#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 0.92 -0.17 -0.78 3.07 -2.05 0.81 114.58 116.38 2k0f h GLU 2 Ca 0.00 -0.16 -0.13 0.00 -0.50 0.00 0.00 59.36 58.57 2k0f h GLU 2 Cb 0.00 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 2k0f h GLU 2 CO 0.00 0.77 -0.47 1.05 -1.40 0.00 0.00 179.01 178.96 2k0f h GLU 3 N 0.87 0.43 -0.09 2.33 4.11 -2.05 -2.55 114.58 117.63 2k0f h GLU 3 Ca 0.21 -0.24 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 2k0f h GLU 3 Cb 0.18 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2k0f h GLU 3 CO -0.02 0.81 -0.07 1.96 0.07 0.00 0.00 179.01 181.76 2k0f h GLN 4 N 0.35 0.21 -1.01 1.06 4.20 -1.92 -0.90 115.11 117.09 2k0f h GLN 4 Ca 0.02 -0.10 0.24 0.00 0.06 0.00 0.00 58.65 58.87 2k0f h GLN 4 Cb 0.96 -0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.63 2k0f h GLN 4 CO 0.08 0.61 0.63 0.82 -0.67 0.00 0.00 178.83 180.30 2k0f h ILE 5 N -0.18 0.58 0.00 2.54 1.08 0.60 0.19 117.51 122.32 2k0f h ILE 5 Ca 0.02 -0.18 -0.00 0.00 -0.39 0.00 0.00 64.86 64.30 2k0f h ILE 5 Cb 0.56 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.30 2k0f h ILE 5 CO 0.02 0.10 -0.00 0.00 -0.69 0.00 0.00 178.15 177.57 2k0f h ALA 6 N 1.66 -0.01 -0.95 1.87 0.00 -1.23 -1.68 119.26 118.93 2k0f h ALA 6 Ca 0.60 -0.10 0.28 0.00 0.00 0.00 0.00 54.91 55.69 2k0f h ALA 6 Cb 1.26 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.89 2k0f h ALA 6 CO -0.37 -0.41 0.18 1.49 0.00 0.00 0.00 179.25 180.14 2k0f h GLU 7 N -0.20 0.08 0.01 0.00 4.81 -0.66 -2.73 114.58 115.89 2k0f h GLU 7 Ca -0.00 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2k0f h GLU 7 Cb 0.20 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.57 2k0f h GLU 7 CO 0.00 0.05 -0.27 0.74 -0.73 0.00 0.00 179.01 178.81 2k0f h PHE 8 N 0.08 0.24 -0.99 0.92 0.04 -0.87 -3.30 116.94 113.06 2k0f h PHE 8 Ca 0.62 -0.14 0.02 0.00 2.80 0.00 0.00 57.97 61.26 2k0f h PHE 8 Cb 1.33 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 39.41 2k0f h PHE 8 CO -0.34 0.98 0.65 -0.22 -0.60 0.00 0.00 178.31 178.78 2k0f h LYS 9 N -0.57 1.27 -0.14 1.51 3.64 -1.10 -2.55 116.57 118.64 2k0f h LYS 9 Ca -0.04 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.13 2k0f h LYS 9 Cb 1.07 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2k0f h LYS 9 CO 0.05 0.84 -0.51 0.93 -2.27 0.00 0.00 179.45 178.49 2k0f h GLU 10 N 1.31 0.37 0.00 1.90 5.08 -1.65 -0.46 114.58 121.13 2k0f h GLU 10 Ca 0.37 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2k0f h GLU 10 Cb -0.11 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 2k0f h GLU 10 CO -0.09 0.80 -0.09 0.00 -1.00 0.00 0.00 179.01 178.62 2k0f h ALA 11 N 1.16 1.00 0.02 3.43 0.00 -1.55 -3.03 119.26 120.30 2k0f h ALA 11 Ca 0.01 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 2k0f h ALA 11 Cb 1.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2k0f h ALA 11 CO 0.09 0.11 -1.36 0.35 0.00 0.00 0.00 179.25 178.44 2k0f h PHE 12 N 0.00 0.08 0.00 0.00 3.57 -1.06 -3.32 116.94 116.21 2k0f h PHE 12 Ca -0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2k0f h PHE 12 Cb 0.67 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.41 2k0f h PHE 12 CO 0.00 1.53 0.36 0.77 -2.23 0.00 0.00 178.31 178.74 2k0f h SER 13 N -0.84 0.00 -0.07 0.41 0.02 -1.16 -2.13 113.55 109.78 2k0f h SER 13 Ca -0.36 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 2k0f h SER 13 Cb 1.41 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.95 2k0f h SER 13 CO -0.16 0.00 0.00 0.25 -1.14 0.00 0.00 176.83 175.78 2k0f h LEU 14 N 0.00 0.12 0.34 5.07 6.46 -1.62 -3.33 115.31 122.35 2k0f h LEU 14 Ca 0.00 -0.29 -0.02 0.00 -0.12 0.00 0.00 57.88 57.45 2k0f h LEU 14 Cb 0.72 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.62 2k0f h LEU 14 CO 0.00 0.38 -0.16 -0.26 -0.62 0.00 0.00 178.44 177.78 2k0f h PHE 15 N -0.15 -0.42 -2.11 1.25 -1.00 -1.56 -3.45 116.94 109.50 2k0f h PHE 15 Ca 0.02 -0.01 -0.57 0.00 2.81 0.00 0.00 57.97 60.22 2k0f h PHE 15 Cb 0.32 0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.02 2k0f h PHE 15 CO 0.03 -0.12 1.42 0.34 -1.61 0.00 0.00 178.31 178.37 2k0f s ASP 16 N -4.98 5.72 0.19 2.17 -1.08 -0.94 -4.81 116.67 112.94 2k0f s ASP 16 Ca -0.15 2.08 0.11 0.00 -0.52 0.00 0.00 52.55 54.08 2k0f s ASP 16 Cb 0.03 -2.52 -0.08 0.00 -1.46 0.00 0.00 42.92 38.89 2k0f s ASP 16 CO 0.57 -1.72 1.34 0.11 0.52 0.00 0.00 175.17 175.98 2k0f h LYS 17 N 13.87 0.00 0.00 4.34 1.79 -1.87 -3.34 116.57 131.35 2k0f h LYS 17 Ca -0.43 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 57.77 2k0f h LYS 17 Cb 1.24 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.85 2k0f h LYS 17 CO 0.96 0.74 -1.75 -0.25 -1.08 0.00 0.00 179.45 178.06 2k0f n ASP 18 N -3.28 1.92 0.00 0.86 8.00 -1.26 -5.01 116.55 117.79 2k0f n ASP 18 Ca 0.01 