#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 0.12 -0.97 -2.82 4.81 -2.05 -0.18 114.58 113.49 2k0f h GLU 2 Ca 0.00 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2k0f h GLU 2 Cb 0.00 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 2k0f h GLU 2 CO 0.00 0.08 0.63 0.93 -0.73 0.00 0.00 179.01 179.92 2k0f h GLU 3 N 0.12 1.17 -0.06 1.92 3.07 -2.05 0.13 114.58 118.89 2k0f h GLU 3 Ca 0.37 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.15 2k0f h GLU 3 Cb 0.63 -0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 2k0f h GLU 3 CO -0.59 0.77 -0.02 1.96 -1.40 0.00 0.00 179.01 179.73 2k0f h GLN 4 N 1.21 0.11 -0.64 2.33 7.50 -1.79 -2.90 115.11 120.93 2k0f h GLN 4 Ca 0.40 -0.05 0.13 0.00 0.50 0.00 0.00 58.65 59.63 2k0f h GLN 4 Cb 0.04 -0.00 -0.10 0.00 0.05 0.00 0.00 27.48 27.47 2k0f h GLN 4 CO -0.14 0.47 0.09 0.82 -1.50 0.00 0.00 178.83 178.57 2k0f h ILE 5 N -0.25 0.54 -0.03 2.54 1.08 0.75 -1.17 117.51 120.97 2k0f h ILE 5 Ca 0.01 -0.07 0.01 0.00 -0.39 0.00 0.00 64.86 64.42 2k0f h ILE 5 Cb 0.44 0.33 -0.00 0.00 -3.07 0.00 0.00 36.82 34.51 2k0f h ILE 5 CO 0.01 0.04 0.03 0.00 -0.69 0.00 0.00 178.15 177.53 2k0f h ALA 6 N 1.55 1.71 0.29 1.87 0.00 -0.84 0.43 119.26 124.27 2k0f h ALA 6 Ca 0.34 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2k0f h ALA 6 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2k0f h ALA 6 CO -0.48 -0.04 -0.14 0.93 0.00 0.00 0.00 179.25 179.51 2k0f h GLU 7 N 0.00 -0.38 -0.40 0.00 5.08 -1.03 -1.47 114.58 116.38 2k0f h GLU 7 Ca 0.01 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2k0f h GLU 7 Cb 0.07 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2k0f h GLU 7 CO -0.00 -0.04 0.27 0.74 -1.00 0.00 0.00 179.01 178.98 2k0f h PHE 8 N -0.89 0.41 -0.35 4.33 0.04 -0.48 -2.09 116.94 117.91 2k0f h PHE 8 Ca -0.04 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.65 2k0f h PHE 8 Cb 0.51 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 2k0f h PHE 8 CO 0.04 0.24 -0.12 -0.22 -0.60 0.00 0.00 178.31 177.65 2k0f h LYS 9 N 0.43 0.69 -0.51 1.51 3.64 -0.17 -1.10 116.57 121.07 2k0f h LYS 9 Ca 0.16 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 2k0f h LYS 9 Cb 0.12 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2k0f h LYS 9 CO -0.04 0.88 0.19 0.93 -2.27 0.00 0.00 179.45 179.14 2k0f h GLU 10 N 0.48 0.73 -0.27 1.90 5.08 -0.99 -1.33 114.58 120.18 2k0f h GLU 10 Ca 0.08 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 2k0f h GLU 10 Cb 0.65 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2k0f h GLU 10 CO 0.04 0.61 -0.24 0.00 -1.00 0.00 0.00 179.01 178.43 2k0f h ALA 11 N 1.49 1.08 -0.47 3.43 0.00 -1.32 -3.08 119.26 120.40 2k0f h ALA 11 Ca 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2k0f h ALA 11 Cb 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2k0f h ALA 11 CO -0.01 0.56 0.23 0.35 0.00 0.00 0.00 179.25 180.38 2k0f h PHE 12 N 0.46 0.63 0.00 0.00 3.57 -0.37 -0.92 116.94 120.31 2k0f h PHE 12 Ca 0.07 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2k0f h PHE 12 Cb 0.66 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.20 2k0f h PHE 12 CO 0.02 0.46 0.00 0.43 -2.23 0.00 0.00 178.31 176.99 2k0f n SER 13 N -4.40 0.00 0.06 0.41 7.64 -0.58 -0.31 113.62 116.45 2k0f n SER 13 Ca 0.04 0.19 -0.07 0.00 1.01 0.00 0.00 58.87 60.04 2k0f n SER 13 Cb 0.11 -0.39 0.09 0.00 -1.01 0.00 0.00 64.21 63.02 2k0f n SER 13 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k0f h LEU 14 N 0.00 0.37 0.00 -3.43 3.38 -1.11 -3.39 115.31 111.13 2k0f h LEU 14 Ca 0.00 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 2k0f h LEU 14 Cb 0.35 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2k0f h LEU 14 CO 0.00 0.90 -0.75 -0.26 0.09 0.00 0.00 178.44 178.42 2k0f h PHE 15 N 0.24 0.00 -1.87 1.13 0.04 -0.91 -3.44 116.94 112.13 2k0f h PHE 15 Ca -0.01 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.15 2k0f h PHE 15 Cb 1.15 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.18 2k0f h PHE 15 CO 0.03 0.76 1.13 0.34 -0.60 0.00 0.00 178.31 179.96 2k0f s ASP 16 N -6.26 6.41 0.13 2.17 2.15 0.58 -4.71 116.67 117.14 2k0f s ASP 16 Ca -0.20 -1.30 -0.18 0.00 0.43 0.00 0.00 52.55 51.30 2k0f s ASP 16 Cb 0.03 -2.51 -0.03 0.00 -0.30 0.00 0.00 42.92 40.11 2k0f s ASP 16 CO 0.41 -1.47 1.72 0.11 -0.17 0.00 0.00 175.17 175.76 2k0f h LYS 17 N 9.61 0.46 0.26 4.34 1.79 -1.84 -3.38 116.57 127.79 2k0f h LYS 17 Ca 0.02 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 2k0f h LYS 17 Cb 1.03 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2k0f h LYS 17 CO 1.29 0.40 -0.13 0.38 -1.08 0.00 0.00 179.45 180.32 2k0f h ASP 18 N 0.39 -0.30 0.00 0.86 3.04 -1.94 -3.49 116.42 114.99 2k0f h ASP 18 Ca 0.11 -0.09 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 