#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f n GLU 2 N 0.00 0.50 -0.17 1.09 -0.58 -1.26 -3.04 120.64 117.17 2k0f n GLU 2 Ca 0.00 0.03 -0.09 0.00 -0.42 0.00 0.00 57.16 56.67 2k0f n GLU 2 Cb 0.00 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.18 2k0f n GLU 2 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2k0f h GLU 3 N 0.00 0.82 -0.02 3.49 4.39 -2.04 0.42 114.58 121.64 2k0f h GLU 3 Ca 0.00 -0.23 -0.14 0.00 0.34 0.00 0.00 59.36 59.33 2k0f h GLU 3 Cb 0.90 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 2k0f h GLU 3 CO 0.00 0.83 -0.65 0.37 -1.16 0.00 0.00 179.01 178.39 2k0f h GLN 4 N 0.68 0.07 -0.07 2.33 4.15 -1.98 0.13 115.11 120.43 2k0f h GLN 4 Ca 0.15 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.52 2k0f h GLN 4 Cb 0.42 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 2k0f h GLN 4 CO 0.01 0.70 0.02 0.82 -1.93 0.00 0.00 178.83 178.45 2k0f h ILE 5 N 0.05 0.98 -0.96 2.39 1.08 -1.40 -1.57 117.51 118.07 2k0f h ILE 5 Ca -0.01 -0.02 0.04 0.00 -0.39 0.00 0.00 64.86 64.49 2k0f h ILE 5 Cb 1.16 0.93 -0.06 0.00 -3.07 0.00 0.00 36.82 35.78 2k0f h ILE 5 CO 0.09 0.01 0.63 0.00 -0.69 0.00 0.00 178.15 178.19 2k0f h ALA 6 N 1.04 1.40 0.23 1.87 0.00 0.97 0.15 119.26 124.92 2k0f h ALA 6 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2k0f h ALA 6 Cb 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.48 2k0f h ALA 6 CO -0.03 0.49 -0.12 0.93 0.00 0.00 0.00 179.25 180.53 2k0f h GLU 7 N 1.19 -0.31 0.28 0.00 5.08 -0.74 -1.66 114.58 118.43 2k0f h GLU 7 Ca 0.39 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2k0f h GLU 7 Cb 0.05 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2k0f h GLU 7 CO -0.13 -0.20 -0.30 0.74 -1.00 0.00 0.00 179.01 178.11 2k0f h PHE 8 N -0.32 -0.82 -0.99 4.33 0.04 -0.59 -2.53 116.94 116.07 2k0f h PHE 8 Ca -0.03 0.01 0.35 0.00 2.80 0.00 0.00 57.97 61.10 2k0f h PHE 8 Cb 0.25 0.32 -0.17 0.00 2.20 0.00 0.00 35.95 38.55 2k0f h PHE 8 CO -0.07 -0.43 0.43 -0.22 -0.60 0.00 0.00 178.31 177.42 2k0f h LYS 9 N -0.63 0.11 0.00 1.51 3.64 -0.78 -2.02 116.57 118.41 2k0f h LYS 9 Ca -0.01 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2k0f h LYS 9 Cb 0.58 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2k0f h LYS 9 CO -0.07 0.07 -0.14 1.49 -2.27 0.00 0.00 179.45 178.53 2k0f h GLU 10 N 0.11 0.00 0.10 1.90 4.81 -0.85 -2.28 114.58 118.36 2k0f h GLU 10 Ca 0.75 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.70 2k0f h GLU 10 Cb 1.80 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.18 2k0f h GLU 10 CO -0.74 0.14 -1.30 0.00 -0.73 0.00 0.00 179.01 176.39 2k0f h ALA 11 N 1.86 0.21 -0.78 2.92 0.00 -1.26 -3.33 119.26 118.88 2k0f h ALA 11 Ca -0.00 -0.97 0.01 0.00 0.00 0.00 0.00 54.91 53.95 2k0f h ALA 11 Cb 0.45 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2k0f h ALA 11 CO 0.02 1.09 0.52 0.35 0.00 0.00 0.00 179.25 181.23 2k0f h PHE 12 N 0.06 0.97 0.00 0.00 3.57 -1.19 -2.50 116.94 117.85 2k0f h PHE 12 Ca -0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.38 