#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 0.00 -0.10 -0.78 4.11 -2.05 -1.90 114.58 113.86 2k0f h GLU 2 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.23 2k0f h GLU 2 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k0f h GLU 2 CO 0.00 0.00 -0.75 0.93 0.07 0.00 0.00 179.01 179.26 2k0f h GLU 3 N 0.00 0.51 0.00 1.06 4.39 -2.05 -0.49 114.58 118.00 2k0f h GLU 3 Ca 0.54 -0.42 -0.15 0.00 0.34 0.00 0.00 59.36 59.66 2k0f h GLU 3 Cb 2.25 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.97 2k0f h GLU 3 CO -0.01 1.05 -0.73 1.96 -1.16 0.00 0.00 179.01 180.12 2k0f h GLN 4 N 0.35 0.00 0.08 2.33 4.20 -1.79 -2.29 115.11 117.98 2k0f h GLN 4 Ca -0.04 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2k0f h GLN 4 Cb 1.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.12 2k0f h GLN 4 CO 0.14 0.73 -0.04 0.82 -0.67 0.00 0.00 178.83 179.81 2k0f h ILE 5 N 0.00 1.17 -0.98 2.54 1.08 -1.32 -0.98 117.51 119.03 2k0f h ILE 5 Ca -0.01 -0.93 0.19 0.00 -0.39 0.00 0.00 64.86 63.72 2k0f h ILE 5 Cb 1.48 1.77 -0.09 0.00 -3.07 0.00 0.00 36.82 36.90 2k0f h ILE 5 CO 0.10 0.23 0.61 0.00 -0.69 0.00 0.00 178.15 178.40 2k0f h ALA 6 N 0.34 1.84 -0.34 1.87 0.00 -1.05 0.68 119.26 122.59 2k0f h ALA 6 Ca -0.01 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2k0f h ALA 6 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2k0f h ALA 6 CO 0.02 -0.18 -0.32 0.93 0.00 0.00 0.00 179.25 179.69 2k0f h GLU 7 N 0.66 0.82 -0.07 0.00 5.08 -1.49 -2.97 114.58 116.63 2k0f h GLU 7 Ca 0.54 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2k0f h GLU 7 Cb 0.98 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2k0f h GLU 7 CO -0.31 1.06 -0.14 0.35 -1.00 0.00 0.00 179.01 178.97 2k0f h PHE 8 N 0.61 0.10 -0.15 4.33 3.57 0.10 -2.92 116.94 122.57 2k0f h PHE 8 Ca 0.06 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 2k0f h PHE 8 Cb 0.90 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 2k0f h PHE 8 CO 0.07 0.24 -0.19 -0.22 -2.23 0.00 0.00 178.31 175.97 2k0f h LYS 9 N 0.10 0.26 -0.32 1.11 1.63 -0.92 0.36 116.57 118.78 2k0f h LYS 9 Ca 0.02 -0.07 -0.09 0.00 -0.85 0.00 0.00 60.65 59.65 2k0f h LYS 9 Cb 0.31 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 2k0f h LYS 9 CO 0.02 0.45 -0.19 0.93 -3.45 0.00 0.00 179.45 177.21 2k0f h GLU 10 N 0.24 0.59 0.00 1.90 4.39 -1.35 -2.06 114.58 118.29 2k0f h GLU 10 Ca 0.04 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 2k0f h GLU 10 Cb 0.49 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2k0f h GLU 10 CO 0.03 0.75 -0.42 0.00 -1.16 0.00 0.00 179.01 178.22 2k0f h ALA 11 N 1.26 0.92 0.14 3.43 0.00 -1.10 -2.52 119.26 121.39 2k0f h ALA 11 Ca 0.08 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.63 2k0f h ALA 11 Cb 0.63 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2k0f h ALA 11 CO 0.04 0.53 -0.26 0.35 0.00 0.00 0.00 179.25 179.91 2k0f h PHE 12 N 0.00 -0.70 0.00 0.00 3.04 -0.90 -3.22 116.94 115.16 2k0f h PHE 12 Ca -0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 2k0f h PHE 12 Cb 1.01 0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.81 2k0f h PHE 12 CO 0.00 -0.37 0.00 0.45 -2.02 0.00 0.00 178.31 176.37 2k0f n SER 13 N -5.38 0.00 -0.06 0.41 2.88 -0.78 -0.75 113.62 109.94 2k0f n SER 13 Ca -0.07 0.47 -0.14 0.00 -1.33 0.00 0.00 58.87 57.80 2k0f n SER 13 Cb 0.29 -0.48 -0.02 0.00 -0.75 0.00 0.00 64.21 63.25 2k0f n SER 13 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2k0f h LEU 14 N 0.00 0.90 0.17 2.46 7.12 -1.49 -3.33 115.31 121.14 2k0f h LEU 14 Ca 0.00 -0.49 -0.24 0.00 0.13 0.00 0.00 57.88 57.29 2k0f h LEU 14 Cb 0.06 -0.26 0.03 0.00 -0.53 0.00 0.00 40.66 39.95 2k0f h LEU 14 CO 0.00 1.27 -1.04 -0.26 -0.13 0.00 0.00 178.44 178.28 2k0f h PHE 15 N 0.61 0.67 -2.59 1.25 0.04 -1.33 -3.43 116.94 112.16 2k0f h PHE 15 Ca 0.01 -0.49 -0.63 0.00 2.80 0.00 0.00 57.97 59.66 2k0f h PHE 15 Cb 1.16 -0.03 -0.14 0.00 2.20 0.00 0.00 35.95 39.14 2k0f h PHE 15 CO 0.07 1.40 0.60 0.34 -0.60 0.00 0.00 178.31 180.12 2k0f s ASP 16 N -7.15 6.22 0.44 2.17 2.15 0.08 -4.68 116.67 115.89 2k0f s ASP 16 Ca -0.13 -1.07 0.23 0.00 0.43 0.00 0.00 52.55 52.02 2k0f s ASP 16 Cb 0.02 -2.42 0.38 0.00 -0.30 0.00 0.00 42.92 40.60 2k0f s ASP 16 CO 0.86 -1.43 1.62 0.11 -0.17 0.00 0.00 175.17 176.17 2k0f h LYS 17 N 9.53 0.00 0.00 4.34 1.79 -1.83 -3.21 116.57 127.19 2k0f h LYS 17 Ca -0.24 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.22 2k0f h LYS 17 Cb 1.06 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.71 2k0f h LYS 17 CO 1.18 0.00 -0.20 -0.44 -1.08 0.00 0.00 179.45 178.91 2k0f h ASP 18 N 0.00 0.00 0.00 0.86 3.32 -1.91 -3.49 116.42 115.20 2k0f h ASP 18 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2k0f h ASP 18 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 2k0f h ASP 18 CO 0.00 