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.89 2k0f n ASP 18 Cb 0.84 -0.83 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 1.37 1.71 0.10 0.44 0.00 -1.26 -5.02 105.19 102.54 2k0f n GLY 19 Ca -0.36 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 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 0.23 0.00 1.61 2.03 -1.95 -3.48 116.42 114.87 2k0f h ASP 20 Ca 0.00 -0.84 0.00 0.00 -0.73 0.00 0.00 57.03 55.46 2k0f h ASP 20 Cb 0.00 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.43 2k0f h ASP 20 CO 0.00 1.40 0.00 0.61 -1.03 0.00 0.00 179.24 180.22 2k0f n GLY 21 N 1.63 -0.81 3.00 7.15 0.00 -1.26 -5.11 105.19 109.80 2k0f n GLY 21 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.18 0.07 -0.21 2.61 -4.23 -1.26 -2.26 115.64 110.19 2k0f s THR 22 Ca 0.00 -0.58 -0.09 0.00 -1.18 0.00 0.00 61.69 59.84 2k0f s THR 22 Cb 0.00 -0.25 -0.05 0.00 1.34 0.00 0.00 72.50 73.54 2k0f s THR 22 CO 0.00 -0.32 0.12 -0.63 -0.54 0.00 0.00 174.62 173.25 2k0f s ILE 23 N -0.99 5.19 0.64 2.99 1.01 -1.17 -4.71 121.20 124.16 2k0f s ILE 23 Ca -0.11 0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.70 2k0f s ILE 23 Cb -0.07 -3.37 0.11 0.00 0.01 0.00 0.00 42.46 39.14 2k0f s ILE 23 CO -0.00 0.42 0.89 0.42 0.00 0.00 0.00 174.94 176.67 2k0f s THR 24 N 0.56 2.14 0.21 2.92 -4.23 -1.26 -2.58 115.64 113.40 2k0f s THR 24 Ca 0.06 -0.81 -0.09 0.00 -1.18 0.00 0.00 61.69 59.67 2k0f s THR 24 Cb -0.12 -2.33 0.17 0.00 1.34 0.00 0.00 72.50 71.55 2k0f s THR 24 CO 0.00 0.00 1.84 0.71 -0.54 0.00 0.00 174.62 176.64 2k0f h THR 25 N -0.16 1.23 -0.14 3.99 1.35 -1.92 -2.33 112.91 114.93 2k0f h THR 25 Ca -0.33 -0.55 0.02 0.00 -0.55 0.00 0.00 66.41 65.01 2k0f h THR 25 Cb 1.28 0.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.82 2k0f h THR 25 CO 0.40 0.25 0.00 0.11 -0.25 0.00 0.00 175.52 176.03 2k0f h LYS 26 N 1.10 0.05 0.00 4.72 1.57 -1.97 0.24 116.57 122.29 2k0f h LYS 26 Ca 0.28 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 2k0f h LYS 26 Cb -0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 2k0f h LYS 26 CO -0.05 0.03 -0.14 0.93 -0.57 0.00 0.00 179.45 179.65 2k0f h GLU 27 N 0.05 0.00 0.00 3.15 5.08 -1.82 -1.45 114.58 119.59 2k0f h GLU 27 Ca 0.07 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 2k0f h GLU 27 Cb 0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2k0f h GLU 27 CO -0.11 0.14 -0.79 1.25 -1.00 0.00 0.00 179.01 178.51 2k0f h LEU 28 N 0.00 0.00 -0.72 1.33 5.85 -1.37 -3.39 115.31 117.01 2k0f h LEU 28 Ca -0.00 -0.39 0.12 0.00 0.84 0.00 0.00 57.88 58.45 2k0f h LEU 28 Cb 0.51 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.41 2k0f h LEU 28 CO 0.02 1.14 -0.26 0.61 -0.34 0.00 0.00 178.44 179.62 2k0f n GLY 29 N 1.54 -1.41 0.36 3.75 0.00 0.85 0.05 105.19 110.31 2k0f n GLY 29 Ca -0.20 0.80 0.16 0.00 0.00 0.00 0.00 46.02 46.78 2k0f n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k0f h THR 30 N 0.00 0.62 -0.42 2.61 1.03 -1.49 -2.18 112.91 113.08 2k0f h THR 30 Ca 0.27 -0.22 -0.14 0.00 -0.01 0.00 0.00 66.41 66.31 2k0f h THR 30 Cb 0.45 -0.09 -0.01 0.00 -1.07 0.00 0.00 68.15 67.44 2k0f h THR 30 CO -0.72 0.12 -0.28 0.58 -0.01 0.00 0.00 175.52 175.21 2k0f h VAL 31 N 0.65 1.27 0.12 0.00 2.07 -0.57 -1.58 116.25 118.21 2k0f h VAL 31 Ca 0.60 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 2k0f h VAL 31 Cb 1.09 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2k0f h VAL 31 CO -0.40 0.49 -0.06 0.24 0.02 0.00 0.00 177.57 177.86 2k0f h MET 32 N 0.77 -0.16 0.00 1.57 2.86 -1.16 -2.81 114.93 116.00 2k0f h MET 32 Ca 0.08 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 2k0f h MET 32 Cb 0.87 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.56 2k0f h MET 32 CO 0.08 -0.08 -0.11 0.00 1.06 0.00 0.00 176.91 177.85 2k0f h ARG 33 N -0.19 0.00 0.21 1.72 3.08 -1.12 -1.72 114.38 116.36 2k0f h ARG 33 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2k0f h ARG 33 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2k0f h ARG 33 CO 0.03 0.11 -0.10 1.03 -1.07 0.00 0.00 179.97 179.97 2k0f h SER 34 N 0.00 -0.24 -0.34 7.04 0.87 -1.12 -3.32 113.55 116.43 2k0f h SER 34 Ca -0.00 -0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 60.25 2k0f h SER 34 Cb 0.21 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 2k0f h SER 34 CO 0.01 0.20 0.12 -0.07 -0.53 0.00 0.00 176.83 176.56 2k0f h LEU 35 N -0.73 0.54 0.00 2.23 3.38 -1.24 -3.48 115.31 116.01 2k0f h LEU 35 Ca -0.03 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2k0f h LEU 35 Cb 0.50 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2k0f h LEU 35 CO 0.05 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.71 2k0f n GLY 36 N -1.08 -2.47 3.99 0.83 0.00 -0.67 -5.12 105.19 100.66 2k0f n GLY 36 Ca 0.03 0.84 -0.19 0.00 0.00 0.00 0.00 46.02 46.69 