#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 -0.02 -0.78 3.07 -2.04 -0.22 114.58 114.59 2k0f h GLU 2 Ca 0.00 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.64 2k0f h GLU 2 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2k0f h GLU 2 CO 0.00 0.17 -0.89 0.93 -1.40 0.00 0.00 179.01 177.82 2k0f h GLU 3 N 0.00 0.42 0.20 2.33 5.08 -2.04 0.15 114.58 120.71 2k0f h GLU 3 Ca -0.00 -0.43 -0.31 0.00 -1.00 0.00 0.00 59.36 57.62 2k0f h GLU 3 Cb 0.32 0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.70 2k0f h GLU 3 CO 0.02 1.08 -1.42 0.37 -1.00 0.00 0.00 179.01 178.06 2k0f h GLN 4 N 0.25 0.41 -0.41 2.33 4.15 -1.92 -0.91 115.11 119.02 2k0f h GLN 4 Ca -0.07 -0.71 0.08 0.00 0.77 0.00 0.00 58.65 58.72 2k0f h GLN 4 Cb 1.51 0.26 -0.09 0.00 0.21 0.00 0.00 27.48 29.37 2k0f h GLN 4 CO 0.15 1.33 -0.38 0.82 -1.93 0.00 0.00 178.83 178.82 2k0f h ILE 5 N 0.11 0.16 -0.66 2.39 1.08 -0.95 -2.04 117.51 117.60 2k0f h ILE 5 Ca -0.22 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.37 2k0f h ILE 5 Cb 2.09 0.16 -0.08 0.00 -3.07 0.00 0.00 36.82 35.91 2k0f h ILE 5 CO 0.24 0.00 0.22 0.00 -0.69 0.00 0.00 178.15 177.92 2k0f h ALA 6 N 0.58 0.86 -0.80 1.87 0.00 -0.76 0.63 119.26 121.64 2k0f h ALA 6 Ca 0.16 0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.33 2k0f h ALA 6 Cb 0.57 0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.31 2k0f h ALA 6 CO -0.57 -0.23 -0.23 1.49 0.00 0.00 0.00 179.25 179.71 2k0f h GLU 7 N 0.38 -0.02 0.04 0.00 4.81 -0.77 0.57 114.58 119.59 2k0f h GLU 7 Ca 0.35 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 2k0f h GLU 7 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2k0f h GLU 7 CO -0.37 -0.01 -0.02 0.74 -0.73 0.00 0.00 179.01 178.62 2k0f h PHE 8 N -0.02 -0.05 -0.53 0.92 0.04 -0.97 -3.21 116.94 113.12 2k0f h PHE 8 Ca 0.37 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.21 2k0f h PHE 8 Cb 0.59 0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.70 2k0f h PHE 8 CO -0.66 0.50 0.20 -0.22 -0.60 0.00 0.00 178.31 177.53 2k0f h LYS 9 N -0.95 0.37 0.00 1.51 1.63 -0.71 -1.24 116.57 117.19 2k0f h LYS 9 Ca -0.01 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2k0f h LYS 9 Cb 0.58 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 2k0f h LYS 9 CO 0.01 0.25 -0.27 0.93 -3.45 0.00 0.00 179.45 176.91 2k0f h GLU 10 N 0.38 0.00 0.00 1.90 5.08 -1.06 -2.75 114.58 118.14 2k0f h GLU 10 Ca 0.25 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.40 2k0f h GLU 10 Cb 0.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2k0f h GLU 10 CO -0.25 0.00 -1.09 0.00 -1.00 0.00 0.00 179.01 176.67 2k0f h ALA 11 N 2.41 0.45 -0.18 3.43 0.00 -1.50 -2.23 119.26 121.64 2k0f h ALA 11 Ca 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 54.91 53.96 2k0f h ALA 11 Cb 0.79 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2k0f h ALA 11 CO 0.00 1.26 0.07 0.35 0.00 0.00 0.00 179.25 180.93 2k0f h PHE 12 N 0.00 0.13 -0.01 0.00 3.57 -1.23 -2.82 116.94 116.58 2k0f h PHE 12 Ca -0.06 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2k0f h PHE 12 Cb 1.78 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.49 2k0f h PHE 12 CO 0.00 0.07 -0.04 0.43 -2.23 0.00 0.00 178.31 176.54 2k0f n SER 13 N -5.04 0.57 0.10 0.41 7.64 -1.04 -2.90 113.62 113.36 2k0f n SER 13 Ca -0.03 -0.97 -0.23 0.00 1.01 0.00 0.00 58.87 58.65 2k0f n SER 13 Cb 0.06 -0.03 -0.15 0.00 -1.01 0.00 0.00 64.21 63.08 2k0f n SER 13 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k0f h LEU 14 N 0.84 0.66 -0.49 -3.43 5.85 -1.28 -3.34 115.31 114.12 2k0f h LEU 14 Ca 0.00 -0.93 -0.03 0.00 0.84 0.00 0.00 57.88 57.75 2k0f h LEU 14 Cb 0.27 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2k0f h LEU 14 CO 0.00 1.57 0.18 -0.26 -0.34 0.00 0.00 178.44 179.59 2k0f h PHE 15 N -0.10 0.77 -3.34 1.25 0.04 -1.48 -3.45 116.94 110.64 2k0f h PHE 15 Ca -0.21 -0.07 -0.53 0.00 2.80 0.00 0.00 57.97 59.96 2k0f h PHE 15 Cb 1.92 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 39.85 2k0f h PHE 15 CO 0.16 0.66 0.52 0.34 -0.60 0.00 0.00 178.31 179.39 2k0f s ASP 16 N -6.01 7.15 -0.00 2.17 -1.08 -1.14 -4.74 116.67 113.01 2k0f s ASP 16 Ca -0.13 2.04 -0.08 0.00 -0.52 0.00 0.00 52.55 53.86 2k0f s ASP 16 Cb 0.11 -2.59 -0.30 0.00 -1.46 0.00 0.00 42.92 38.69 2k0f s ASP 16 CO 0.78 -0.38 0.85 0.11 0.52 0.00 0.00 175.17 177.04 2k0f h LYS 17 N 6.18 0.34 0.05 4.34 1.79 -1.87 -3.38 116.57 124.03 2k0f h LYS 17 Ca -0.43 -0.58 -0.00 0.00 -2.18 0.00 0.00 60.65 57.46 2k0f h LYS 17 Cb 1.21 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 32.08 2k0f h LYS 17 CO 0.78 1.24 -0.02 -0.44 -1.08 0.00 0.00 179.45 179.92 2k0f h ASP 18 N 0.09 -0.05 -0.02 0.86 3.32 -1.95 -3.49 116.42 115.18 2k0f h ASP 18 Ca -0.27 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.40 2k0f h ASP 18 Cb 