#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f h GLU 2 N 0.00 0.52 0.01 -0.78 4.57 -2.05 -2.77 114.58 114.07 2k0f h GLU 2 Ca 0.00 -0.03 -0.21 0.00 -1.18 0.00 0.00 59.36 57.94 2k0f h GLU 2 Cb 0.00 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.45 2k0f h GLU 2 CO 0.00 0.34 -0.98 1.05 -1.18 0.00 0.00 179.01 178.24 2k0f h GLU 3 N 0.53 0.02 -0.70 1.92 9.09 -2.05 0.22 114.58 123.62 2k0f h GLU 3 Ca 0.61 -0.03 -0.05 0.00 0.05 0.00 0.00 59.36 59.95 2k0f h GLU 3 Cb 1.15 0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 28.23 2k0f h GLU 3 CO -0.49 0.98 0.24 1.96 0.05 0.00 0.00 179.01 181.75 2k0f h GLN 4 N 0.01 1.06 -0.18 1.06 4.20 -1.97 -2.14 115.11 117.14 2k0f h GLN 4 Ca -0.02 -0.21 -0.09 0.00 0.06 0.00 0.00 58.65 58.39 2k0f h GLN 4 Cb 1.72 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 29.33 2k0f h GLN 4 CO 0.13 0.89 -0.26 0.82 -0.67 0.00 0.00 178.83 179.74 2k0f h ILE 5 N 1.03 1.34 -0.53 2.54 2.04 -1.10 -1.00 117.51 121.83 2k0f h ILE 5 Ca 0.23 -1.47 0.03 0.00 1.00 0.00 0.00 64.86 64.65 2k0f h ILE 5 Cb 0.26 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 2k0f h ILE 5 CO -0.01 0.44 0.35 0.00 0.00 0.00 0.00 178.15 178.93 2k0f h ALA 6 N 0.60 1.72 -0.32 1.87 0.00 -0.66 -0.84 119.26 121.64 2k0f h ALA 6 Ca 0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2k0f h ALA 6 Cb 0.83 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2k0f h ALA 6 CO 0.06 0.22 -0.48 1.49 0.00 0.00 0.00 179.25 180.54 2k0f h GLU 7 N 0.62 0.89 0.00 0.00 4.57 -1.18 -3.19 114.58 116.29 2k0f h GLU 7 Ca 0.21 -0.53 -0.04 0.00 -1.18 0.00 0.00 59.36 57.83 2k0f h GLU 7 Cb 0.07 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 2k0f h GLU 7 CO -0.05 1.17 -0.18 0.35 -1.18 0.00 0.00 179.01 179.12 2k0f h PHE 8 N 0.68 0.00 -0.67 0.92 3.57 -0.87 -3.07 116.94 117.50 2k0f h PHE 8 Ca 0.03 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.59 2k0f h PHE 8 Cb 1.08 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.77 2k0f h PHE 8 CO 0.07 0.18 0.38 -0.22 -2.23 0.00 0.00 178.31 176.48 2k0f h LYS 9 N 0.00 0.68 0.06 1.11 1.63 -1.14 0.20 116.57 119.11 2k0f h LYS 9 Ca -0.00 -0.04 -0.26 0.00 -0.85 0.00 0.00 60.65 59.50 2k0f h LYS 9 Cb 0.65 -0.15 0.01 0.00 -0.60 0.00 0.00 32.23 32.14 2k0f h LYS 9 CO 0.02 0.45 -1.08 1.49 -3.45 0.00 0.00 179.45 176.88 2k0f h GLU 10 N 0.70 0.44 -0.06 1.90 4.81 -1.59 -0.92 114.58 119.86 2k0f h GLU 10 Ca 0.30 -0.55 -0.13 0.00 -0.13 0.00 0.00 59.36 58.85 2k0f h GLU 10 Cb 0.17 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2k0f h GLU 10 CO -0.18 1.20 -0.55 0.00 -0.73 0.00 0.00 179.01 178.76 2k0f h ALA 11 N 0.59 0.97 -0.69 2.92 0.00 -1.62 -2.09 119.26 119.34 2k0f h ALA 11 Ca -0.12 -0.51 0.15 0.00 0.00 0.00 0.00 54.91 54.43 2k0f h ALA 11 Cb 1.75 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 19.34 2k0f h ALA 11 CO 0.19 0.69 0.06 0.35 0.00 0.00 0.00 179.25 180.54 2k0f h PHE 12 N 0.13 0.06 0.00 0.00 3.04 -0.56 -3.17 116.94 116.44 2k0f h PHE 12 Ca -0.00 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.00 2k0f h PHE 12 Cb 1.01 0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.60 2k0f h PHE 12 CO 0.01 -0.16 0.00 0.43 -2.02 0.00 0.00 178.31 176.57 2k0f n SER 13 N -5.26 0.53 -0.32 0.41 7.64 -0.36 -1.61 113.62 114.66 2k0f n SER 13 Ca 0.12 0.59 -0.02 0.00 1.01 0.00 0.00 58.87 60.56 2k0f n SER 13 Cb 0.42 -0.72 0.10 0.00 -1.01 0.00 0.00 64.21 63.00 2k0f n SER 13 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k0f h LEU 14 N 0.00 0.95 0.14 -3.43 5.85 -1.36 -3.11 115.31 114.35 2k0f h LEU 14 Ca 0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2k0f h LEU 14 Cb 0.49 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2k0f h LEU 14 CO 0.00 0.67 -0.07 -0.26 -0.34 0.00 0.00 178.44 178.44 2k0f h PHE 15 N 1.12 -0.18 -2.52 1.25 -1.00 -1.65 -3.46 116.94 110.50 2k0f h PHE 15 Ca 0.33 -0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.57 2k0f h PHE 15 Cb -0.06 0.06 -0.07 0.00 3.61 0.00 0.00 35.95 39.49 2k0f h PHE 15 CO -0.02 0.27 1.10 0.34 -1.61 0.00 0.00 178.31 178.39 2k0f s ASP 16 N -5.52 6.06 -0.10 2.17 2.15 -0.63 -4.55 116.67 116.25 2k0f s ASP 16 Ca -0.12 -0.09 -0.11 0.00 0.43 0.00 0.00 52.55 52.66 2k0f s ASP 16 Cb 0.00 -2.55 -0.09 0.00 -0.30 0.00 0.00 42.92 39.98 2k0f s ASP 16 CO 0.46 -1.84 0.34 0.11 -0.17 0.00 0.00 175.17 174.07 2k0f h LYS 17 N 10.93 -0.07 -5.52 4.34 1.79 -1.90 -3.44 116.57 122.69 2k0f h LYS 17 Ca -0.27 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.60 2k0f h LYS 17 Cb 1.08 0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 31.63 2k0f h LYS 17 CO 1.24 0.23 0.06 0.16 -1.08 0.00 0.00 179.45 180.05 2k0f s ASP 18 N -5.64 6.57 -1.03 0.86 1.47 -1.26 -4.98 116.67 112.65 2k0f s ASP 18 Ca -0.07 0.69 -0.07 0.00 1.18 0.00 0.00 52.55 54.29 2k0f s ASP 18 Cb -0.01 -2.32 -0.01 0.00 -0.34 0.00 0.00 42.92 40.24 2k0f s ASP 18 CO 0.24 -0.28 