2k0f h ASP 18 Cb 0.09 0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.45 2k0f h ASP 18 CO -0.02 0.19 0.00 0.61 -2.04 0.00 0.00 179.24 177.98 2k0f n GLY 19 N 0.76 1.97 0.19 7.15 0.00 -1.26 -4.99 105.19 109.01 2k0f n GLY 19 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.00 0.00 1.61 3.04 -1.94 -3.48 116.42 115.65 2k0f h ASP 20 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 20 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 20 CO 0.00 0.20 0.00 0.61 -2.04 0.00 0.00 179.24 178.01 2k0f n GLY 21 N 1.14 0.96 3.10 7.15 0.00 -1.26 -5.08 105.19 111.20 2k0f n GLY 21 Ca 0.03 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 -0.28 -0.33 2.61 -4.23 -1.26 -3.12 115.64 107.03 2k0f s THR 22 Ca 0.00 0.20 -0.27 0.00 -1.18 0.00 0.00 61.69 60.43 2k0f s THR 22 Cb 0.00 -0.48 0.01 0.00 1.34 0.00 0.00 72.50 73.37 2k0f s THR 22 CO 0.00 0.08 1.00 -0.63 -0.54 0.00 0.00 174.62 174.53 2k0f s ILE 23 N 1.97 4.57 0.49 2.99 1.01 0.12 -4.89 121.20 127.46 2k0f s ILE 23 Ca -0.04 1.54 0.01 0.00 0.00 0.00 0.00 60.65 62.16 2k0f s ILE 23 Cb -0.11 -4.36 0.01 0.00 0.01 0.00 0.00 42.46 38.02 2k0f s ILE 23 CO -0.10 -0.45 0.71 0.42 0.00 0.00 0.00 174.94 175.52 2k0f s THR 24 N 3.50 3.47 0.39 2.92 -4.23 -1.26 -3.31 115.64 117.12 2k0f s THR 24 Ca 0.42 -0.56 0.13 0.00 -1.18 0.00 0.00 61.69 60.50 2k0f s THR 24 Cb -0.12 -3.29 0.34 0.00 1.34 0.00 0.00 72.50 70.77 2k0f s THR 24 CO 0.15 -0.20 1.88 0.71 -0.54 0.00 0.00 174.62 176.62 2k0f h THR 25 N 0.26 0.79 -0.07 3.99 1.35 -1.93 0.30 112.91 117.60 2k0f h THR 25 Ca -0.44 -0.19 -0.02 0.00 -0.55 0.00 0.00 66.41 65.21 2k0f h THR 25 Cb 1.27 0.20 -0.00 0.00 -1.73 0.00 0.00 68.15 67.89 2k0f h THR 25 CO 0.55 0.10 -0.04 0.11 -0.25 0.00 0.00 175.52 175.99 2k0f h LYS 26 N 0.55 0.15 -0.61 4.72 1.79 -1.98 -0.63 116.57 120.56 2k0f h LYS 26 Ca 0.43 -0.07 -0.05 0.00 -2.18 0.00 0.00 60.65 58.78 2k0f h LYS 26 Cb 0.85 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.47 2k0f h LYS 26 CO -0.17 0.53 0.20 0.93 -1.08 0.00 0.00 179.45 179.86 2k0f h GLU 27 N -0.23 0.94 -0.35 3.15 5.08 -1.76 -2.29 114.58 119.11 2k0f h GLU 27 Ca 0.02 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.04 2k0f h GLU 27 Cb 0.49 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2k0f h GLU 27 CO 0.01 0.83 -0.33 1.25 -1.00 0.00 0.00 179.01 179.77 2k0f h LEU 28 N 0.86 0.90 -0.31 1.33 5.85 -1.02 -2.15 115.31 120.77 2k0f h LEU 28 Ca 0.20 -0.46 0.07 0.00 0.84 0.00 0.00 57.88 58.52 2k0f h LEU 28 Cb 0.28 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 2k0f h LEU 28 CO -0.01 1.17 -0.29 1.23 -0.34 0.00 0.00 178.44 180.20 2k0f h GLY 29 N 0.63 -0.23 0.47 3.75 0.00 -1.05 -0.19 103.07 106.45 2k0f h GLY 29 Ca 0.06 0.37 0.08 0.00 0.00 0.00 0.00 47.33 47.83 2k0f h GLY 29 CO 0.08 -0.21 0.16 -0.84 0.00 0.00 0.00 176.54 175.74 2k0f h THR 30 N -0.27 0.79 0.21 4.70 2.02 -1.21 0.14 112.91 119.29 2k0f h THR 30 Ca 0.15 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.23 2k0f h THR 30 Cb 0.51 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 2k0f h THR 30 CO -0.46 0.06 -0.41 0.58 0.37 0.00 0.00 175.52 175.66 2k0f h VAL 31 N 0.33 0.18 -0.80 3.16 2.07 -0.99 -1.91 116.25 118.28 2k0f h VAL 31 Ca 0.25 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.78 2k0f h VAL 31 Cb 0.29 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 2k0f h VAL 31 CO -0.27 0.00 0.53 0.24 0.02 0.00 0.00 177.57 178.08 2k0f h MET 32 N -0.70 1.06 0.00 1.57 2.86 -0.60 -2.77 114.93 116.35 2k0f h MET 32 Ca 0.00 -0.07 -0.14 0.00 -2.06 0.00 0.00 59.70 57.44 2k0f h MET 32 Cb 0.69 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 2k0f h MET 32 CO -0.18 0.71 -0.66 0.00 1.06 0.00 0.00 176.91 177.83 2k0f h ARG 33 N 1.09 0.00 -0.30 1.72 3.08 -0.75 -1.73 114.38 117.48 2k0f h ARG 33 Ca 0.29 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.30 2k0f h ARG 33 Cb -0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2k0f h ARG 33 CO -0.06 0.66 0.00 0.77 -1.07 0.00 0.00 179.97 180.27 2k0f h SER 34 N 0.00 0.52 0.41 7.04 0.02 -1.08 -2.45 113.55 118.02 2k0f h SER 34 Ca -0.01 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2k0f h SER 34 Cb 1.29 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2k0f h SER 34 CO 0.09 0.70 0.00 0.18 -1.14 0.00 0.00 176.83 176.66 2k0f n LEU 35 N -4.57 0.53 -0.08 5.07 4.77 -1.07 -4.93 117.00 116.72 2k0f n LEU 35 Ca -0.03 0.67 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 2k0f n LEU 35 Cb 0.26 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 2k0f n LEU 35 CO 0.39 -0.66 0.00 0.61 -1.33 0.00 0.00 177.39 176.40 2k0f n GLY 36 N -0.55 0.87 3.19 -0.72 0.00 -0.67 -5.07 105.19 102.24 2k0f n GLY 36 Ca 0.01 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 2k0f