2.06 0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.63 2k0f h ASP 18 CO 0.19 0.61 0.00 0.61 -1.72 0.00 0.00 179.24 178.93 2k0f n GLY 19 N 1.46 1.65 0.08 2.75 0.00 -1.26 -5.06 105.19 104.81 2k0f n GLY 19 Ca -0.05 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 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 0.27 1.87 0.00 1.61 5.75 -1.26 -5.06 116.55 119.73 2k0f n ASP 20 Ca 0.00 0.48 0.00 0.00 -0.01 0.00 0.00 54.79 55.26 2k0f n ASP 20 Cb 0.07 -0.80 0.00 0.00 -1.03 0.00 0.00 41.12 39.36 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 1.53 -0.03 3.01 6.12 0.00 -1.26 -5.13 105.19 109.43 2k0f n GLY 21 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 1.07 -0.25 2.61 -4.23 -1.26 -4.00 115.64 109.58 2k0f s THR 22 Ca 0.00 -0.45 -0.21 0.00 -1.18 0.00 0.00 61.69 59.86 2k0f s THR 22 Cb 0.00 -0.99 -0.02 0.00 1.34 0.00 0.00 72.50 72.84 2k0f s THR 22 CO 0.00 0.34 0.64 -0.63 -0.54 0.00 0.00 174.62 174.43 2k0f s ILE 23 N 0.66 4.98 0.64 2.99 1.01 -0.93 -4.98 121.20 125.57 2k0f s ILE 23 Ca -0.14 1.17 0.01 0.00 0.00 0.00 0.00 60.65 61.69 2k0f s ILE 23 Cb -0.15 -3.95 0.09 0.00 0.01 0.00 0.00 42.46 38.46 2k0f s ILE 23 CO 0.03 0.03 0.89 0.42 0.00 0.00 0.00 174.94 176.31 2k0f s THR 24 N 2.45 2.34 0.30 2.92 -4.23 -1.26 -3.32 115.64 114.83 2k0f s THR 24 Ca 0.27 -0.67 0.03 0.00 -1.18 0.00 0.00 61.69 60.14 2k0f s THR 24 Cb -0.16 -2.67 0.11 0.00 1.34 0.00 0.00 72.50 71.12 2k0f s THR 24 CO 0.09 0.00 1.79 0.71 -0.54 0.00 0.00 174.62 176.66 2k0f h THR 25 N -0.22 1.24 0.00 3.99 1.35 -1.93 -2.07 112.91 115.26 2k0f h THR 25 Ca -0.38 -1.05 -0.09 0.00 -0.55 0.00 0.00 66.41 64.34 2k0f h THR 25 Cb 1.28 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 2k0f h THR 25 CO 0.45 0.34 -0.44 0.07 -0.25 0.00 0.00 175.52 175.69 2k0f h LYS 26 N 0.48 0.00 0.00 4.72 2.10 -1.97 0.10 116.57 121.99 2k0f h LYS 26 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 2k0f h LYS 26 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2k0f h LYS 26 CO 0.03 0.44 -0.02 0.39 -2.00 0.00 0.00 179.45 178.30 2k0f n GLU 27 N -3.85 0.12 0.03 0.07 1.02 -0.82 -0.39 120.64 116.82 2k0f n GLU 27 Ca -0.01 0.09 -0.13 0.00 -0.02 0.00 0.00 57.16 57.09 2k0f n GLU 27 Cb 0.49 -1.63 -0.14 0.00 -0.02 0.00 0.00 31.44 30.14 2k0f n GLU 27 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2k0f h LEU 28 N 0.00 0.22 -0.01 -4.62 3.38 -1.26 -3.35 115.31 109.66 2k0f h LEU 28 Ca 0.00 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 2k0f h LEU 28 Cb 0.61 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2k0f h LEU 28 CO 0.00 1.29 -0.05 1.23 0.09 0.00 0.00 178.44 181.01 2k0f h GLY 29 N 2.37 0.06 0.35 0.83 0.00 -0.58 -1.29 103.07 104.81 2k0f h GLY 29 Ca -0.24 -0.08 0.12 0.00 0.00 0.00 0.00 47.33 47.12 2k0f h GLY 29 CO 0.12 0.07 0.38 0.00 0.00 0.00 0.00 176.54 177.11 2k0f h THR 30 N -0.55 0.79 0.07 4.70 1.03 -0.95 -1.69 112.91 116.32 2k0f h THR 30 Ca -0.00 -0.20 -0.24 0.00 -0.01 0.00 0.00 66.41 65.96 2k0f h THR 30 Cb 0.67 0.14 0.02 0.00 -1.07 0.00 0.00 68.15 67.92 2k0f h THR 30 CO 0.01 0.11 -0.97 0.58 -0.01 0.00 0.00 175.52 175.23 2k0f h VAL 31 N 0.60 1.36 -0.74 0.00 2.07 -1.69 -2.35 116.25 115.50 2k0f h VAL 31 Ca 0.40 -2.33 0.03 0.00 0.82 0.00 0.00 66.70 65.61 2k0f h VAL 31 Cb 0.49 2.70 -0.05 0.00 -1.52 0.00 0.00 31.29 32.91 2k0f h VAL 31 CO -0.32 0.70 0.46 0.24 0.02 0.00 0.00 177.57 178.67 2k0f h MET 32 N 0.09 0.88 -0.52 1.57 2.86 -1.12 -2.68 114.93 116.01 2k0f h MET 32 Ca -0.14 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 2k0f h MET 32 Cb 1.68 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 33.12 2k0f h MET 32 CO 0.19 0.58 0.08 0.00 1.06 0.00 0.00 176.91 178.81 2k0f h ARG 33 N 0.90 0.83 0.00 1.72 3.08 -1.09 -1.14 114.38 118.69 2k0f h ARG 33 Ca 0.30 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2k0f h ARG 33 Cb 0.03 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2k0f h ARG 33 CO -0.12 0.78 0.00 0.77 -1.07 0.00 0.00 179.97 180.34 2k0f h SER 34 N 0.79 0.00 0.00 7.04 0.02 -1.10 -3.31 113.55 116.98 2k0f h SER 34 Ca 0.17 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.80 2k0f h SER 34 Cb 0.37 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.85 2k0f h SER 34 CO 0.01 0.00 -2.15 0.18 -1.14 0.00 0.00 176.83 173.73 2k0f n LEU 35 N -2.83 2.54 0.00 5.07 4.77 -0.80 -4.81 117.00 120.94 2k0f n LEU 35 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2k0f n LEU 35 Cb 0.32 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2k0f n LEU 35 CO 0.26 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 2k0f n GLY 36 N 2.29 -2.36 3.77 -0.72 0.00 -0.50 -5.09 105.19 102.58 2k0f n GLY 36 Ca -0.37 0.78 -0.38 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 -0.36 4.23 -0.86 1.61 -0.21 -0.96 -4.74 119.66 118.37 2k0f s GLN 37 Ca 0.00 1.71 -0.07 0.00 0.02 0.00 0.00 55.36 57.02 2k0f s GLN 37 Cb 0.00 -2.74 0.22 0.00 1.00 0.00 0.00 33.01 31.49 2k0f s GLN 37 CO 0.00 -0.13 0.77 1.21 -2.12 0.00 0.00 175.29 175.02 2k0f s ASN 38 N -1.24 6.29 0.76 5.90 3.84 -1.26 -2.69 114.94 126.55 2k0f s ASN 38 Ca 0.54 -3.25 -0.11 0.00 0.21 0.00 0.00 52.86 50.26 2k0f s ASN 38 Cb -0.28 -2.04 0.05 0.00 -0.55 0.00 0.00 41.25 38.44 2k0f s ASN 38 CO 0.35 -0.34 1.09 -2.16 -2.79 0.00 0.00 177.10 173.24 2k0f s PRO 39 N -0.67 2.35 0.45 0.43 0.04 -1.26 -5.08 135.00 131.26 2k0f s PRO 39 Ca 0.23 1.15 -0.10 0.00 0.04 0.00 0.00 61.00 62.32 2k0f s PRO 39 Cb -0.12 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 2k0f s PRO 39 CO -0.08 -1.57 0.82 0.95 0.04 0.00 0.00 177.00 177.16 2k0f s THR 40 N -2.91 4.77 0.31 1.26 -4.23 -1.26 -5.00 115.64 108.58 2k0f s THR 40 Ca 0.61 0.64 0.13 0.00 -1.18 0.00 0.00 61.69 61.88 2k0f s THR 40 Cb -0.17 -3.77 0.05 0.00 1.34 0.00 0.00 72.50 69.95 2k0f s THR 40 CO 0.56 -0.66 1.73 -0.33 -0.54 0.00 0.00 174.62 175.37 2k0f h GLU 41 N 0.88 0.00 0.26 3.99 4.39 -1.98 -2.45 114.58 119.66 2k0f h GLU 41 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2k0f h GLU 41 Cb 1.19 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 2k0f h GLU 41 CO 0.63 0.48 -0.27 0.00 -1.16 0.00 0.00 179.01 178.68 2k0f h ALA 42 N 1.52 -0.56 -0.43 3.43 0.00 -1.98 -2.01 119.26 119.23 2k0f h ALA 42 Ca -0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2k0f h ALA 42 Cb 0.87 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2k0f h ALA 42 CO 0.06 -0.85 0.29 1.49 0.00 0.00 0.00 179.25 180.24 2k0f h GLU 43 N -0.57 0.47 -0.40 0.00 4.81 -1.93 0.29 114.58 117.25 2k0f h GLU 43 Ca -0.00 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 2k0f h GLU 43 Cb 0.53 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2k0f h GLU 43 CO -0.07 0.31 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.19 2k0f h LEU 44 N 0.49 0.88 -0.65 1.64 3.38 -1.41 -1.66 115.31 117.97 2k0f h LEU 44 Ca 0.17 -0.34 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 2k0f h LEU 44 Cb 0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2k0f h LEU 44 CO -0.04 1.09 -0.40 -0.61 0.09 0.00 0.00 178.44 178.57 2k0f h GLN 45 N 0.73 0.59 -0.32 1.13 5.75 -0.52 -2.09 115.11 120.38 2k0f h GLN 45 Ca 0.09 -0.30 -0.14 0.00 -0.15 0.00 0.00 58.65 58.14 2k0f h GLN 45 Cb 0.81 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.36 2k0f h GLN 45 CO 0.07 0.89 -0.36 0.22 -2.65 0.00 0.00 178.83 177.00 2k0f h ASP 46 N 0.49 0.87 0.35 -0.69 1.82 -0.90 -1.86 116.42 116.50 2k0f h ASP 46 Ca 0.04 -0.48 -0.01 0.00 -0.39 0.00 0.00 57.03 56.19 2k0f h ASP 46 Cb 0.91 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 40.65 2k0f h ASP 46 CO 0.08 1.18 -0.49 -0.03 -1.61 0.00 0.00 179.24 178.37 2k0f h MET 47 N 0.58 -0.84 -0.35 0.28 4.05 -1.29 -1.12 114.93 116.25 2k0f h MET 47 Ca 0.05 0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.43 2k0f h MET 47 Cb 0.95 0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.92 2k0f h MET 47 CO 0.09 -0.56 -0.15 0.97 0.23 0.00 0.00 176.91 177.48 2k0f h ILE 48 N -0.87 1.25 0.00 1.77 2.10 -1.42 -2.06 117.51 118.29 2k0f h ILE 48 Ca -0.04 -1.17 -0.01 0.00 1.08 0.00 0.00 64.86 64.72 2k0f h ILE 48 Cb 0.79 1.15 -0.00 0.00 -1.09 0.00 0.00 36.82 37.67 2k0f h ILE 48 CO -0.13 0.39 -0.06 0.78 -1.08 0.00 0.00 178.15 178.05 2k0f h ASN 49 N 0.58 0.00 -0.13 2.19 2.35 -1.18 -1.23 115.58 118.16 2k0f h ASN 49 Ca 0.10 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 2k0f h ASN 49 Cb 0.60 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.96 2k0f h ASN 49 CO 0.04 0.06 -0.10 -0.08 -1.65 0.00 0.00 177.43 175.69 2k0f h GLU 50 N 0.00 0.30 0.00 0.81 4.81 -0.50 -3.31 114.58 116.70 2k0f h GLU 50 Ca -0.00 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.04 2k0f h GLU 50 Cb 0.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2k0f h GLU 50 CO 0.01 0.68 -0.21 -0.39 -0.73 0.00 0.00 179.01 178.36 2k0f h VAL 51 N -0.07 0.43 -2.91 0.32 -1.51 -1.04 -3.44 116.25 108.03 2k0f h VAL 51 Ca 0.02 -1.29 -0.53 0.00 -1.23 0.00 0.00 66.70 63.68 2k0f h VAL 51 Cb 0.61 1.95 0.03 0.00 -2.13 0.00 0.00 31.29 31.75 2k0f h VAL 51 CO 0.03 0.21 0.81 -0.62 -1.23 0.00 0.00 177.57 176.76 2k0f s ASP 52 N -6.20 6.71 -0.15 4.19 2.15 -0.53 -4.90 116.67 117.95 2k0f s ASP 52 Ca 0.03 2.45 -0.04 0.00 0.43 0.00 0.00 52.55 55.42 2k0f s ASP 52 Cb 0.08 -2.59 -0.08 0.00 -0.30 0.00 0.00 42.92 40.04 2k0f s ASP 52 CO 0.66 -0.74 -0.16 0.00 -0.17 0.00 0.00 175.17 174.76 2k0f n ALA 53 N 4.11 1.86 0.09 3.66 0.00 -1.26 -4.85 120.51 124.11 2k0f n ALA 53 Ca 0.13 -0.61 -0.08 0.00 0.00 0.00 0.00 53.44 52.88 2k0f n ALA 53 Cb 0.41 0.24 0.01 0.00 0.00 0.00 0.00 19.45 20.11 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N -0.29 0.24 0.00 0.00 3.04 -1.92 -3.47 116.42 114.01 