0.62 0.00 0.61 -1.72 0.00 0.00 179.24 178.75 2k0f n GLY 19 N 1.71 1.67 0.07 2.75 0.00 -1.21 -5.01 105.19 105.16 2k0f n GLY 19 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.02 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 0.00 0.33 0.00 1.61 5.75 -1.26 -5.01 116.55 117.98 2k0f n ASP 20 Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 2k0f n ASP 20 Cb 0.00 1.10 0.00 0.00 -1.03 0.00 0.00 41.12 41.19 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 1.39 0.72 3.56 6.12 0.00 -1.26 -5.09 105.19 110.63 2k0f n GLY 21 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 3.48 -0.13 2.61 -4.23 -1.26 -3.37 115.64 110.73 2k0f s THR 22 Ca 0.00 -0.73 -0.00 0.00 -1.18 0.00 0.00 61.69 59.78 2k0f s THR 22 Cb 0.00 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 71.37 2k0f s THR 22 CO 0.00 0.48 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.80 2k0f s ILE 23 N -0.90 3.07 0.04 2.99 1.01 -0.78 -4.86 121.20 121.78 2k0f s ILE 23 Ca 0.15 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2k0f s ILE 23 Cb -0.11 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.07 2k0f s ILE 23 CO 0.04 0.52 0.04 0.35 0.00 0.00 0.00 174.94 175.89 2k0f n THR 24 N 3.59 0.00 -0.16 2.92 -2.24 -1.26 -1.59 114.28 115.53 2k0f n THR 24 Ca -0.18 -0.16 0.06 0.00 -2.27 0.00 0.00 64.05 61.50 2k0f n THR 24 Cb 0.53 -0.61 0.37 0.00 -2.10 0.00 0.00 70.33 68.51 2k0f n THR 24 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2k0f h THR 25 N 0.36 1.03 0.01 4.28 2.02 -1.93 -2.31 112.91 116.36 2k0f h THR 25 Ca -0.02 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2k0f h THR 25 Cb 0.10 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 2k0f h THR 25 CO 0.04 0.13 -0.01 0.11 0.37 0.00 0.00 175.52 176.16 2k0f h LYS 26 N 0.72 -0.01 -0.17 6.66 1.57 -1.98 -2.81 116.57 120.54 2k0f h LYS 26 Ca 0.29 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.12 2k0f h LYS 26 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2k0f h LYS 26 CO -0.09 -0.01 0.17 0.93 -0.57 0.00 0.00 179.45 179.88 2k0f h GLU 27 N -0.92 0.00 0.23 3.15 5.08 -1.86 -0.43 114.58 119.83 2k0f h GLU 27 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2k0f h GLU 27 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2k0f h GLU 27 CO 0.00 0.00 -0.11 1.25 -1.00 0.00 0.00 179.01 179.15 2k0f h LEU 28 N 0.00 -0.26 -0.17 1.33 5.85 -1.54 -3.32 115.31 117.20 2k0f h LEU 28 Ca 0.08 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.57 2k0f h LEU 28 Cb 0.43 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 2k0f h LEU 28 CO -0.00 0.22 -0.07 1.23 -0.34 0.00 0.00 178.44 179.48 2k0f h GLY 29 N -0.83 0.10 -0.09 3.75 0.00 -0.87 -2.95 103.07 102.17 2k0f h GLY 29 Ca -0.03 0.08 0.13 0.00 0.00 0.00 0.00 47.33 47.52 2k0f h GLY 29 CO 0.05 -0.09 0.01 -0.84 0.00 0.00 0.00 176.54 175.67 2k0f h THR 30 N -0.04 0.48 -0.37 4.70 2.02 -1.29 -0.40 112.91 118.00 2k0f h THR 30 Ca 0.09 -0.04 -0.12 0.00 0.77 0.00 0.00 66.41 67.10 2k0f h THR 30 Cb 0.17 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2k0f h THR 30 CO -0.20 0.02 -0.25 0.58 0.37 0.00 0.00 175.52 176.04 2k0f h VAL 31 N 0.12 1.28 0.01 3.16 2.07 -1.62 -2.41 116.25 118.87 2k0f h VAL 31 Ca 0.33 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 2k0f h VAL 31 Cb 0.55 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2k0f h VAL 31 CO -0.54 0.47 -0.00 0.24 0.02 0.00 0.00 177.57 177.75 2k0f h MET 32 N 0.63 -0.01 0.00 1.57 2.86 -1.24 -2.52 114.93 116.21 2k0f h MET 32 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2k0f h MET 32 Cb 0.82 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.48 2k0f h MET 32 CO 0.07 0.16 0.00 0.07 1.06 0.00 0.00 176.91 178.27 2k0f h ARG 33 N -0.18 0.00 0.18 1.72 0.11 -1.09 -0.20 114.38 114.92 2k0f h ARG 33 Ca -0.00 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.77 2k0f h ARG 33 Cb 0.18 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.27 2k0f h ARG 33 CO 0.00 0.00 -1.46 0.77 0.10 0.00 0.00 179.97 179.38 2k0f h SER 34 N 0.00 0.60 0.45 0.08 0.02 -1.34 -3.29 113.55 110.06 2k0f h SER 34 Ca 0.00 -0.92 -0.28 0.00 -0.84 0.00 0.00 61.79 59.75 2k0f h SER 34 Cb 0.42 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.77 2k0f h SER 34 CO 0.00 1.67 -1.23 -0.07 -1.14 0.00 0.00 176.83 176.07 2k0f h LEU 35 N -0.06 0.57 0.00 5.07 3.38 -1.38 -3.48 115.31 119.42 2k0f h LEU 35 Ca -0.28 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.12 2k0f h LEU 35 Cb 1.97 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2k0f h LEU 35 CO 0.17 1.42 0.00 0.61 0.09 0.00 0.00 178.44 180.73 2k0f n GLY 36 N 1.43 -1.58 3.61 0.83 0.00 -0.15 -5.10 105.19 104.22 2k0f n GLY 36 Ca -0.10 0.53 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 4.03 -0.42 1.61 -0.21 -0.83 -4.55 119.66 119.29 2k0f s GLN 37 Ca 