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 0.00 2.95 -0.30 1.61 0.74 -1.16 -4.80 119.66 118.70 2k0f s GLN 37 Ca 0.00 -0.94 -0.02 0.00 0.05 0.00 0.00 55.36 54.45 2k0f s GLN 37 Cb 0.00 -2.71 0.12 0.00 1.10 0.00 0.00 33.01 31.52 2k0f s GLN 37 CO 0.00 -0.19 0.21 1.21 -0.55 0.00 0.00 175.29 175.97 2k0f s ASN 38 N -4.26 2.66 0.53 6.67 3.84 -1.26 -2.56 114.94 120.55 2k0f s ASN 38 Ca 0.50 -1.23 -0.05 0.00 0.21 0.00 0.00 52.86 52.28 2k0f s ASN 38 Cb -0.10 0.01 -0.02 0.00 -0.55 0.00 0.00 41.25 40.59 2k0f s ASN 38 CO 0.34 -0.39 0.84 -2.16 -2.79 0.00 0.00 177.10 172.93 2k0f s PRO 39 N 2.03 3.29 0.53 0.43 0.04 -1.26 -5.10 135.00 134.95 2k0f s PRO 39 Ca 0.11 0.12 -0.01 0.00 0.04 0.00 0.00 61.00 61.26 2k0f s PRO 39 Cb -0.16 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 32.07 2k0f s PRO 39 CO -0.29 -0.41 0.77 0.95 0.04 0.00 0.00 177.00 178.06 2k0f s THR 40 N -2.85 3.40 0.11 1.26 -4.23 -1.26 -4.97 115.64 107.10 2k0f s THR 40 Ca 0.50 -0.44 0.03 0.00 -1.18 0.00 0.00 61.69 60.61 2k0f s THR 40 Cb -0.10 -3.29 -0.23 0.00 1.34 0.00 0.00 72.50 70.22 2k0f s THR 40 CO 0.45 -0.23 1.25 -0.33 -0.54 0.00 0.00 174.62 175.22 2k0f h GLU 41 N 0.12 0.10 -0.68 3.99 4.39 -1.99 -1.81 114.58 118.70 2k0f h GLU 41 Ca -0.45 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.03 2k0f h GLU 41 Cb 1.27 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.95 2k0f h GLU 41 CO 0.57 1.06 0.19 0.00 -1.16 0.00 0.00 179.01 179.67 2k0f h ALA 42 N 0.87 0.89 -0.23 3.43 0.00 -1.99 -1.61 119.26 120.62 2k0f h ALA 42 Ca -0.05 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 2k0f h ALA 42 Cb 1.81 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2k0f h ALA 42 CO 0.15 0.59 -0.60 1.05 0.00 0.00 0.00 179.25 180.44 2k0f h GLU 43 N 1.01 0.79 -0.09 0.00 4.11 -1.97 -3.08 114.58 115.34 2k0f h GLU 43 Ca 0.22 -0.53 -0.06 0.00 0.07 0.00 0.00 59.36 59.06 2k0f h GLU 43 Cb 0.33 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2k0f h GLU 43 CO -0.00 1.16 -0.20 1.25 0.07 0.00 0.00 179.01 181.29 2k0f h LEU 44 N 0.59 0.15 -0.74 3.06 5.85 -1.17 -1.61 115.31 121.43 2k0f h LEU 44 Ca -0.00 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.55 2k0f h LEU 44 Cb 1.21 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2k0f h LEU 44 CO 0.13 0.36 -0.45 -0.61 -0.34 0.00 0.00 178.44 177.53 2k0f h GLN 45 N 0.14 0.41 0.04 1.25 5.75 -1.37 -3.04 115.11 118.30 2k0f h GLN 45 Ca 0.03 -0.22 -0.00 0.00 -0.15 0.00 0.00 58.65 58.31 2k0f h GLN 45 Cb 0.44 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.00 2k0f h GLN 45 CO 0.03 0.78 -0.02 0.22 -2.65 0.00 0.00 178.83 177.19 2k0f h ASP 46 N 0.33 -0.05 -0.59 -0.69 3.58 -1.24 -3.01 116.42 114.77 2k0f h ASP 46 Ca 0.02 -0.59 0.10 0.00 0.42 0.00 0.00 57.03 56.98 2k0f h ASP 46 Cb 0.92 0.01 -0.11 0.00 1.72 0.00 0.00 39.33 41.87 2k0f h ASP 46 CO 0.08 0.60 -0.35 -0.03 -2.88 0.00 0.00 179.24 176.66 2k0f h MET 47 N -0.74 -0.17 0.00 0.28 4.05 -1.33 -0.59 114.93 116.44 2k0f h MET 47 Ca -0.01 0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.33 2k0f h MET 47 Cb 0.64 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 2k0f h MET 47 CO 0.01 -0.11 -0.45 0.97 0.23 0.00 0.00 176.91 177.56 2k0f h ILE 48 N -0.17 0.91 -0.02 1.77 2.10 -1.62 -3.09 117.51 117.38 2k0f h ILE 48 Ca 0.22 -1.84 -0.19 0.00 1.08 0.00 0.00 64.86 64.13 2k0f h ILE 48 Cb 0.55 2.14 -0.01 0.00 -1.09 0.00 0.00 36.82 38.41 2k0f h ILE 48 CO -0.68 0.44 -0.81 0.78 -1.08 0.00 0.00 178.15 176.80 2k0f h ASN 49 N 0.00 0.31 0.71 2.19 2.35 -1.26 -3.26 115.58 116.63 2k0f h ASN 49 Ca -0.00 -0.23 -0.15 0.00 -0.55 0.00 0.00 56.30 55.37 2k0f h ASN 49 Cb 1.10 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.36 2k0f h ASN 49 CO 0.06 0.99 -0.70 -0.08 -1.65 0.00 0.00 177.43 176.05 2k0f h GLU 50 N 0.15 0.00 -0.49 0.81 4.81 -1.04 -0.88 114.58 117.94 2k0f h GLU 50 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2k0f h GLU 50 Cb 1.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.78 2k0f h GLU 50 CO 0.13 0.70 0.00 1.33 -0.73 0.00 0.00 179.01 180.44 2k0f n VAL 51 N -3.69 0.66 -3.59 0.32 0.24 -1.22 -4.80 118.33 106.25 2k0f n VAL 51 Ca -0.01 -0.66 -0.37 0.00 -2.04 0.00 0.00 64.34 61.26 2k0f n VAL 51 Cb 0.69 0.32 -0.09 0.00 -1.47 0.00 0.00 33.84 33.29 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 -1.00 6.18 0.00 -1.34 2.15 -0.34 -4.97 116.67 117.36 2k0f s ASP 52 Ca 0.33 0.20 -0.16 0.00 0.43 0.00 0.00 52.55 53.34 2k0f s ASP 52 Cb 0.17 -2.14 -0.34 0.00 -0.30 0.00 0.00 42.92 40.31 2k0f s ASP 52 CO 0.22 0.02 0.93 0.00 -0.17 0.00 0.00 175.17 176.17 2k0f h ALA 53 N 7.57 -0.11 -0.03 3.66 0.00 -1.87 -3.37 119.26 125.12 2k0f h ALA 53 Ca -0.37 -0.87 -0.01 0.00 0.00 0.00 0.00 54.91 53.65 2k0f h ALA 53 Cb 1.17 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2k0f h ALA 53 CO 0.66 0.68 -0.03 0.38 0.00 0.00 0.00 179.25 180.94 2k0f h ASP 54 N 0.04 0.08 0.00 0.00 2.03 -1.93 -3.49 116.42 113.15 2k0f h ASP 54 Ca -0.25 -0.49 0.00 0.00 -0.73 0.00 0.00 57.03 55.56 2k0f h ASP 54 Cb 2.06 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 40.54 2k0f h ASP 54 CO 0.24 0.55 0.00 0.61 -1.03 0.00 0.00 179.24 179.61 2k0f n GLY 55 N 0.23 1.07 0.23 7.15 0.00 -1.26 -4.95 105.19 107.65 2k0f n GLY 55 Ca -0.08 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.07 1.61 7.08 -1.94 -3.48 115.58 118.78 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 0.20 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.44 2k0f h ASN 56 CO 0.00 0.02 0.00 0.61 -2.08 0.00 0.00 177.43 175.98 2k0f n GLY 57 N 0.95 0.93 3.30 9.14 0.00 -1.26 -5.06 105.19 113.19 2k0f n GLY 57 Ca 0.03 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.07 1.53 -0.88 2.61 -4.23 -1.26 -4.55 115.64 106.79 2k0f s THR 58 Ca 0.00 -2.07 -0.25 0.00 -1.18 0.00 0.00 61.69 58.19 2k0f s THR 58 Cb 0.00 -1.89 0.02 0.00 1.34 0.00 0.00 72.50 71.97 2k0f s THR 58 CO 0.00 -0.58 1.51 -0.51 -0.54 0.00 0.00 174.62 174.50 2k0f s ILE 59 N -2.85 3.73 0.67 2.99 1.10 -1.06 -4.95 121.20 120.82 2k0f s ILE 59 Ca 0.18 -0.25 -0.10 0.00 -0.51 0.00 0.00 60.65 59.97 2k0f s ILE 59 Cb -0.01 -4.75 0.01 0.00 0.15 0.00 0.00 42.46 37.86 2k0f s ILE 59 CO 0.05 -1.66 1.04 -1.81 -2.11 0.00 0.00 174.94 170.45 2k0f s ASP 60 N 5.37 5.55 0.15 4.50 1.11 -1.26 -3.03 116.67 129.06 2k0f s ASP 60 Ca 0.48 1.06 -0.14 0.00 0.18 0.00 0.00 52.55 54.14 2k0f s ASP 60 Cb -0.05 -1.93 0.03 0.00 1.07 0.00 0.00 42.92 42.05 2k0f s ASP 60 CO 0.02 -1.23 1.68 0.15 1.18 0.00 0.00 175.17 176.97 2k0f h PHE 61 N -0.51 0.79 0.00 4.23 3.57 -1.86 -1.84 116.94 121.32 2k0f h PHE 61 Ca -0.45 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 60.98 2k0f h PHE 61 Cb 1.25 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.76 2k0f h PHE 61 CO 0.51 0.68 0.00 -2.30 -2.23 0.00 0.00 178.31 174.97 2k0f n PRO 62 N -4.52 0.60 -0.08 6.41 -0.02 -1.26 -2.89 135.00 133.24 2k0f n PRO 62 Ca 0.01 0.01 -0.17 0.00 -2.02 0.00 0.00 63.50 61.33 2k0f n PRO 62 Cb 0.18 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.03 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k0f n GLU 63 N -1.02 0.68 -0.26 -0.52 1.02 -0.74 -3.77 120.64 116.03 2k0f n GLU 63 Ca 0.15 0.17 0.05 0.00 -0.02 0.00 0.00 57.16 57.51 2k0f n GLU 63 Cb 0.08 -1.59 0.19 0.00 -0.02 0.00 0.00 31.44 30.10 2k0f n GLU 63 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2k0f h PHE 64 N 0.02 0.57 -0.41 -0.32 3.57 -1.49 -1.81 116.94 117.08 2k0f h PHE 64 Ca -0.51 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.07 2k0f h PHE 64 Cb 1.99 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 40.55 2k0f h PHE 64 CO 0.04 0.10 0.13 -0.07 -2.23 0.00 0.00 178.31 176.28 2k0f h LEU 65 N 0.49 0.12 0.00 0.59 3.38 -1.65 -0.03 115.31 118.21 2k0f h LEU 65 Ca 0.42 0.05 -0.14 0.00 0.09 0.00 0.00 57.88 58.30 2k0f h LEU 65 Cb 0.61 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2k0f h LEU 65 CO -0.38 0.10 -0.86 0.74 0.09 0.00 0.00 178.44 178.13 2k0f h THR 66 N 0.29 0.90 0.02 0.22 2.02 -1.64 -3.09 112.91 111.63 2k0f h THR 66 Ca 0.19 -2.37 -0.00 0.00 0.77 0.00 0.00 66.41 65.00 2k0f h THR 66 Cb 0.19 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 2k0f h THR 66 CO -0.21 0.52 -0.01 -0.03 0.37 0.00 0.00 175.52 176.16 2k0f h MET 67 N 0.00 -0.03 0.00 6.66 -1.53 -1.18 -3.25 114.93 115.60 2k0f h MET 67 Ca -0.06 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.21 2k0f h MET 67 Cb 1.52 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 32.58 2k0f h MET 67 CO 0.07 0.66 0.00 -1.33 0.14 0.00 0.00 176.91 176.45 2k0f n MET 68 N -4.71 0.01 0.00 0.39 2.81 -0.04 -1.82 117.12 113.77 2k0f n MET 68 Ca -0.08 0.13 0.14 0.00 -1.81 0.00 0.00 57.70 56.08 2k0f n MET 68 Cb 0.34 -1.51 0.62 0.00 -0.71 0.00 0.00 33.22 31.95 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k0f n ALA 69 N -1.51 2.70 -2.29 3.04 0.00 -1.17 -4.86 120.51 116.42 2k0f n ALA 69 Ca 0.05 -0.22 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 2k0f n ALA 69 Cb 0.26 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.61 4.61 -0.04 0.00 3.52 -0.75 -4.99 118.95 118.68 2k0f s ARG 70 Ca 0.25 1.57 -0.20 0.00 -0.13 0.00 0.00 55.73 57.23 2k0f s ARG 70 Cb 0.20 -3.35 0.04 0.00 -1.56 0.00 0.00 34.95 30.27 2k0f s ARG 70 CO 0.50 0.06 0.44 -1.59 -0.81 0.00 0.00 175.30 173.90 2k0f s LYS 71 N 0.19 0.78 0.00 5.12 -2.85 -1.26 -5.05 119.74 116.67 2k0f s LYS 71 Ca 0.50 0.03 0.00 0.00 -1.00 0.00 0.00 55.97 55.50 2k0f s LYS 71 Cb -0.26 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 2k0f s LYS 71 CO 0.31 -0.22 0.00 -1.33 0.10 0.00 0.00 175.35 174.21 2k0f n MET 72 N 1.31 0.00 -2.50 1.78 2.81 -1.26 -5.14 117.12 114.12 2k0f n