2.83 0.61 0.68 0.00 0.00 175.17 179.25 2k0f n GLY 19 N 4.05 4.42 0.07 2.12 0.00 -1.26 -4.42 105.19 110.16 2k0f n GLY 19 Ca -0.03 -1.73 -0.06 0.00 0.00 0.00 0.00 46.02 44.20 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 4.15 0.00 0.00 1.61 2.03 -1.97 -3.49 116.42 118.75 2k0f h ASP 20 Ca 0.61 -0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.73 2k0f h ASP 20 Cb 0.57 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.07 2k0f h ASP 20 CO 1.25 0.80 0.00 0.61 -1.03 0.00 0.00 179.24 180.87 2k0f n GLY 21 N 1.65 -0.02 3.31 7.15 0.00 -1.26 -5.16 105.19 110.86 2k0f n GLY 21 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N 0.00 2.00 -0.23 2.61 -4.23 -1.26 -4.39 115.64 110.14 2k0f s THR 22 Ca 0.00 -1.22 -0.15 0.00 -1.18 0.00 0.00 61.69 59.14 2k0f s THR 22 Cb 0.00 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 72.11 2k0f s THR 22 CO 0.00 0.43 0.35 -0.63 -0.54 0.00 0.00 174.62 174.22 2k0f s ILE 23 N -0.71 5.22 0.48 2.99 1.01 -0.04 -4.85 121.20 125.31 2k0f s ILE 23 Ca 0.10 0.57 -0.05 0.00 0.00 0.00 0.00 60.65 61.28 2k0f s ILE 23 Cb -0.10 -3.68 0.10 0.00 0.01 0.00 0.00 42.46 38.80 2k0f s ILE 23 CO 0.01 0.24 0.66 0.35 0.00 0.00 0.00 174.94 176.20 2k0f n THR 24 N 4.55 0.00 -0.10 2.92 -2.24 -1.26 -1.57 114.28 116.57 2k0f n THR 24 Ca -0.10 -0.73 -0.12 0.00 -2.27 0.00 0.00 64.05 60.84 2k0f n THR 24 Cb 0.51 -1.41 -0.04 0.00 -2.10 0.00 0.00 70.33 67.30 2k0f n THR 24 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2k0f h THR 25 N -0.97 1.29 0.20 4.28 1.35 -1.99 -2.29 112.91 114.79 2k0f h THR 25 Ca -0.22 -1.26 -0.01 0.00 -0.55 0.00 0.00 66.41 64.37 2k0f h THR 25 Cb 0.68 1.46 -0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2k0f h THR 25 CO 0.19 0.41 -0.11 0.11 -0.25 0.00 0.00 175.52 175.86 2k0f h LYS 26 N 0.40 -0.29 -0.87 4.72 1.79 -1.99 -1.43 116.57 118.90 2k0f h LYS 26 Ca 0.07 0.02 0.14 0.00 -2.18 0.00 0.00 60.65 58.70 2k0f h LYS 26 Cb 0.68 0.07 -0.15 0.00 -1.58 0.00 0.00 32.23 31.25 2k0f h LYS 26 CO 0.05 -0.19 -0.37 0.93 -1.08 0.00 0.00 179.45 178.79 2k0f h GLU 27 N -0.30 -0.05 0.35 3.15 5.08 -1.86 -2.20 114.58 118.75 2k0f h GLU 27 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2k0f h GLU 27 Cb 0.24 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2k0f h GLU 27 CO 0.02 -0.03 -0.21 1.25 -1.00 0.00 0.00 179.01 179.05 2k0f h LEU 28 N -0.05 -0.52 0.00 1.33 5.85 -1.38 -3.21 115.31 117.34 2k0f h LEU 28 Ca 0.31 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.06 2k0f h LEU 28 Cb 0.59 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.77 2k0f h LEU 28 CO -0.90 -0.34 -0.39 1.23 -0.34 0.00 0.00 178.44 177.71 2k0f h GLY 29 N -0.53 0.00 1.51 3.75 0.00 -1.10 -2.92 103.07 103.77 2k0f h GLY 29 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 2k0f h GLY 29 CO 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 176.54 176.26 2k0f h THR 30 N 0.00 1.28 -0.17 4.70 1.03 -1.47 0.07 112.91 118.35 2k0f h THR 30 Ca 0.00 -1.43 -0.07 0.00 -0.01 0.00 0.00 66.41 64.90 2k0f h THR 30 Cb 0.84 1.44 -0.00 0.00 -1.07 0.00 0.00 68.15 69.35 2k0f h THR 30 CO 0.00 0.46 -0.17 0.58 -0.01 0.00 0.00 175.52 176.38 2k0f h VAL 31 N 0.48 1.34 -0.51 0.00 2.07 -1.54 -2.29 116.25 115.79 2k0f h VAL 31 Ca 0.06 -1.32 0.10 0.00 0.82 0.00 0.00 66.70 66.35 2k0f h VAL 31 Cb 0.80 1.81 -0.09 0.00 -1.52 0.00 0.00 31.29 32.29 2k0f h VAL 31 CO 0.06 0.40 -0.03 0.24 0.02 0.00 0.00 177.57 178.26 2k0f h MET 32 N 0.07 0.08 0.00 1.57 2.86 -1.30 -1.62 114.93 116.60 2k0f h MET 32 Ca 0.03 -0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.55 2k0f h MET 32 Cb 0.70 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 2k0f h MET 32 CO 0.04 0.05 -0.56 -0.09 1.06 0.00 0.00 176.91 177.42 2k0f h ARG 33 N 0.08 0.00 -0.47 1.72 2.43 -0.99 -0.79 114.38 116.36 2k0f h ARG 33 Ca 0.26 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.32 2k0f h ARG 33 Cb 0.39 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 2k0f h ARG 33 CO -0.46 0.56 -0.14 0.77 -1.51 0.00 0.00 179.97 179.19 2k0f h SER 34 N 0.00 0.88 0.00 -3.80 0.02 -0.88 -3.35 113.55 106.43 2k0f h SER 34 Ca -0.01 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2k0f h SER 34 Cb 1.00 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.31 2k0f h SER 34 CO 0.07 1.02 0.00 0.18 -1.14 0.00 0.00 176.83 176.96 2k0f n LEU 35 N -4.14 0.64 0.00 5.07 4.77 -0.66 -4.88 117.00 117.80 2k0f n LEU 35 Ca 0.01 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 2k0f n LEU 35 Cb 0.40 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2k0f n LEU 35 CO 0.44 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 2k0f n GLY 36 N 0.54 -1.48 3.75 -0.72 0.00 -0.32 -4.67 105.19 102.28 2k0f n GLY 36 Ca 0.00 0.77 -0.08 0.00 0.00 0.00 0.00 46.02 46.71 2k0f n GLY 36 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 37 N 0.00 1.69 -0.55 1.61 -2.07 -1.19 -4.95 119.66 