#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 0.07 -0.00 -0.78 4.39 -2.06 -3.18 114.58 113.02 2k0f h GLU 2 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k0f h GLU 2 Cb 0.00 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2k0f h GLU 2 CO 0.00 0.05 0.00 0.93 -1.16 0.00 0.00 179.01 178.83 2k0f h GLU 3 N 0.07 0.00 -0.03 2.33 4.39 -2.05 0.44 114.58 119.74 2k0f h GLU 3 Ca 0.05 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 2k0f h GLU 3 Cb 0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2k0f h GLU 3 CO -0.06 0.00 -0.54 1.96 -1.16 0.00 0.00 179.01 179.20 2k0f h GLN 4 N 0.00 0.09 -0.35 2.33 4.20 -1.98 -2.71 115.11 116.68 2k0f h GLN 4 Ca 0.00 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 2k0f h GLN 4 Cb 0.00 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2k0f h GLN 4 CO -0.00 0.61 -0.10 0.82 -0.67 0.00 0.00 178.83 179.48 2k0f h ILE 5 N 0.07 1.28 0.00 2.54 1.08 -0.15 -1.47 117.51 120.85 2k0f h ILE 5 Ca -0.00 -1.18 -0.04 0.00 -0.39 0.00 0.00 64.86 63.25 2k0f h ILE 5 Cb 0.98 1.32 -0.01 0.00 -3.07 0.00 0.00 36.82 36.05 2k0f h ILE 5 CO 0.08 0.39 -0.18 0.00 -0.69 0.00 0.00 178.15 177.75 2k0f h ALA 6 N 0.81 1.58 -0.20 1.87 0.00 -1.47 0.35 119.26 122.20 2k0f h ALA 6 Ca 0.09 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2k0f h ALA 6 Cb 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k0f h ALA 6 CO 0.04 0.22 -0.45 1.49 0.00 0.00 0.00 179.25 180.55 2k0f h GLU 7 N 0.00 0.66 0.03 0.00 4.81 -1.27 -3.05 114.58 115.75 2k0f h GLU 7 Ca -0.00 -0.44 -0.23 0.00 -0.13 0.00 0.00 59.36 58.56 2k0f h GLU 7 Cb 0.34 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2k0f h GLU 7 CO 0.02 1.06 -1.09 0.74 -0.73 0.00 0.00 179.01 179.01 2k0f h PHE 8 N 0.35 0.10 -0.47 0.92 0.04 -0.77 -3.20 116.94 113.91 2k0f h PHE 8 Ca 0.00 -0.07 0.01 0.00 2.80 0.00 0.00 57.97 60.71 2k0f h PHE 8 Cb 1.06 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.18 2k0f h PHE 8 CO 0.09 1.06 0.31 -0.22 -0.60 0.00 0.00 178.31 178.95 2k0f h LYS 9 N 0.02 0.59 -0.14 1.51 3.64 -0.42 -1.54 116.57 120.23 2k0f h LYS 9 Ca -0.05 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 2k0f h LYS 9 Cb 1.82 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 33.47 2k0f h LYS 9 CO 0.14 0.39 -0.12 0.93 -2.27 0.00 0.00 179.45 178.53 2k0f h GLU 10 N 0.61 -0.13 -0.79 1.90 4.39 -1.53 -1.63 114.58 117.40 2k0f h GLU 10 Ca 0.18 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.98 2k0f h GLU 10 Cb -0.03 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 2k0f h GLU 10 CO -0.04 -0.08 0.52 0.00 -1.16 0.00 0.00 179.01 178.24 2k0f h ALA 11 N 0.97 1.77 0.00 3.43 0.00 -1.55 -1.12 119.26 122.76 2k0f h ALA 11 Ca 0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2k0f h ALA 11 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2k0f h ALA 11 CO -0.22 0.06 -0.23 0.35 0.00 0.00 0.00 179.25 179.21 2k0f h PHE 12 N 0.72 0.00 -0.04 0.00 3.57 -0.77 0.03 116.94 120.46 2k0f h PHE 12 Ca 0.37 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.78 2k0f h PHE 12 Cb 0.46 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2k0f h PHE 12 CO -0.00 0.23 -0.37 1.03 -2.23 0.00 0.00 178.31 176.97 2k0f h SER 13 N 0.00 0.07 -0.33 0.41 0.87 -0.26 -0.50 113.55 113.80 2k0f h SER 13 Ca -0.00 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.44 2k0f h SER 13 Cb 0.52 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 2k0f h SER 13 CO 0.03 0.43 -0.16 0.25 -0.53 0.00 0.00 176.83 176.85 2k0f h LEU 14 N 0.06 0.72 -0.02 2.23 7.12 -0.73 -3.31 115.31 121.38 2k0f h LEU 14 Ca 0.01 -0.41 -0.01 0.00 0.13 0.00 0.00 57.88 57.60 2k0f h LEU 14 Cb 0.68 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.61 2k0f h LEU 14 CO 0.05 0.97 -0.04 -0.26 -0.13 0.00 0.00 178.44 179.03 2k0f h PHE 15 N 0.47 0.07 -2.94 1.25 0.04 -1.32 -3.44 116.94 111.08 2k0f h PHE 15 Ca 0.07 -0.03 -0.57 0.00 2.80 0.00 0.00 57.97 60.25 2k0f h PHE 15 Cb 0.70 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.80 2k0f h PHE 15 CO 0.06 0.63 1.09 0.34 -0.60 0.00 0.00 178.31 179.82 2k0f s ASP 16 N -5.87 6.41 -0.06 2.17 -1.08 -0.20 -4.85 116.67 113.19 2k0f s ASP 16 Ca -0.16 1.36 -0.12 0.00 -0.52 0.00 0.00 52.55 53.12 2k0f s ASP 16 Cb 0.01 -2.53 -0.30 0.00 -1.46 0.00 0.00 42.92 38.64 2k0f s ASP 16 CO 0.69 -1.28 0.64 0.11 0.52 0.00 0.00 175.17 175.86 2k0f h LYS 17 N 10.52 0.37 0.31 4.34 1.79 -1.84 -3.38 116.57 128.68 2k0f h LYS 17 Ca -0.31 -0.64 -0.02 0.00 -2.18 0.00 0.00 60.65 57.51 2k0f h LYS 17 Cb 1.13 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 2k0f h LYS 17 CO 1.02 1.31 -0.15 -0.44 -1.08 0.00 0.00 179.45 180.11 2k0f h ASP 18 N 0.05 -0.35 0.00 0.86 3.32 -1.91 -3.49 116.42 114.90 2k0f h ASP 18 Ca -0.34 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2k0f h ASP 18 Cb 2.05 