2k0f h ASP 54 Ca -0.36 -0.18 0.00 0.00 -3.24 0.00 0.00 57.03 53.25 2k0f h ASP 54 Cb 1.41 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.63 2k0f h ASP 54 CO -0.15 0.96 0.00 0.61 -2.04 0.00 0.00 179.24 178.62 2k0f n GLY 55 N 0.77 0.80 0.08 7.15 0.00 -1.26 -5.03 105.19 107.70 2k0f n GLY 55 Ca -0.03 0.00 -0.09 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 0.04 0.00 1.61 7.08 -1.97 -3.48 115.58 118.86 2k0f h ASN 56 Ca 0.00 -0.06 0.00 0.00 -3.08 0.00 0.00 56.30 53.16 2k0f h ASN 56 Cb 0.00 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 36.23 2k0f h ASN 56 CO 0.00 1.05 0.00 0.61 -2.08 0.00 0.00 177.43 177.01 2k0f n GLY 57 N 1.49 0.32 3.61 9.14 0.00 -1.26 -5.05 105.19 113.44 2k0f n GLY 57 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.03 3.76 -0.16 2.61 -4.23 -1.26 -4.45 115.64 109.87 2k0f s THR 58 Ca 0.00 -0.75 -0.29 0.00 -1.18 0.00 0.00 61.69 59.46 2k0f s THR 58 Cb 0.00 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 2k0f s THR 58 CO 0.00 0.38 1.34 -0.51 -0.54 0.00 0.00 174.62 175.29 2k0f s ILE 59 N -1.03 4.13 0.59 2.99 2.07 -1.21 -4.87 121.20 123.88 2k0f s ILE 59 Ca 0.18 1.36 -0.04 0.00 -1.41 0.00 0.00 60.65 60.74 2k0f s ILE 59 Cb -0.11 -3.91 0.02 0.00 0.13 0.00 0.00 42.46 38.59 2k0f s ILE 59 CO 0.08 -0.16 0.87 -1.81 -1.91 0.00 0.00 174.94 172.01 2k0f s ASP 60 N 2.36 5.37 0.16 4.50 1.11 -1.26 -2.19 116.67 126.72 2k0f s ASP 60 Ca 0.59 0.45 -0.07 0.00 0.18 0.00 0.00 52.55 53.69 2k0f s ASP 60 Cb -0.23 -1.37 0.01 0.00 1.07 0.00 0.00 42.92 42.40 2k0f s ASP 60 CO 0.18 -1.16 1.45 0.15 1.18 0.00 0.00 175.17 176.97 2k0f h PHE 61 N -0.15 0.88 0.00 4.23 3.57 -1.95 -0.28 116.94 123.24 2k0f h PHE 61 Ca -0.45 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 60.73 2k0f h PHE 61 Cb 1.28 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.86 2k0f h PHE 61 CO 0.41 1.10 0.00 -1.35 -2.23 0.00 0.00 178.31 176.25 2k0f h PRO 62 N 0.53 0.00 0.05 6.41 0.11 -1.95 -0.49 132.00 136.66 2k0f h PRO 62 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 2k0f h PRO 62 Cb 1.15 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.27 2k0f h PRO 62 CO 0.12 0.00 -0.31 0.93 -0.21 0.00 0.00 178.00 178.53 2k0f h GLU 63 N 0.00 0.13 -0.99 1.05 5.08 -1.80 -2.82 114.58 115.22 2k0f h GLU 63 Ca 0.00 -0.20 0.13 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 63 Cb 0.33 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 29.51 2k0f h GLU 63 CO 0.00 1.07 -0.47 0.35 -1.00 0.00 0.00 179.01 178.96 2k0f h PHE 64 N -0.72 -1.43 -0.17 4.33 3.57 -0.78 0.12 116.94 121.87 2k0f h PHE 64 Ca -0.05 0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2k0f h PHE 64 Cb 1.22 0.76 -0.01 0.00 2.79 0.00 0.00 35.95 40.71 2k0f h PHE 64 CO 0.24 -0.39 0.09 -0.07 -2.23 0.00 0.00 178.31 175.95 2k0f h LEU 65 N -0.01 0.20 -0.21 0.59 3.38 -1.21 0.32 115.31 118.38 2k0f h LEU 65 Ca 0.27 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2k0f h LEU 65 Cb 0.52 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2k0f h LEU 65 CO -0.96 0.21 0.10 0.74 0.09 0.00 0.00 178.44 178.62 2k0f h THR 66 N 0.18 0.99 0.23 0.22 2.02 -1.32 -2.85 112.91 112.37 2k0f h THR 66 Ca 0.06 -0.07 -0.33 0.00 0.77 0.00 0.00 66.41 66.84 2k0f h THR 66 Cb 0.05 0.76 0.04 0.00 -1.74 0.00 0.00 68.15 67.25 2k0f h THR 66 CO -0.01 0.04 -1.43 -0.03 0.37 0.00 0.00 175.52 174.46 2k0f h MET 67 N 0.21 0.54 -0.00 6.66 1.85 -0.14 -3.19 114.93 120.87 2k0f h MET 67 Ca 0.09 -0.89 0.00 0.00 -0.61 0.00 0.00 59.70 58.29 2k0f h MET 67 Cb 0.03 0.32 0.00 0.00 0.43 0.00 0.00 31.60 32.38 2k0f h MET 67 CO -0.07 1.42 -0.00 -1.33 -0.40 0.00 0.00 176.91 176.53 2k0f n MET 68 N -3.72 0.63 -0.28 0.39 2.81 0.11 -2.25 117.12 114.81 2k0f n MET 68 Ca -0.16 -0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.84 2k0f n MET 68 Cb 1.08 -1.50 0.28 0.00 -0.71 0.00 0.00 33.22 32.37 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 -1.18 2.41 -2.80 3.04 0.00 -1.07 -4.88 120.51 116.02 2k0f n ALA 69 Ca 0.18 -1.09 -0.35 0.00 0.00 0.00 0.00 53.44 52.18 2k0f n ALA 69 Cb 0.20 -0.93 -0.09 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.26 3.87 -0.01 0.00 3.52 -0.95 -5.06 118.95 119.05 2k0f s ARG 70 Ca 0.43 -0.30 -0.09 0.00 -0.13 0.00 0.00 55.73 55.64 2k0f s ARG 70 Cb 0.23 -3.21 -0.05 0.00 -1.56 0.00 0.00 34.95 30.36 2k0f s ARG 70 CO 0.31 0.37 0.28 -1.59 -0.81 0.00 0.00 175.30 173.87 2k0f s LYS 71 N 0.10 3.64 0.00 5.12 -2.85 -1.26 -5.04 119.74 119.44 2k0f s LYS 71 Ca 0.06 0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.07 2k0f s LYS 71 Cb -0.12 -3.12 0.00 0.00 -2.06 0.00 0.00 37.83 32.53 2k0f s LYS 71 CO 0.00 0.67 0.00 -1.33 0.10 0.00 0.00 175.35 174.80 2k0f n MET 72 N 1.40 0.48 -2.11 1.78 2.81 -1.26 -5.09 117.12 115.14 2k0f n MET 72 Ca -0.13 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.48 