114.20 2k0f s GLN 37 Ca 0.00 -1.10 -0.19 0.00 -1.82 0.00 0.00 55.36 52.25 2k0f s GLN 37 Cb 0.00 0.55 0.07 0.00 -1.09 0.00 0.00 33.01 32.55 2k0f s GLN 37 CO 0.00 -0.75 0.69 1.21 -1.32 0.00 0.00 175.29 175.12 2k0f s ASN 38 N -2.96 6.21 -0.08 12.60 2.47 -1.26 -4.28 114.94 127.64 2k0f s ASN 38 Ca 0.16 -1.08 -0.23 0.00 0.42 0.00 0.00 52.86 52.12 2k0f s ASN 38 Cb -0.04 -2.31 -0.03 0.00 -1.45 0.00 0.00 41.25 37.42 2k0f s ASN 38 CO 0.08 -1.03 0.70 -2.84 -3.72 0.00 0.00 177.10 170.29 2k0f s PRO 39 N 2.81 4.41 -0.22 0.43 0.02 -1.26 -5.02 135.00 136.17 2k0f s PRO 39 Ca 0.15 0.87 -0.24 0.00 0.02 0.00 0.00 61.00 61.80 2k0f s PRO 39 Cb -0.21 -3.46 -0.01 0.00 0.02 0.00 0.00 34.50 30.84 2k0f s PRO 39 CO 0.10 0.02 0.78 0.99 -0.33 0.00 0.00 177.00 178.56 2k0f s THR 40 N 0.96 4.89 0.19 0.99 2.01 -1.26 -4.98 115.64 118.43 2k0f s THR 40 Ca 0.37 1.48 -0.11 0.00 0.31 0.00 0.00 61.69 63.73 2k0f s THR 40 Cb -0.17 -4.08 0.10 0.00 0.01 0.00 0.00 72.50 68.36 2k0f s THR 40 CO 0.17 -0.02 1.79 -0.08 -0.69 0.00 0.00 174.62 175.79 2k0f h GLU 41 N 7.61 0.92 0.00 4.92 4.81 -2.00 -2.78 114.58 128.06 2k0f h GLU 41 Ca -0.26 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 58.79 2k0f h GLU 41 Cb 1.11 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2k0f h GLU 41 CO 0.84 0.71 -0.29 0.00 -0.73 0.00 0.00 179.01 179.55 2k0f h ALA 42 N 1.16 1.37 -0.07 2.92 0.00 -1.99 -0.08 119.26 122.56 2k0f h ALA 42 Ca 0.23 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2k0f h ALA 42 Cb 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2k0f h ALA 42 CO -0.03 0.36 -0.33 0.93 0.00 0.00 0.00 179.25 180.18 2k0f h GLU 43 N 0.00 0.14 0.02 0.00 5.08 -1.92 -3.15 114.58 114.75 2k0f h GLU 43 Ca -0.00 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.10 2k0f h GLU 43 Cb 0.56 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2k0f h GLU 43 CO 0.04 0.46 -0.94 -0.07 -1.00 0.00 0.00 179.01 177.49 2k0f h LEU 44 N 0.12 0.21 -1.53 1.33 3.38 -0.88 -0.53 115.31 117.41 2k0f h LEU 44 Ca 0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2k0f h LEU 44 Cb 0.65 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2k0f h LEU 44 CO 0.05 1.04 -0.04 1.56 0.09 0.00 0.00 178.44 181.14 2k0f h GLN 45 N 0.07 0.26 -0.05 1.13 4.20 -1.45 0.32 115.11 119.59 2k0f h GLN 45 Ca -0.05 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 2k0f h GLN 45 Cb 1.61 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.35 2k0f h GLN 45 CO 0.14 0.32 -0.21 0.22 -0.67 0.00 0.00 178.83 178.62 2k0f h ASP 46 N 0.25 0.28 -0.59 1.46 3.58 -1.47 -2.88 116.42 117.05 2k0f h ASP 46 Ca 0.06 -0.64 0.05 0.00 0.42 0.00 0.00 57.03 56.92 2k0f h ASP 46 Cb 0.24 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.16 2k0f h ASP 46 CO 0.01 0.87 0.31 -0.03 -2.88 0.00 0.00 179.24 177.52 2k0f h MET 47 N -0.30 0.58 -0.41 0.28 4.05 -0.79 -2.51 114.93 115.83 2k0f h MET 47 Ca -0.01 -0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.44 2k0f h MET 47 Cb 0.86 -0.13 -0.06 0.00 -0.80 0.00 0.00 31.60 31.47 2k0f h MET 47 CO 0.04 0.38 0.07 0.82 0.23 0.00 0.00 176.91 178.45 2k0f h ILE 48 N 0.60 0.76 0.00 1.77 2.04 -0.41 -3.11 117.51 119.15 2k0f h ILE 48 Ca 0.26 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 66.01 2k0f h ILE 48 Cb 0.16 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2k0f h ILE 48 CO -0.17 0.03 -0.23 -1.13 0.00 0.00 0.00 178.15 176.65 2k0f h ASN 49 N 0.19 0.00 -0.98 1.72 -0.73 -1.22 -0.35 115.58 114.22 2k0f h ASN 49 Ca 0.20 0.00 0.14 0.00 1.87 0.00 0.00 56.30 58.51 2k0f h ASN 49 Cb 0.26 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 38.76 2k0f h ASN 49 CO -0.28 0.23 0.62 -0.33 -0.37 0.00 0.00 177.43 177.30 2k0f h GLU 50 N 0.00 0.86 0.00 6.67 5.08 -1.45 -3.09 114.58 122.65 2k0f h GLU 50 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2k0f h GLU 50 Cb 0.44 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2k0f h GLU 50 CO 0.03 0.57 -1.51 1.33 -1.00 0.00 0.00 179.01 178.43 2k0f n VAL 51 N -4.62 0.00 -1.84 3.13 0.24 -0.48 -4.98 118.33 109.78 2k0f n VAL 51 Ca 0.19 -0.31 -0.41 0.00 -2.04 0.00 0.00 64.34 61.77 2k0f n VAL 51 Cb 0.41 0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 33.11 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -3.60 5.43 0.07 -1.34 2.15 -0.26 -4.68 116.67 114.43 2k0f s ASP 52 Ca -0.03 1.25 -0.15 0.00 0.43 0.00 0.00 52.55 54.04 2k0f s ASP 52 Cb 0.11 -2.52 -0.19 0.00 -0.30 0.00 0.00 42.92 40.03 2k0f s ASP 52 CO 0.71 -2.08 1.24 0.00 -0.17 0.00 0.00 175.17 174.86 2k0f h ALA 53 N 14.90 0.21 0.16 3.66 0.00 -1.91 -3.39 119.26 132.90 2k0f h ALA 53 Ca -0.33 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 53.99 2k0f h ALA 53 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k0f h ALA 53 CO 1.07 0.56 -0.08 0.38 0.00 0.00 0.00 179.25 181.18 2k0f h ASP 54 N 0.32 -0.19 0.00 0.00 3.04 -1.97 -3.49 116.42 114.13 2k0f h ASP 