0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.69 2k0f h ASP 18 CO 0.16 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.39 2k0f n GLY 19 N 0.73 1.04 0.14 2.75 0.00 -1.26 -5.06 105.19 103.53 2k0f n GLY 19 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 0.61 0.00 1.61 2.03 -1.94 -3.48 116.42 115.24 2k0f h ASP 20 Ca 0.00 -0.83 0.00 0.00 -0.73 0.00 0.00 57.03 55.47 2k0f h ASP 20 Cb 0.00 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.30 2k0f h ASP 20 CO 0.00 1.69 0.00 0.61 -1.03 0.00 0.00 179.24 180.51 2k0f n GLY 21 N 1.79 0.79 3.22 7.15 0.00 -1.26 -5.15 105.19 111.73 2k0f n GLY 21 Ca -0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 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 1.38 -0.21 2.61 -4.23 -1.26 -3.52 115.64 110.41 2k0f s THR 22 Ca 0.00 -1.37 -0.14 0.00 -1.18 0.00 0.00 61.69 59.00 2k0f s THR 22 Cb 0.00 -1.28 -0.04 0.00 1.34 0.00 0.00 72.50 72.52 2k0f s THR 22 CO 0.00 -0.12 0.33 -0.63 -0.54 0.00 0.00 174.62 173.66 2k0f s ILE 23 N -1.17 5.25 0.63 2.99 1.01 -0.28 -4.70 121.20 124.93 2k0f s ILE 23 Ca 0.02 0.56 0.03 0.00 0.00 0.00 0.00 60.65 61.26 2k0f s ILE 23 Cb -0.10 -3.66 0.09 0.00 0.01 0.00 0.00 42.46 38.80 2k0f s ILE 23 CO 0.03 0.29 0.88 0.42 0.00 0.00 0.00 174.94 176.55 2k0f s THR 24 N 1.15 2.28 0.29 2.92 -4.23 -1.26 -1.96 115.64 114.83 2k0f s THR 24 Ca 0.16 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 2k0f s THR 24 Cb -0.14 -2.53 0.13 0.00 1.34 0.00 0.00 72.50 71.30 2k0f s THR 24 CO 0.07 0.00 1.81 0.71 -0.54 0.00 0.00 174.62 176.66 2k0f h THR 25 N -0.16 1.23 0.20 3.99 1.35 -1.89 -0.51 112.91 117.11 2k0f h THR 25 Ca -0.36 -0.92 -0.00 0.00 -0.55 0.00 0.00 66.41 64.59 2k0f h THR 25 Cb 1.28 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 68.57 2k0f h THR 25 CO 0.42 0.32 -0.35 0.50 -0.25 0.00 0.00 175.52 176.16 2k0f h LYS 26 N 0.65 -0.58 -0.98 4.72 3.64 -1.98 -1.47 116.57 120.58 2k0f h LYS 26 Ca 0.13 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.67 2k0f h LYS 26 Cb 0.40 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.27 2k0f h LYS 26 CO 0.01 -0.38 0.61 0.93 -2.27 0.00 0.00 179.45 178.35 2k0f h GLU 27 N -0.60 0.94 -0.09 1.90 5.08 -1.88 0.10 114.58 120.03 2k0f h GLU 27 Ca -0.02 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 2k0f h GLU 27 Cb 0.56 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2k0f h GLU 27 CO -0.13 0.62 -0.21 1.25 -1.00 0.00 0.00 179.01 179.55 2k0f h LEU 28 N 0.97 0.34 -0.29 1.33 5.85 -1.14 -1.20 115.31 121.17 2k0f h LEU 28 Ca 0.48 -0.57 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 2k0f h LEU 28 Cb 0.46 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2k0f h LEU 28 CO -0.26 0.85 -0.16 1.23 -0.34 0.00 0.00 178.44 179.76 2k0f h GLY 29 N -0.15 0.67 0.89 3.75 0.00 -1.08 -1.90 103.07 105.25 2k0f h GLY 29 Ca 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 47.33 46.74 2k0f h GLY 29 CO 0.05 0.56 0.46 -0.84 0.00 0.00 0.00 176.54 176.77 2k0f h THR 30 N 0.36 1.11 -0.39 4.70 2.02 -0.76 -0.49 112.91 119.47 2k0f h THR 30 Ca 0.06 -0.31 0.08 0.00 0.77 0.00 0.00 66.41 67.01 2k0f h THR 30 Cb 0.69 0.12 -0.09 0.00 -1.74 0.00 0.00 68.15 67.13 2k0f h THR 30 CO 0.05 0.17 -0.26 0.58 0.37 0.00 0.00 175.52 176.43 2k0f h VAL 31 N 0.91 0.32 -0.07 3.16 2.07 -0.86 -3.01 116.25 118.77 2k0f h VAL 31 Ca 0.29 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.66 2k0f h VAL 31 Cb 0.00 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2k0f h VAL 31 CO -0.10 0.00 -0.62 0.24 0.02 0.00 0.00 177.57 177.10 2k0f h MET 32 N -0.19 0.26 -0.00 1.57 2.86 -0.90 -2.61 114.93 115.91 2k0f h MET 32 Ca 0.19 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k0f h MET 32 Cb 0.49 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2k0f h MET 32 CO -0.51 0.80 -0.02 2.89 1.06 0.00 0.00 176.91 181.13 2k0f n ARG 33 N -3.86 0.82 0.11 1.72 1.85 -0.23 -1.70 116.66 115.37 2k0f n ARG 33 Ca -0.03 -0.10 -0.23 0.00 -1.00 0.00 0.00 57.85 56.49 2k0f n ARG 33 Cb 0.63 -1.50 -0.15 0.00 -1.05 0.00 0.00 32.46 30.39 2k0f n ARG 33 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2k0f h SER 34 N 0.24 0.72 -0.09 2.89 0.87 -1.32 -3.36 113.55 113.49 2k0f h SER 34 Ca 0.00 -0.93 -0.01 0.00 -1.23 0.00 0.00 61.79 59.62 2k0f h SER 34 Cb 0.17 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2k0f h SER 34 CO 0.00 1.64 0.02 -0.07 -0.53 0.00 0.00 176.83 177.89 2k0f h LEU 35 N -0.01 0.14 0.00 2.23 3.38 -1.28 -3.49 115.31 116.29 2k0f h LEU 35 Ca -0.24 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2k0f h LEU 35 Cb 2.02 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.73 2k0f h LEU 35 CO 0.23 0.33 0.00 0.61 0.09 0.00 0.00 178.44 179.70 2k0f n GLY 36 N -0.50 -1.61 3.79 0.83 0.00 -0.69 -5.12 105.19 101.89 2k0f n GLY 36 Ca -0.06 0.77 -0.32 0.00 0.00 0.00 0.00 46.02 46.41 