n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 37 N -2.05 0.90 -0.59 1.61 0.74 -1.10 -4.99 119.66 114.18 2k0f s GLN 37 Ca 0.00 -1.27 0.05 0.00 0.05 0.00 0.00 55.36 54.20 2k0f s GLN 37 Cb 0.00 0.28 0.32 0.00 1.10 0.00 0.00 33.01 34.71 2k0f s GLN 37 CO 0.00 -0.26 0.90 0.09 -0.55 0.00 0.00 175.29 175.47 2k0f n ASN 38 N -0.07 4.24 -4.86 6.67 3.02 -1.26 -3.96 115.26 119.04 2k0f n ASN 38 Ca -0.09 -3.62 -0.30 0.00 -0.03 0.00 0.00 54.58 50.54 2k0f n ASN 38 Cb 0.63 -0.58 0.06 0.00 -0.61 0.00 0.00 39.78 39.27 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2k0f s PRO 39 N -3.24 2.61 0.56 3.52 0.04 -1.26 -5.05 135.00 132.18 2k0f s PRO 39 Ca 0.47 0.49 -0.08 0.00 0.04 0.00 0.00 61.00 61.91 2k0f s PRO 39 Cb 0.25 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.77 2k0f s PRO 39 CO -0.11 -1.22 0.92 0.95 0.04 0.00 0.00 177.00 177.58 2k0f s THR 40 N -3.32 4.70 0.32 1.26 -4.23 -1.26 -5.01 115.64 108.11 2k0f s THR 40 Ca 0.59 0.51 0.10 0.00 -1.18 0.00 0.00 61.69 61.71 2k0f s THR 40 Cb -0.12 -3.83 0.05 0.00 1.34 0.00 0.00 72.50 69.94 2k0f s THR 40 CO 0.52 -0.96 1.74 -0.33 -0.54 0.00 0.00 174.62 175.05 2k0f h GLU 41 N -0.08 0.10 -0.72 3.99 5.08 -1.97 -2.32 114.58 118.66 2k0f h GLU 41 Ca -0.45 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2k0f h GLU 41 Cb 1.20 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 2k0f h GLU 41 CO 0.62 0.51 0.47 0.00 -1.00 0.00 0.00 179.01 179.61 2k0f h ALA 42 N 1.48 0.92 0.16 3.43 0.00 -1.98 -2.26 119.26 121.01 2k0f h ALA 42 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2k0f h ALA 42 Cb 0.80 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k0f h ALA 42 CO 0.06 0.35 -0.08 0.93 0.00 0.00 0.00 179.25 180.51 2k0f h GLU 43 N 0.98 -0.21 -0.84 0.00 5.08 -1.82 -2.37 114.58 115.41 2k0f h GLU 43 Ca 0.26 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.76 2k0f h GLU 43 Cb -0.10 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 2k0f h GLU 43 CO -0.06 0.09 0.54 -0.07 -1.00 0.00 0.00 179.01 178.52 2k0f h LEU 44 N -0.51 0.65 -1.18 1.33 3.38 -1.53 -1.30 115.31 116.15 2k0f h LEU 44 Ca -0.02 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2k0f h LEU 44 Cb 0.39 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2k0f h LEU 44 CO 0.04 0.36 -0.37 -0.61 0.09 0.00 0.00 178.44 177.94 2k0f h GLN 45 N 0.71 0.00 0.07 1.13 4.15 -1.26 -0.11 115.11 119.78 2k0f h GLN 45 Ca 0.40 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.61 2k0f h GLN 45 Cb 0.58 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.29 2k0f h GLN 45 CO -0.17 0.37 -0.85 0.22 -1.93 0.00 0.00 178.83 176.47 2k0f h ASP 46 N 0.00 0.64 0.12 -0.69 3.58 -0.96 -0.90 116.42 118.21 2k0f h ASP 46 Ca -0.00 -0.82 0.01 0.00 0.42 0.00 0.00 57.03 56.63 2k0f h ASP 46 Cb 0.75 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 2k0f h ASP 46 CO 0.05 1.39 -0.17 0.24 -2.88 0.00 0.00 179.24 177.87 2k0f h MET 47 N -0.03 -0.32 -0.18 0.28 2.86 -1.02 -1.67 114.93 114.84 2k0f h MET 47 Ca -0.13 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.59 2k0f h MET 47 Cb 1.58 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 33.26 2k0f h MET 47 CO 0.16 -0.22 -0.18 0.82 1.06 0.00 0.00 176.91 178.56 2k0f h ILE 48 N -0.34 0.52 0.00 -1.22 2.04 -1.12 -3.16 117.51 114.23 2k0f h ILE 48 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2k0f h ILE 48 Cb 0.34 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2k0f h ILE 48 CO -0.08 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.66 2k0f n ASN 49 N -5.33 0.50 0.01 1.72 3.02 -0.34 -0.41 115.26 114.43 2k0f n ASN 49 Ca -0.02 0.66 -0.13 0.00 -0.03 0.00 0.00 54.58 55.06 2k0f n ASN 49 Cb 0.24 -0.75 -0.10 0.00 -0.61 0.00 0.00 39.78 38.57 2k0f n ASN 49 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2k0f h GLU 50 N 0.00 -0.05 0.00 3.52 4.57 -1.28 -3.39 114.58 117.95 2k0f h GLU 50 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2k0f h GLU 50 Cb 0.22 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2k0f h GLU 50 CO 0.00 0.42 -0.60 1.33 -1.18 0.00 0.00 179.01 178.97 2k0f n VAL 51 N -4.89 0.29 -2.43 0.32 0.24 -0.79 -4.79 118.33 106.29 2k0f n VAL 51 Ca -0.08 -0.23 -0.42 0.00 -2.04 0.00 0.00 64.34 61.57 2k0f n VAL 51 Cb 0.25 -0.07 -0.03 0.00 -1.47 0.00 0.00 33.84 32.52 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 -4.02 7.06 -0.22 -1.34 2.15 0.45 -4.84 116.67 115.92 2k0f s ASP 52 Ca 0.07 1.94 -0.17 0.00 0.43 0.00 0.00 52.55 54.82 2k0f s ASP 52 Cb 0.14 -2.57 -0.13 0.00 -0.30 0.00 0.00 42.92 40.06 2k0f s ASP 52 CO 0.72 -0.52 -0.13 0.00 -0.17 0.00 0.00 175.17 175.07 2k0f n ALA 53 N 4.46 0.91 -0.38 3.66 0.00 -1.26 -4.56 120.51 123.34 2k0f n ALA 53 Ca 0.10 -0.75 -0.01 0.00 0.00 0.00 0.00 53.44 52.77 2k0f n ALA 53 Cb 0.46 -0.15 0.12 0.00 0.00 0.00 0.00 19.45 19.89 