54 Ca -0.07 -0.28 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 2k0f h ASP 54 Cb 1.38 0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.72 2k0f h ASP 54 CO 0.15 0.38 0.00 0.61 -2.04 0.00 0.00 179.24 178.34 2k0f n GLY 55 N 0.89 -0.23 0.14 7.15 0.00 -1.26 -5.04 105.19 106.84 2k0f n GLY 55 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 2k0f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 56 N 0.00 0.00 -0.02 1.61 7.08 -1.95 -3.48 115.58 118.82 2k0f h ASN 56 Ca 0.00 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.21 2k0f h ASN 56 Cb 0.00 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 56 CO 0.00 0.03 -0.01 0.61 -2.08 0.00 0.00 177.43 175.99 2k0f n GLY 57 N 1.17 0.41 3.17 9.14 0.00 -1.26 -5.01 105.19 112.81 2k0f n GLY 57 Ca 0.01 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.01 0.10 -0.44 2.61 -4.23 -1.26 -4.83 115.64 105.57 2k0f s THR 58 Ca 0.00 -0.81 -0.19 0.00 -1.18 0.00 0.00 61.69 59.51 2k0f s THR 58 Cb 0.00 -0.77 0.03 0.00 1.34 0.00 0.00 72.50 73.10 2k0f s THR 58 CO 0.00 -0.45 0.52 -0.63 -0.54 0.00 0.00 174.62 173.52 2k0f s ILE 59 N -2.16 4.98 0.84 2.99 1.01 -0.61 -4.82 121.20 123.43 2k0f s ILE 59 Ca -0.08 -0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.25 2k0f s ILE 59 Cb -0.03 -4.13 0.17 0.00 0.01 0.00 0.00 42.46 38.48 2k0f s ILE 59 CO -0.02 -0.53 1.15 -1.81 0.00 0.00 0.00 174.94 173.73 2k0f s ASP 60 N 2.00 3.71 0.18 3.58 1.11 -1.26 -0.86 116.67 125.13 2k0f s ASP 60 Ca 0.15 -0.18 -0.10 0.00 0.18 0.00 0.00 52.55 52.61 2k0f s ASP 60 Cb -0.17 -0.00 0.09 0.00 1.07 0.00 0.00 42.92 43.90 2k0f s ASP 60 CO 0.15 -2.31 1.68 -0.26 1.18 0.00 0.00 175.17 175.61 2k0f h PHE 61 N -1.04 1.13 -0.05 4.23 -1.00 -1.97 -1.61 116.94 116.63 2k0f h PHE 61 Ca -0.39 -0.15 -0.13 0.00 2.81 0.00 0.00 57.97 60.11 2k0f h PHE 61 Cb 1.25 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 40.48 2k0f h PHE 61 CO -0.70 0.95 -0.55 -1.35 -1.61 0.00 0.00 178.31 175.05 2k0f h PRO 62 N 0.98 0.14 0.13 1.51 0.11 -1.98 -2.82 132.00 130.07 2k0f h PRO 62 Ca 0.20 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 2k0f h PRO 62 Cb 0.42 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.54 2k0f h PRO 62 CO 0.01 0.66 -0.06 0.93 -0.21 0.00 0.00 178.00 179.33 2k0f h GLU 63 N 0.11 -0.17 0.00 1.05 5.08 -1.82 -3.19 114.58 115.64 2k0f h GLU 63 Ca -0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 63 Cb 1.01 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 2k0f h GLU 63 CO 0.08 -0.05 -0.06 0.35 -1.00 0.00 0.00 179.01 178.33 2k0f h PHE 64 N -0.26 0.00 0.00 4.33 3.57 -1.22 -2.35 116.94 121.02 2k0f h PHE 64 Ca -0.02 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.35 2k0f h PHE 64 Cb 0.20 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2k0f h PHE 64 CO -0.04 0.06 -0.61 1.25 -2.23 0.00 0.00 178.31 176.74 2k0f h LEU 65 N 0.00 0.00 -0.75 0.59 5.85 -1.56 -0.78 115.31 118.66 2k0f h LEU 65 Ca -0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 2k0f h LEU 65 Cb 0.44 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2k0f h LEU 65 CO 0.01 0.61 -0.08 0.74 -0.34 0.00 0.00 178.44 179.38 2k0f h THR 66 N 0.00 1.26 0.18 1.05 2.02 -1.47 -1.22 112.91 114.73 2k0f h THR 66 Ca -0.01 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.00 2k0f h THR 66 Cb 1.31 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2k0f h THR 66 CO 0.08 0.41 -0.09 -0.03 0.37 0.00 0.00 175.52 176.26 2k0f h MET 67 N 0.79 -0.24 0.00 6.66 1.85 -1.16 -3.31 114.93 119.53 2k0f h MET 67 Ca 0.14 0.02 -0.22 0.00 -0.61 0.00 0.00 59.70 59.02 2k0f h MET 67 Cb 0.58 0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.63 2k0f h MET 67 CO 0.04 -0.16 -1.08 0.52 -0.40 0.00 0.00 176.91 175.83 2k0f h MET 68 N -0.43 0.00 0.00 0.39 2.07 -1.25 -3.40 114.93 112.31 2k0f h MET 68 Ca -0.03 -0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 2k0f h MET 68 Cb 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.92 2k0f h MET 68 CO 0.04 0.95 -0.64 0.00 1.07 0.00 0.00 176.91 178.33 2k0f n ALA 69 N -2.37 3.06 -1.77 6.32 0.00 -0.49 -4.98 120.51 120.27 2k0f n ALA 69 Ca -0.02 -0.26 -0.39 0.00 0.00 0.00 0.00 53.44 52.78 2k0f n ALA 69 Cb 0.95 -0.34 -0.04 0.00 0.00 0.00 0.00 19.45 20.03 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -2.04 4.35 -0.20 0.00 3.52 -1.00 -5.00 118.95 118.58 2k0f s ARG 70 Ca 0.02 1.73 -0.07 0.00 -0.13 0.00 0.00 55.73 57.29 2k0f s ARG 70 Cb 0.07 -2.86 -0.03 0.00 -1.56 0.00 0.00 34.95 30.56 2k0f s ARG 70 CO 0.39 -0.03 0.05 0.21 -0.81 0.00 0.00 175.30 175.10 2k0f s LYS 71 N -1.98 3.79 0.00 5.12 2.20 -1.26 -4.98 119.74 122.62 2k0f s LYS 71 Ca 0.52 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 2k0f s LYS 71 Cb -0.29 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 2k0f s LYS 71 CO 0.37 0.09 0.00 -1.33 -0.36 0.00 0.00 175.35 174.11 2k0f n MET 72 N 4.08 0.00 -2.27 4.03 