MET 72 Ca -0.20 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.44 2k0f n MET 72 Cb 0.56 0.00 0.04 0.00 -0.71 0.00 0.00 33.22 33.11 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 2.35 2.73 0.49 0.03 1.02 -1.26 -4.95 119.74 120.15 2k0f s LYS 73 Ca 0.00 -0.28 0.23 0.00 0.02 0.00 0.00 55.97 55.94 2k0f s LYS 73 Cb 0.00 -2.34 1.27 0.00 -0.52 0.00 0.00 37.83 36.24 2k0f s LYS 73 CO 0.00 -0.74 2.03 0.38 -0.92 0.00 0.00 175.35 176.10 2k0f h ASP 74 N -0.12 0.00 -0.29 2.83 2.03 -2.00 -1.82 116.42 117.04 2k0f h ASP 74 Ca -0.45 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 55.76 2k0f h ASP 74 Cb 1.28 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.77 2k0f h ASP 74 CO 0.59 0.16 -0.19 0.71 -1.03 0.00 0.00 179.24 179.47 2k0f h THR 75 N 0.00 1.30 -0.53 1.15 1.35 -2.00 -3.25 112.91 110.92 2k0f h THR 75 Ca -0.00 -1.32 -0.11 0.00 -0.55 0.00 0.00 66.41 64.43 2k0f h THR 75 Cb 0.36 1.52 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 2k0f h THR 75 CO 0.02 0.42 -0.09 0.44 -0.25 0.00 0.00 175.52 176.07 2k0f h ASP 76 N 0.39 1.00 -0.66 5.36 3.32 -1.89 -2.09 116.42 121.85 2k0f h ASP 76 Ca 0.06 -0.34 0.11 0.00 0.02 0.00 0.00 57.03 56.87 2k0f h ASP 76 Cb 0.73 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 39.93 2k0f h ASP 76 CO 0.05 1.11 0.26 0.28 -1.72 0.00 0.00 179.24 179.22 2k0f h SER 77 N 0.88 0.27 -0.23 6.45 0.02 -1.43 -2.16 113.55 117.34 2k0f h SER 77 Ca 0.14 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.10 2k0f h SER 77 Cb 0.65 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 2k0f h SER 77 CO 0.04 0.14 -0.14 -0.08 -1.14 0.00 0.00 176.83 175.66 2k0f h GLU 78 N 0.44 0.51 -0.85 3.45 4.81 -1.56 -3.05 114.58 118.33 2k0f h GLU 78 Ca 0.34 -0.23 0.19 0.00 -0.13 0.00 0.00 59.36 59.53 2k0f h GLU 78 Cb 0.44 -0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.69 2k0f h GLU 78 CO -0.33 0.79 0.35 1.49 -0.73 0.00 0.00 179.01 180.59 2k0f h GLU 79 N 0.22 0.40 0.00 1.92 4.81 -1.27 -1.04 114.58 119.62 2k0f h GLU 79 Ca 0.05 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 79 Cb 0.65 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2k0f h GLU 79 CO 0.04 0.27 -0.22 1.49 -0.73 0.00 0.00 179.01 179.85 2k0f h GLU 80 N 0.41 0.00 0.02 1.92 4.81 -1.28 0.13 114.58 120.61 2k0f h GLU 80 Ca 0.51 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.55 2k0f h GLU 80 Cb 0.91 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 2k0f h GLU 80 CO -0.49 0.22 -1.03 0.82 -0.73 0.00 0.00 179.01 177.80 2k0f h ILE 81 N 0.00 1.12 0.00 2.32 1.08 -1.49 -3.00 117.51 117.54 2k0f h ILE 81 Ca -0.00 -2.26 -0.06 0.00 -0.39 0.00 0.00 64.86 62.15 2k0f h ILE 81 Cb 0.55 2.57 -0.01 0.00 -3.07 0.00 0.00 36.82 36.86 2k0f h ILE 81 CO 0.03 0.46 -0.26 -0.09 -0.69 0.00 0.00 178.15 177.60 2k0f h ARG 82 N -0.85 0.00 -0.21 2.37 2.43 -0.71 -1.33 114.38 116.08 2k0f h ARG 82 Ca -0.27 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.72 2k0f h ARG 82 Cb 1.34 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.89 2k0f h ARG 82 CO -0.11 0.26 -0.60 0.93 -1.51 0.00 0.00 179.97 178.94 2k0f h GLU 83 N 0.00 0.71 -0.98 0.20 4.39 -0.89 -3.02 114.58 114.99 2k0f h GLU 83 Ca -0.00 -0.48 0.11 0.00 0.34 0.00 0.00 59.36 59.33 2k0f h GLU 83 Cb 0.59 0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 29.23 2k0f h GLU 83 CO 0.03 1.10 0.62 0.00 -1.16 0.00 0.00 179.01 179.60 2k0f h ALA 84 N 0.78 1.47 -0.94 3.43 0.00 -1.23 -3.00 119.26 119.77 2k0f h ALA 84 Ca -0.00 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.05 2k0f h ALA 84 Cb 1.19 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 2k0f h ALA 84 CO 0.12 0.23 0.57 0.35 0.00 0.00 0.00 179.25 180.53 2k0f h PHE 85 N 0.99 1.03 0.00 0.00 3.04 -1.13 -1.10 116.94 119.77 2k0f h PHE 85 Ca 0.48 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.46 2k0f h PHE 85 Cb 0.45 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.64 2k0f h PHE 85 CO -0.01 0.39 0.00 2.89 -2.02 0.00 0.00 178.31 179.56 2k0f n ARG 86 N -4.68 0.64 0.12 1.11 1.85 -1.13 -1.38 116.66 113.18 2k0f n ARG 86 Ca 0.18 0.02 -0.19 0.00 -1.00 0.00 0.00 57.85 56.85 2k0f n ARG 86 Cb 0.36 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.12 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2k0f h VAL 87 N 0.00 1.42 0.00 8.89 2.07 -1.33 -3.39 116.25 123.91 2k0f h VAL 87 Ca 0.00 -2.91 -0.07 0.00 0.82 0.00 0.00 66.70 64.54 2k0f h VAL 87 Cb 0.10 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 2k0f h VAL 87 CO 0.00 0.86 -0.37 -0.26 0.02 0.00 0.00 177.57 177.81 2k0f h PHE 88 N 0.11 0.00 -2.69 1.57 0.04 -1.30 -3.45 116.94 111.22 2k0f h PHE 88 Ca -0.18 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.04 2k0f h PHE 88 Cb 2.03 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.17 2k0f h PHE 88 CO 0.09 1.10 1.04 