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N -1.00 1.14 0.00 0.00 3.04 -1.93 -3.47 116.42 114.19 2k0f h ASP 54 Ca -0.39 -0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.37 2k0f h ASP 54 Cb 1.28 -0.27 0.00 0.00 -1.04 0.00 0.00 39.33 39.30 2k0f h ASP 54 CO -0.24 0.80 0.00 0.61 -2.04 0.00 0.00 179.24 178.38 2k0f n GLY 55 N -1.38 1.32 0.17 7.15 0.00 -1.26 -5.01 105.19 106.18 2k0f n GLY 55 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 1.61 7.08 -1.94 -3.48 115.58 118.85 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 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 0.19 0.00 0.61 -2.08 0.00 0.00 177.43 176.15 2k0f n GLY 57 N 1.18 0.82 2.93 9.14 0.00 -1.26 -5.06 105.19 112.94 2k0f n GLY 57 Ca 0.01 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.00 0.29 -0.25 2.61 -4.23 -1.26 -4.80 115.64 105.99 2k0f s THR 58 Ca 0.00 -0.18 -0.29 0.00 -1.18 0.00 0.00 61.69 60.04 2k0f s THR 58 Cb 0.00 -0.25 -0.02 0.00 1.34 0.00 0.00 72.50 73.57 2k0f s THR 58 CO 0.00 0.06 1.59 -0.51 -0.54 0.00 0.00 174.62 175.22 2k0f s ILE 59 N -0.13 3.73 0.70 2.99 2.07 -1.21 -4.74 121.20 124.62 2k0f s ILE 59 Ca 0.01 0.81 -0.05 0.00 -1.41 0.00 0.00 60.65 60.02 2k0f s ILE 59 Cb -0.02 -3.77 0.08 0.00 0.13 0.00 0.00 42.46 38.89 2k0f s ILE 59 CO -0.00 -0.35 0.99 -1.81 -1.91 0.00 0.00 174.94 171.86 2k0f s ASP 60 N 4.24 4.64 0.03 4.50 1.11 -1.26 0.12 116.67 130.05 2k0f s ASP 60 Ca 0.70 0.15 -0.27 0.00 0.18 0.00 0.00 52.55 53.31 2k0f s ASP 60 Cb -0.23 -0.73 -0.17 0.00 1.07 0.00 0.00 42.92 42.86 2k0f s ASP 60 CO 0.29 -1.67 1.32 0.15 1.18 0.00 0.00 175.17 176.44 2k0f h PHE 61 N -0.54 -0.55 0.00 4.23 3.57 -1.95 -2.64 116.94 119.06 2k0f h PHE 61 Ca -0.42 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 2k0f h PHE 61 Cb 1.29 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 40.21 2k0f h PHE 61 CO 0.08 -0.24 -0.05 -1.35 -2.23 0.00 0.00 178.31 174.52 2k0f h PRO 62 N -0.84 0.00 0.07 6.41 0.11 -1.96 -0.85 132.00 134.94 2k0f h PRO 62 Ca -0.06 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 2k0f h PRO 62 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2k0f h PRO 62 CO 0.10 0.05 -0.03 0.93 -0.21 0.00 0.00 178.00 178.83 2k0f h GLU 63 N 0.00 -0.09 -0.81 1.05 5.08 -1.91 -1.57 114.58 116.33 2k0f h GLU 63 Ca -0.00 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.52 2k0f h GLU 63 Cb 0.19 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 29.32 2k0f h GLU 63 CO 0.01 0.18 -0.27 0.35 -1.00 0.00 0.00 179.01 178.27 2k0f h PHE 64 N -0.36 -0.68 -0.41 4.33 3.04 -1.08 -2.02 116.94 119.76 2k0f h PHE 64 Ca -0.01 0.08 0.05 0.00 3.98 0.00 0.00 57.97 62.07 2k0f h PHE 64 Cb 0.31 0.42 -0.05 0.00 2.56 0.00 0.00 35.95 39.20 2k0f h PHE 64 CO 0.01 -0.37 0.14 -0.07 -2.02 0.00 0.00 178.31 176.00 2k0f h LEU 65 N -0.04 0.15 -1.59 0.59 3.38 -1.19 -0.68 115.31 115.94 2k0f h LEU 65 Ca 0.35 0.05 0.28 0.00 0.09 0.00 0.00 57.88 58.65 2k0f h LEU 65 Cb 0.60 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.30 2k0f h LEU 65 CO -0.85 0.12 0.71 0.74 0.09 0.00 0.00 178.44 179.25 2k0f h THR 66 N 0.30 0.50 0.09 0.22 2.02 -0.96 -0.85 112.91 114.24 2k0f h THR 66 Ca 0.19 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 2k0f h THR 66 Cb 0.17 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2k0f h THR 66 CO -0.19 0.05 -0.04 -0.03 0.37 0.00 0.00 175.52 175.67 2k0f h MET 67 N 0.26 -0.12 0.18 6.66 1.85 -1.13 -3.39 114.93 119.23 2k0f h MET 67 Ca 0.57 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.66 2k0f h MET 67 Cb 1.71 0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.77 2k0f h MET 67 CO -0.19 -0.08 -0.08 0.52 -0.40 0.00 0.00 176.91 176.67 2k0f h MET 68 N -0.71 -0.23 -0.38 0.39 2.07 -1.04 -3.36 114.93 111.68 2k0f h MET 68 Ca -0.01 0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2k0f h MET 68 Cb 0.10 0.05 0.00 0.00 -1.87 0.00 0.00 31.60 29.88 2k0f h MET 68 CO 0.02 0.19 0.00 0.00 1.07 0.00 0.00 176.91 178.19 2k0f n ALA 69 N -2.52 2.54 -2.40 6.32 0.00 -0.33 -4.71 120.51 119.41 2k0f n ALA 69 Ca -0.08 -0.57 -0.36 0.00 0.00 0.00 0.00 53.44 52.42 2k0f n ALA 69 Cb 0.26 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.61 3.97 -0.28 0.00 3.52 -1.25 -5.02 118.95 118.28 2k0f s ARG 70 Ca 0.21 0.47 -0.29 0.00 -0.13 0.00 0.00 55.73 55.99 2k0f s ARG 70 Cb 0.12 -3.05 -0.02 0.00 -1.56 0.00 0.00 34.95 30.44 2k0f s ARG 70 CO 0.13 0.56 1.78 0.21 -0.81 0.00 0.00 175.30 177.16 2k0f s LYS 71 N -1.65 3.47 0.59 5.12 2.47 -1.26 -5.03 119.74 123.45 2k0f s LYS 71 Ca 0.33 1.55 0.02 0.00 -1.56 0.00 0.00 55.97 56.32 2k0f s LYS 71 Cb -0.16 -4.16 0.07 0.00 -1.46 0.00 0.00 37.83 32.11 2k0f s LYS 71 CO 0.18 -1.70 0.83 0.00 0.16 0.00 0.00 175.35 174.82 2k0f s MET 72 N 5.40 2.27 0.63 4.03 0.23 -1.26 -5.10 119.30 125.50 2k0f