2.81 -1.26 -5.16 117.12 119.35 2k0f n MET 72 Ca -0.17 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.47 2k0f n MET 72 Cb 0.52 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 33.10 2k0f n MET 72 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2k0f s LYS 73 N 0.00 2.20 0.00 0.03 1.02 -1.26 -5.06 119.74 116.67 2k0f s LYS 73 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.63 2k0f s LYS 73 Cb 0.00 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 2k0f s LYS 73 CO 0.00 -1.19 0.00 -0.25 -0.92 0.00 0.00 175.35 172.99 2k0f n ASP 74 N -2.85 0.00 -0.36 2.83 8.00 -1.26 -4.65 116.55 118.26 2k0f n ASP 74 Ca 0.08 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.68 2k0f n ASP 74 Cb 0.60 -0.03 0.27 0.00 -0.02 0.00 0.00 41.12 41.95 2k0f n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2k0f h THR 75 N 0.00 0.84 0.00 -3.53 1.35 -2.05 -2.44 112.91 107.08 2k0f h THR 75 Ca 0.00 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.54 2k0f h THR 75 Cb 0.00 -0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 66.28 2k0f h THR 75 CO 0.00 0.16 -0.04 0.44 -0.25 0.00 0.00 175.52 175.83 2k0f h ASP 76 N 0.90 0.00 0.24 5.36 5.19 -2.02 -3.08 116.42 123.01 2k0f h ASP 76 Ca 0.53 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.90 2k0f h ASP 76 Cb 0.65 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.15 2k0f h ASP 76 CO -0.30 0.04 -0.15 0.28 -3.12 0.00 0.00 179.24 175.99 2k0f h SER 77 N 0.00 0.00 -0.22 6.45 0.02 -1.70 -3.14 113.55 114.96 2k0f h SER 77 Ca -0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 2k0f h SER 77 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2k0f h SER 77 CO 0.01 0.15 -0.41 -0.33 -1.14 0.00 0.00 176.83 175.11 2k0f h GLU 78 N 0.00 0.77 0.00 3.45 5.08 -1.72 -2.82 114.58 119.35 2k0f h GLU 78 Ca -0.00 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 57.92 2k0f h GLU 78 Cb 0.31 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2k0f h GLU 78 CO 0.02 1.03 -0.15 1.49 -1.00 0.00 0.00 179.01 180.40 2k0f h GLU 79 N 0.63 0.00 -0.37 2.33 4.57 -1.76 -0.91 114.58 119.07 2k0f h GLU 79 Ca 0.05 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.13 2k0f h GLU 79 Cb 0.96 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 2k0f h GLU 79 CO 0.09 0.15 -0.17 0.93 -1.18 0.00 0.00 179.01 178.83 2k0f h GLU 80 N 0.00 0.77 0.02 1.92 5.08 -1.55 0.54 114.58 121.35 2k0f h GLU 80 Ca -0.00 -0.33 -0.21 0.00 -1.00 0.00 0.00 59.36 57.82 2k0f h GLU 80 Cb 0.31 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2k0f h GLU 80 CO 0.02 0.95 -0.94 0.82 -1.00 0.00 0.00 179.01 178.86 2k0f h ILE 81 N 0.56 1.52 -0.56 3.13 1.08 -1.52 -0.02 117.51 121.70 2k0f h ILE 81 Ca 0.08 -2.77 -0.10 0.00 -0.39 0.00 0.00 64.86 61.69 2k0f h ILE 81 Cb 0.71 2.57 -0.02 0.00 -3.07 0.00 0.00 36.82 37.02 2k0f h ILE 81 CO 0.05 0.81 -0.03 -0.09 -0.69 0.00 0.00 178.15 178.19 2k0f h ARG 82 N 0.09 1.00 0.13 2.37 2.43 -0.99 -0.86 114.38 118.55 2k0f h ARG 82 Ca -0.05 -0.34 -0.29 0.00 -0.81 0.00 0.00 59.98 58.49 2k0f h ARG 82 Cb 1.60 -0.08 0.02 0.00 -0.42 0.00 0.00 29.97 31.09 2k0f h ARG 82 CO 0.14 1.02 -1.24 0.93 -1.51 0.00 0.00 179.97 179.31 2k0f h GLU 83 N 0.89 0.52 -0.98 0.20 4.39 0.13 -3.10 114.58 116.63 2k0f h GLU 83 Ca 0.15 -0.73 0.18 0.00 0.34 0.00 0.00 59.36 59.30 2k0f h GLU 83 Cb 0.59 0.25 -0.09 0.00 -0.10 0.00 0.00 28.75 29.39 2k0f h GLU 83 CO 0.04 1.33 0.61 0.00 -1.16 0.00 0.00 179.01 179.82 2k0f h ALA 84 N 0.38 1.77 -0.03 3.43 0.00 -1.01 0.16 119.26 123.96 2k0f h ALA 84 Ca -0.17 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2k0f h ALA 84 Cb 1.92 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 2k0f h ALA 84 CO 0.23 -0.09 -0.30 0.35 0.00 0.00 0.00 179.25 179.44 2k0f h PHE 85 N 0.73 -0.82 -0.30 0.00 3.57 -1.08 -1.04 116.94 118.00 2k0f h PHE 85 Ca 0.53 0.03 0.02 0.00 3.53 0.00 0.00 57.97 62.08 2k0f h PHE 85 Cb 0.86 0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.94 2k0f h PHE 85 CO -0.00 -0.39 0.14 -0.09 -2.23 0.00 0.00 178.31 175.74 2k0f h ARG 86 N -0.43 0.29 -0.52 1.11 2.43 -1.40 -2.96 114.38 112.90 2k0f h ARG 86 Ca 0.07 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.31 2k0f h ARG 86 Cb 0.53 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.94 2k0f h ARG 86 CO -0.27 0.19 0.09 0.28 -1.51 0.00 0.00 179.97 178.75 2k0f h VAL 87 N 0.30 0.70 -0.22 0.20 2.07 -0.67 -3.29 116.25 115.33 2k0f h VAL 87 Ca 0.13 -0.08 -0.11 0.00 0.82 0.00 0.00 66.70 67.46 2k0f h VAL 87 Cb 0.05 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2k0f h VAL 87 CO -0.09 0.04 -0.30 0.15 0.02 0.00 0.00 177.57 177.39 2k0f h PHE 88 N 0.23 0.72 -3.37 1.57 3.57 -1.02 -3.43 116.94 115.21 2k0f h PHE 88 Ca 0.26 -0.24 -0.56 0.00 3.53 0.00 0.00 57.97 60.97 2k0f h PHE 88 Cb 0.36 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 2k0f h PHE 88 CO -0.24 0.96 0.16 0.34 -2.23 0.00 0.00 