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 1.12 2.91 -0.48 1.61 -1.52 -1.25 -4.54 119.66 117.51 2k0f s GLN 37 Ca 0.00 1.19 -0.12 0.00 -1.95 0.00 0.00 55.36 54.48 2k0f s GLN 37 Cb 0.00 -1.98 0.10 0.00 -0.22 0.00 0.00 33.01 30.92 2k0f s GLN 37 CO 0.00 -1.13 0.37 1.21 -0.25 0.00 0.00 175.29 175.49 2k0f s ASN 38 N -3.05 5.90 0.92 5.90 2.47 -1.26 -3.77 114.94 122.04 2k0f s ASN 38 Ca 0.63 -1.67 -0.11 0.00 0.42 0.00 0.00 52.86 52.12 2k0f s ASN 38 Cb -0.17 -2.09 0.14 0.00 -1.45 0.00 0.00 41.25 37.69 2k0f s ASN 38 CO 0.45 -0.69 1.09 -2.16 -3.72 0.00 0.00 177.10 172.08 2k0f s PRO 39 N 1.49 1.03 0.60 0.43 0.04 -1.26 -5.05 135.00 132.29 2k0f s PRO 39 Ca 0.04 1.06 -0.07 0.00 0.04 0.00 0.00 61.00 62.07 2k0f s PRO 39 Cb -0.26 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2k0f s PRO 39 CO 0.02 -2.46 0.93 0.95 0.04 0.00 0.00 177.00 176.48 2k0f s THR 40 N -2.79 3.80 0.34 1.26 -4.23 -1.26 -4.94 115.64 107.82 2k0f s THR 40 Ca 0.65 0.15 0.03 0.00 -1.18 0.00 0.00 61.69 61.33 2k0f s THR 40 Cb -0.20 -3.52 0.22 0.00 1.34 0.00 0.00 72.50 70.34 2k0f s THR 40 CO 0.58 -0.57 1.95 -0.33 -0.54 0.00 0.00 174.62 175.72 2k0f h GLU 41 N -0.23 0.73 -0.39 3.99 5.08 -1.98 -1.77 114.58 120.01 2k0f h GLU 41 Ca -0.45 -0.08 0.08 0.00 -1.00 0.00 0.00 59.36 57.90 2k0f h GLU 41 Cb 1.25 -0.14 -0.08 0.00 0.50 0.00 0.00 28.75 30.28 2k0f h GLU 41 CO 0.61 0.57 -0.12 0.00 -1.00 0.00 0.00 179.01 179.07 2k0f h ALA 42 N 1.55 0.21 -0.97 3.43 0.00 -1.99 -1.45 119.26 120.04 2k0f h ALA 42 Ca 0.18 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.31 2k0f h ALA 42 Cb 0.07 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2k0f h ALA 42 CO -0.03 -0.48 0.62 0.93 0.00 0.00 0.00 179.25 180.29 2k0f h GLU 43 N -0.04 1.10 -0.17 0.00 5.08 -1.87 -2.41 114.58 116.26 2k0f h GLU 43 Ca 0.19 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2k0f h GLU 43 Cb 0.33 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2k0f h GLU 43 CO -0.42 0.73 -0.27 -0.07 -1.00 0.00 0.00 179.01 177.98 2k0f h LEU 44 N 1.13 0.32 -0.23 1.33 3.38 -0.94 -2.20 115.31 118.10 2k0f h LEU 44 Ca 0.42 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 58.07 2k0f h LEU 44 Cb 0.16 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2k0f h LEU 44 CO -0.17 0.59 -0.88 -0.61 0.09 0.00 0.00 178.44 177.46 2k0f h GLN 45 N 0.29 0.43 -0.24 1.13 4.15 -0.82 -3.17 115.11 116.87 2k0f h GLN 45 Ca 0.04 -0.42 -0.09 0.00 0.77 0.00 0.00 58.65 58.95 2k0f h GLN 45 Cb 0.62 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.42 2k0f h GLN 45 CO 0.04 1.08 -0.21 0.22 -1.93 0.00 0.00 178.83 178.03 2k0f h ASP 46 N 0.26 0.61 -0.38 -0.69 3.58 -1.03 -1.52 116.42 117.25 2k0f h ASP 46 Ca -0.07 -0.46 0.06 0.00 0.42 0.00 0.00 57.03 56.99 2k0f h ASP 46 Cb 1.50 -0.17 -0.09 0.00 1.72 0.00 0.00 39.33 42.29 2k0f h ASP 46 CO 0.15 0.94 -0.45 0.24 -2.88 0.00 0.00 179.24 177.25 2k0f h MET 47 N 0.28 -0.35 0.56 0.28 2.86 -1.50 -0.79 114.93 116.28 2k0f h MET 47 Ca 0.04 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2k0f h MET 47 Cb 0.76 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 2k0f h MET 47 CO 0.05 -0.23 -0.48 0.82 1.06 0.00 0.00 176.91 178.14 2k0f h ILE 48 N -0.36 0.00 -0.69 -1.22 2.04 -1.60 -3.30 117.51 112.38 2k0f h ILE 48 Ca 0.12 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.04 2k0f h ILE 48 Cb 0.59 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 2k0f h ILE 48 CO -0.56 0.00 0.46 0.78 0.00 0.00 0.00 178.15 178.83 2k0f h ASN 49 N -1.01 0.64 0.12 1.72 2.35 -1.05 0.15 115.58 118.49 2k0f h ASN 49 Ca -0.07 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 2k0f h ASN 49 Cb 0.86 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 2k0f h ASN 49 CO -0.01 0.42 -0.24 1.05 -1.65 0.00 0.00 177.43 177.00 2k0f h GLU 50 N 0.73 0.22 0.00 0.81 4.11 -1.22 -2.96 114.58 116.27 2k0f h GLU 50 Ca 0.29 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.66 2k0f h GLU 50 Cb 0.22 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2k0f h GLU 50 CO -0.09 0.46 -0.82 1.33 0.07 0.00 0.00 179.01 179.95 2k0f n VAL 51 N -4.18 0.11 -1.68 -1.06 0.24 -0.84 -4.89 118.33 106.02 2k0f n VAL 51 Ca -0.01 -0.13 -0.48 0.00 -2.04 0.00 0.00 64.34 61.68 2k0f n VAL 51 Cb 0.35 0.31 -0.05 0.00 -1.47 0.00 0.00 33.84 32.98 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2k0f n ASP 52 N -1.76 3.36 -0.06 -1.34 2.03 0.45 -4.84 116.55 114.39 2k0f n ASP 52 Ca 0.03 1.00 -0.04 0.00 0.52 0.00 0.00 54.79 56.31 2k0f n ASP 52 Cb 0.39 -1.38 -0.01 0.00 -0.72 0.00 0.00 41.12 39.39 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f h ALA 53 N 8.41 0.00 -0.73 -1.67 0.00 -1.90 -3.40 119.26 119.97 2k0f h ALA 53 Ca -0.48 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 53.95 2k0f h ALA 53 Cb 1.27 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 2k0f h ALA 53 CO 0.93 0.42 