s MET 72 Ca 0.79 -1.03 -0.17 0.00 -1.03 0.00 0.00 55.69 54.25 2k0f s MET 72 Cb -0.24 -2.48 -0.01 0.00 -1.53 0.00 0.00 34.83 30.56 2k0f s MET 72 CO 0.33 -0.92 1.14 -1.59 -2.03 0.00 0.00 175.02 171.95 2k0f s LYS 73 N -4.83 2.88 -0.03 3.16 -2.85 -1.26 -4.95 119.74 111.86 2k0f s LYS 73 Ca 0.60 1.53 0.07 0.00 -1.00 0.00 0.00 55.97 57.18 2k0f s LYS 73 Cb -0.08 -1.95 0.25 0.00 -2.06 0.00 0.00 37.83 33.99 2k0f s LYS 73 CO 0.40 -1.21 1.09 -0.25 0.10 0.00 0.00 175.35 175.48 2k0f n ASP 74 N -2.08 1.82 -0.02 0.03 9.92 -1.26 -3.59 116.55 121.37 2k0f n ASP 74 Ca 0.11 -2.12 -0.13 0.00 -0.53 0.00 0.00 54.79 52.13 2k0f n ASP 74 Cb 0.51 -0.31 -0.14 0.00 -0.64 0.00 0.00 41.12 40.54 2k0f n ASP 74 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2k0f n THR 75 N 0.23 1.65 0.28 -3.53 -2.24 -1.26 -4.23 114.28 105.18 2k0f n THR 75 Ca 0.09 -0.75 0.15 0.00 -2.27 0.00 0.00 64.05 61.27 2k0f n THR 75 Cb 0.35 -1.24 0.47 0.00 -2.10 0.00 0.00 70.33 67.81 2k0f n THR 75 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 76 N 0.02 0.00 -0.41 3.42 3.32 -1.98 -3.33 116.42 117.46 2k0f h ASP 76 Ca -0.36 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 2k0f h ASP 76 Cb 2.03 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.56 2k0f h ASP 76 CO 0.07 0.00 0.24 0.28 -1.72 0.00 0.00 179.24 178.11 2k0f h SER 77 N 0.00 0.52 0.61 6.45 0.02 -1.78 -1.15 113.55 118.22 2k0f h SER 77 Ca 0.00 -0.03 -0.24 0.00 -0.84 0.00 0.00 61.79 60.68 2k0f h SER 77 Cb 0.70 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 2k0f h SER 77 CO 0.00 0.42 -1.08 -0.08 -1.14 0.00 0.00 176.83 174.95 2k0f h GLU 78 N 0.60 0.25 -0.39 3.45 4.81 -1.86 -2.23 114.58 119.21 2k0f h GLU 78 Ca 0.16 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 2k0f h GLU 78 Cb 0.01 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 2k0f h GLU 78 CO -0.03 1.12 0.13 0.93 -0.73 0.00 0.00 179.01 180.43 2k0f h GLU 79 N 0.10 0.61 -0.13 1.92 5.08 -1.67 -2.82 114.58 117.66 2k0f h GLU 79 Ca -0.09 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2k0f h GLU 79 Cb 1.78 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 2k0f h GLU 79 CO 0.17 0.61 0.05 1.49 -1.00 0.00 0.00 179.01 180.33 2k0f h GLU 80 N 0.49 0.20 0.00 2.33 4.81 -1.25 -3.11 114.58 118.06 2k0f h GLU 80 Ca 0.13 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 2k0f h GLU 80 Cb 0.25 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2k0f h GLU 80 CO -0.01 0.31 -0.68 0.97 -0.73 0.00 0.00 179.01 178.87 2k0f h ILE 81 N 0.05 1.45 -0.04 2.32 6.09 -1.44 -0.18 117.51 125.77 2k0f h ILE 81 Ca 0.04 -2.36 -0.12 0.00 -1.37 0.00 0.00 64.86 61.05 2k0f h ILE 81 Cb 0.18 2.28 -0.01 0.00 0.47 0.00 0.00 36.82 39.74 2k0f h ILE 81 CO -0.00 0.67 -0.54 0.03 -3.07 0.00 0.00 178.15 175.23 2k0f h ARG 82 N 0.00 0.11 0.09 2.19 3.08 -1.58 -2.59 114.38 115.68 2k0f h ARG 82 Ca -0.01 -0.07 -0.20 0.00 0.07 0.00 0.00 59.98 59.78 2k0f h ARG 82 Cb 1.23 0.01 0.02 0.00 0.08 0.00 0.00 29.97 31.31 2k0f h ARG 82 CO 0.09 0.63 -0.83 1.49 -1.07 0.00 0.00 179.97 180.28 2k0f h GLU 83 N 0.09 0.40 -0.89 0.04 4.57 -1.43 -3.32 114.58 114.03 2k0f h GLU 83 Ca -0.00 -0.55 0.24 0.00 -1.18 0.00 0.00 59.36 57.87 2k0f h GLU 83 Cb 0.99 0.19 -0.14 0.00 -0.16 0.00 0.00 28.75 29.63 2k0f h GLU 83 CO 0.08 1.22 0.30 0.00 -1.18 0.00 0.00 179.01 179.43 2k0f h ALA 84 N 0.20 1.38 0.02 2.92 0.00 -1.03 -1.90 119.26 120.84 2k0f h ALA 84 Ca -0.13 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2k0f h ALA 84 Cb 1.59 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 19.61 2k0f h ALA 84 CO 0.16 -0.46 -0.21 0.35 0.00 0.00 0.00 179.25 179.09 2k0f h PHE 85 N 0.26 -0.57 -0.20 0.00 3.04 -1.56 -3.06 116.94 114.85 2k0f h PHE 85 Ca 0.57 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.48 2k0f h PHE 85 Cb 1.16 0.25 -0.04 0.00 2.56 0.00 0.00 35.95 39.89 2k0f h PHE 85 CO -0.21 -0.30 0.08 2.89 -2.02 0.00 0.00 178.31 178.74 2k0f n ARG 86 N -5.34 1.72 -0.07 1.11 1.85 -0.72 -0.50 116.66 114.72 2k0f n ARG 86 Ca -0.05 -0.81 -0.22 0.00 -1.00 0.00 0.00 57.85 55.77 2k0f n ARG 86 Cb 0.26 -1.53 -0.12 0.00 -1.05 0.00 0.00 32.46 30.01 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2k0f n VAL 87 N 0.12 1.62 0.11 8.89 0.31 -1.16 -4.62 118.33 123.61 2k0f n VAL 87 Ca 0.11 -0.29 -0.11 0.00 -0.01 0.00 0.00 64.34 64.04 2k0f n VAL 87 Cb 0.64 -1.91 -0.07 0.00 -0.91 0.00 0.00 33.84 31.59 2k0f n VAL 87 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2k0f h PHE 88 N -0.59 -0.32 -3.07 3.52 -1.00 -1.26 -3.41 116.94 110.81 2k0f h PHE 88 Ca -0.41 -0.01 -0.54 0.00 2.81 0.00 0.00 57.97 59.83 2k0f h PHE 88 Cb 1.60 0.11 -0.00 0.00 3.61 0.00 0.00 35.95 41.26 2k0f h PHE 88 CO 0.08 0.03 0.69 0.34 -1.61 0.00 0.00 178.31 177.84 2k0f s ASP 89 N -5.25 6.99 -0.27 2.17 -1.08 0.34 -4.14 