -0.01 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2p0q h ALA 114 Cb 0.21 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2p0q h ALA 114 CO 0.02 -0.48 -0.21 0.22 0.00 0.00 0.00 179.25 178.80 2p0q h ASP 115 N 0.01 0.16 -0.29 0.00 3.58 -0.98 0.70 116.42 119.59 2p0q h ASP 115 Ca 0.07 -0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.40 2p0q h ASP 115 Cb 0.10 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2p0q h ASP 115 CO -0.14 0.38 -0.13 -0.25 -2.88 0.00 0.00 179.24 176.22 2p0q h TRP 116 N 0.15 0.70 -0.46 0.28 2.91 -0.70 0.37 115.95 119.21 2p0q h TRP 116 Ca 0.03 -0.17 -0.07 0.00 1.13 0.00 0.00 58.89 59.81 2p0q h TRP 116 Cb 0.47 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 28.93 2p0q h TRP 116 CO 0.00 0.84 0.01 -0.07 -1.03 0.00 0.00 178.44 178.20 2p0q h LEU 117 N 0.36 0.72 -0.91 0.65 3.38 -0.40 0.45 115.31 119.56 2p0q h LEU 117 Ca 0.07 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 2p0q h LEU 117 Cb 0.65 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2p0q h LEU 117 CO 0.04 0.78 -0.13 1.88 0.09 0.00 0.00 178.44 181.10 2p0q h TYR 118 N 0.71 0.71 -0.44 1.13 0.05 -0.77 -1.18 116.97 117.17 2p0q h TYR 118 Ca 0.14 -0.13 -0.10 0.00 0.05 0.00 0.00 58.73 58.70 2p0q h TYR 118 Cb 0.42 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 2p0q h TYR 118 CO 0.02 0.75 -0.11 2.35 -1.05 0.00 0.00 178.16 180.12 2p0q h TRP 119 N 0.59 0.96 -0.12 4.88 2.91 0.02 0.83 115.95 126.03 2p0q h TRP 119 Ca 0.10 -0.21 0.03 0.00 1.13 0.00 0.00 58.89 59.94 2p0q h TRP 119 Cb 0.57 -0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 28.96 2p0q h TRP 119 CO 0.02 0.96 -0.06 1.25 -1.03 0.00 0.00 178.44 179.59 2p0q h LEU 120 N 0.69 -0.19 -1.39 0.65 5.85 -0.81 -1.43 115.31 118.69 2p0q h LEU 120 Ca 0.11 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 2p0q h LEU 120 Cb 0.65 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2p0q h LEU 120 CO 0.04 -0.08 -0.30 0.00 -0.34 0.00 0.00 178.44 177.76 2p0q h ALA 121 N 1.06 1.37 0.00 1.25 0.00 -1.08 -2.29 119.26 119.57 2p0q h ALA 121 Ca 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2p0q h ALA 121 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2p0q h ALA 121 CO -0.15 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.48 2p0q h ARG 122 N 0.00 0.00 -0.39 0.00 3.08 -0.33 -3.43 114.38 113.32 2p0q h ARG 122 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2p0q h ARG 122 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 2p0q h ARG 122 CO 0.04 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 2p0q n GLY 123 N 0.43 0.84 1.47 0.04 0.00 -0.84 -0.88 105.19 106.24 2p0q n GLY 123 Ca 0.02 -0.62 0.20 0.00 0.00 0.00 0.00 46.02 45.62 2p0q n GLY 123 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2p0q n TYR 124 N -2.68 -3.68 -0.53 1.61 4.02 -0.60 -4.84 117.16 110.47 2p0q n TYR 124 Ca 0.00 1.84 0.00 0.00 -0.01 0.00 0.00 57.90 59.73 2p0q n TYR 124 Cb 0.39 -3.34 0.00 0.00 -0.02 0.00 0.00 39.34 36.37 2p0q n TYR 124 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2p0q n LYS 125 N -4.30 0.78 0.00 -0.72 4.76 -1.26 -4.88 118.16 112.54 2p0q n LYS 125 Ca 0.01 -0.72 0.00 0.00 -2.87 0.00 0.00 58.31 54.72 2p0q n LYS 125 Cb 0.67 -0.74 0.00 0.00 -1.84 0.00 0.00 35.03 33.12 2p0q n LYS 125 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00