2k0f n MET 72 Cb 0.53 0.00 0.07 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 -2.28 2.32 0.08 0.03 1.02 -1.26 -4.81 119.74 114.84 2k0f s LYS 73 Ca 0.00 -0.02 -0.18 0.00 0.02 0.00 0.00 55.97 55.78 2k0f s LYS 73 Cb 0.00 -2.10 -0.06 0.00 -0.52 0.00 0.00 37.83 35.15 2k0f s LYS 73 CO 0.00 -1.23 1.31 -0.44 -0.92 0.00 0.00 175.35 174.07 2k0f h ASP 74 N -0.67 -1.11 1.53 2.83 3.32 -1.98 -0.89 116.42 119.46 2k0f h ASP 74 Ca -0.45 0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2k0f h ASP 74 Cb 1.30 0.46 0.00 0.00 0.22 0.00 0.00 39.33 41.32 2k0f h ASP 74 CO 0.62 -0.20 0.00 0.71 -1.72 0.00 0.00 179.24 178.65 2k0f h THR 75 N -0.17 0.00 0.02 0.35 1.35 -2.00 -1.72 112.91 110.75 2k0f h THR 75 Ca 0.05 -0.69 -0.22 0.00 -0.55 0.00 0.00 66.41 65.01 2k0f h THR 75 Cb 0.31 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.36 2k0f h THR 75 CO -0.39 0.00 -1.03 0.44 -0.25 0.00 0.00 175.52 174.29 2k0f h ASP 76 N 0.00 0.08 1.87 5.36 3.32 -1.87 -1.99 116.42 123.18 2k0f h ASP 76 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2k0f h ASP 76 Cb 0.77 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2k0f h ASP 76 CO 0.00 1.05 0.00 0.28 -1.72 0.00 0.00 179.24 178.85 2k0f h SER 77 N 0.01 0.00 0.33 6.45 0.02 -0.25 -2.55 113.55 117.56 2k0f h SER 77 Ca -0.03 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.59 2k0f h SER 77 Cb 1.78 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.33 2k0f h SER 77 CO 0.14 0.00 -1.59 -0.08 -1.14 0.00 0.00 176.83 174.16 2k0f h GLU 78 N 0.00 0.37 -0.35 3.45 4.81 -1.47 -3.37 114.58 118.02 2k0f h GLU 78 Ca 0.00 -0.63 0.03 0.00 -0.13 0.00 0.00 59.36 58.63 2k0f h GLU 78 Cb 0.93 0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 2k0f h GLU 78 CO 0.00 1.27 0.16 1.49 -0.73 0.00 0.00 179.01 181.20 2k0f h GLU 79 N 0.10 0.33 -0.61 1.92 4.81 -0.98 -0.33 114.58 119.82 2k0f h GLU 79 Ca -0.28 -0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.11 2k0f h GLU 79 Cb 2.08 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 31.36 2k0f h GLU 79 CO 0.19 0.22 0.60 1.05 -0.73 0.00 0.00 179.01 180.34 2k0f h GLU 80 N 0.34 0.00 0.01 1.92 4.11 -1.68 0.70 114.58 119.97 2k0f h GLU 80 Ca 0.15 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.58 2k0f h GLU 80 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2k0f h GLU 80 CO -0.12 0.00 -0.00 0.82 0.07 0.00 0.00 179.01 179.78 2k0f h ILE 81 N 0.00 1.06 -0.53 -1.06 2.04 -1.51 -3.13 117.51 114.39 2k0f h ILE 81 Ca 0.29 -1.77 0.09 0.00 1.00 0.00 0.00 64.86 64.47 2k0f h ILE 81 Cb 1.49 2.00 -0.08 0.00 -0.74 0.00 0.00 36.82 39.49 2k0f h ILE 81 CO -0.00 0.36 0.10 0.03 0.00 0.00 0.00 178.15 178.63 2k0f h ARG 82 N -0.99 0.22 0.00 2.37 3.08 -0.30 -1.79 114.38 116.97 2k0f h ARG 82 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2k0f h ARG 82 Cb 0.59 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2k0f h ARG 82 CO 0.00 0.15 0.00 0.93 -1.07 0.00 0.00 179.97 179.98 2k0f h GLU 83 N 0.23 0.00 0.00 0.04 4.39 0.27 -2.04 114.58 117.47 2k0f h GLU 83 Ca 0.27 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.68 2k0f h GLU 83 Cb 0.38 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 2k0f h GLU 83 CO -0.36 0.00 -1.83 0.00 -1.16 0.00 0.00 179.01 175.66 2k0f n ALA 84 N -2.07 1.58 -0.02 3.43 0.00 -0.83 -2.88 120.51 119.72 2k0f n ALA 84 Ca -0.01 -0.86 -0.10 0.00 0.00 0.00 0.00 53.44 52.47 2k0f n ALA 84 Cb 0.21 -0.71 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 2k0f n ALA 84 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2k0f h PHE 85 N 0.00 -0.93 0.00 0.00 3.57 -0.59 -2.81 116.94 116.17 2k0f h PHE 85 Ca -0.32 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.22 2k0f h PHE 85 Cb 1.99 0.44 0.00 0.00 2.79 0.00 0.00 35.95 41.17 2k0f h PHE 85 CO 0.00 -0.41 0.00 2.89 -2.23 0.00 0.00 178.31 178.56 2k0f n ARG 86 N -5.41 0.75 -0.04 1.11 1.85 -1.17 0.12 116.66 113.87 2k0f n ARG 86 Ca -0.03 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.63 2k0f n ARG 86 Cb 0.33 -1.12 -0.13 0.00 -1.05 0.00 0.00 32.46 30.50 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 1.25 0.00 8.89 2.07 -1.38 -3.41 116.25 123.66 2k0f h VAL 87 Ca 0.00 -2.34 -0.06 0.00 0.82 0.00 0.00 66.70 65.12 2k0f h VAL 87 Cb 0.00 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2k0f h VAL 87 CO 0.00 0.57 -0.53 -0.26 0.02 0.00 0.00 177.57 177.37 2k0f h PHE 88 N -0.69 0.00 -3.56 1.57 0.04 -1.11 -3.40 116.94 109.79 2k0f h PHE 88 Ca -0.22 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 59.96 2k0f h PHE 88 Cb 1.42 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.48 2k0f h PHE 88 CO 0.17 0.27 0.64 0.34 -0.60 0.00 0.00 178.31 179.12 2k0f s ASP 89 N -6.13 6.63 -0.19 2.17 2.15 0.12 -4.66 116.67 116.75 2k0f s ASP 89 Ca 0.03 0.44 0.06 0.00 0.43 0.00 0.00 52.55 53.52 2k0f s ASP 89 Cb 