116.67 115.45 2k0f s ASP 89 Ca -0.12 1.99 -0.04 0.00 -0.52 0.00 0.00 52.55 53.86 2k0f s ASP 89 Cb 0.01 -2.57 -0.15 0.00 -1.46 0.00 0.00 42.92 38.75 2k0f s ASP 89 CO 0.44 -0.58 -0.28 1.17 0.52 0.00 0.00 175.17 176.43 2k0f n LYS 90 N 4.71 0.63 0.07 4.34 3.00 -1.26 -4.38 118.16 125.26 2k0f n LYS 90 Ca 0.11 0.19 0.08 0.00 -0.00 0.00 0.00 58.31 58.69 2k0f n LYS 90 Cb 0.45 -1.51 -0.05 0.00 0.00 0.00 0.00 35.03 33.93 2k0f n LYS 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2k0f n ASP 91 N -3.66 0.71 -0.44 3.14 5.68 -1.26 -5.01 116.55 115.71 2k0f n ASP 91 Ca -0.50 0.29 0.00 0.00 -0.50 0.00 0.00 54.79 54.08 2k0f n ASP 91 Cb 0.95 0.61 0.00 0.00 -1.14 0.00 0.00 41.12 41.54 2k0f n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 92 N 1.26 0.76 0.00 6.12 0.00 -1.26 -5.04 105.19 107.03 2k0f n GLY 92 Ca -0.04 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.44 4.03 0.00 1.61 6.94 -1.26 -5.01 115.26 121.12 2k0f n ASN 93 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2k0f n ASN 93 Cb 0.17 0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 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 2.63 1.20 3.53 4.83 0.00 -1.26 -5.11 105.19 111.01 2k0f n GLY 94 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.84 2.81 -0.39 1.61 2.02 -1.26 -4.26 117.35 116.04 2k0f s TYR 95 Ca 0.00 -0.08 -0.14 0.00 -0.37 0.00 0.00 57.07 56.48 2k0f s TYR 95 Cb 0.00 -1.64 0.01 0.00 -0.40 0.00 0.00 41.96 39.92 2k0f s TYR 95 CO 0.00 0.27 0.28 0.42 -1.57 0.00 0.00 175.55 174.95 2k0f s ILE 96 N -0.81 5.23 0.84 2.71 1.01 -0.17 -4.77 121.20 125.24 2k0f s ILE 96 Ca 0.13 -0.53 -0.08 0.00 0.00 0.00 0.00 60.65 60.17 2k0f s ILE 96 Cb -0.11 -3.84 0.17 0.00 0.01 0.00 0.00 42.46 38.69 2k0f s ILE 96 CO 0.02 -0.21 1.16 -0.55 0.00 0.00 0.00 174.94 175.36 2k0f s SER 97 N 1.69 3.68 0.07 3.58 0.15 -1.26 -2.96 113.70 118.65 2k0f s SER 97 Ca 0.05 -0.15 -0.21 0.00 0.70 0.00 0.00 55.95 56.34 2k0f s SER 97 Cb -0.18 -0.02 -0.11 0.00 -1.71 0.00 0.00 66.02 63.99 2k0f s SER 97 CO 0.10 -2.33 1.57 0.00 1.20 0.00 0.00 173.24 173.78 2k0f h ALA 98 N -1.08 0.19 -0.59 5.45 0.00 -1.93 -2.73 119.26 118.58 2k0f h ALA 98 Ca -0.39 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2k0f h ALA 98 Cb 1.25 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2k0f h ALA 98 CO 0.37 -0.18 0.39 0.00 0.00 0.00 0.00 179.25 179.83 2k0f h ALA 99 N 0.84 0.75 -1.01 0.00 0.00 -1.96 -3.05 119.26 114.85 2k0f h ALA 99 Ca 0.05 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.04 2k0f h ALA 99 Cb 0.25 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 17.71 2k0f h ALA 99 CO -0.00 0.19 0.63 0.93 0.00 0.00 0.00 179.25 181.00 2k0f h GLU 100 N 0.80 0.94 -0.42 0.00 5.08 -1.82 -1.80 114.58 117.37 2k0f h GLU 100 Ca 0.22 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2k0f h GLU 100 Cb -0.09 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 28.93 2k0f h GLU 100 CO -0.05 0.62 0.17 1.25 -1.00 0.00 0.00 179.01 180.01 2k0f h LEU 101 N 0.97 0.57 -0.76 1.33 5.85 -1.45 -2.80 115.31 119.02 2k0f h LEU 101 Ca 0.51 -0.16 0.10 0.00 0.84 0.00 0.00 57.88 59.17 2k0f h LEU 101 Cb 0.53 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 2k0f h LEU 101 CO -0.28 0.58 0.40 -0.09 -0.34 0.00 0.00 178.44 178.71 2k0f h ARG 102 N 0.53 0.64 0.33 1.25 2.43 -1.38 -3.12 114.38 115.06 2k0f h ARG 102 Ca 0.14 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2k0f h ARG 102 Cb 0.18 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2k0f h ARG 102 CO -0.01 0.42 -0.41 0.45 -1.51 0.00 0.00 179.97 178.91 2k0f h HIS 103 N 0.66 -1.13 -0.95 2.20 3.86 -1.05 0.18 115.15 118.91 2k0f h HIS 103 Ca 0.38 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.67 2k0f h HIS 103 Cb 0.41 0.45 -0.06 0.00 1.06 0.00 0.00 27.41 29.26 2k0f h HIS 103 CO -0.09 -0.55 0.62 -0.24 0.86 0.00 0.00 177.93 178.53 2k0f h VAL 104 N -0.78 1.06 0.08 2.45 3.04 -1.58 0.45 116.25 120.97 2k0f h VAL 104 Ca -0.02 -0.37 -0.00 0.00 -1.01 0.00 0.00 66.70 65.29 2k0f h VAL 104 Cb 0.72 -0.12 0.00 0.00 -2.01 0.00 0.00 31.29 29.89 2k0f h VAL 104 CO -0.11 0.20 -0.04 0.24 -1.01 0.00 0.00 177.57 176.85 2k0f h MET 105 N 1.08 -0.11 -0.45 4.17 2.07 -1.41 0.63 114.93 120.91 2k0f h MET 105 Ca 0.42 0.01 0.08 0.00 -2.07 0.00 0.00 59.70 58.13 2k0f h MET 105 Cb 0.22 0.02 -0.07 0.00 -1.87 0.00 0.00 31.60 29.91 2k0f h MET 105 CO -0.17 0.29 0.06 1.15 1.07 0.00 0.00 176.91 179.31 2k0f h THR 106 N -0.53 0.72 -0.37 2.22 2.02 -0.20 0.63 112.91 117.40 2k0f h THR 106 Ca -0.01 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2k0f h THR 106 Cb 0.45 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 2k0f h THR 106 CO 0.02 0.03 0.24 0.78 0.37 0.00 0.00 175.52 176.96 2k0f h ASN 107 N 0.18 0.42 0.65 4.18 2.35 -0.07 -2.90 115.58 120.39 