0.00 0.26 -0.18 0.00 0.02 0.00 0.00 55.36 55.47 2k0f s GLN 37 Cb 0.00 -3.66 0.02 0.00 1.00 0.00 0.00 33.01 30.37 2k0f s GLN 37 CO 0.00 -0.37 0.46 1.21 -2.12 0.00 0.00 175.29 174.47 2k0f s ASN 38 N 1.57 6.21 1.14 5.90 2.47 -1.26 -3.34 114.94 127.64 2k0f s ASN 38 Ca 0.21 -0.60 -0.19 0.00 0.42 0.00 0.00 52.86 52.70 2k0f s ASN 38 Cb -0.16 -2.24 0.27 0.00 -1.45 0.00 0.00 41.25 37.68 2k0f s ASN 38 CO 0.10 -0.60 1.21 -0.81 -3.72 0.00 0.00 177.10 173.28 2k0f n PRO 39 N 5.68 -2.33 -2.66 0.43 -0.04 -1.26 -5.03 135.00 129.80 2k0f n PRO 39 Ca -0.07 -1.90 -0.35 0.00 -0.04 0.00 0.00 63.50 61.15 2k0f n PRO 39 Cb 0.48 -1.53 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 2k0f n PRO 39 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2k0f s THR 40 N -3.41 4.02 0.38 0.52 -4.23 -1.26 -4.99 115.64 106.67 2k0f s THR 40 Ca 0.73 1.37 0.11 0.00 -1.18 0.00 0.00 61.69 62.73 2k0f s THR 40 Cb -0.05 -3.62 0.11 0.00 1.34 0.00 0.00 72.50 70.29 2k0f s THR 40 CO 0.54 -0.16 1.86 -0.33 -0.54 0.00 0.00 174.62 175.98 2k0f h GLU 41 N 2.09 0.09 -0.23 3.99 5.08 -1.97 -2.94 114.58 120.69 2k0f h GLU 41 Ca -0.49 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 57.80 2k0f h GLU 41 Cb 1.20 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2k0f h GLU 41 CO 0.61 0.38 -0.07 0.00 -1.00 0.00 0.00 179.01 178.93 2k0f h ALA 42 N 1.63 1.47 0.39 3.43 0.00 -1.98 -1.14 119.26 123.06 2k0f h ALA 42 Ca 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2k0f h ALA 42 Cb 0.56 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2k0f h ALA 42 CO 0.04 0.37 -0.19 1.49 0.00 0.00 0.00 179.25 180.97 2k0f h GLU 43 N 0.34 -0.50 -0.54 0.00 4.81 -1.92 -0.31 114.58 116.45 2k0f h GLU 43 Ca 0.07 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2k0f h GLU 43 Cb 0.34 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 2k0f h GLU 43 CO 0.02 -0.22 0.36 -0.07 -0.73 0.00 0.00 179.01 178.37 2k0f h LEU 44 N -0.75 0.59 -0.47 1.64 3.38 -1.50 0.19 115.31 118.38 2k0f h LEU 44 Ca -0.05 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2k0f h LEU 44 Cb 0.51 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2k0f h LEU 44 CO 0.09 0.42 0.14 -0.61 0.09 0.00 0.00 178.44 178.57 2k0f h GLN 45 N 0.70 0.74 0.22 1.13 4.15 -1.11 -0.72 115.11 120.22 2k0f h GLN 45 Ca 0.21 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2k0f h GLN 45 Cb -0.02 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.57 2k0f h GLN 45 CO -0.05 0.71 -0.11 0.22 -1.93 0.00 0.00 178.83 177.67 2k0f h ASP 46 N 0.63 -0.25 -0.60 -0.69 3.58 -0.40 -1.33 116.42 117.36 2k0f h ASP 46 Ca 0.15 -0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.58 2k0f h ASP 46 Cb 0.28 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.35 2k0f h ASP 46 CO -0.00 -0.08 0.32 -0.03 -2.88 0.00 0.00 179.24 176.57 2k0f h MET 47 N -0.42 0.58 0.21 0.28 4.05 -0.66 0.01 114.93 118.99 2k0f h MET 47 Ca -0.03 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.34 2k0f h MET 47 Cb 0.32 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 2k0f h MET 47 CO 0.05 0.38 -0.10 0.82 0.23 0.00 0.00 176.91 178.29 2k0f h ILE 48 N 0.60 0.81 -1.04 1.77 2.04 -1.14 -3.29 117.51 117.25 2k0f h ILE 48 Ca 0.27 -0.90 0.30 0.00 1.00 0.00 0.00 64.86 65.53 2k0f h ILE 48 Cb 0.17 1.27 -0.13 0.00 -0.74 0.00 0.00 36.82 37.39 2k0f h ILE 48 CO -0.18 0.18 0.63 0.78 0.00 0.00 0.00 178.15 179.56 2k0f h ASN 49 N -0.79 0.52 -0.48 1.72 4.21 -1.03 -1.22 115.58 118.51 2k0f h ASN 49 Ca -0.03 0.15 0.08 0.00 1.21 0.00 0.00 56.30 57.70 2k0f h ASN 49 Cb 0.51 0.08 -0.10 0.00 -1.12 0.00 0.00 38.32 37.69 2k0f h ASN 49 CO 0.05 -0.02 -0.43 -0.08 -1.29 0.00 0.00 177.43 175.65 2k0f h GLU 50 N 0.39 -0.28 0.00 0.81 4.81 -1.08 -3.16 114.58 116.08 2k0f h GLU 50 Ca 0.69 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.94 2k0f h GLU 50 Cb 1.60 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.04 2k0f h GLU 50 CO -0.48 -0.18 -0.61 -0.39 -0.73 0.00 0.00 179.01 176.61 2k0f h VAL 51 N -0.29 0.00 -2.86 0.32 -1.51 -1.31 -3.47 116.25 107.12 2k0f h VAL 51 Ca 0.15 -0.83 -0.56 0.00 -1.23 0.00 0.00 66.70 64.23 2k0f h VAL 51 Cb 0.57 1.49 -0.03 0.00 -2.13 0.00 0.00 31.29 31.20 2k0f h VAL 51 CO -0.62 0.00 1.07 -0.62 -1.23 0.00 0.00 177.57 176.17 2k0f s ASP 52 N -5.19 6.50 0.02 4.19 -1.08 -0.87 -4.94 116.67 115.31 2k0f s ASP 52 Ca 0.04 1.56 -0.14 0.00 -0.52 0.00 0.00 52.55 53.48 2k0f s ASP 52 Cb 0.10 -2.53 -0.08 0.00 -1.46 0.00 0.00 42.92 38.94 2k0f s ASP 52 CO 0.73 -1.16 1.21 0.00 0.52 0.00 0.00 175.17 176.47 2k0f h ALA 53 N 10.14 -1.14 0.00 3.66 0.00 -1.92 -3.29 119.26 126.72 2k0f h ALA 53 Ca -0.32 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2k0f h ALA 53 Cb 1.14 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2k0f h ALA 53 CO 1.00 -1.10 0.00 0.38 0.00 0.00 0.00 179.25 179.54 