0.07 -2.47 -0.16 0.00 -0.30 0.00 0.00 42.92 40.06 2k0f s ASP 89 CO 0.74 -0.96 -0.10 1.17 -0.17 0.00 0.00 175.17 175.85 2k0f n LYS 90 N 7.01 0.81 0.22 4.34 3.00 -1.26 -3.43 118.16 128.85 2k0f n LYS 90 Ca 0.07 0.07 0.10 0.00 -0.00 0.00 0.00 58.31 58.56 2k0f n LYS 90 Cb 0.48 -1.42 0.47 0.00 0.00 0.00 0.00 35.03 34.57 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 0.00 0.00 -0.07 3.14 3.04 -1.94 -3.48 116.42 117.12 2k0f h ASP 91 Ca -0.46 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.32 2k0f h ASP 91 Cb 1.83 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 40.11 2k0f h ASP 91 CO -0.04 0.23 -0.02 0.61 -2.04 0.00 0.00 179.24 177.98 2k0f n GLY 92 N 0.09 0.40 0.15 7.15 0.00 -1.22 -4.97 105.19 106.79 2k0f n GLY 92 Ca -0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 46.02 45.01 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 0.10 0.00 1.61 -1.07 -1.93 -3.46 115.58 110.83 2k0f h ASN 93 Ca -0.02 -0.06 0.00 0.00 0.07 0.00 0.00 56.30 56.29 2k0f h ASN 93 Cb 0.42 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 36.64 2k0f h ASN 93 CO 0.02 0.68 0.00 0.61 0.07 0.00 0.00 177.43 178.82 2k0f n GLY 94 N 0.23 1.01 2.77 9.14 0.00 -1.26 -5.12 105.19 111.96 2k0f n GLY 94 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 0.29 -0.42 1.61 2.02 -1.26 -4.01 117.35 113.58 2k0f s TYR 95 Ca 0.00 0.05 -0.24 0.00 -0.37 0.00 0.00 57.07 56.51 2k0f s TYR 95 Cb 0.00 -0.49 0.02 0.00 -0.40 0.00 0.00 41.96 41.09 2k0f s TYR 95 CO 0.00 -0.18 0.81 0.42 -1.57 0.00 0.00 175.55 175.03 2k0f s ILE 96 N 1.51 4.64 0.60 2.71 1.01 -0.44 -4.86 121.20 126.37 2k0f s ILE 96 Ca -0.03 0.65 -0.08 0.00 0.00 0.00 0.00 60.65 61.19 2k0f s ILE 96 Cb -0.13 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.03 2k0f s ILE 96 CO -0.03 -0.65 0.95 -0.94 0.00 0.00 0.00 174.94 174.28 2k0f s SER 97 N 2.06 5.78 0.49 3.58 1.04 -1.26 -2.43 113.70 122.97 2k0f s SER 97 Ca 0.32 0.97 0.29 0.00 0.48 0.00 0.00 55.95 58.01 2k0f s SER 97 Cb -0.12 -1.99 1.02 0.00 0.10 0.00 0.00 66.02 65.04 2k0f s SER 97 CO 0.21 -1.01 1.86 0.00 0.98 0.00 0.00 173.24 175.28 2k0f h ALA 98 N -0.25 1.00 0.07 5.32 0.00 -1.96 -0.28 119.26 123.16 2k0f h ALA 98 Ca -0.45 -0.07 -0.35 0.00 0.00 0.00 0.00 54.91 54.04 2k0f h ALA 98 Cb 1.24 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 2k0f h ALA 98 CO 0.62 0.10 -1.98 0.00 0.00 0.00 0.00 179.25 177.99 2k0f n ALA 99 N -2.13 1.17 -0.04 0.00 0.00 -1.26 -3.67 120.51 114.57 2k0f n ALA 99 Ca 0.01 -0.74 -0.09 0.00 0.00 0.00 0.00 53.44 52.62 2k0f n ALA 99 Cb 0.39 -0.65 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 2k0f n ALA 99 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k0f h GLU 100 N 0.04 -0.33 -1.18 0.00 4.81 -1.93 -3.20 114.58 112.79 2k0f h GLU 100 Ca -0.40 0.02 0.36 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 100 Cb 2.03 0.07 -0.12 0.00 0.63 0.00 0.00 28.75 31.37 2k0f h GLU 100 CO 0.07 -0.22 0.75 1.25 -0.73 0.00 0.00 179.01 180.13 2k0f h LEU 101 N -0.34 0.34 0.46 1.64 5.85 -1.15 -1.60 115.31 120.52 2k0f h LEU 101 Ca 0.12 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 2k0f h LEU 101 Cb 0.54 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2k0f h LEU 101 CO -0.42 -0.08 -0.34 0.03 -0.34 0.00 0.00 178.44 177.30 2k0f h ARG 102 N 0.22 -0.74 -0.52 1.25 3.08 -1.62 -2.58 114.38 113.47 2k0f h ARG 102 Ca 0.72 0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.85 2k0f h ARG 102 Cb 2.07 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 32.26 2k0f h ARG 102 CO -0.39 -0.49 0.31 1.25 -1.07 0.00 0.00 179.97 179.58 2k0f h HIS 103 N -0.76 0.58 0.00 3.04 2.76 -1.35 0.42 115.15 119.84 2k0f h HIS 103 Ca -0.06 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.12 2k0f h HIS 103 Cb 0.63 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 2k0f h HIS 103 CO -0.09 0.33 -0.04 -0.39 -1.30 0.00 0.00 177.93 176.43 2k0f h VAL 104 N 0.62 0.45 0.01 5.26 -1.51 -1.58 0.54 116.25 120.03 2k0f h VAL 104 Ca 0.21 -0.20 -0.30 0.00 -1.23 0.00 0.00 66.70 65.18 2k0f h VAL 104 Cb 0.03 1.13 -0.05 0.00 -2.13 0.00 0.00 31.29 30.27 2k0f h VAL 104 CO -0.10 0.04 -1.76 0.23 -1.23 0.00 0.00 177.57 174.76 2k0f n MET 105 N -3.65 0.64 -0.32 5.19 2.81 -0.40 -2.41 117.12 118.98 2k0f n MET 105 Ca -0.02 0.28 0.03 0.00 -1.81 0.00 0.00 57.70 56.17 2k0f n MET 105 Cb 0.14 -1.78 0.17 0.00 -0.71 0.00 0.00 33.22 31.04 2k0f n MET 105 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2k0f h THR 106 N 0.00 0.99 -0.57 2.03 2.02 0.05 0.88 112.91 118.31 2k0f h THR 106 Ca -0.31 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 66.48 2k0f h THR 106 Cb 2.03 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 2k0f h THR 106 CO 0.08 0.17 0.06 0.78 0.37 0.00 0.00 175.52 176.98 2k0f h ASN 107 N 0.95 0.90 -0.41 4.18 2.35 -0.98 -3.10 115.58 119.46 2k0f