2k0f h ASN 107 Ca 0.22 -0.01 -0.27 0.00 -0.55 0.00 0.00 56.30 55.69 2k0f h ASN 107 Cb 0.30 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 2k0f h ASN 107 CO -0.32 0.31 -1.44 -0.07 -1.65 0.00 0.00 177.43 174.26 2k0f h LEU 108 N 0.50 0.09 0.00 1.61 3.38 -0.53 -3.43 115.31 116.93 2k0f h LEU 108 Ca 0.13 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k0f h LEU 108 Cb -0.06 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2k0f h LEU 108 CO -0.03 1.12 0.00 0.61 0.09 0.00 0.00 178.44 180.23 2k0f n GLY 109 N 1.52 0.78 3.77 0.83 0.00 -0.15 -4.84 105.19 107.10 2k0f n GLY 109 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 2k0f n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0f s GLU 110 N 0.00 4.12 -0.38 1.61 2.56 0.20 -4.94 118.70 121.86 2k0f s GLU 110 Ca 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 54.97 55.15 2k0f s GLU 110 Cb 0.00 -3.35 0.08 0.00 2.00 0.00 0.00 34.13 32.86 2k0f s GLU 110 CO 0.00 0.38 0.17 -1.59 -0.56 0.00 0.00 175.26 173.67 2k0f s LYS 111 N -0.03 2.33 -0.05 4.30 -2.85 -1.26 -2.64 119.74 119.54 2k0f s LYS 111 Ca 0.20 -1.54 -0.20 0.00 -1.00 0.00 0.00 55.97 53.43 2k0f s LYS 111 Cb -0.14 -3.55 -0.05 0.00 -2.06 0.00 0.00 37.83 32.03 2k0f s LYS 111 CO 0.08 -0.91 0.58 -0.51 0.10 0.00 0.00 175.35 174.68 2k0f s LEU 112 N 1.27 4.35 0.78 2.77 1.43 -1.26 -5.11 118.68 122.92 2k0f s LEU 112 Ca 0.03 1.05 -0.12 0.00 -1.03 0.00 0.00 54.13 54.07 2k0f s LEU 112 Cb -0.22 -2.88 0.06 0.00 0.03 0.00 0.00 46.19 43.18 2k0f s LEU 112 CO -0.01 0.03 1.14 0.42 0.23 0.00 0.00 176.35 178.15 2k0f s THR 113 N 0.26 2.66 0.03 5.49 -4.23 -1.26 -4.95 115.64 113.64 2k0f s THR 113 Ca 0.31 0.21 -0.20 0.00 -1.18 0.00 0.00 61.69 60.83 2k0f s THR 113 Cb -0.17 -3.15 -0.16 0.00 1.34 0.00 0.00 72.50 70.36 2k0f s THR 113 CO 0.15 -0.28 1.29 0.44 -0.54 0.00 0.00 174.62 175.68 2k0f h ASP 114 N -0.97 0.44 -0.57 3.99 3.32 -2.00 -1.14 116.42 119.49 2k0f h ASP 114 Ca -0.46 -0.54 0.12 0.00 0.02 0.00 0.00 57.03 56.16 2k0f h ASP 114 Cb 1.30 -0.13 -0.11 0.00 0.22 0.00 0.00 39.33 40.61 2k0f h ASP 114 CO 0.64 0.90 -0.13 1.21 -1.72 0.00 0.00 179.24 180.14 2k0f n GLU 115 N -4.46 -0.05 0.16 3.56 2.13 -1.26 -1.75 120.64 118.97 2k0f n GLU 115 Ca -0.07 0.88 -0.11 0.00 0.66 0.00 0.00 57.16 58.52 2k0f n GLU 115 Cb 0.43 -1.32 -0.06 0.00 0.27 0.00 0.00 31.44 30.76 2k0f n GLU 115 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2k0f h GLU 116 N 0.00 -0.44 -0.91 5.31 5.08 -1.58 -2.16 114.58 119.87 2k0f h GLU 116 Ca 0.28 0.03 0.26 0.00 -1.00 0.00 0.00 59.36 58.92 2k0f h GLU 116 Cb 0.43 0.10 -0.15 0.00 0.50 0.00 0.00 28.75 29.64 2k0f h GLU 116 CO -0.58 -0.14 0.27 0.28 -1.00 0.00 0.00 179.01 177.84 2k0f h VAL 117 N -0.97 0.27 0.71 3.13 2.07 -1.51 -1.25 116.25 118.70 2k0f h VAL 117 Ca -0.05 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2k0f h VAL 117 Cb 0.51 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2k0f h VAL 117 CO 0.08 0.04 -0.34 0.44 0.02 0.00 0.00 177.57 177.80 2k0f h ASP 118 N 0.19 -0.81 -0.82 0.57 3.32 -1.31 -3.17 116.42 114.39 2k0f h ASP 118 Ca 0.59 0.01 0.20 0.00 0.02 0.00 0.00 57.03 57.85 2k0f h ASP 118 Cb 1.24 0.21 -0.14 0.00 0.22 0.00 0.00 39.33 40.86 2k0f h ASP 118 CO -0.68 -0.53 0.10 -0.08 -1.72 0.00 0.00 179.24 176.33 2k0f h GLU 119 N -1.03 0.14 -0.33 3.56 4.81 -0.59 -2.82 114.58 118.33 2k0f h GLU 119 Ca -0.10 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 2k0f h GLU 119 Cb 0.75 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2k0f h GLU 119 CO 0.16 0.10 -0.03 0.52 -0.73 0.00 0.00 179.01 179.03 2k0f h MET 120 N 0.15 0.59 0.44 1.92 2.86 -1.39 -0.58 114.93 118.92 2k0f h MET 120 Ca 0.48 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.89 2k0f h MET 120 Cb 0.90 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.51 2k0f h MET 120 CO -0.67 0.74 -0.21 0.82 1.06 0.00 0.00 176.91 178.65 2k0f h ILE 121 N 0.39 0.54 -0.72 -1.22 1.08 -1.49 -1.05 117.51 115.04 2k0f h ILE 121 Ca 0.09 -0.29 -0.03 0.00 -0.39 0.00 0.00 64.86 64.24 2k0f h ILE 121 Cb 0.49 0.68 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 2k0f h ILE 121 CO 0.02 0.05 0.34 0.08 -0.69 0.00 0.00 178.15 177.95 2k0f h ARG 122 N -0.77 1.02 -0.41 2.37 0.11 -1.57 0.12 114.38 115.25 2k0f h ARG 122 Ca -0.06 -0.14 0.07 0.00 0.10 0.00 0.00 59.98 59.95 2k0f h ARG 122 Cb 0.54 -0.19 -0.06 0.00 1.11 0.00 0.00 29.97 31.37 2k0f h ARG 122 CO 0.10 0.79 0.03 1.49 0.10 0.00 0.00 179.97 182.48 2k0f h GLU 123 N 1.02 0.13 0.00 0.08 4.81 -1.00 -3.11 114.58 116.50 2k0f h GLU 123 Ca 0.25 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.34 2k0f h GLU 123 Cb 0.11 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2k0f h GLU 123 CO -0.03 0.09 -0.61 0.00 -0.73 0.00 0.00 179.01 177.73 2k0f h ALA 124 N 1.34 0.72 -1.60 