2k0f h ASP 54 N -0.52 0.00 0.00 0.00 3.04 -1.97 -3.46 116.42 113.50 2k0f h ASP 54 Ca -0.05 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.74 2k0f h ASP 54 Cb 0.40 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.69 2k0f h ASP 54 CO 0.09 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.90 2k0f n GLY 55 N -0.75 0.71 0.09 7.15 0.00 -1.24 -4.96 105.19 106.20 2k0f n GLY 55 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 0.18 0.00 1.61 7.08 -1.90 -3.48 115.58 119.08 2k0f h ASN 56 Ca 0.00 -0.09 0.00 0.00 -3.08 0.00 0.00 56.30 53.13 2k0f h ASN 56 Cb 0.00 -0.05 0.00 0.00 -2.08 0.00 0.00 38.32 36.19 2k0f h ASN 56 CO 0.00 0.22 0.00 0.61 -2.08 0.00 0.00 177.43 176.18 2k0f n GLY 57 N -0.91 0.98 3.68 9.14 0.00 -1.26 -5.05 105.19 111.77 2k0f n GLY 57 Ca -0.05 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 3.94 -0.29 2.61 -4.23 -1.26 -4.65 115.64 109.76 2k0f s THR 58 Ca 0.00 -1.03 -0.18 0.00 -1.18 0.00 0.00 61.69 59.31 2k0f s THR 58 Cb 0.00 -2.88 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 2k0f s THR 58 CO 0.00 0.11 0.50 -0.51 -0.54 0.00 0.00 174.62 174.19 2k0f s ILE 59 N -1.31 5.06 0.87 2.99 2.07 -0.62 -4.88 121.20 125.38 2k0f s ILE 59 Ca 0.25 0.68 -0.10 0.00 -1.41 0.00 0.00 60.65 60.07 2k0f s ILE 59 Cb -0.12 -3.86 0.19 0.00 0.13 0.00 0.00 42.46 38.80 2k0f s ILE 59 CO 0.18 -0.01 1.19 0.47 -1.91 0.00 0.00 174.94 174.86 2k0f n ASP 60 N 5.60 0.59 0.04 4.50 9.92 -1.26 -1.86 116.55 134.08 2k0f n ASP 60 Ca -0.05 -1.74 -0.11 0.00 -0.53 0.00 0.00 54.79 52.37 2k0f n ASP 60 Cb 0.50 -0.87 -0.05 0.00 -0.64 0.00 0.00 41.12 40.06 2k0f n ASP 60 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2k0f h PHE 61 N -1.31 -0.30 0.00 1.24 3.57 -1.96 -0.16 116.94 118.03 2k0f h PHE 61 Ca -0.39 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.12 2k0f h PHE 61 Cb 1.19 0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2k0f h PHE 61 CO 0.00 -0.18 0.00 -1.00 -2.23 0.00 0.00 178.31 174.90 2k0f h PRO 62 N -0.19 0.00 0.01 6.41 0.13 -1.95 -2.30 132.00 134.11 2k0f h PRO 62 Ca 0.05 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.12 2k0f h PRO 62 Cb 0.26 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.39 2k0f h PRO 62 CO -0.13 0.00 -0.24 0.93 -0.23 0.00 0.00 178.00 178.33 2k0f h GLU 63 N 0.00 0.15 -0.66 0.86 5.08 -1.84 -1.79 114.58 116.39 2k0f h GLU 63 Ca 0.00 -0.17 0.08 0.00 -1.00 0.00 0.00 59.36 58.27 2k0f h GLU 63 Cb 0.51 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.71 2k0f h GLU 63 CO 0.00 0.94 -0.53 0.35 -1.00 0.00 0.00 179.01 178.76 2k0f h PHE 64 N -0.57 -1.65 0.00 4.33 3.04 -1.06 -0.02 116.94 121.01 2k0f h PHE 64 Ca -0.03 0.10 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 2k0f h PHE 64 Cb 1.03 0.81 -0.00 0.00 2.56 0.00 0.00 35.95 40.34 2k0f h PHE 64 CO 0.19 -0.44 -0.10 -0.07 -2.02 0.00 0.00 178.31 175.88 2k0f h LEU 65 N -0.22 0.00 0.16 0.59 3.38 -1.47 -1.72 115.31 116.03 2k0f h LEU 65 Ca 0.14 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.79 2k0f h LEU 65 Cb 0.53 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.32 2k0f h LEU 65 CO -0.74 0.10 -1.33 0.74 0.09 0.00 0.00 178.44 177.30 2k0f h THR 66 N 0.00 1.28 0.24 0.22 2.02 -0.79 -3.36 112.91 112.51 2k0f h THR 66 Ca -0.00 -2.53 -0.01 0.00 0.77 0.00 0.00 66.41 64.63 2k0f h THR 66 Cb 0.21 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 2k0f h THR 66 CO 0.01 0.77 -0.11 -0.03 0.37 0.00 0.00 175.52 176.53 2k0f h MET 67 N 0.24 -0.31 -0.00 6.66 -1.53 -0.58 -3.19 114.93 116.21 2k0f h MET 67 Ca -0.21 0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.07 2k0f h MET 67 Cb 2.00 0.07 0.00 0.00 -0.55 0.00 0.00 31.60 33.12 2k0f h MET 67 CO 0.25 -0.21 -0.00 -1.33 0.14 0.00 0.00 176.91 175.77 2k0f n MET 68 N -4.85 0.93 -0.11 0.39 2.81 -0.68 -1.61 117.12 113.99 2k0f n MET 68 Ca -0.04 -0.01 0.03 0.00 -1.81 0.00 0.00 57.70 55.87 2k0f n MET 68 Cb 0.13 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.18 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 -1.03 1.89 -1.84 3.04 0.00 -1.26 -5.06 120.51 116.25 2k0f n ALA 69 Ca 0.23 -1.40 -0.42 0.00 0.00 0.00 0.00 53.44 51.85 2k0f n ALA 69 Cb 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.19 4.18 0.28 0.00 3.52 -0.63 -4.97 118.95 120.13 2k0f s ARG 70 Ca 0.10 2.46 -0.29 0.00 -0.13 0.00 0.00 55.73 57.87 2k0f s ARG 70 Cb 0.09 -3.10 -0.09 0.00 -1.56 0.00 0.00 34.95 30.28 2k0f s ARG 70 CO 0.01 -0.63 1.00 0.15 -0.81 0.00 0.00 175.30 175.02 2k0f s LYS 71 N 0.70 4.69 0.00 5.12 1.02 -1.26 -5.04 119.74 124.96 2k0f s LYS 71 Ca 0.69 1.57 0.00 0.00 0.02 0.00 0.00 55.97 58.25 2k0f s LYS 71 Cb -0.46 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 33.73 2k0f s LYS 71 CO 0.36 0.33 0.00 -1.33 -0.92 0.00 0.00 175.35 173.79 2k0f n MET 72 N 1.13 3.22 -3.94 1.68 2.81 -1.26 -5.13 