h ASN 107 Ca 0.41 -0.21 -0.08 0.00 -0.55 0.00 0.00 56.30 55.87 2k0f h ASN 107 Cb 0.28 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 2k0f h ASN 107 CO -0.21 0.92 -0.03 0.25 -1.65 0.00 0.00 177.43 176.71 2k0f h LEU 108 N 0.88 0.80 0.00 1.61 5.85 -1.09 -3.41 115.31 119.95 2k0f h LEU 108 Ca 0.17 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2k0f h LEU 108 Cb 0.43 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2k0f h LEU 108 CO 0.01 0.88 0.00 0.61 -0.34 0.00 0.00 178.44 179.61 2k0f n GLY 109 N -0.56 0.96 3.87 3.75 0.00 -0.14 -4.90 105.19 108.17 2k0f n GLY 109 Ca 0.02 0.00 -0.30 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 0.00 3.79 -0.76 1.61 0.41 0.12 -4.98 118.70 118.90 2k0f s GLU 110 Ca 0.00 0.44 0.03 0.00 -0.41 0.00 0.00 54.97 55.04 2k0f s GLU 110 Cb 0.00 -2.42 0.20 0.00 -1.78 0.00 0.00 34.13 30.13 2k0f s GLU 110 CO 0.00 0.01 0.65 0.36 -0.49 0.00 0.00 175.26 175.80 2k0f n LYS 111 N -1.14 2.27 -1.95 1.61 2.85 -1.26 -3.80 118.16 116.74 2k0f n LYS 111 Ca 0.02 -4.53 -0.42 0.00 -1.05 0.00 0.00 58.31 52.33 2k0f n LYS 111 Cb 0.54 -2.32 -0.03 0.00 -0.65 0.00 0.00 35.03 32.57 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 -1.70 4.36 0.97 -5.58 1.43 -1.26 -5.03 118.68 111.87 2k0f s LEU 112 Ca 0.29 2.47 -0.14 0.00 -1.03 0.00 0.00 54.13 55.72 2k0f s LEU 112 Cb -0.01 -3.57 0.17 0.00 0.03 0.00 0.00 46.19 42.82 2k0f s LEU 112 CO -0.12 -0.86 1.15 0.42 0.23 0.00 0.00 176.35 177.17 2k0f s THR 113 N 2.47 1.94 0.36 5.49 -4.23 -1.26 -4.91 115.64 115.50 2k0f s THR 113 Ca 0.73 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 61.33 2k0f s THR 113 Cb -0.39 -2.71 0.12 0.00 1.34 0.00 0.00 72.50 70.85 2k0f s THR 113 CO 0.32 0.00 1.85 0.44 -0.54 0.00 0.00 174.62 176.68 2k0f h ASP 114 N -1.71 0.20 0.23 3.99 3.32 -2.00 -2.97 116.42 117.48 2k0f h ASP 114 Ca -0.50 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.50 2k0f h ASP 114 Cb 1.32 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 2k0f h ASP 114 CO 0.55 0.45 -0.20 -0.33 -1.72 0.00 0.00 179.24 177.98 2k0f h GLU 115 N 0.18 -0.44 0.04 3.56 3.07 -2.00 -2.48 114.58 116.51 2k0f h GLU 115 Ca 0.03 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2k0f h GLU 115 Cb 0.53 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 2k0f h GLU 115 CO 0.04 -0.29 -0.05 0.93 -1.40 0.00 0.00 179.01 178.24 2k0f h GLU 116 N -0.46 -0.10 -0.42 2.33 5.08 -1.91 -2.41 114.58 116.69 2k0f h GLU 116 Ca -0.01 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 2k0f h GLU 116 Cb 0.41 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.59 2k0f h GLU 116 CO -0.03 -0.07 -0.26 0.28 -1.00 0.00 0.00 179.01 177.93 2k0f h VAL 117 N -0.10 0.31 -0.28 3.13 2.07 -1.49 0.10 116.25 119.98 2k0f h VAL 117 Ca 0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2k0f h VAL 117 Cb 0.11 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 2k0f h VAL 117 CO -0.02 0.00 0.07 -0.78 0.02 0.00 0.00 177.57 176.86 2k0f h ASP 118 N -0.18 0.05 -0.75 0.57 3.58 -1.34 -2.41 116.42 115.93 2k0f h ASP 118 Ca 0.19 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 2k0f h ASP 118 Cb 0.49 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.55 2k0f h ASP 118 CO -0.53 0.06 0.46 -0.08 -2.88 0.00 0.00 179.24 176.27 2k0f h GLU 119 N 0.18 1.02 -0.36 0.28 4.81 -0.84 -0.84 114.58 118.83 2k0f h GLU 119 Ca 0.13 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.13 2k0f h GLU 119 Cb 0.12 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2k0f h GLU 119 CO -0.16 0.72 -0.33 0.52 -0.73 0.00 0.00 179.01 179.03 2k0f h MET 120 N 1.03 0.81 0.21 1.92 2.86 -0.68 -0.73 114.93 120.34 2k0f h MET 120 Ca 0.27 -0.39 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2k0f h MET 120 Cb -0.04 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.61 2k0f h MET 120 CO -0.05 1.02 -0.10 0.82 1.06 0.00 0.00 176.91 179.65 2k0f h ILE 121 N 0.68 0.87 -0.55 -1.22 1.08 -1.05 -1.34 117.51 115.98 2k0f h ILE 121 Ca 0.07 -0.68 0.09 0.00 -0.39 0.00 0.00 64.86 63.95 2k0f h ILE 121 Cb 0.88 1.26 -0.07 0.00 -3.07 0.00 0.00 36.82 35.81 2k0f h ILE 121 CO 0.08 0.15 0.14 0.03 -0.69 0.00 0.00 178.15 177.86 2k0f h ARG 122 N -0.64 0.28 -0.87 2.37 3.08 -1.13 -1.06 114.38 116.40 2k0f h ARG 122 Ca -0.03 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.02 2k0f h ARG 122 Cb 0.46 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 2k0f h ARG 122 CO 0.05 0.18 0.58 1.49 -1.07 0.00 0.00 179.97 181.20 2k0f h GLU 123 N 0.28 1.13 -0.05 0.04 4.81 -1.02 -3.13 114.58 116.65 2k0f h GLU 123 Ca 0.28 -0.07 -0.23 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 123 Cb 0.38 -0.26 0.01 0.00 0.63 0.00 0.00 28.75 29.52 2k0f h GLU 123 CO -0.34 0.75 -0.91 0.00 -0.73 0.00 0.00 179.01 177.78 2k0f h ALA 124 N 1.46 0.31 -2.81 2.92 0.00 -0.74 -3.46 119.26 116.95 