0.32 0.38 0.00 0.00 0.00 179.25 181.31 2k0f h ASP 54 N -0.91 0.98 0.00 0.00 3.04 -1.94 -3.48 116.42 114.11 2k0f h ASP 54 Ca 0.00 -0.15 0.00 0.00 -3.24 0.00 0.00 57.03 53.64 2k0f h ASP 54 Cb 0.42 -0.25 0.00 0.00 -1.04 0.00 0.00 39.33 38.46 2k0f h ASP 54 CO 0.00 0.87 0.00 0.61 -2.04 0.00 0.00 179.24 178.68 2k0f n GLY 55 N -0.92 1.08 0.20 7.15 0.00 -1.26 -5.01 105.19 106.43 2k0f n GLY 55 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.95 -3.46 115.58 118.86 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 0.34 0.00 0.61 -2.08 0.00 0.00 177.43 176.30 2k0f n GLY 57 N -0.17 0.85 3.12 9.14 0.00 -1.26 -5.07 105.19 111.79 2k0f n GLY 57 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 0.88 -0.10 2.61 -4.23 -1.26 -4.74 115.64 106.80 2k0f s THR 58 Ca 0.00 -1.14 -0.15 0.00 -1.18 0.00 0.00 61.69 59.23 2k0f s THR 58 Cb 0.00 -0.87 -0.05 0.00 1.34 0.00 0.00 72.50 72.92 2k0f s THR 58 CO 0.00 -0.23 0.36 -0.51 -0.54 0.00 0.00 174.62 173.70 2k0f s ILE 59 N -1.20 5.21 0.42 2.99 2.07 -0.83 -4.86 121.20 125.00 2k0f s ILE 59 Ca -0.04 0.72 0.08 0.00 -1.41 0.00 0.00 60.65 59.99 2k0f s ILE 59 Cb -0.09 -3.69 -0.02 0.00 0.13 0.00 0.00 42.46 38.78 2k0f s ILE 59 CO 0.01 0.44 0.35 -1.81 -1.91 0.00 0.00 174.94 172.03 2k0f s ASP 60 N -0.01 4.98 0.14 4.50 1.11 -1.26 -1.13 116.67 124.99 2k0f s ASP 60 Ca 0.21 -0.78 -0.24 0.00 0.18 0.00 0.00 52.55 51.91 2k0f s ASP 60 Cb -0.14 -0.56 -0.01 0.00 1.07 0.00 0.00 42.92 43.28 2k0f s ASP 60 CO 0.08 -0.64 1.63 0.15 1.18 0.00 0.00 175.17 177.57 2k0f h PHE 61 N 1.08 -0.70 0.00 4.23 3.57 -1.98 -1.65 116.94 121.49 2k0f h PHE 61 Ca -0.42 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.12 2k0f h PHE 61 Cb 1.26 0.33 0.00 0.00 2.79 0.00 0.00 35.95 40.33 2k0f h PHE 61 CO 0.53 -0.34 0.00 -0.35 -2.23 0.00 0.00 178.31 175.92 2k0f n PRO 62 N -5.38 0.16 0.01 6.41 -0.04 -1.26 -0.90 135.00 134.01 2k0f n PRO 62 Ca -0.03 0.14 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 2k0f n PRO 62 Cb 0.29 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.11 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 0.27 -0.20 0.54 5.08 -1.77 -2.22 114.58 116.29 2k0f h GLU 63 Ca 0.00 -0.47 0.02 0.00 -1.00 0.00 0.00 59.36 57.91 2k0f h GLU 63 Cb 0.23 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2k0f h GLU 63 CO 0.00 1.22 -0.21 0.35 -1.00 0.00 0.00 179.01 179.38 2k0f h PHE 64 N -0.09 -0.65 -0.80 4.33 3.57 -1.19 -2.22 116.94 119.90 2k0f h PHE 64 Ca -0.37 0.03 0.18 0.00 3.53 0.00 0.00 57.97 61.34 2k0f h PHE 64 Cb 1.94 0.31 -0.15 0.00 2.79 0.00 0.00 35.95 40.84 2k0f h PHE 64 CO 0.10 -0.17 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.85 2k0f h LEU 65 N -0.11 -0.54 -0.92 0.59 3.38 -1.08 -1.07 115.31 115.55 2k0f h LEU 65 Ca 0.03 0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2k0f h LEU 65 Cb 0.20 0.43 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2k0f h LEU 65 CO -0.25 -0.24 0.28 0.74 0.09 0.00 0.00 178.44 179.07 2k0f h THR 66 N 0.05 1.24 -0.04 0.22 2.02 -1.33 0.52 112.91 115.59 2k0f h THR 66 Ca 0.42 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 2k0f h THR 66 Cb 0.72 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2k0f h THR 66 CO -0.76 0.31 -0.01 -0.03 0.37 0.00 0.00 175.52 175.40 2k0f h MET 67 N 1.04 0.08 0.00 6.66 1.85 -0.73 -2.81 114.93 121.02 2k0f h MET 67 Ca 0.24 -0.03 -0.17 0.00 -0.61 0.00 0.00 59.70 59.13 2k0f h MET 67 Cb 0.20 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.21 2k0f h MET 67 CO -0.02 0.44 -0.79 0.52 -0.40 0.00 0.00 176.91 176.66 2k0f h MET 68 N -0.28 0.00 0.00 0.39 2.86 -1.18 -1.98 114.93 114.74 2k0f h MET 68 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2k0f h MET 68 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2k0f h MET 68 CO 0.00 0.79 0.00 0.00 1.06 0.00 0.00 176.91 178.77 2k0f h ALA 69 N 1.21 1.00 -2.65 6.32 0.00 -0.93 -3.43 119.26 120.78 2k0f h ALA 69 Ca -0.01 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 2k0f h ALA 69 Cb 1.42 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2k0f h ALA 69 CO 0.10 0.00 0.25 0.50 0.00 0.00 0.00 179.25 180.11 2k0f s ARG 70 N -3.57 4.62 -0.12 0.00 3.52 -0.75 -5.05 118.95 117.60 2k0f s ARG 70 Ca 0.02 1.26 0.01 0.00 -0.13 0.00 0.00 55.73 56.89 2k0f s ARG 70 Cb 0.09 -3.34 -0.01 0.00 -1.56 0.00 0.00 34.95 30.13 2k0f s ARG 70 CO 0.49 0.33 -0.16 0.15 -0.81 0.00 0.00 175.30 175.29 2k0f s LYS 71 N -0.32 3.29 0.00 5.12 1.02 -1.26 -4.97 119.74 122.62 2k0f s LYS 71 Ca 0.41 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.66 2k0f s LYS 71 Cb -0.22 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 2k0f s LYS 71 CO 0.27 0.20 0.00 -1.33 -0.92 0.00 0.00 175.35 173.57 2k0f n MET 72 N 3.53 1.07 0.00 1.68 2.81 -1.26 -5.09 117.12 119.86 2k0f n MET 72 Ca -0.18 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.71 