117.12 115.62 2k0f n MET 72 Ca -0.01 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.56 2k0f n MET 72 Cb 0.47 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.93 2k0f n MET 72 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2k0f s LYS 73 N 1.14 3.35 0.03 0.03 -2.85 -1.26 -4.95 119.74 115.22 2k0f s LYS 73 Ca 0.00 -0.41 0.14 0.00 -1.00 0.00 0.00 55.97 54.70 2k0f s LYS 73 Cb 0.00 -3.02 0.61 0.00 -2.06 0.00 0.00 37.83 33.36 2k0f s LYS 73 CO 0.00 0.64 1.45 -0.25 0.10 0.00 0.00 175.35 177.29 2k0f n ASP 74 N 0.69 0.07 -0.04 0.03 8.00 -1.26 -0.89 116.55 123.15 2k0f n ASP 74 Ca -0.09 0.52 -0.11 0.00 0.71 0.00 0.00 54.79 55.82 2k0f n ASP 74 Cb 0.52 -0.53 -0.05 0.00 -0.02 0.00 0.00 41.12 41.04 2k0f n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2k0f h THR 75 N 0.00 1.15 -0.58 -3.53 1.35 -1.99 -2.66 112.91 106.66 2k0f h THR 75 Ca 0.00 -0.46 -0.05 0.00 -0.55 0.00 0.00 66.41 65.35 2k0f h THR 75 Cb 0.24 1.15 -0.03 0.00 -1.73 0.00 0.00 68.15 67.78 2k0f h THR 75 CO 0.00 0.15 0.17 0.44 -0.25 0.00 0.00 175.52 176.03 2k0f h ASP 76 N 0.12 0.81 1.70 5.36 3.32 -1.42 -2.08 116.42 124.23 2k0f h ASP 76 Ca 0.06 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 2k0f h ASP 76 Cb 0.17 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 2k0f h ASP 76 CO -0.00 0.77 -0.31 0.28 -1.72 0.00 0.00 179.24 178.26 2k0f h SER 77 N 0.85 0.00 0.02 6.45 0.02 -1.58 0.19 113.55 119.49 2k0f h SER 77 Ca 0.19 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2k0f h SER 77 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2k0f h SER 77 CO -0.01 0.06 -0.01 -0.08 -1.14 0.00 0.00 176.83 175.66 2k0f h GLU 78 N 0.00 -0.02 0.00 3.45 4.57 -1.44 -3.34 114.58 117.80 2k0f h GLU 78 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2k0f h GLU 78 Cb 1.05 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.64 2k0f h GLU 78 CO 0.01 0.75 -0.05 1.49 -1.18 0.00 0.00 179.01 180.02 2k0f h GLU 79 N -0.93 0.00 -0.65 1.92 4.81 -1.25 -2.30 114.58 116.17 2k0f h GLU 79 Ca -0.00 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.37 2k0f h GLU 79 Cb 0.77 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.05 2k0f h GLU 79 CO 0.00 0.05 0.06 1.49 -0.73 0.00 0.00 179.01 179.88 2k0f h GLU 80 N 0.00 0.16 0.10 1.92 4.81 -0.75 -0.23 114.58 120.59 2k0f h GLU 80 Ca -0.00 -0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 58.94 2k0f h GLU 80 Cb 0.10 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2k0f h GLU 80 CO 0.01 0.11 -1.36 0.82 -0.73 0.00 0.00 179.01 177.85 2k0f h ILE 81 N 0.17 1.35 0.24 2.32 1.08 -1.65 -2.19 117.51 118.82 2k0f h ILE 81 Ca 0.35 -2.98 -0.01 0.00 -0.39 0.00 0.00 64.86 61.83 2k0f h ILE 81 Cb 0.58 2.83 0.00 0.00 -3.07 0.00 0.00 36.82 37.16 2k0f h ILE 81 CO -0.52 0.85 -0.11 0.03 -0.69 0.00 0.00 178.15 177.70 2k0f h ARG 82 N 0.06 -0.31 0.00 2.37 2.47 -1.18 -0.42 114.38 117.37 2k0f h ARG 82 Ca -0.17 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.53 2k0f h ARG 82 Cb 1.97 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 30.35 2k0f h ARG 82 CO 0.17 -0.12 -0.17 0.93 0.56 0.00 0.00 179.97 181.34 2k0f h GLU 83 N -0.43 0.00 -0.19 0.04 4.39 -1.12 -0.21 114.58 117.06 2k0f h GLU 83 Ca -0.03 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 2k0f h GLU 83 Cb 0.33 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2k0f h GLU 83 CO 0.05 0.17 -0.12 0.00 -1.16 0.00 0.00 179.01 177.95 2k0f h ALA 84 N 1.83 1.46 0.06 3.43 0.00 -0.68 -2.91 119.26 122.45 2k0f h ALA 84 Ca -0.00 -0.21 -0.28 0.00 0.00 0.00 0.00 54.91 54.41 2k0f h ALA 84 Cb 0.36 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.08 2k0f h ALA 84 CO 0.02 0.38 -1.14 0.35 0.00 0.00 0.00 179.25 178.86 2k0f h PHE 85 N 0.29 1.03 0.00 0.00 3.57 -0.19 -3.32 116.94 118.32 2k0f h PHE 85 Ca 0.06 -0.60 0.00 0.00 3.53 0.00 0.00 57.97 60.96 2k0f h PHE 85 Cb 0.38 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.02 2k0f h PHE 85 CO 0.01 1.44 0.00 0.54 -2.23 0.00 0.00 178.31 178.07 2k0f n ARG 86 N -3.82 0.13 0.12 1.11 1.74 -0.18 -0.83 116.66 114.93 2k0f n ARG 86 Ca -0.12 0.43 -0.03 0.00 -0.77 0.00 0.00 57.85 57.36 2k0f n ARG 86 Cb 0.93 -1.78 0.14 0.00 -1.02 0.00 0.00 32.46 30.73 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k0f h VAL 87 N 0.00 1.44 0.11 1.55 2.07 -1.63 -3.37 116.25 116.41 2k0f h VAL 87 Ca 0.00 -2.14 -0.01 0.00 0.82 0.00 0.00 66.70 65.37 2k0f h VAL 87 Cb 0.25 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2k0f h VAL 87 CO 0.00 0.62 -0.05 -0.26 0.02 0.00 0.00 177.57 177.90 2k0f h PHE 88 N 0.06 -0.14 -2.46 1.57 0.04 -1.17 -3.45 116.94 111.40 2k0f h PHE 88 Ca -0.01 -0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.19 2k0f h PHE 88 Cb 1.14 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.32 2k0f h PHE 88 CO 0.01 -0.08 1.27 0.34 -0.60 0.00 0.00 