2k0f h ALA 124 Ca 0.33 -0.66 -0.51 0.00 0.00 0.00 0.00 54.91 54.06 2k0f h ALA 124 Cb -0.10 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.74 2k0f h ALA 124 CO -0.08 0.73 0.55 0.34 0.00 0.00 0.00 179.25 180.79 2k0f s ASP 125 N -7.14 6.78 0.00 0.00 2.15 -0.45 -4.66 116.67 113.36 2k0f s ASP 125 Ca -0.08 2.45 0.00 0.00 0.43 0.00 0.00 52.55 55.35 2k0f s ASP 125 Cb 0.08 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2k0f s ASP 125 CO 0.89 -0.50 0.00 0.00 -0.17 0.00 0.00 175.17 175.39 2k0f n ILE 126 N 0.60 0.00 0.06 4.11 0.13 -1.26 -4.89 119.36 118.11 2k0f n ILE 126 Ca 0.01 0.00 -0.03 0.00 -1.10 0.00 0.00 62.75 61.63 2k0f n ILE 126 Cb 0.44 -0.41 -0.02 0.00 -0.84 0.00 0.00 39.64 38.82 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 2.80 0.00 0.00 176.55 177.11 2k0f h ASP 127 N 0.00 -0.19 0.00 9.51 3.04 -1.96 -3.50 116.42 123.32 2k0f h ASP 127 Ca 0.00 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 2k0f h ASP 127 Cb 0.79 0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.13 2k0f h ASP 127 CO 0.00 0.16 0.00 0.61 -2.04 0.00 0.00 179.24 177.97 2k0f n GLY 128 N 1.11 0.20 0.11 7.15 0.00 -1.26 -5.05 105.19 107.45 2k0f n GLY 128 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 0.04 0.17 0.00 1.61 2.03 -2.00 -3.47 116.42 114.80 2k0f h ASP 129 Ca 0.00 -0.15 0.00 0.00 -0.73 0.00 0.00 57.03 56.15 2k0f h ASP 129 Cb 0.00 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.45 2k0f h ASP 129 CO 0.00 0.98 0.00 0.61 -1.03 0.00 0.00 179.24 179.80 2k0f n GLY 130 N 0.97 0.93 3.05 7.15 0.00 -1.26 -5.08 105.19 110.95 2k0f n GLY 130 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.97 2.20 -0.24 1.61 -0.21 -1.26 -4.68 119.66 116.11 2k0f s GLN 131 Ca 0.00 -0.55 -0.18 0.00 0.02 0.00 0.00 55.36 54.65 2k0f s GLN 131 Cb 0.00 -1.88 -0.03 0.00 1.00 0.00 0.00 33.01 32.11 2k0f s GLN 131 CO 0.00 -0.07 0.51 0.08 -2.12 0.00 0.00 175.29 173.70 2k0f s VAL 132 N 0.99 5.09 0.87 1.09 1.01 -1.02 -4.86 120.40 123.57 2k0f s VAL 132 Ca -0.06 0.90 -0.10 0.00 0.00 0.00 0.00 61.98 62.72 2k0f s VAL 132 Cb -0.15 -3.83 0.18 0.00 0.00 0.00 0.00 36.38 32.58 2k0f s VAL 132 CO -0.02 0.12 1.20 0.54 0.00 0.00 0.00 175.10 176.95 2k0f s ASN 133 N 1.39 3.54 0.13 3.32 2.20 -1.26 -1.33 114.94 122.92 2k0f s ASN 133 Ca 0.22 -0.02 -0.28 0.00 -0.94 0.00 0.00 52.86 51.85 2k0f s ASN 133 Cb -0.15 -0.13 -0.05 0.00 -2.00 0.00 0.00 41.25 38.91 2k0f s ASN 133 CO 0.09 -2.43 1.60 1.88 -2.94 0.00 0.00 177.10 175.31 2k0f h TYR 134 N -1.23 -0.97 -0.86 1.54 0.05 -1.98 -2.95 116.97 110.58 2k0f h TYR 134 Ca -0.41 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.38 2k0f h TYR 134 Cb 1.24 0.43 -0.04 0.00 1.01 0.00 0.00 36.73 39.38 2k0f h TYR 134 CO -0.83 -0.43 0.43 0.93 -1.05 0.00 0.00 178.16 177.21 2k0f h GLU 135 N -0.48 1.22 -0.11 4.88 5.08 -1.96 -1.56 114.58 121.66 2k0f h GLU 135 Ca 0.07 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 135 Cb 0.58 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 2k0f h GLU 135 CO -0.31 0.92 -0.35 0.93 -1.00 0.00 0.00 179.01 179.20 2k0f h GLU 136 N 1.21 -0.42 -0.73 2.33 5.08 -1.88 0.20 114.58 120.36 2k0f h GLU 136 Ca 0.30 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.71 2k0f h GLU 136 Cb 0.09 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2k0f h GLU 136 CO -0.04 -0.28 0.47 0.35 -1.00 0.00 0.00 179.01 178.51 2k0f h PHE 137 N -0.44 0.89 -0.04 4.33 3.57 -1.32 -0.91 116.94 123.02 2k0f h PHE 137 Ca 0.09 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.38 2k0f h PHE 137 Cb 0.58 -0.30 0.01 0.00 2.79 0.00 0.00 35.95 39.02 2k0f h PHE 137 CO -0.42 0.54 -0.89 0.28 -2.23 0.00 0.00 178.31 175.59 2k0f h VAL 138 N 0.95 1.35 -0.40 1.41 2.07 -1.06 0.16 116.25 120.74 2k0f h VAL 138 Ca 0.28 -2.27 -0.06 0.00 0.82 0.00 0.00 66.70 65.47 2k0f h VAL 138 Cb -0.05 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 2k0f h VAL 138 CO -0.09 0.69 0.01 -0.61 0.02 0.00 0.00 177.57 177.59 2k0f h GLN 139 N 0.32 0.63 0.03 1.57 5.75 -0.50 -2.75 115.11 120.15 2k0f h GLN 139 Ca -0.07 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.28 2k0f h GLN 139 Cb 1.51 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.98 2k0f h GLN 139 CO 0.16 0.65 -0.01 1.98 -2.65 0.00 0.00 178.83 178.96 2k0f h MET 140 N 0.60 -0.03 -0.88 1.69 4.05 -0.94 -3.34 114.93 116.08 2k0f h MET 140 Ca 0.13 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.51 2k0f h MET 140 Cb 0.37 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 2k0f h MET 140 CO 0.01 0.26 0.04 -0.12 0.23 0.00 0.00 176.91 177.33 2k0f n MET 141 N -4.97 2.25 0.00 0.39 0.00 0.03 -5.09 117.12 109.73 2k0f n MET 141 Ca -0.08 -1.14 0.00 0.00 -0.00 0.00 0.00 57.70 56.48 2k0f n MET 141 Cb 0.17 -1.72 0.00 0.00 0.00 0.00 0.00 33.22 31.67 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22