2k0f n MET 72 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 2k0f n MET 72 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2k0f n LYS 73 N 0.00 0.43 0.01 0.03 5.02 -1.26 -4.88 118.16 117.50 2k0f n LYS 73 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 2k0f n LYS 73 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.87 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k0f n ASP 74 N -1.34 2.10 0.03 4.39 9.92 -1.26 -2.67 116.55 127.72 2k0f n ASP 74 Ca 0.00 0.21 -0.10 0.00 -0.53 0.00 0.00 54.79 54.37 2k0f n ASP 74 Cb 0.00 -0.85 -0.04 0.00 -0.64 0.00 0.00 41.12 39.60 2k0f n ASP 74 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 2k0f h THR 75 N 0.07 0.46 0.00 -3.53 1.35 -2.00 -2.57 112.91 106.69 2k0f h THR 75 Ca -0.42 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.40 2k0f h THR 75 Cb 2.04 0.46 -0.00 0.00 -1.73 0.00 0.00 68.15 68.91 2k0f h THR 75 CO 0.09 0.00 -0.16 0.44 -0.25 0.00 0.00 175.52 175.64 2k0f h ASP 76 N -0.32 0.00 1.64 5.36 3.32 -1.95 -2.24 116.42 122.23 2k0f h ASP 76 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2k0f h ASP 76 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2k0f h ASP 76 CO -0.25 0.16 -0.32 0.28 -1.72 0.00 0.00 179.24 177.39 2k0f h SER 77 N 0.00 0.00 0.00 6.45 0.02 -1.25 -1.61 113.55 117.16 2k0f h SER 77 Ca -0.00 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.81 2k0f h SER 77 Cb 0.41 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 2k0f h SER 77 CO 0.02 0.00 -0.73 -0.08 -1.14 0.00 0.00 176.83 174.90 2k0f h GLU 78 N 0.00 0.00 -0.77 3.45 4.57 -1.06 -3.31 114.58 117.46 2k0f h GLU 78 Ca 0.00 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.32 2k0f h GLU 78 Cb 0.98 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.52 2k0f h GLU 78 CO 0.00 0.97 0.51 1.49 -1.18 0.00 0.00 179.01 180.80 2k0f h GLU 79 N -1.00 0.50 -0.53 1.92 4.81 -1.44 -1.92 114.58 116.92 2k0f h GLU 79 Ca -0.20 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.08 2k0f h GLU 79 Cb 1.15 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.36 2k0f h GLU 79 CO -0.12 0.33 0.18 1.49 -0.73 0.00 0.00 179.01 180.16 2k0f h GLU 80 N 0.52 0.35 0.00 1.92 4.81 -1.39 0.20 114.58 120.99 2k0f h GLU 80 Ca 0.38 -0.02 -0.26 0.00 -0.13 0.00 0.00 59.36 59.33 2k0f h GLU 80 Cb 0.74 -0.08 0.02 0.00 0.63 0.00 0.00 28.75 30.06 2k0f h GLU 80 CO -0.14 0.23 -1.02 0.82 -0.73 0.00 0.00 179.01 178.17 2k0f h ILE 81 N 0.36 1.31 -0.51 2.32 1.08 -1.49 -2.73 117.51 117.86 2k0f h ILE 81 Ca 0.26 -2.31 0.04 0.00 -0.39 0.00 0.00 64.86 62.46 2k0f h ILE 81 Cb 0.30 2.40 -0.04 0.00 -3.07 0.00 0.00 36.82 36.41 2k0f h ILE 81 CO -0.27 0.71 0.27 0.03 -0.69 0.00 0.00 178.15 178.20 2k0f h ARG 82 N 0.35 0.52 -0.18 2.37 2.47 -0.59 0.14 114.38 119.47 2k0f h ARG 82 Ca -0.12 -0.03 -0.15 0.00 -1.26 0.00 0.00 59.98 58.42 2k0f h ARG 82 Cb 1.67 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.87 2k0f h ARG 82 CO 0.20 0.35 -0.52 0.93 0.56 0.00 0.00 179.97 181.48 2k0f h GLU 83 N 0.54 0.50 -0.37 0.04 4.39 -0.72 0.50 114.58 119.46 2k0f h GLU 83 Ca 0.22 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.61 2k0f h GLU 83 Cb 0.09 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2k0f h GLU 83 CO -0.13 0.90 0.23 0.00 -1.16 0.00 0.00 179.01 178.85 2k0f h ALA 84 N 1.04 0.48 -0.48 3.43 0.00 -1.10 -2.57 119.26 120.05 2k0f h ALA 84 Ca 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k0f h ALA 84 Cb 1.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2k0f h ALA 84 CO 0.10 -0.04 0.29 0.35 0.00 0.00 0.00 179.25 179.94 2k0f h PHE 85 N 0.50 0.63 -0.57 0.00 3.57 -0.20 -2.15 116.94 118.72 2k0f h PHE 85 Ca 0.14 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.80 2k0f h PHE 85 Cb -0.02 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 2k0f h PHE 85 CO -0.04 0.44 0.51 0.00 -2.23 0.00 0.00 178.31 176.99 2k0f h ARG 86 N 0.64 0.00 -0.00 1.11 3.08 -0.60 0.07 114.38 118.67 2k0f h ARG 86 Ca 0.17 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 2k0f h ARG 86 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2k0f h ARG 86 CO -0.03 0.00 -0.09 0.28 -1.07 0.00 0.00 179.97 179.06 2k0f h VAL 87 N 0.00 1.59 0.43 2.04 2.07 -1.02 -3.39 116.25 117.96 2k0f h VAL 87 Ca 0.27 -1.85 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 2k0f h VAL 87 Cb 1.28 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.87 2k0f h VAL 87 CO -0.00 0.49 -0.20 -0.26 0.02 0.00 0.00 177.57 177.61 2k0f h PHE 88 N -0.67 -0.53 -3.20 1.57 0.04 -1.11 -3.41 116.94 109.64 2k0f h PHE 88 Ca -0.01 -0.01 -0.57 0.00 2.80 0.00 0.00 57.97 60.18 2k0f h PHE 88 Cb 0.85 0.18 -0.05 0.00 2.20 0.00 0.00 35.95 39.13 2k0f h PHE 88 CO 0.19 -0.22 1.06 0.34 -0.60 0.00 0.00 178.31 179.08 2k0f s ASP 89 N -4.92 6.41 -0.05 2.17 -1.08 -0.02 -4.72 116.67 114.45 2k0f s ASP 89 