178.31 179.25 2k0f s ASP 89 N -4.15 6.05 -0.21 2.17 2.15 -1.11 -4.76 116.67 116.82 2k0f s ASP 89 Ca -0.02 1.85 -0.16 0.00 0.43 0.00 0.00 52.55 54.65 2k0f s ASP 89 Cb 0.00 -2.52 -0.09 0.00 -0.30 0.00 0.00 42.92 40.01 2k0f s ASP 89 CO 0.06 -1.49 -0.24 1.17 -0.17 0.00 0.00 175.17 174.50 2k0f n LYS 90 N 8.07 0.54 0.26 4.34 3.00 -1.26 -4.75 118.16 128.35 2k0f n LYS 90 Ca 0.23 0.34 -0.10 0.00 -0.00 0.00 0.00 58.31 58.77 2k0f n LYS 90 Cb 0.45 -1.54 -0.05 0.00 0.00 0.00 0.00 35.03 33.89 2k0f n LYS 90 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2k0f h ASP 91 N -1.00 -0.56 0.00 3.14 3.04 -1.94 -3.48 116.42 115.62 2k0f h ASP 91 Ca -0.26 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.55 2k0f h ASP 91 Cb 1.14 0.14 0.00 0.00 -1.04 0.00 0.00 39.33 39.57 2k0f h ASP 91 CO -0.16 -0.38 0.00 0.61 -2.04 0.00 0.00 179.24 177.27 2k0f n GLY 92 N -1.12 -0.14 0.11 7.15 0.00 -1.26 -5.04 105.19 104.90 2k0f n GLY 92 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.96 -3.48 115.58 110.68 2k0f h ASN 93 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.35 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 1.29 0.52 3.66 9.14 0.00 -1.26 -5.04 105.19 113.51 2k0f n GLY 94 Ca 0.05 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 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 2.78 -0.24 1.61 2.02 -1.26 -4.31 117.35 115.95 2k0f s TYR 95 Ca 0.00 -0.18 -0.07 0.00 -0.37 0.00 0.00 57.07 56.45 2k0f s TYR 95 Cb 0.00 -1.30 -0.03 0.00 -0.40 0.00 0.00 41.96 40.23 2k0f s TYR 95 CO 0.00 0.56 0.07 0.42 -1.57 0.00 0.00 175.55 175.03 2k0f s ILE 96 N -1.99 4.42 0.36 2.71 1.01 -0.83 -4.75 121.20 122.13 2k0f s ILE 96 Ca 0.29 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.81 2k0f s ILE 96 Cb -0.08 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 2k0f s ILE 96 CO 0.19 0.36 0.56 -0.94 0.00 0.00 0.00 174.94 175.11 2k0f s SER 97 N 1.39 6.23 0.58 3.58 1.04 -1.26 -3.96 113.70 121.31 2k0f s SER 97 Ca 0.05 0.42 0.35 0.00 0.48 0.00 0.00 55.95 57.25 2k0f s SER 97 Cb -0.15 -1.96 1.72 0.00 0.10 0.00 0.00 66.02 65.73 2k0f s SER 97 CO 0.04 -0.35 2.13 0.00 0.98 0.00 0.00 173.24 176.04 2k0f h ALA 98 N 0.71 1.09 -0.05 5.32 0.00 -1.99 -0.43 119.26 123.91 2k0f h ALA 98 Ca -0.49 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2k0f h ALA 98 Cb 1.22 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k0f h ALA 98 CO 0.61 0.06 0.02 0.00 0.00 0.00 0.00 179.25 179.93 2k0f h ALA 99 N 1.96 0.06 0.00 0.00 0.00 -1.99 0.09 119.26 119.38 2k0f h ALA 99 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2k0f h ALA 99 Cb 0.30 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2k0f h ALA 99 CO 0.01 -0.33 -0.08 0.93 0.00 0.00 0.00 179.25 179.78 2k0f h GLU 100 N -0.12 0.00 0.31 0.00 5.08 -1.51 -1.85 114.58 116.48 2k0f h GLU 100 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 100 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2k0f h GLU 100 CO -0.00 0.08 -0.15 1.25 -1.00 0.00 0.00 179.01 179.19 2k0f h LEU 101 N 0.00 -0.35 -0.96 1.33 5.85 -0.62 -3.20 115.31 117.37 2k0f h LEU 101 Ca -0.00 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 2k0f h LEU 101 Cb 0.68 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2k0f h LEU 101 CO 0.01 0.02 -0.42 -0.09 -0.34 0.00 0.00 178.44 177.62 2k0f h ARG 102 N -0.95 0.20 -0.92 1.25 2.43 -1.00 -0.06 114.38 115.33 2k0f h ARG 102 Ca -0.04 -0.10 0.16 0.00 -0.81 0.00 0.00 59.98 59.19 2k0f h ARG 102 Cb 0.31 -0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 29.70 2k0f h ARG 102 CO 0.07 0.60 -0.33 1.25 -1.51 0.00 0.00 179.97 180.05 2k0f h HIS 103 N 0.17 -0.86 -0.10 2.20 2.76 -1.48 0.78 115.15 118.62 2k0f h HIS 103 Ca 0.01 0.09 -0.20 0.00 -2.20 0.00 0.00 60.37 58.08 2k0f h HIS 103 Cb 0.82 0.52 0.01 0.00 1.55 0.00 0.00 27.41 30.31 2k0f h HIS 103 CO 0.01 -0.40 -0.70 0.28 -1.30 0.00 0.00 177.93 175.82 2k0f h VAL 104 N -0.02 1.32 -0.11 5.26 2.07 -1.03 -2.68 116.25 121.06 2k0f h VAL 104 Ca 0.37 -1.96 -0.11 0.00 0.82 0.00 0.00 66.70 65.82 2k0f h VAL 104 Cb 0.62 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2k0f h VAL 104 CO -0.94 0.61 -0.34 0.24 0.02 0.00 0.00 177.57 177.15 2k0f h MET 105 N 0.32 0.43 -0.30 1.57 2.07 -1.07 0.86 114.93 118.80 2k0f h MET 105 Ca -0.06 -0.31 -0.12 0.00 -2.07 0.00 0.00 59.70 57.14 2k0f h MET 105 Cb 1.35 0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 31.12 2k0f h MET 105 CO 0.14 0.93 -0.32 1.15 1.07 0.00 0.00 176.91 179.89 2k0f h THR 106 N -0.00 1.28 0.00 2.22 2.02 -0.93 0.73 112.91 118.24 2k0f h THR 106 Ca -0.01 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.73 2k0f h THR 106 Cb 0.97 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 2k0f h THR 106 CO 0.07 0.46 -0.10 0.78 0.37 0.00 0.00 175.52 177.10 2k0f h ASN 107 N 0.54 0.00 -0.16 4.18 2.35 -1.35 -2.95 115.58 118.19 2k0f h ASN 107 Ca 0.06 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 2k0f h ASN 107 Cb 0.81 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.18 2k0f h ASN 107 CO 0.07 0.01 -0.08 -0.07 -1.65 0.00 0.00 177.43 175.71 2k0f h LEU 108 N 0.00 0.35 0.00 1.61 3.38 -0.49 -3.39 115.31 116.77 2k0f h LEU 108 Ca 0.00 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2k0f h LEU 108 Cb 0.84 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2k0f h LEU 108 CO 0.00 0.68 0.00 0.61 0.09 0.00 0.00 178.44 179.82 2k0f n GLY 109 N -0.01 0.33 3.20 0.83 0.00 -0.35 -4.90 105.19 104.29 2k0f n GLY 109 Ca -0.05 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 2.48 -0.95 1.61 0.41 0.11 -4.98 118.70 117.37 2k0f s GLU 110 Ca 0.00 -1.25 -0.21 0.00 -0.41 0.00 0.00 54.97 53.10 2k0f s GLU 110 Cb 0.00 -3.26 0.09 0.00 -1.78 0.00 0.00 34.13 29.18 2k0f s GLU 110 CO 0.00 -0.64 1.28 0.21 -0.49 0.00 0.00 175.26 175.62 2k0f s LYS 111 N 1.29 3.55 0.19 1.61 2.20 -1.26 -4.11 119.74 123.21 2k0f s LYS 111 Ca -0.04 -1.35 0.01 0.00 -0.36 0.00 0.00 55.97 54.23 2k0f s LYS 111 Cb -0.20 -5.06 -0.04 0.00 -1.51 0.00 0.00 37.83 31.02 2k0f s LYS 111 CO -0.00 -2.00 0.35 -0.51 -0.36 0.00 0.00 175.35 172.83 2k0f s LEU 112 N 3.96 4.27 0.78 5.43 1.43 -1.26 -5.13 118.68 128.16 2k0f s LEU 112 Ca 0.38 0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 53.72 2k0f s LEU 112 Cb -0.03 -3.05 0.14 0.00 0.03 0.00 0.00 46.19 43.28 2k0f s LEU 112 CO -0.08 -0.01 1.08 0.42 0.23 0.00 0.00 176.35 177.99 2k0f s THR 113 N -1.84 2.11 0.10 5.49 -4.23 -1.26 -4.91 115.64 111.11 2k0f s THR 113 Ca 0.37 -0.42 -0.20 0.00 -1.18 0.00 0.00 61.69 60.25 2k0f s THR 113 Cb -0.11 -2.69 -0.09 0.00 1.34 0.00 0.00 72.50 70.95 2k0f s THR 113 CO 0.29 0.00 1.69 0.44 -0.54 0.00 0.00 174.62 176.50 2k0f h ASP 114 N -0.82 0.21 -0.18 3.99 3.32 -2.00 -2.34 116.42 118.60 2k0f h ASP 114 Ca -0.39 -0.09 0.03 0.00 0.02 0.00 0.00 57.03 56.60 2k0f h ASP 114 Cb 1.26 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 2k0f h ASP 114 CO 0.41 0.24 0.01 -0.33 -1.72 0.00 0.00 179.24 177.85 2k0f h GLU 115 N 0.17 0.07 -0.27 3.56 3.07 -1.99 -1.39 114.58 117.81 2k0f h GLU 115 Ca 0.06 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 2k0f h GLU 115 Cb 0.08 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 2k0f h GLU 115 CO -0.01 0.05 0.14 0.93 -1.40 0.00 0.00 179.01 178.72 2k0f h GLU 116 N 0.08 0.38 -0.72 2.33 5.08 -1.93 -1.70 114.58 118.09 2k0f h GLU 116 Ca 0.08 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 2k0f h GLU 116 Cb 0.09 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 2k0f h GLU 116 CO -0.13 0.36 0.37 0.28 -1.00 0.00 0.00 179.01 178.89 2k0f h VAL 117 N 0.31 0.87 -0.24 3.13 2.07 -1.27 -2.07 116.25 119.05 2k0f h VAL 117 Ca 0.09 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2k0f h VAL 117 Cb 0.10 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2k0f h VAL 117 CO -0.01 0.12 0.10 -0.78 0.02 0.00 0.00 177.57 177.01 2k0f h ASP 118 N 0.64 0.33 -1.01 0.57 1.82 -1.10 -3.08 116.42 114.59 2k0f h ASP 118 Ca 0.35 -0.16 0.24 0.00 -0.39 0.00 0.00 57.03 57.07 2k0f h ASP 118 Cb 0.35 -0.08 -0.12 0.00 0.68 0.00 0.00 39.33 40.15 2k0f h ASP 118 CO -0.26 0.39 0.60 -0.08 -1.61 0.00 0.00 179.24 178.29 2k0f h GLU 119 N 0.24 0.59 0.00 0.28 4.81 -0.95 -1.41 114.58 118.13 2k0f h GLU 119 Ca 0.08 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2k0f h GLU 119 Cb 0.16 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2k0f h GLU 119 CO -0.01 0.39 -0.20 0.52 -0.73 0.00 0.00 179.01 178.98 2k0f h MET 120 N 0.60 0.00 0.82 1.92 2.86 -1.42 -2.30 114.93 117.41 2k0f h MET 120 Ca 0.63 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 58.23 2k0f h MET 120 Cb 1.18 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.85 2k0f h MET 120 CO -0.45 0.20 -0.39 0.82 1.06 0.00 0.00 176.91 178.14 2k0f h ILE 121 N 0.00 0.18 0.00 -1.22 2.04 -1.17 -2.90 117.51 114.43 2k0f h ILE 121 Ca -0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2k0f h ILE 121 Cb 0.85 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2k0f h ILE 121 CO 0.03 0.00 0.00 0.03 0.00 0.00 0.00 178.15 178.21 2k0f h ARG 122 N -1.13 0.00 0.09 2.37 2.47 -1.29 0.29 114.38 117.18 2k0f h ARG 122 Ca -0.11 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.46 2k0f h ARG 122 Cb 0.85 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.18 2k0f h ARG 122 CO 0.18 0.00 -0.71 1.49 0.56 0.00 0.00 179.97 181.49 2k0f h GLU 123 N 0.00 0.19 0.00 0.04 4.81 -1.44 -3.28 114.58 114.90 2k0f h GLU 123 Ca 0.00 -0.32 -0.09 0.00 -0.13 0.00 0.00 59.36 58.82 2k0f h GLU 123 Cb 0.45 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2k0f h GLU 123 CO 0.00 1.15 -0.45 0.00 -0.73 0.00 0.00 179.01 178.98 2k0f h ALA 124 N -0.00 0.97 -2.54 2.92 