2.92 0.00 -0.77 -3.43 119.26 118.45 2k0f h ALA 124 Ca 0.20 -0.56 -0.54 0.00 0.00 0.00 0.00 54.91 54.01 2k0f h ALA 124 Cb 0.27 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2k0f h ALA 124 CO -0.31 0.76 1.13 0.34 0.00 0.00 0.00 179.25 181.17 2k0f s ASP 125 N -6.57 6.06 0.44 0.00 -1.08 0.37 -4.83 116.67 111.05 2k0f s ASP 125 Ca 0.01 0.34 0.22 0.00 -0.52 0.00 0.00 52.55 52.60 2k0f s ASP 125 Cb 0.10 -2.54 1.00 0.00 -1.46 0.00 0.00 42.92 40.01 2k0f s ASP 125 CO 0.75 -1.76 1.88 0.40 0.52 0.00 0.00 175.17 176.97 2k0f h ILE 126 N 6.43 0.77 0.07 4.11 2.04 -1.86 -3.27 117.51 125.81 2k0f h ILE 126 Ca -0.27 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 2k0f h ILE 126 Cb 1.10 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 2k0f h ILE 126 CO 1.17 0.25 -0.03 0.44 0.00 0.00 0.00 178.15 179.98 2k0f h ASP 127 N 0.00 -0.08 0.00 1.72 3.32 -1.96 -3.49 116.42 115.93 2k0f h ASP 127 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k0f h ASP 127 Cb 0.63 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2k0f h ASP 127 CO 0.03 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.17 2k0f n GLY 128 N 0.88 1.09 0.25 2.75 0.00 -1.23 -5.03 105.19 103.91 2k0f n GLY 128 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2k0f n GLY 128 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 129 N 0.75 0.00 -0.09 1.61 2.03 -1.95 -3.47 116.42 115.31 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 129 CO 0.00 0.14 0.00 0.61 -1.03 0.00 0.00 179.24 178.96 2k0f n GLY 130 N -0.61 1.34 2.72 7.15 0.00 -1.26 -5.08 105.19 109.46 2k0f n GLY 130 Ca -0.02 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.89 0.51 -0.10 1.61 -0.21 -1.26 -4.68 119.66 113.65 2k0f s GLN 131 Ca 0.00 -0.67 -0.29 0.00 0.02 0.00 0.00 55.36 54.41 2k0f s GLN 131 Cb 0.00 -0.78 -0.04 0.00 1.00 0.00 0.00 33.01 33.19 2k0f s GLN 131 CO 0.00 -1.14 1.58 0.08 -2.12 0.00 0.00 175.29 173.69 2k0f s VAL 132 N 1.71 3.73 0.48 1.09 1.01 -1.15 -4.74 120.40 122.53 2k0f s VAL 132 Ca 0.14 0.87 0.08 0.00 0.00 0.00 0.00 61.98 63.07 2k0f s VAL 132 Cb -0.16 -3.59 0.08 0.00 0.00 0.00 0.00 36.38 32.72 2k0f s VAL 132 CO -0.13 -0.11 0.67 -0.46 0.00 0.00 0.00 175.10 175.07 2k0f n ASN 133 N 7.22 1.73 0.08 3.32 0.23 -1.26 -1.00 115.26 125.58 2k0f n ASN 133 Ca 0.17 -2.27 -0.14 0.00 -0.53 0.00 0.00 54.58 51.81 2k0f n ASN 133 Cb 0.43 -0.36 -0.08 0.00 -2.08 0.00 0.00 39.78 37.70 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N 0.07 -1.30 -0.89 -2.53 3.20 -1.96 -2.68 116.97 110.88 2k0f h TYR 134 Ca -0.23 0.04 0.15 0.00 3.14 0.00 0.00 58.73 61.83 2k0f h TYR 134 Cb 1.03 0.57 -0.09 0.00 1.54 0.00 0.00 36.73 39.77 2k0f h TYR 134 CO 0.00 -0.53 0.48 1.49 -1.64 0.00 0.00 178.16 177.96 2k0f h GLU 135 N -0.63 0.67 0.00 1.82 4.81 -1.97 0.04 114.58 119.32 2k0f h GLU 135 Ca 0.03 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2k0f h GLU 135 Cb 0.69 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2k0f h GLU 135 CO -0.31 0.44 -0.19 0.93 -0.73 0.00 0.00 179.01 179.15 2k0f h GLU 136 N 0.69 0.00 0.04 1.92 5.08 -1.89 -1.80 114.58 118.63 2k0f h GLU 136 Ca 0.48 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.72 2k0f h GLU 136 Cb 0.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2k0f h GLU 136 CO -0.35 0.19 -0.63 0.35 -1.00 0.00 0.00 179.01 177.57 2k0f h PHE 137 N 0.00 0.17 -0.07 4.33 3.57 -1.01 -3.11 116.94 120.82 2k0f h PHE 137 Ca -0.00 -0.13 -0.09 0.00 3.53 0.00 0.00 57.97 61.28 2k0f h PHE 137 Cb 0.70 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 2k0f h PHE 137 CO 0.00 1.24 -0.37 0.28 -2.23 0.00 0.00 178.31 177.23 2k0f h VAL 138 N -0.77 1.29 -0.40 1.41 2.07 -0.72 0.10 116.25 119.22 2k0f h VAL 138 Ca -0.14 -1.37 -0.04 0.00 0.82 0.00 0.00 66.70 65.97 2k0f h VAL 138 Cb 1.30 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 2k0f h VAL 138 CO -0.00 0.40 0.10 -0.61 0.02 0.00 0.00 177.57 177.48 2k0f h GLN 139 N 0.12 0.64 0.53 1.57 5.75 -1.47 -2.57 115.11 119.68 2k0f h GLN 139 Ca 0.01 -0.15 -0.03 0.00 -0.15 0.00 0.00 58.65 58.34 2k0f h GLN 139 Cb 0.72 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 29.19 2k0f h GLN 139 CO 0.05 0.66 -0.25 1.98 -2.65 0.00 0.00 178.83 178.62 2k0f h MET 140 N 0.51 -0.68 0.09 1.69 4.05 -1.44 -3.42 114.93 115.74 2k0f h MET 140 Ca 0.13 0.05 -0.16 0.00 -0.28 0.00 0.00 59.70 59.43 2k0f h MET 140 Cb 0.30 0.16 0.02 0.00 -0.80 0.00 0.00 31.60 31.27 2k0f h MET 140 CO 0.00 -0.41 -0.68 0.52 0.23 0.00 0.00 176.91 176.57 2k0f h MET 141 N -1.13 0.30 0.00 0.39 2.86 -0.86 -3.51 114.93 112.98 2k0f h MET 141 Ca -0.07 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 2k0f h MET 141 Cb 0.59 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.41 2k0f h MET 141 CO 0.12 1.18 0.00 2.41 1.06 0.00 0.00 176.91 181.68