Ca -0.12 0.98 -0.14 0.00 -0.52 0.00 0.00 52.55 52.74 2k0f s ASP 89 Cb 0.01 -2.54 -0.31 0.00 -1.46 0.00 0.00 42.92 38.63 2k0f s ASP 89 CO 0.43 -1.35 0.72 0.50 0.52 0.00 0.00 175.17 175.99 2k0f h LYS 90 N 10.43 0.38 0.00 4.34 1.63 -1.87 -3.36 116.57 128.12 2k0f h LYS 90 Ca -0.28 -0.64 -0.25 0.00 -0.85 0.00 0.00 60.65 58.63 2k0f h LYS 90 Cb 1.11 0.24 -0.04 0.00 -0.60 0.00 0.00 32.23 32.93 2k0f h LYS 90 CO 1.07 1.31 -1.71 -0.40 -3.45 0.00 0.00 179.45 176.27 2k0f n ASP 91 N -3.76 0.73 0.00 4.20 5.68 -1.26 -4.97 116.55 117.17 2k0f n ASP 91 Ca -0.22 0.34 0.00 0.00 -0.50 0.00 0.00 54.79 54.41 2k0f n ASP 91 Cb 1.01 0.20 0.00 0.00 -1.14 0.00 0.00 41.12 41.19 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 1.52 0.68 0.40 6.12 0.00 -1.26 -4.96 105.19 107.69 2k0f n GLY 92 Ca -0.16 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.05 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 0.33 0.00 1.61 -1.07 -1.93 -3.46 115.58 111.05 2k0f h ASN 93 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.40 2k0f h ASN 93 Cb 0.00 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 36.22 2k0f h ASN 93 CO 0.00 0.14 0.00 0.61 0.07 0.00 0.00 177.43 178.25 2k0f n GLY 94 N -1.55 1.00 2.76 9.14 0.00 -1.26 -5.10 105.19 110.19 2k0f n GLY 94 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 1.05 -0.45 1.61 1.51 -1.26 -4.08 117.35 113.73 2k0f s TYR 95 Ca 0.00 -0.78 -0.29 0.00 -1.01 0.00 0.00 57.07 54.99 2k0f s TYR 95 Cb 0.00 -1.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.85 2k0f s TYR 95 CO 0.00 -0.57 1.23 0.42 -1.11 0.00 0.00 175.55 175.52 2k0f s ILE 96 N 1.85 4.11 0.88 2.71 1.01 -0.82 -4.83 121.20 126.11 2k0f s ILE 96 Ca 0.00 1.14 -0.14 0.00 0.00 0.00 0.00 60.65 61.65 2k0f s ILE 96 Cb -0.16 -4.46 0.13 0.00 0.01 0.00 0.00 42.46 37.98 2k0f s ILE 96 CO -0.07 -0.90 1.23 -0.94 0.00 0.00 0.00 174.94 174.25 2k0f s SER 97 N 2.94 3.83 0.25 3.58 1.04 -1.26 -2.29 113.70 121.78 2k0f s SER 97 Ca 0.53 0.59 -0.04 0.00 0.48 0.00 0.00 55.95 57.50 2k0f s SER 97 Cb -0.10 -0.91 0.38 0.00 0.10 0.00 0.00 66.02 65.49 2k0f s SER 97 CO 0.32 -2.32 1.83 0.00 0.98 0.00 0.00 173.24 174.05 2k0f h ALA 98 N -1.35 1.20 -0.11 5.32 0.00 -1.96 -0.72 119.26 121.65 2k0f h ALA 98 Ca -0.46 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2k0f h ALA 98 Cb 1.29 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2k0f h ALA 98 CO 0.54 0.18 0.03 0.00 0.00 0.00 0.00 179.25 180.00 2k0f h ALA 99 N 1.44 0.14 0.07 0.00 0.00 -1.98 -0.52 119.26 118.41 2k0f h ALA 99 Ca 0.39 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2k0f h ALA 99 Cb 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2k0f h ALA 99 CO -0.22 -0.23 -0.03 0.93 0.00 0.00 0.00 179.25 179.70 2k0f h GLU 100 N -0.03 -0.09 -0.94 0.00 5.08 -1.89 -3.06 114.58 113.66 2k0f h GLU 100 Ca 0.03 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.53 2k0f h GLU 100 Cb 0.25 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 29.38 2k0f h GLU 100 CO 0.00 0.28 -0.43 1.25 -1.00 0.00 0.00 179.01 179.11 2k0f h LEU 101 N -0.48 -1.58 -1.43 1.33 5.85 -1.15 -2.26 115.31 115.59 2k0f h LEU 101 Ca -0.01 0.30 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 2k0f h LEU 101 Cb 0.42 0.78 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 2k0f h LEU 101 CO 0.02 -0.28 0.33 -0.09 -0.34 0.00 0.00 178.44 178.08 2k0f h ARG 102 N -0.03 0.72 0.19 1.25 2.43 -1.01 -2.17 114.38 115.76 2k0f h ARG 102 Ca 0.29 -0.05 -0.35 0.00 -0.81 0.00 0.00 59.98 59.05 2k0f h ARG 102 Cb 0.55 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2k0f h ARG 102 CO -0.94 0.50 -1.74 1.25 -1.51 0.00 0.00 179.97 177.53 2k0f h HIS 103 N 0.73 0.73 -0.24 2.20 2.76 -1.32 -2.18 115.15 117.83 2k0f h HIS 103 Ca 0.19 -0.53 0.06 0.00 -2.20 0.00 0.00 60.37 57.89 2k0f h HIS 103 Cb -0.05 -0.03 -0.08 0.00 1.55 0.00 0.00 27.41 28.81 2k0f h HIS 103 CO 0.00 1.67 -0.36 0.28 -1.30 0.00 0.00 177.93 178.22 2k0f h VAL 104 N 0.11 0.21 -0.11 5.26 2.07 -1.34 0.31 116.25 122.75 2k0f h VAL 104 Ca -0.34 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.00 2k0f h VAL 104 Cb 2.10 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2k0f h VAL 104 CO 0.18 0.00 -0.68 0.24 0.02 0.00 0.00 177.57 177.33 2k0f h MET 105 N -0.37 0.46 -0.73 1.57 2.86 -1.46 0.10 114.93 117.36 2k0f h MET 105 Ca 0.12 -0.35 -0.05 0.00 -2.06 0.00 0.00 59.70 57.35 2k0f h MET 105 Cb 0.57 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 2k0f h MET 105 CO -0.44 0.97 0.24 1.15 1.06 0.00 0.00 176.91 179.90 2k0f h THR 106 N 0.33 1.26 -0.20 2.22 2.02 -1.12 0.91 112.91 118.32 2k0f h THR 106 Ca -0.02 -0.87 -0.20 0.00 0.77 0.00 0.00 66.41 66.09 2k0f h THR 106 Cb 1.25 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2k0f h THR 106 CO 0.12 0.34 -0.66 0.78 0.37 0.00 0.00 175.52 176.48 2k0f h ASN 107 N 1.07 0.93 -0.62 4.18 2.35 -0.10 -1.19 115.58 122.20 2k0f h ASN 107 Ca 0.24 -0.59 0.18 0.00 -0.55 0.00 0.00 56.30 55.58 2k0f h ASN 107 Cb 0.28 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 2k0f h ASN 107 CO -0.01 1.36 0.45 -0.07 -1.65 0.00 0.00 177.43 177.51 2k0f h LEU 108 N 0.55 0.02 0.00 1.61 3.38 -0.50 -3.45 115.31 116.92 2k0f h LEU 108 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k0f h LEU 108 Cb 1.28 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2k0f h LEU 108 CO 0.14 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.29 2k0f n GLY 109 N -1.65 1.96 3.69 0.83 0.00 -0.34 -4.90 105.19 104.79 2k0f n GLY 109 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.10 4.34 -0.89 1.61 0.41 0.17 -4.96 118.70 119.28 2k0f s GLU 110 Ca 0.00 0.77 -0.25 0.00 -0.41 0.00 0.00 54.97 55.09 2k0f s GLU 110 Cb 0.00 -3.50 0.02 0.00 -1.78 0.00 0.00 34.13 28.87 2k0f s GLU 110 CO 0.00 -0.06 1.50 0.21 -0.49 0.00 0.00 175.26 176.42 2k0f s LYS 111 N 1.28 3.25 -0.02 1.61 2.20 -1.26 -4.17 119.74 122.63 2k0f s LYS 111 Ca 0.34 -0.61 -0.02 0.00 -0.36 0.00 0.00 55.97 55.31 2k0f s LYS 111 Cb -0.17 -4.90 -0.04 0.00 -1.51 0.00 0.00 37.83 31.21 2k0f s LYS 111 CO 0.14 -2.40 0.16 -0.51 -0.36 0.00 0.00 175.35 172.38 2k0f s LEU 112 N 6.25 4.26 0.51 5.43 1.43 -1.26 -5.12 118.68 130.18 2k0f s LEU 112 Ca 0.48 0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 2k0f s LEU 112 Cb -0.04 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 2k0f s LEU 112 CO 0.01 0.28 0.01 0.42 0.23 0.00 0.00 176.35 177.30 2k0f s THR 113 N -1.27 1.10 0.04 5.49 -4.23 -1.26 -5.06 115.64 110.44 2k0f s THR 113 Ca 0.25 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.60 2k0f s THR 113 Cb -0.12 -2.15 -0.22 0.00 1.34 0.00 0.00 72.50 71.34 2k0f s THR 113 CO 0.17 0.00 1.16 0.44 -0.54 0.00 0.00 174.62 175.85 2k0f h ASP 114 N 1.37 0.73 -0.73 3.99 3.32 -2.00 -2.77 116.42 120.33 2k0f h ASP 114 Ca -0.43 -0.73 0.16 0.00 0.02 0.00 0.00 57.03 56.04 2k0f h ASP 114 Cb 1.31 -0.22 -0.11 0.00 0.22 0.00 0.00 39.33 40.54 2k0f h ASP 114 CO 0.73 1.36 0.19 -0.33 -1.72 0.00 0.00 179.24 179.47 2k0f h GLU 115 N 0.17 0.28 -0.20 3.56 3.07 -1.99 -2.14 114.58 117.33 2k0f h GLU 115 Ca -0.09 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 58.61 2k0f h GLU 115 Cb 1.47 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.31 2k0f h GLU 115 CO 0.16 0.19 -0.44 0.93 -1.40 0.00 0.00 179.01 178.44 2k0f h GLU 116 N 0.29 0.65 -0.39 2.33 4.39 -1.91 0.13 114.58 120.07 2k0f h GLU 116 Ca 0.41 -0.43 0.07 0.00 0.34 0.00 0.00 59.36 59.75 2k0f h GLU 116 Cb 0.69 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.34 2k0f h GLU 116 CO -0.49 1.05 0.01 0.28 -1.16 0.00 0.00 179.01 178.70 2k0f h VAL 117 N 0.34 0.72 -0.45 3.13 2.07 -1.46 -0.46 116.25 120.13 2k0f h VAL 117 Ca 0.00 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 2k0f h VAL 117 Cb 1.05 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2k0f h VAL 117 CO 0.10 0.02 0.13 -0.78 0.02 0.00 0.00 177.57 177.06 2k0f h ASP 118 N 0.11 0.67 -0.40 0.57 3.58 -1.25 -2.16 116.42 117.55 2k0f h ASP 118 Ca 0.19 -0.22 -0.08 0.00 0.42 0.00 0.00 57.03 57.35 2k0f h ASP 118 Cb 0.26 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2k0f h ASP 118 CO -0.31 0.71 -0.05 -0.08 -2.88 0.00 0.00 179.24 176.63 2k0f h GLU 119 N 0.60 0.74 -0.41 0.28 4.81 -0.45 -0.36 114.58 119.79 2k0f h GLU 119 Ca 0.15 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2k0f h GLU 119 Cb 0.29 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2k0f h GLU 119 CO -0.00 0.86 0.26 0.52 -0.73 0.00 0.00 179.01 179.91 2k0f h MET 120 N 0.56 0.51 0.40 1.92 2.86 -1.08 -2.03 114.93 118.07 2k0f h MET 120 Ca 0.11 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2k0f h MET 120 Cb 0.56 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 2k0f h MET 120 CO 0.03 0.34 -0.33 0.82 1.06 0.00 0.00 176.91 178.83 2k0f h ILE 121 N 0.53 0.32 -0.69 -1.22 1.08 -1.26 -3.04 117.51 113.22 2k0f h ILE 121 Ca 0.15 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.79 2k0f h ILE 121 Cb -0.03 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 33.99 2k0f h ILE 121 CO -0.05 0.00 0.48 0.03 -0.69 0.00 0.00 178.15 177.92 2k0f h ARG 122 N -0.74 0.21 -0.02 2.37 3.08 -0.84 0.16 114.38 118.60 2k0f h ARG 122 Ca -0.03 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 2k0f h ARG 122 Cb 0.64 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2k0f h ARG 122 CO -0.02 0.14 -0.26 1.49 -1.07 0.00 0.00 179.97 180.24 2k0f h GLU 123 N 0.21 0.22 0.21 0.04 4.81 -1.38 -3.39 114.58 115.31 2k0f h GLU 123 Ca 0.34 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2k0f h GLU 123 Cb 1.02 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2k0f h GLU 123 CO -0.07 0.90 -0.10 0.00 -0.73 0.00 0.00 179.01 179.01 2k0f h ALA 124 N 0.33 -0.77 -2.21 2.92 0.00 -1.31 -3.44 119.26 114.78 2k0f h ALA 124 Ca -0.03 -0.06 -0.75 0.00 0.00 0.00 0.00 54.91 54.07 2k0f h ALA 124 Cb 0.97 0.11 -0.24 0.00 0.00 0.00 0.00 17.79 18.63 2k0f h ALA 124 CO 0.05 -0.75 -0.27 0.34 0.00 0.00 0.00 179.25 178.62 2k0f s ASP 125 N -2.94 6.14 -0.16 0.00 2.15 0.52 -4.90 116.67 117.48 2k0f s ASP 125 Ca -0.04 -1.62 0.17 0.00 0.43 0.00 0.00 52.55 51.49 2k0f s ASP 125 Cb 0.00 -2.19 -0.25 0.00 -0.30 0.00 0.00 42.92 40.19 2k0f s ASP 125 CO 0.12 -0.77 0.21 -0.38 -0.17 0.00 0.00 175.17 174.19 2k0f n ILE 126 N 5.21 1.42 -0.21 4.11 5.41 -1.26 -4.61 119.36 129.43 2k0f n ILE 126 Ca -0.13 -0.84 -0.04 0.00 1.00 0.00 0.00 62.75 62.74 2k0f n ILE 126 Cb 0.41 -0.59 0.02 0.00 -0.71 0.00 0.00 39.64 38.78 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 0.00 -1.07 0.00 4.38 2.03 -1.97 -3.45 116.42 116.34 2k0f h ASP 127 Ca -0.48 0.22 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 2k0f h ASP 127 Cb 2.18 0.55 0.00 0.00 -0.83 0.00 0.00 39.33 41.23 2k0f h ASP 127 CO 0.04 -0.29 0.00 0.61 -1.03 0.00 0.00 179.24 178.57 2k0f n GLY 128 N -1.44 1.40 0.14 7.15 0.00 -1.26 -5.07 105.19 106.11 2k0f n GLY 128 Ca 0.05 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 0.70 0.00 1.61 2.03 -1.90 -3.48 116.42 115.37 2k0f h ASP 129 Ca 0.00 -0.93 0.00 0.00 -0.73 0.00 0.00 57.03 55.37 2k0f h ASP 129 Cb 0.00 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 38.27 2k0f h ASP 129 CO 0.00 1.60 0.00 0.61 -1.03 0.00 0.00 179.24 180.42 2k0f n GLY 130 N 1.71 1.19 3.26 7.15 0.00 -1.26 -5.10 105.19 112.13 2k0f n GLY 130 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.46 1.08 -0.31 1.61 -0.21 -1.26 -4.55 119.66 115.55 2k0f s GLN 131 Ca 0.00 -1.35 -0.03 0.00 0.02 0.00 0.00 55.36 54.00 2k0f s GLN 131 Cb 0.00 -0.85 0.04 0.00 1.00 0.00 0.00 33.01 33.20 2k0f s GLN 131 CO 0.00 0.15 0.03 0.08 -2.12 0.00 0.00 175.29 173.43 2k0f s VAL 132 N -2.60 3.26 0.80 1.09 1.01 -0.97 -4.91 120.40 118.08 2k0f s VAL 132 Ca 0.13 -1.26 -0.10 0.00 0.00 0.00 0.00 61.98 60.75 2k0f s VAL 132 Cb -0.02 -2.84 0.10 0.00 0.00 0.00 0.00 36.38 33.62 2k0f s VAL 132 CO 0.03 -0.10 1.14 0.54 0.00 0.00 0.00 175.10 176.71 2k0f s ASN 133 N 1.31 4.30 0.10 3.32 2.20 -1.26 -1.95 114.94 122.96 2k0f s ASN 133 Ca -0.04 0.48 -0.30 0.00 -0.94 0.00 0.00 52.86 52.06 2k0f s ASN 133 Cb -0.19 -0.92 -0.11 0.00 -2.00 0.00 0.00 41.25 38.02 2k0f s ASN 133 CO 0.00 -1.98 1.49 0.22 -2.94 0.00 0.00 177.10 173.89 2k0f h TYR 134 N -0.99 -1.43 -0.51 1.54 3.20 -1.99 -0.66 116.97 116.12 2k0f h TYR 134 Ca -0.44 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.40 2k0f h TYR 134 Cb 1.30 0.64 -0.02 0.00 1.54 0.00 0.00 36.73 40.19 2k0f h TYR 134 CO -0.03 -0.49 -0.02 0.93 -1.64 0.00 0.00 178.16 176.91 2k0f h GLU 135 N -0.52 0.88 -0.52 1.82 3.07 -1.96 -0.22 114.58 117.12 2k0f h GLU 135 Ca 0.03 -0.26 0.12 0.00 -0.50 0.00 0.00 59.36 58.75 2k0f h GLU 135 Cb 0.60 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.40 2k0f h GLU 135 CO -0.38 0.88 0.36 0.93 -1.40 0.00 0.00 179.01 179.40 2k0f h GLU 136 N 0.81 0.19 0.08 2.33 5.08 -1.92 -2.39 114.58 118.77 2k0f h GLU 136 Ca 0.15 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.32 2k0f h GLU 136 Cb 0.50 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.73 2k0f h GLU 136 CO 0.03 0.13 -0.74 0.35 -1.00 0.00 0.00 179.01 177.77 2k0f h PHE 137 N 0.20 0.59 -0.69 4.33 3.57 0.01 -3.22 116.94 121.73 2k0f h PHE 137 Ca 0.25 -0.38 -0.06 0.00 3.53 0.00 0.00 57.97 61.31 2k0f h PHE 137 Cb 0.71 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 2k0f h PHE 137 CO -0.00 1.25 0.20 0.28 -2.23 0.00 0.00 178.31 177.81 2k0f h VAL 138 N -0.24 1.26 -0.78 1.41 2.07 -0.92 -3.09 116.25 115.96 2k0f h VAL 138 Ca -0.12 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 2k0f h VAL 138 Cb 1.52 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 2k0f h VAL 138 CO 0.14 0.35 0.29 -0.61 0.02 0.00 0.00 177.57 177.76 2k0f h GLN 139 N 1.01 1.18 -0.17 1.57 4.15 -1.50 -1.81 115.11 119.54 2k0f h GLN 139 Ca 0.22 -0.23 0.03 0.00 0.77 0.00 0.00 58.65 59.45 2k0f h GLN 139 Cb 0.32 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 2k0f h GLN 139 CO -0.00 0.97 -0.04 0.52 -1.93 0.00 0.00 178.83 178.34 2k0f h MET 140 N 1.14 -0.00 -0.04 1.69 2.86 -1.55 -3.29 114.93 115.73 2k0f h MET 140 Ca 0.26 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 2k0f h MET 140 Cb 0.25 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 2k0f h MET 140 CO -0.02 -0.00 -0.03 0.52 1.06 0.00 0.00 176.91 178.44 2k0f h MET 141 N -0.01 0.09 0.00 1.72 2.86 -1.38 -3.52 114.93 114.70 2k0f h MET 141 Ca 0.08 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2k0f h MET 141 Cb 0.13 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 2k0f h MET 141 CO -0.17 0.50 0.00 0.25 1.06 0.00 0.00 176.91 178.55