178.31 177.30 2k0f s ASP 89 N -6.48 7.08 -0.02 0.41 2.15 -1.20 -4.97 116.67 113.64 2k0f s ASP 89 Ca -0.13 1.30 -0.22 0.00 0.43 0.00 0.00 52.55 53.93 2k0f s ASP 89 Cb 0.07 -2.45 -0.23 0.00 -0.30 0.00 0.00 42.92 40.02 2k0f s ASP 89 CO 0.81 -0.15 1.08 0.50 -0.17 0.00 0.00 175.17 177.24 2k0f h LYS 90 N 6.77 0.29 -0.04 4.34 3.64 -1.86 -3.29 116.57 126.43 2k0f h LYS 90 Ca -0.41 -0.29 -0.13 0.00 -1.27 0.00 0.00 60.65 58.55 2k0f h LYS 90 Cb 1.20 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 33.11 2k0f h LYS 90 CO 0.75 0.99 -0.49 0.38 -2.27 0.00 0.00 179.45 178.81 2k0f h ASP 91 N -0.30 0.49 -2.16 4.20 2.03 -1.95 -3.50 116.42 115.25 2k0f h ASP 91 Ca -0.05 -0.71 0.00 0.00 -0.73 0.00 0.00 57.03 55.54 2k0f h ASP 91 Cb 1.11 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.46 2k0f h ASP 91 CO 0.08 1.13 0.00 0.61 -1.03 0.00 0.00 179.24 180.03 2k0f n GLY 92 N 0.91 0.79 0.10 7.15 0.00 -1.24 -5.02 105.19 107.89 2k0f n GLY 92 Ca -0.09 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N -1.08 2.15 0.00 1.61 6.94 -1.26 -5.00 115.26 118.62 2k0f n ASN 93 Ca 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 54.58 54.46 2k0f n ASN 93 Cb 0.40 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 2.41 1.07 3.20 4.83 0.00 -1.26 -5.15 105.19 110.30 2k0f n GLY 94 Ca -0.37 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -0.17 1.29 -0.24 1.61 2.02 -1.26 -3.93 117.35 116.65 2k0f s TYR 95 Ca 0.00 -0.51 -0.07 0.00 -0.37 0.00 0.00 57.07 56.11 2k0f s TYR 95 Cb 0.00 -0.70 -0.03 0.00 -0.40 0.00 0.00 41.96 40.83 2k0f s TYR 95 CO 0.00 0.09 0.07 0.42 -1.57 0.00 0.00 175.55 174.56 2k0f s ILE 96 N -1.70 4.37 0.64 2.71 1.01 -0.81 -4.90 121.20 122.51 2k0f s ILE 96 Ca 0.03 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.55 2k0f s ILE 96 Cb -0.07 -3.03 0.10 0.00 0.01 0.00 0.00 42.46 39.46 2k0f s ILE 96 CO 0.02 0.35 0.89 -0.94 0.00 0.00 0.00 174.94 175.26 2k0f s SER 97 N 1.47 4.75 0.13 3.58 1.04 -1.26 -2.06 113.70 121.35 2k0f s SER 97 Ca 0.06 -0.45 -0.26 0.00 0.48 0.00 0.00 55.95 55.77 2k0f s SER 97 Cb -0.15 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 2k0f s SER 97 CO 0.04 -1.56 1.62 0.00 0.98 0.00 0.00 173.24 174.31 2k0f h ALA 98 N -0.19 -0.41 0.13 5.32 0.00 -1.97 -0.93 119.26 121.21 2k0f h ALA 98 Ca -0.36 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.57 2k0f h ALA 98 Cb 1.28 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 2k0f h ALA 98 CO 0.42 -0.80 -0.27 0.00 0.00 0.00 0.00 179.25 178.60 2k0f h ALA 99 N 0.35 -0.47 -0.53 0.00 0.00 -1.98 -1.87 119.26 114.75 2k0f h ALA 99 Ca 0.07 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.03 2k0f h ALA 99 Cb 0.54 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 2k0f h ALA 99 CO -0.28 -0.81 0.08 0.93 0.00 0.00 0.00 179.25 179.17 2k0f h GLU 100 N -0.49 0.20 -0.59 0.00 5.08 -1.90 -1.88 114.58 115.01 2k0f h GLU 100 Ca 0.03 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2k0f h GLU 100 Cb 0.51 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2k0f h GLU 100 CO -0.15 0.13 0.18 1.25 -1.00 0.00 0.00 179.01 179.42 2k0f h LEU 101 N 0.21 0.82 -0.60 1.33 5.85 -1.20 -3.00 115.31 118.72 2k0f h LEU 101 Ca 0.27 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 2k0f h LEU 101 Cb 0.39 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2k0f h LEU 101 CO -0.38 0.78 0.03 -0.09 -0.34 0.00 0.00 178.44 178.44 2k0f h ARG 102 N 0.86 1.04 -0.02 1.25 2.43 -0.60 0.12 114.38 119.46 2k0f h ARG 102 Ca 0.19 -0.32 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2k0f h ARG 102 Cb 0.26 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2k0f h ARG 102 CO -0.01 1.01 -0.04 0.45 -1.51 0.00 0.00 179.97 179.87 2k0f h HIS 103 N 0.94 -0.09 0.01 2.20 3.86 -1.33 -2.63 115.15 118.11 2k0f h HIS 103 Ca 0.17 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2k0f h HIS 103 Cb 0.52 0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.03 2k0f h HIS 103 CO 0.04 -0.06 -0.00 0.28 0.86 0.00 0.00 177.93 179.05 2k0f h VAL 104 N -0.06 1.04 -0.09 2.45 2.07 -1.35 -1.02 116.25 119.29 2k0f h VAL 104 Ca 0.02 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 2k0f h VAL 104 Cb 0.09 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2k0f h VAL 104 CO -0.05 0.04 -0.16 0.24 0.02 0.00 0.00 177.57 177.65 2k0f h MET 105 N -0.07 0.15 -0.88 1.57 2.07 -0.86 -2.63 114.93 114.28 2k0f h MET 105 Ca -0.00 -0.03 0.01 0.00 -2.07 0.00 0.00 59.70 57.60 2k0f h MET 105 Cb 0.07 -0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 29.73 2k0f h MET 105 CO 0.00 0.32 0.57 1.15 1.07 0.00 0.00 176.91 180.02 2k0f h THR 106 N 0.14 1.23 0.00 2.22 2.02 -0.96 -2.27 112.91 115.29 2k0f h THR 106 Ca 0.03 -0.43 -0.19 0.00 0.77 0.00 0.00 66.41 66.59 2k0f h THR 106 Cb 0.38 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 2k0f h THR 106 CO 0.02 0.22 -0.92 0.78 0.37 0.00 0.00 175.52 