2k0f h PHE 12 Cb 1.95 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 40.36 2k0f h PHE 12 CO 0.05 0.60 0.00 0.43 -2.23 0.00 0.00 178.31 177.16 2k0f n SER 13 N -4.42 0.58 -0.02 0.41 7.64 -1.11 -0.56 113.62 116.14 2k0f n SER 13 Ca 0.09 0.63 -0.06 0.00 1.01 0.00 0.00 58.87 60.54 2k0f n SER 13 Cb 0.05 -0.76 0.12 0.00 -1.01 0.00 0.00 64.21 62.61 2k0f n SER 13 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k0f h LEU 14 N 0.00 0.60 0.11 -3.43 3.38 -1.59 -3.25 115.31 111.14 2k0f h LEU 14 Ca 0.00 -0.24 -0.35 0.00 0.09 0.00 0.00 57.88 57.37 2k0f h LEU 14 Cb 0.39 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2k0f h LEU 14 CO 0.00 0.90 -1.94 0.49 0.09 0.00 0.00 178.44 177.98 2k0f n PHE 15 N -4.06 1.23 -2.50 1.13 3.72 -1.01 -4.90 117.46 111.06 2k0f n PHE 15 Ca -0.01 0.28 -0.42 0.00 -0.05 0.00 0.00 57.45 57.25 2k0f n PHE 15 Cb 0.48 -1.16 -0.03 0.00 -0.94 0.00 0.00 39.48 37.83 2k0f n PHE 15 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k0f s ASP 16 N -7.02 7.15 -0.12 4.37 2.15 0.27 -4.77 116.67 118.70 2k0f s ASP 16 Ca -0.23 1.89 0.19 0.00 0.43 0.00 0.00 52.55 54.83 2k0f s ASP 16 Cb 0.07 -2.57 -0.28 0.00 -0.30 0.00 0.00 42.92 39.83 2k0f s ASP 16 CO 0.75 -0.44 0.25 1.17 -0.17 0.00 0.00 175.17 176.73 2k0f n LYS 17 N 4.15 0.73 -0.06 4.34 3.00 -1.26 -4.48 118.16 124.57 2k0f n LYS 17 Ca 0.09 -0.09 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 2k0f n LYS 17 Cb 0.48 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 33.99 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2k0f h ASP 18 N 0.00 0.00 -0.02 3.14 3.32 -1.93 -3.49 116.42 117.43 2k0f h ASP 18 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2k0f h ASP 18 Cb 1.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.20 2k0f h ASP 18 CO 0.02 0.64 0.00 0.61 -1.72 0.00 0.00 179.24 178.79 2k0f n GLY 19 N 1.69 0.51 0.02 2.75 0.00 -1.26 -5.05 105.19 103.84 2k0f n GLY 19 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.01 3.94 0.00 1.61 5.75 -1.26 -5.05 116.55 121.52 2k0f n ASP 20 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2k0f n ASP 20 Cb 0.01 0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 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 2.79 1.18 2.97 6.12 0.00 -1.26 -5.09 105.19 111.91 2k0f n GLY 21 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.71 0.46 -0.00 2.61 -4.23 -1.26 -1.72 115.64 109.79 2k0f s THR 22 Ca 0.00 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 2k0f s THR 22 Cb 0.00 -0.39 -0.04 0.00 1.34 0.00 0.00 72.50 73.41 2k0f s THR 22 CO 0.00 0.10 0.05 -0.63 -0.54 0.00 0.00 174.62 173.60 2k0f s ILE 23 N -0.19 4.49 0.00 2.99 1.01 -0.26 -4.87 121.20 124.37 2k0f s ILE 23 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.18 2k0f s ILE 23 Cb -0.03 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.41 2k0f s ILE 23 CO -0.00 0.36 0.00 0.35 0.00 0.00 0.00 174.94 175.65 2k0f n THR 24 N 1.26 0.00 0.04 2.92 -2.24 -1.26 -2.34 114.28 112.66 2k0f n THR 24 Ca -0.14 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.60 