0.00 -1.27 -3.44 119.26 115.89 2k0f h ALA 124 Ca -0.14 -0.41 -0.53 0.00 0.00 0.00 0.00 54.91 53.83 2k0f h ALA 124 Cb 1.46 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2k0f h ALA 124 CO 0.07 0.56 0.33 0.34 0.00 0.00 0.00 179.25 180.56 2k0f s ASP 125 N -6.55 7.42 -0.23 0.00 2.15 0.06 -4.71 116.67 114.81 2k0f s ASP 125 Ca -0.00 1.70 -0.16 0.00 0.43 0.00 0.00 52.55 54.52 2k0f s ASP 125 Cb 0.11 -2.56 -0.10 0.00 -0.30 0.00 0.00 42.92 40.07 2k0f s ASP 125 CO 0.71 -0.11 -0.29 -0.38 -0.17 0.00 0.00 175.17 174.94 2k0f n ILE 126 N 3.09 1.51 0.03 4.11 5.41 -1.26 -4.76 119.36 127.49 2k0f n ILE 126 Ca 0.03 -0.13 -0.12 0.00 1.00 0.00 0.00 62.75 63.52 2k0f n ILE 126 Cb 0.50 -2.09 -0.09 0.00 -0.71 0.00 0.00 39.64 37.24 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -1.00 -0.10 0.00 4.38 3.04 -1.94 -3.48 116.42 117.32 2k0f h ASP 127 Ca -0.38 -0.44 0.00 0.00 -3.24 0.00 0.00 57.03 52.97 2k0f h ASP 127 Cb 1.30 0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.61 2k0f h ASP 127 CO -0.23 0.42 0.00 0.61 -2.04 0.00 0.00 179.24 178.00 2k0f n GLY 128 N 0.33 -0.35 0.12 7.15 0.00 -1.26 -5.06 105.19 106.11 2k0f n GLY 128 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 0.20 0.00 1.61 2.03 -1.97 -3.47 116.42 114.82 2k0f h ASP 129 Ca 0.00 -0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 2k0f h ASP 129 Cb 0.00 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 38.44 2k0f h ASP 129 CO 0.00 0.99 0.00 0.61 -1.03 0.00 0.00 179.24 179.81 2k0f n GLY 130 N 0.92 0.53 3.44 7.15 0.00 -1.26 -5.05 105.19 110.92 2k0f n GLY 130 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.93 3.05 -0.55 1.61 -0.21 -1.26 -4.90 119.66 116.47 2k0f s GLN 131 Ca 0.00 -1.03 -0.27 0.00 0.02 0.00 0.00 55.36 54.08 2k0f s GLN 131 Cb 0.00 -4.06 0.03 0.00 1.00 0.00 0.00 33.01 29.98 2k0f s GLN 131 CO 0.00 -1.01 1.11 0.08 -2.12 0.00 0.00 175.29 173.35 2k0f s VAL 132 N 2.05 4.16 0.00 1.09 1.01 -1.25 -4.84 120.40 122.62 2k0f s VAL 132 Ca 0.09 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.86 2k0f s VAL 132 Cb -0.20 -4.65 0.00 0.00 0.00 0.00 0.00 36.38 31.53 2k0f s VAL 132 CO 0.10 -1.21 0.00 -0.46 0.00 0.00 0.00 175.10 173.53 2k0f n ASN 133 N 8.04 0.00 -0.14 3.32 0.23 -1.26 -1.96 115.26 123.50 2k0f n ASN 133 Ca 0.07 -0.80 -0.12 0.00 -0.53 0.00 0.00 54.58 53.20 2k0f n ASN 133 Cb 0.49 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.17 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 -0.59 1.10 0.67 -2.53 3.20 -1.96 -3.11 116.97 113.74 2k0f h TYR 134 Ca 0.00 -0.30 -0.03 0.00 3.14 0.00 0.00 58.73 61.54 2k0f h TYR 134 Cb 0.00 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.03 2k0f h TYR 134 CO 0.00 1.12 -0.37 1.49 -1.64 0.00 0.00 178.16 178.76 2k0f h GLU 135 N 0.77 -0.93 -0.28 1.82 4.81 -1.97 0.31 114.58 119.11 2k0f h GLU 135 Ca 0.08 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.46 2k0f h GLU 135 Cb 0.87 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 2k0f h GLU 135 CO 0.08 -0.62 0.33 0.93 -0.73 0.00 0.00 179.01 179.00 2k0f h GLU 136 N -0.96 0.00 0.09 1.92 5.08 -1.90 0.47 114.58 119.28 2k0f h GLU 136 Ca -0.09 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.10 2k0f h GLU 136 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2k0f h GLU 136 CO 0.11 0.00 -0.85 0.35 -1.00 0.00 0.00 179.01 177.63 2k0f h PHE 137 N 0.00 0.34 -0.28 4.33 3.57 -1.31 -1.52 116.94 122.06 2k0f h PHE 137 Ca 0.13 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2k0f h PHE 137 Cb 0.79 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 2k0f h PHE 137 CO 0.00 1.33 0.18 0.28 -2.23 0.00 0.00 178.31 177.87 2k0f h VAL 138 N -0.56 1.08 0.00 1.41 2.07 -0.03 -0.86 116.25 119.36 2k0f h VAL 138 Ca -0.18 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 2k0f h VAL 138 Cb 1.50 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2k0f h VAL 138 CO 0.05 0.08 -0.15 1.56 0.02 0.00 0.00 177.57 179.13 2k0f h GLN 139 N 0.38 0.00 -0.41 1.57 4.20 -0.18 -1.65 115.11 119.02 2k0f h GLN 139 Ca 0.10 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 2k0f h GLN 139 Cb -0.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2k0f h GLN 139 CO -0.02 0.15 -0.01 1.98 -0.67 0.00 0.00 178.83 180.27 2k0f h MET 140 N 0.00 0.72 -0.50 1.46 4.05 -0.80 -3.31 114.93 116.55 2k0f h MET 140 Ca -0.00 -0.23 -0.08 0.00 -0.28 0.00 0.00 59.70 59.10 2k0f h MET 140 Cb 0.40 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 2k0f h MET 140 CO 0.02 0.81 -0.01 0.52 0.23 0.00 0.00 176.91 178.48 2k0f h MET 141 N 0.55 0.85 0.00 0.39 2.86 -0.39 -3.51 114.93 115.69 2k0f h MET 141 Ca 0.11 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2k0f h MET 141 Cb 0.49 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2k0f h MET 141 CO 0.02 0.86 0.00 0.25 1.06 0.00 0.00 176.91 179.10