0.34 -0.60 0.00 0.00 178.31 180.27 2k0f s ASP 89 N -6.38 6.74 -0.15 2.17 2.15 -0.48 -4.89 116.67 115.84 2k0f s ASP 89 Ca -0.21 2.09 -0.10 0.00 0.43 0.00 0.00 52.55 54.75 2k0f s ASP 89 Cb -0.00 -2.53 -0.24 0.00 -0.30 0.00 0.00 42.92 39.85 2k0f s ASP 89 CO 0.63 -0.88 0.28 1.17 -0.17 0.00 0.00 175.17 176.20 2k0f n LYS 90 N 6.97 0.70 -0.00 4.34 4.81 -1.26 -4.48 118.16 129.24 2k0f n LYS 90 Ca 0.16 0.34 -0.22 0.00 -0.87 0.00 0.00 58.31 57.72 2k0f n LYS 90 Cb 0.43 -1.70 -0.14 0.00 0.02 0.00 0.00 35.03 33.64 2k0f n LYS 90 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 2k0f h ASP 91 N -0.24 0.37 0.00 3.14 3.04 -1.93 -3.49 116.42 117.31 2k0f h ASP 91 Ca -0.42 -0.87 0.00 0.00 -3.24 0.00 0.00 57.03 52.50 2k0f h ASP 91 Cb 1.83 -0.12 0.00 0.00 -1.04 0.00 0.00 39.33 40.00 2k0f h ASP 91 CO -0.01 1.76 0.00 0.61 -2.04 0.00 0.00 179.24 179.56 2k0f n GLY 92 N 1.85 1.39 0.15 7.15 0.00 -1.26 -5.02 105.19 109.45 2k0f n GLY 92 Ca -0.30 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.84 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 -1.07 -1.94 -3.47 115.58 110.71 2k0f h ASN 93 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.34 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.01 0.00 0.61 0.07 0.00 0.00 177.43 178.12 2k0f n GLY 94 N 1.19 1.11 2.82 9.14 0.00 -1.26 -5.10 105.19 113.10 2k0f n GLY 94 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 0.07 -0.40 1.61 1.51 -1.26 -3.81 117.35 113.07 2k0f s TYR 95 Ca 0.00 0.05 -0.20 0.00 -1.01 0.00 0.00 57.07 55.92 2k0f s TYR 95 Cb 0.00 -0.17 0.01 0.00 -0.11 0.00 0.00 41.96 41.69 2k0f s TYR 95 CO 0.00 -0.06 0.59 0.42 -1.11 0.00 0.00 175.55 175.40 2k0f s ILE 96 N 0.59 4.91 0.63 2.71 1.01 0.23 -4.84 121.20 126.44 2k0f s ILE 96 Ca -0.05 0.20 -0.06 0.00 0.00 0.00 0.00 60.65 60.74 2k0f s ILE 96 Cb -0.07 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.31 2k0f s ILE 96 CO -0.02 -0.44 0.94 -0.94 0.00 0.00 0.00 174.94 174.48 2k0f s SER 97 N 1.89 5.30 0.41 3.58 1.04 -1.26 -2.50 113.70 122.16 2k0f s SER 97 Ca 0.21 0.59 0.14 0.00 0.48 0.00 0.00 55.95 57.37 2k0f s SER 97 Cb -0.15 -1.46 0.88 0.00 0.10 0.00 0.00 66.02 65.39 2k0f s SER 97 CO 0.16 -1.26 1.91 0.00 0.98 0.00 0.00 173.24 175.03 2k0f h ALA 98 N -0.32 1.50 -0.11 5.32 0.00 -1.97 -1.52 119.26 122.16 2k0f h ALA 98 Ca -0.45 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.17 2k0f h ALA 98 Cb 1.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2k0f h ALA 98 CO 0.60 0.35 -0.08 0.00 0.00 0.00 0.00 179.25 180.13 2k0f h ALA 99 N 1.72 0.16 -0.87 0.00 0.00 -2.00 -2.89 119.26 115.38 2k0f h ALA 99 Ca -0.00 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.69 2k0f h ALA 99 Cb 0.51 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2k0f h ALA 99 CO 0.04 -0.03 0.57 0.93 0.00 0.00 0.00 179.25 180.75 2k0f h GLU 100 N -0.13 0.95 -0.42 0.00 5.08 -1.87 -2.11 114.58 116.08 2k0f h GLU 100 Ca 0.02 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 100 Cb 0.56 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2k0f h GLU 100 CO 0.02 0.63 0.24 1.25 -1.00 0.00 0.00 179.01 180.16 2k0f h LEU 101 N 0.98 0.39 -0.31 1.33 5.85 -1.29 0.17 115.31 122.43 2k0f h LEU 101 Ca 0.37 0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.17 2k0f h LEU 101 Cb 0.19 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.06 2k0f h LEU 101 CO -0.13 0.28 -0.30 0.03 -0.34 0.00 0.00 178.44 177.97 2k0f h ARG 102 N 0.49 -0.27 0.50 1.25 3.08 -1.27 -2.98 114.38 115.19 2k0f h ARG 102 Ca 0.17 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 2k0f h ARG 102 Cb 0.02 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 2k0f h ARG 102 CO -0.08 -0.18 -0.33 1.25 -1.07 0.00 0.00 179.97 179.56 2k0f h HIS 103 N -0.28 -0.88 0.00 3.04 2.76 -1.18 -3.13 115.15 115.48 2k0f h HIS 103 Ca 0.15 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.23 2k0f h HIS 103 Cb 0.52 0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.79 2k0f h HIS 103 CO -0.48 -0.48 -0.41 -0.39 -1.30 0.00 0.00 177.93 174.87 2k0f h VAL 104 N -0.78 1.18 -0.02 5.26 -1.51 -0.76 -1.46 116.25 118.16 2k0f h VAL 104 Ca -0.07 -1.47 -0.14 0.00 -1.23 0.00 0.00 66.70 63.79 2k0f h VAL 104 Cb 0.63 1.82 -0.02 0.00 -2.13 0.00 0.00 31.29 31.60 2k0f h VAL 104 CO 0.06 0.41 -0.64 0.24 -1.23 0.00 0.00 177.57 176.40 2k0f h MET 105 N 0.00 0.07 -0.27 5.19 2.86 -1.67 0.24 114.93 121.34 2k0f h MET 105 Ca -0.00 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.47 2k0f h MET 105 Cb 0.79 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 2k0f h MET 105 CO 0.05 0.69 -0.30 1.15 1.06 0.00 0.00 176.91 179.57 2k0f h THR 106 N 0.05 1.28 -0.01 2.22 2.02 -1.44 0.48 112.91 117.51 2k0f h THR 106 Ca -0.01 -1.38 -0.00 0.00 0.77 0.00 0.00 66.41 65.79 2k0f h THR 106 Cb 1.14 