2k0f n THR 24 Cb 0.53 -0.71 0.18 0.00 -2.10 0.00 0.00 70.33 68.23 2k0f n THR 24 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2k0f h THR 25 N 0.18 1.29 0.01 4.28 1.35 -1.91 -2.38 112.91 115.73 2k0f h THR 25 Ca 0.00 -1.47 -0.20 0.00 -0.55 0.00 0.00 66.41 64.20 2k0f h THR 25 Cb 0.00 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 2k0f h THR 25 CO 0.00 0.45 -0.90 0.11 -0.25 0.00 0.00 175.52 174.94 2k0f h LYS 26 N 0.34 0.14 0.00 4.72 1.57 -1.97 -2.08 116.57 119.28 2k0f h LYS 26 Ca 0.04 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2k0f h LYS 26 Cb 0.80 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2k0f h LYS 26 CO 0.06 0.94 0.00 0.93 -0.57 0.00 0.00 179.45 180.81 2k0f h GLU 27 N 0.07 0.00 0.08 3.15 5.08 -1.85 -1.52 114.58 119.59 2k0f h GLU 27 Ca -0.04 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.98 2k0f h GLU 27 Cb 1.54 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.76 2k0f h GLU 27 CO 0.13 0.00 -1.91 1.28 -1.00 0.00 0.00 179.01 177.51 2k0f n LEU 28 N -2.98 2.03 0.09 1.33 4.77 -0.90 -4.19 117.00 117.15 2k0f n LEU 28 Ca 0.03 0.27 0.03 0.00 -0.03 0.00 0.00 56.01 56.32 2k0f n LEU 28 Cb 0.46 -0.68 0.41 0.00 -2.33 0.00 0.00 43.42 41.28 2k0f n LEU 28 CO 0.32 0.70 0.96 1.23 -1.33 0.00 0.00 177.39 179.27 2k0f h GLY 29 N 1.94 0.33 1.63 -0.72 0.00 -1.30 -1.64 103.07 103.30 2k0f h GLY 29 Ca -0.38 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2k0f h GLY 29 CO 0.08 0.17 -0.31 -0.84 0.00 0.00 0.00 176.54 175.65 2k0f h THR 30 N 0.30 0.00 0.16 4.70 2.02 -1.46 0.11 112.91 118.74 2k0f h THR 30 Ca 0.07 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 2k0f h THR 30 Cb 0.25 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2k0f h THR 30 CO 0.01 0.00 -0.08 0.58 0.37 0.00 0.00 175.52 176.40 2k0f h VAL 31 N 0.00 0.94 -0.30 3.16 2.07 -1.58 -2.32 116.25 118.23 2k0f h VAL 31 Ca 0.00 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.56 2k0f h VAL 31 Cb 0.82 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 32.04 2k0f h VAL 31 CO 0.00 0.22 -0.14 0.24 0.02 0.00 0.00 177.57 177.91 2k0f h MET 32 N -0.76 -0.09 0.00 1.57 2.86 -0.89 0.14 114.93 117.77 2k0f h MET 32 Ca -0.02 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2k0f h MET 32 Cb 0.52 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2k0f h MET 32 CO 0.04 -0.06 0.00 0.00 1.06 0.00 0.00 176.91 177.95 2k0f h ARG 33 N -0.09 0.00 0.03 1.72 3.08 -0.62 0.41 114.38 118.91 2k0f h ARG 33 Ca 0.15 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 2k0f h ARG 33 Cb 0.32 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.38 2k0f h ARG 33 CO -0.36 0.00 -0.22 0.77 -1.07 0.00 0.00 179.97 179.09 2k0f h SER 34 N 0.00 0.15 0.23 7.04 0.02 -0.51 -3.39 113.55 117.10 2k0f h SER 34 Ca 0.00 -0.90 -0.00 0.00 -0.84 0.00 0.00 61.79 60.05 2k0f h SER 34 Cb 0.43 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 2k0f h SER 34 CO 0.00 1.04 -0.39 -0.07 -1.14 0.00 0.00 176.83 176.27 2k0f h LEU 35 N -0.71 -1.13 0.00 5.07 