175.99 2k0f h ASN 107 N 1.19 0.00 -0.17 4.18 2.35 -0.89 -2.34 115.58 119.90 2k0f h ASN 107 Ca 0.32 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.11 2k0f h ASN 107 Cb -0.13 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 2k0f h ASN 107 CO -0.07 0.92 0.12 -0.07 -1.65 0.00 0.00 177.43 176.68 2k0f h LEU 108 N 0.00 0.05 0.00 1.61 3.38 -1.43 -3.47 115.31 115.45 2k0f h LEU 108 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k0f h LEU 108 Cb 1.66 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.40 2k0f h LEU 108 CO 0.12 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.29 2k0f n GLY 109 N -1.56 1.86 3.94 0.83 0.00 -0.88 -4.88 105.19 104.49 2k0f n GLY 109 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 3.51 -0.39 1.61 0.41 -0.88 -5.01 118.70 117.95 2k0f s GLU 110 Ca 0.00 -0.29 -0.07 0.00 -0.41 0.00 0.00 54.97 54.20 2k0f s GLU 110 Cb 0.00 -2.67 0.07 0.00 -1.78 0.00 0.00 34.13 29.75 2k0f s GLU 110 CO 0.00 0.18 0.20 0.21 -0.49 0.00 0.00 175.26 175.35 2k0f s LYS 111 N -4.13 2.50 -0.14 1.61 2.20 -1.26 -4.33 119.74 116.18 2k0f s LYS 111 Ca 0.40 -1.44 -0.21 0.00 -0.36 0.00 0.00 55.97 54.36 2k0f s LYS 111 Cb -0.10 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.56 2k0f s LYS 111 CO 0.35 -0.88 0.63 -0.51 -0.36 0.00 0.00 175.35 174.58 2k0f s LEU 112 N 1.36 4.23 0.28 5.43 2.01 -1.26 -5.05 118.68 125.67 2k0f s LEU 112 Ca 0.02 0.97 0.11 0.00 0.01 0.00 0.00 54.13 55.24 2k0f s LEU 112 Cb -0.22 -2.93 -0.05 0.00 0.01 0.00 0.00 46.19 43.00 2k0f s LEU 112 CO 0.01 -0.17 -0.18 0.42 1.01 0.00 0.00 176.35 177.43 2k0f s THR 113 N 1.30 2.37 0.31 5.49 -4.23 -1.26 -5.05 115.64 114.57 2k0f s THR 113 Ca 0.32 -2.37 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 2k0f s THR 113 Cb -0.16 -2.30 0.28 0.00 1.34 0.00 0.00 72.50 71.65 2k0f s THR 113 CO 0.13 -0.40 1.93 0.44 -0.54 0.00 0.00 174.62 176.18 2k0f h ASP 114 N 2.28 0.90 -0.81 3.99 5.19 -2.00 -2.21 116.42 123.76 2k0f h ASP 114 Ca -0.40 -0.00 0.20 0.00 -0.62 0.00 0.00 57.03 56.20 2k0f h ASP 114 Cb 1.25 -0.20 -0.13 0.00 0.18 0.00 0.00 39.33 40.43 2k0f h ASP 114 CO 0.61 0.60 0.14 -0.33 -3.12 0.00 0.00 179.24 177.14 2k0f h GLU 115 N 1.03 0.18 -0.06 3.56 3.07 -1.99 -1.25 114.58 119.13 2k0f h GLU 115 Ca 0.36 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 59.15 2k0f h GLU 115 Cb 0.10 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 2k0f h GLU 115 CO -0.12 0.12 -0.19 0.93 -1.40 0.00 0.00 179.01 178.35 2k0f h GLU 116 N 0.18 0.23 -0.08 2.33 5.08 -1.82 -1.01 114.58 119.49 2k0f h GLU 116 Ca 0.47 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.70 2k0f h GLU 116 Cb 0.88 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.10 2k0f h GLU 116 CO -0.63 0.80 -0.35 0.28 -1.00 0.00 0.00 179.01 178.10 2k0f h VAL 117 N -0.30 0.25 -0.25 3.13 2.07 -1.16 0.15 116.25 120.14 2k0f h VAL 117 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 2k0f h VAL 117 Cb 0.82 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 2k0f h VAL 117 CO 0.04 0.00 -0.19 -0.78 0.02 0.00 0.00 177.57 176.66 2k0f h ASP 118 N -0.46 -0.63 -0.69 0.57 3.58 -1.29 -0.98 116.42 116.53 2k0f h ASP 118 Ca 0.08 0.12 0.06 0.00 0.42 0.00 0.00 57.03 57.72 2k0f h ASP 118 Cb 0.58 0.31 -0.09 0.00 1.72 0.00 0.00 39.33 41.86 2k0f h ASP 118 CO -0.34 -0.23 -0.43 -0.08 -2.88 0.00 0.00 179.24 175.28 2k0f h GLU 119 N -0.19 -0.03 -0.14 0.28 4.81 -1.02 -2.06 114.58 116.23 2k0f h GLU 119 Ca 0.14 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.42 2k0f h GLU 119 Cb 0.40 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.73 2k0f h GLU 119 CO -0.36 -0.02 -0.26 0.52 -0.73 0.00 0.00 179.01 178.16 2k0f h MET 120 N -0.03 -0.31 -0.48 1.92 2.86 -0.37 -2.24 114.93 116.28 2k0f h MET 120 Ca 0.11 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 2k0f h MET 120 Cb 0.31 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 2k0f h MET 120 CO -0.66 -0.21 0.30 -0.84 1.06 0.00 0.00 176.91 176.56 2k0f h ILE 121 N -0.32 1.08 -0.18 -1.22 3.07 -1.18 -3.21 117.51 115.55 2k0f h ILE 121 Ca 0.10 -0.21 -0.14 0.00 1.55 0.00 0.00 64.86 66.16 2k0f h ILE 121 Cb 0.48 0.42 -0.01 0.00 -0.27 0.00 0.00 36.82 37.44 2k0f h ILE 121 CO -0.32 0.11 -0.50 0.03 -1.05 0.00 0.00 178.15 176.42 2k0f h ARG 122 N 0.61 0.49 -0.06 0.16 3.08 -1.29 -2.19 114.38 115.18 2k0f h ARG 122 Ca 0.18 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 2k0f h ARG 122 Cb -0.03 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2k0f h ARG 122 CO -0.06 0.87 -0.17 1.05 -1.07 0.00 0.00 179.97 180.59 2k0f h GLU 123 N 0.39 0.10 0.14 0.04 4.11 -1.47 -3.30 114.58 114.58 2k0f h GLU 123 Ca 0.02 -0.02 -0.32 0.00 0.07 0.00 0.00 59.36 59.10 2k0f h GLU 123 Cb 1.01 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2k0f h GLU 123 CO 0.09 0.27 -1.62 0.00 0.07 0.00 0.00 179.01 177.82 2k0f h ALA 124 N 1.74 0.24 -2.44 1.06 0.00 -1.48 -3.47 119.26 114.92 2k0f h ALA 124 Ca 0.02 -1.13 -0.54 0.00 0.00 0.00 0.00 54.91 53.26 2k0f h ALA 124 Cb 0.36 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2k0f h ALA 124 CO 0.02 1.11 0.74 0.34 0.00 0.00 0.00 179.25 181.46 2k0f s ASP 125 N -7.08 6.90 -0.17 0.00 2.15 -0.85 -4.88 116.67 112.73 2k0f s ASP 125 Ca -0.12 2.13 -0.14 0.00 0.43 0.00 0.00 52.55 54.86 2k0f s ASP 125 Cb 0.06 -2.57 -0.08 0.00 -0.30 0.00 0.00 42.92 40.03 2k0f s ASP 125 CO 0.85 -0.64 -0.11 -0.38 -0.17 0.00 0.00 175.17 174.72 2k0f n ILE 126 N 4.32 1.47 0.19 4.11 5.41 -1.26 -4.82 119.36 128.78 2k0f n ILE 126 Ca 0.12 0.10 -0.08 0.00 1.00 0.00 0.00 62.75 63.89 2k0f n ILE 126 Cb 0.44 -2.26 -0.04 0.00 -0.71 0.00 0.00 39.64 37.07 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -1.00 -0.42 0.00 4.38 3.04 -1.95 -3.48 116.42 116.98 2k0f h ASP 127 Ca -0.14 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.66 2k0f h ASP 127 Cb 0.86 0.11 0.00 0.00 -1.04 0.00 0.00 39.33 39.26 2k0f h ASP 127 CO -0.09 -0.24 0.00 0.61 -2.04 0.00 0.00 179.24 177.49 2k0f n GLY 128 N -0.47 0.00 0.02 7.15 0.00 -1.26 -5.08 105.19 105.55 2k0f n GLY 128 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.97 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.00 3.30 0.00 1.61 5.68 -1.26 -4.99 116.55 120.89 2k0f n ASP 129 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2k0f n ASP 129 Cb 0.00 1.08 0.00 0.00 -1.14 0.00 0.00 41.12 41.06 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 130 N 2.27 0.89 3.63 6.12 0.00 -1.26 -5.01 105.19 111.82 2k0f n GLY 130 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 2k0f n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 131 N -0.59 4.11 -0.22 1.61 -0.21 -1.26 -4.52 119.66 118.58 2k0f s GLN 131 Ca 0.00 0.34 -0.24 0.00 0.02 0.00 0.00 55.36 55.48 2k0f s GLN 131 Cb 0.00 -3.62 -0.01 0.00 1.00 0.00 0.00 33.01 30.38 2k0f s GLN 131 CO 0.00 -0.28 0.81 0.08 -2.12 0.00 0.00 175.29 173.78 2k0f s VAL 132 N 2.06 4.87 0.00 1.09 1.01 -0.88 -4.86 120.40 123.69 2k0f s VAL 132 Ca 0.22 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.73 2k0f s VAL 132 Cb -0.15 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2k0f s VAL 132 CO 0.09 -0.03 0.00 -0.46 0.00 0.00 0.00 175.10 174.70 2k0f n ASN 133 N 5.75 0.00 0.00 3.32 0.23 -1.26 -1.93 115.26 121.37 2k0f n ASN 133 Ca 0.05 -0.08 0.00 0.00 -0.53 0.00 0.00 54.58 54.02 2k0f n ASN 133 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 2k0f n ASN 133 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k0f n TYR 134 N -0.12 0.00 -0.33 -2.53 9.36 -1.25 -2.80 117.16 119.48 2k0f n TYR 134 Ca 0.00 0.00 0.24 0.00 3.32 0.00 0.00 57.90 61.46 2k0f n TYR 134 Cb 0.00 -0.33 0.53 0.00 -0.63 0.00 0.00 39.34 38.91 2k0f n TYR 134 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2k0f h GLU 135 N 0.00 0.34 -0.26 2.98 5.08 -1.96 -0.29 114.58 120.47 2k0f h GLU 135 Ca 0.00 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 2k0f h GLU 135 Cb 0.00 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2k0f h GLU 135 CO 0.00 0.23 -0.30 0.93 -1.00 0.00 0.00 179.01 178.87 2k0f h GLU 136 N 0.36 0.67 -0.19 2.33 5.08 -1.91 -2.15 114.58 118.76 2k0f h GLU 136 Ca 0.61 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 2k0f h GLU 136 Cb 1.61 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 2k0f h GLU 136 CO -0.30 0.98 -0.01 0.35 -1.00 0.00 0.00 179.01 179.04 2k0f h PHE 137 N 0.39 0.37 -0.58 4.33 3.57 -0.94 -3.00 116.94 121.09 2k0f h PHE 137 Ca 0.04 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.50 2k0f h PHE 137 Cb 0.88 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 2k0f h PHE 137 CO 0.08 0.55 0.34 0.28 -2.23 0.00 0.00 178.31 177.32 2k0f h VAL 138 N 0.09 1.03 0.00 1.41 2.07 -1.11 -3.02 116.25 116.73 2k0f h VAL 138 Ca 0.05 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2k0f h VAL 138 Cb 0.40 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2k0f h VAL 138 CO 0.01 0.12 0.00 1.67 0.02 0.00 0.00 177.57 179.39 2k0f n GLN 139 N -4.78 0.21 -0.08 1.57 7.27 -0.82 -1.39 117.38 119.37 2k0f n GLN 139 Ca 0.05 0.32 -0.11 0.00 0.07 0.00 0.00 57.00 57.33 2k0f n GLN 139 Cb 0.10 -1.82 -0.05 0.00 2.41 0.00 0.00 30.24 30.88 2k0f n GLN 139 CO 0.00 0.00 0.00 0.52 0.07 0.00 0.00 177.06 177.65 2k0f h MET 140 N 0.00 0.41 0.14 3.69 2.86 -1.46 -3.36 114.93 117.21 2k0f h MET 140 Ca 0.00 -0.13 -0.32 0.00 -2.06 0.00 0.00 59.70 57.19 2k0f h MET 140 Cb 0.52 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 2k0f h MET 140 CO 0.00 0.59 -1.59 0.52 1.06 0.00 0.00 176.91 177.48 2k0f h MET 141 N 0.18 0.30 0.00 1.72 2.86 -1.29 -3.53 114.93 115.16 2k0f h MET 141 Ca 0.07 -0.50 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 2k0f h MET 141 Cb 0.40 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.25 2k0f h MET 141 CO 0.01 1.17 0.00 0.25 1.06 0.00 0.00 176.91 179.40