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.94 2k0f h THR 106 CO 0.09 0.44 -0.01 0.78 0.37 0.00 0.00 175.52 177.19 2k0f h ASN 107 N 0.48 0.03 -0.97 4.18 2.35 -0.96 -3.16 115.58 117.53 2k0f h ASN 107 Ca 0.06 -0.50 0.25 0.00 -0.55 0.00 0.00 56.30 55.56 2k0f h ASN 107 Cb 0.76 -0.01 -0.13 0.00 0.05 0.00 0.00 38.32 38.99 2k0f h ASN 107 CO 0.06 0.52 0.52 0.25 -1.65 0.00 0.00 177.43 177.13 2k0f h LEU 108 N -0.47 0.54 0.00 1.61 5.85 -0.55 -3.44 115.31 118.86 2k0f h LEU 108 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2k0f h LEU 108 Cb 0.51 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2k0f h LEU 108 CO 0.00 0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.75 2k0f n GLY 109 N -1.32 0.84 3.77 3.75 0.00 0.86 -5.00 105.19 108.10 2k0f n GLY 109 Ca 0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 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 0.33 3.25 -1.07 1.61 0.41 0.13 -4.98 118.70 118.37 2k0f s GLU 110 Ca 0.00 -0.27 -0.03 0.00 -0.41 0.00 0.00 54.97 54.26 2k0f s GLU 110 Cb 0.00 -3.00 0.31 0.00 -1.78 0.00 0.00 34.13 29.66 2k0f s GLU 110 CO 0.00 0.72 1.65 0.36 -0.49 0.00 0.00 175.26 177.50 2k0f n LYS 111 N 2.14 4.85 -2.26 1.61 2.85 -1.26 -3.56 118.16 122.53 2k0f n LYS 111 Ca -0.19 -4.55 -0.33 0.00 -1.05 0.00 0.00 58.31 52.18 2k0f n LYS 111 Cb 0.54 -2.51 -0.01 0.00 -0.65 0.00 0.00 35.03 32.41 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2k0f s LEU 112 N -3.32 3.65 0.50 -5.58 1.43 -1.26 -5.07 118.68 109.03 2k0f s LEU 112 Ca 0.35 1.89 0.06 0.00 -1.03 0.00 0.00 54.13 55.40 2k0f s LEU 112 Cb 0.11 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.82 2k0f s LEU 112 CO 0.01 -1.03 0.68 0.42 0.23 0.00 0.00 176.35 176.67 2k0f s THR 113 N -2.21 2.71 0.16 5.49 -4.23 -1.26 -4.93 115.64 111.37 2k0f s THR 113 Ca 0.66 -0.90 -0.27 0.00 -1.18 0.00 0.00 61.69 60.00 2k0f s THR 113 Cb -0.17 -2.82 0.01 0.00 1.34 0.00 0.00 72.50 70.87 2k0f s THR 113 CO 0.29 0.00 1.57 0.44 -0.54 0.00 0.00 174.62 176.38 2k0f h ASP 114 N 0.35 -1.53 -0.91 3.99 3.32 -1.98 -0.12 116.42 119.55 2k0f h ASP 114 Ca -0.38 0.24 0.18 0.00 0.02 0.00 0.00 57.03 57.09 2k0f h ASP 114 Cb 1.28 0.68 -0.17 0.00 0.22 0.00 0.00 39.33 41.34 2k0f h ASP 114 CO 0.45 -0.35 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.06 2k0f h GLU 115 N -0.27 -0.00 0.11 3.56 3.07 -1.98 0.38 114.58 119.45 2k0f h GLU 115 Ca 0.16 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.79 2k0f h GLU 115 Cb 0.57 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.50 2k0f h GLU 115 CO -0.65 -0.00 -0.96 0.93 -1.40 0.00 0.00 179.01 176.92 2k0f h GLU 116 N -0.00 0.45 -0.67 2.33 5.08 -1.76 -2.30 114.58 117.72 2k0f h GLU 116 Ca 0.43 -0.64 0.13 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 116 Cb 0.66 0.22 -0.13 0.00 0.50 0.00 0.00 28.75 30.00 2k0f h GLU 116 CO -0.94 1.27 -0.18 0.28 -1.00 0.00 0.00 179.01 178.45 2k0f h VAL 117 N -0.06 0.32 -0.90 3.13 2.07 -0.69 -0.07 116.25 120.05 2k0f h VAL 117 Ca -0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2k0f h VAL 117 Cb 1.70 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 2k0f h VAL 117 CO 0.18 0.00 0.57 -0.78 0.02 0.00 0.00 177.57 177.56 2k0f h ASP 118 N -0.01 1.05 -0.70 0.57 3.58 -0.26 -2.31 116.42 118.34 2k0f h ASP 118 Ca 0.32 -0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.76 2k0f h ASP 118 Cb 0.50 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.24 2k0f h ASP 118 CO -0.69 0.78 0.44 -0.08 -2.88 0.00 0.00 179.24 176.80 2k0f h GLU 119 N 1.22 0.83 -0.12 0.28 4.81 -0.47 -1.14 114.58 120.00 2k0f h GLU 119 Ca 0.33 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.38 2k0f h GLU 119 Cb -0.10 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.09 2k0f h GLU 119 CO -0.07 0.55 -0.42 0.52 -0.73 0.00 0.00 179.01 178.86 2k0f h MET 120 N 0.86 0.50 0.01 1.92 2.86 -1.00 -1.14 114.93 118.93 2k0f h MET 120 Ca 0.28 -0.38 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 2k0f h MET 120 Cb 0.01 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 2k0f h MET 120 CO -0.10 1.00 -0.16 0.82 1.06 0.00 0.00 176.91 179.53 2k0f h ILE 121 N 0.10 0.62 -0.32 -1.22 1.08 -1.44 -1.82 117.51 114.51 2k0f h ILE 121 Ca -0.02 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.36 2k0f h ILE 121 Cb 1.05 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 35.41 2k0f h ILE 121 CO 0.09 0.00 -0.18 0.03 -0.69 0.00 0.00 178.15 177.40 2k0f h ARG 122 N -0.26 0.58 -0.35 2.37 3.08 -1.29 -0.89 114.38 117.61 2k0f h ARG 122 Ca 0.05 -0.20 -0.15 0.00 0.07 0.00 0.00 59.98 59.75 2k0f h ARG 122 Cb 0.32 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2k0f h ARG 122 CO -0.14 0.74 -0.37 1.49 -1.07 0.00 0.00 179.97 180.61 2k0f h GLU 123 N 0.52 0.82 -0.19 0.04 4.81 -1.02 -3.28 114.58 116.28 2k0f h GLU 123 Ca 0.09 -0.42 -0.07 0.00 -0.13 0.00 0.00 59.36 58.82 2k0f h GLU 123 Cb 0.61 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.00 2k0f h GLU 123 CO 0.04 1.05 -0.17 0.00 -0.73 0.00 0.00 179.01 179.20 2k0f h ALA 124 N 0.90 0.28 -1.90 2.92 0.00 -1.26 -3.45 119.26 116.75 2k0f h ALA 124 Ca 0.06 -0.34 -0.57 0.00 0.00 0.00 0.00 54.91 54.06 2k0f h ALA 124 Cb 0.94 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2k0f h ALA 124 CO 0.09 0.18 1.41 0.34 0.00 0.00 0.00 179.25 181.27 2k0f s ASP 125 N -6.23 5.56 -0.01 0.00 2.15 -0.35 -4.83 116.67 112.97 2k0f s ASP 125 Ca -0.14 1.55 0.11 0.00 0.43 0.00 0.00 52.55 54.50 2k0f s ASP 125 Cb 0.06 -2.52 -0.14 0.00 -0.30 0.00 0.00 42.92 40.02 2k0f s ASP 125 CO 0.77 -1.93 0.36 0.00 -0.17 0.00 0.00 175.17 174.20 2k0f n ILE 126 N 7.62 0.00 0.00 4.11 0.13 -1.26 -4.82 119.36 125.14 2k0f n ILE 126 Ca 0.27 -0.25 0.00 0.00 -1.10 0.00 0.00 62.75 61.67 2k0f n ILE 126 Cb 0.47 0.67 0.00 0.00 -0.84 0.00 0.00 39.64 39.93 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 2k0f n ASP 127 N -1.54 0.00 0.00 9.51 5.68 -1.26 -5.06 116.55 123.89 2k0f n ASP 127 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2k0f n ASP 127 Cb 0.22 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 3.13 0.01 0.11 6.12 0.00 -1.26 -5.01 105.19 108.29 2k0f n GLY 128 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.00 0.00 1.61 3.04 -1.97 -3.47 116.42 115.63 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 129 CO 0.00 0.69 0.00 0.61 -2.04 0.00 0.00 179.24 178.50 2k0f n GLY 130 N 1.14 0.74 3.40 7.15 0.00 -1.26 -5.07 105.19 111.29 2k0f n GLY 130 Ca 0.01 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.49 3.54 -0.53 1.61 -1.52 -1.26 -4.75 119.66 116.26 2k0f s GLN 131 Ca 0.00 -0.55 -0.27 0.00 -1.95 0.00 0.00 55.36 52.58 2k0f s GLN 131 Cb 0.00 -3.07 0.03 0.00 -0.22 0.00 0.00 33.01 29.75 2k0f s GLN 131 CO 0.00 -0.07 1.10 0.08 -0.25 0.00 0.00 175.29 176.15 2k0f s VAL 132 N 1.19 4.19 0.50 1.09 1.01 -1.04 -4.87 120.40 122.47 2k0f s VAL 132 Ca 0.03 0.85 0.08 0.00 0.00 0.00 0.00 61.98 62.93 2k0f s VAL 132 Cb -0.15 -4.62 0.08 0.00 0.00 0.00 0.00 36.38 31.70 2k0f s VAL 132 CO 0.01 -1.15 0.69 -0.46 0.00 0.00 0.00 175.10 174.19 2k0f n ASN 133 N 7.94 1.74 -0.31 3.32 0.23 -1.26 -0.60 115.26 126.32 2k0f n ASN 133 Ca 0.08 -2.28 -0.02 0.00 -0.53 0.00 0.00 54.58 51.83 2k0f n ASN 133 Cb 0.49 -0.37 0.03 0.00 -2.08 0.00 0.00 39.78 37.84 2k0f n ASN 133 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 2k0f h TYR 134 N 0.04 -1.00 -0.45 -2.53 0.05 -1.96 -2.13 116.97 108.99 2k0f h TYR 134 Ca -0.23 0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.59 2k0f h TYR 134 Cb 1.05 0.56 -0.02 0.00 1.01 0.00 0.00 36.73 39.33 2k0f h TYR 134 CO 0.00 -0.39 0.07 1.49 -1.05 0.00 0.00 178.16 178.27 2k0f h GLU 135 N -0.07 0.69 0.00 4.88 4.81 -1.95 0.04 114.58 122.98 2k0f h GLU 135 Ca 0.30 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2k0f h GLU 135 Cb 0.58 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2k0f h GLU 135 CO -0.86 0.66 -0.28 0.93 -0.73 0.00 0.00 179.01 178.73 2k0f h GLU 136 N 0.66 0.00 0.01 1.92 5.08 -1.80 -2.30 114.58 118.16 2k0f h GLU 136 Ca 0.14 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 136 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2k0f h GLU 136 CO 0.00 0.00 -0.70 0.35 -1.00 0.00 0.00 179.01 177.66 2k0f h PHE 137 N 0.00 0.05 0.47 4.33 3.57 -1.05 -3.35 116.94 120.96 2k0f h PHE 137 Ca 0.00 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2k0f h PHE 137 Cb 0.99 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.73 2k0f h PHE 137 CO 0.00 1.28 -0.23 0.28 -2.23 0.00 0.00 178.31 177.41 2k0f h VAL 138 N -0.93 0.46 0.00 1.41 2.07 -1.07 -3.05 116.25 115.15 2k0f h VAL 138 Ca -0.19 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2k0f h VAL 138 Cb 1.21 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2k0f h VAL 138 CO -0.09 0.06 0.00 1.56 0.02 0.00 0.00 177.57 179.12 2k0f h GLN 139 N -0.87 0.00 0.08 1.57 4.20 -1.64 -1.89 115.11 116.56 2k0f h GLN 139 Ca -0.07 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.38 2k0f h GLN 139 Cb 0.58 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.38 2k0f h GLN 139 CO 0.11 0.00 -1.15 1.98 -0.67 0.00 0.00 178.83 179.10 2k0f h MET 140 N 0.00 0.47 0.16 1.46 4.05 -1.70 -3.33 114.93 116.04 2k0f h MET 140 Ca 0.00 -0.62 -0.27 0.00 -0.28 0.00 0.00 59.70 58.53 2k0f h MET 140 Cb 0.68 0.20 0.01 0.00 -0.80 0.00 0.00 31.60 31.70 2k0f h MET 140 CO 0.00 1.25 -1.31 1.98 0.23 0.00 0.00 176.91 179.07 2k0f h MET 141 N 0.22 0.33 0.00 0.39 -1.53 -1.34 -3.51 114.93 109.49 2k0f h MET 141 Ca -0.14 -0.57 0.00 0.00 -3.44 0.00 0.00 59.70 55.55 2k0f h MET 141 Cb 1.82 0.21 0.00 0.00 -0.55 0.00 0.00 31.60 33.08 2k0f h MET 141 CO 0.21 1.27 0.00 0.25 0.14 0.00 0.00 176.91 178.78