3.38 -0.71 -3.48 115.31 117.74 2k0f h LEU 35 Ca -0.03 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2k0f h LEU 35 Cb 1.09 0.39 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2k0f h LEU 35 CO 0.04 -0.46 0.00 0.61 0.09 0.00 0.00 178.44 178.72 2k0f n GLY 36 N -1.39 0.00 3.41 0.83 0.00 -0.10 -5.09 105.19 102.84 2k0f n GLY 36 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 1.59 -1.07 1.61 -1.52 -0.06 -4.98 119.66 115.23 2k0f s GLN 37 Ca 0.00 -1.25 -0.06 0.00 -1.95 0.00 0.00 55.36 52.10 2k0f s GLN 37 Cb 0.00 -1.98 0.28 0.00 -0.22 0.00 0.00 33.01 31.09 2k0f s GLN 37 CO 0.00 0.47 1.20 0.09 -0.25 0.00 0.00 175.29 176.80 2k0f n ASN 38 N 1.04 5.65 -4.56 5.90 3.02 -1.26 -2.79 115.26 122.26 2k0f n ASN 38 Ca -0.17 -3.19 -0.29 0.00 -0.03 0.00 0.00 54.58 50.90 2k0f n ASN 38 Cb 0.53 -1.29 0.22 0.00 -0.61 0.00 0.00 39.78 38.63 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2k0f s PRO 39 N -1.84 -0.22 0.27 3.52 0.04 -1.26 -5.07 135.00 130.43 2k0f s PRO 39 Ca 0.31 1.11 0.08 0.00 0.04 0.00 0.00 61.00 62.54 2k0f s PRO 39 Cb -0.04 -1.61 -0.05 0.00 0.04 0.00 0.00 34.50 32.83 2k0f s PRO 39 CO -0.02 -3.34 -0.10 -0.08 0.04 0.00 0.00 177.00 173.50 2k0f s THR 40 N -2.53 1.84 0.13 1.26 -1.32 -1.26 -5.05 115.64 108.70 2k0f s THR 40 Ca 0.68 -2.19 -0.33 0.00 -1.21 0.00 0.00 61.69 58.64 2k0f s THR 40 Cb -0.24 -2.36 -0.11 0.00 -1.51 0.00 0.00 72.50 68.28 2k0f s THR 40 CO 0.62 -0.37 1.56 -0.33 -2.21 0.00 0.00 174.62 173.89 2k0f h GLU 41 N 2.31 -0.49 -0.51 7.08 4.39 -2.00 -2.38 114.58 122.99 2k0f h GLU 41 Ca -0.40 0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.43 2k0f h GLU 41 Cb 1.24 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 29.89 2k0f h GLU 41 CO 0.65 -0.32 -0.33 0.00 -1.16 0.00 0.00 179.01 177.85 2k0f h ALA 42 N -0.13 -0.09 -0.70 3.43 0.00 -1.99 -1.26 119.26 118.51 2k0f h ALA 42 Ca 0.06 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2k0f h ALA 42 Cb 0.65 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 2k0f h ALA 42 CO -0.49 -0.69 0.45 0.93 0.00 0.00 0.00 179.25 179.44 2k0f h GLU 43 N -0.20 0.87 -0.64 0.00 5.08 -1.93 -1.30 114.58 116.46 2k0f h GLU 43 Ca 0.21 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 2k0f h GLU 43 Cb 0.54 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2k0f h GLU 43 CO -0.62 0.57 0.29 -0.07 -1.00 0.00 0.00 179.01 178.19 2k0f h LEU 44 N 0.89 0.84 -0.76 1.33 3.38 -0.74 -0.32 115.31 119.94 2k0f h LEU 44 Ca 0.27 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2k0f h LEU 44 Cb -0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2k0f h LEU 44 CO -0.09 0.75 -0.01 1.56 0.09 0.00 0.00 178.44 180.74 2k0f h GLN 45 N 0.88 0.93 0.04 1.13 4.20 -0.87 -1.16 115.11 120.27 2k0f h GLN 45 Ca 0.22 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 2k0f h GLN 45 Cb 0.14 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2k0f h GLN 45 CO -0.03 0.93 -0.02 0.22 -0.67 0.00 0.00 178.83 179.26 2k0f h ASP 46 N 0.86 -0.05 -0.56 1.46 1.82 -1.04 -3.27 116.42 115.64 2k0f h ASP 46 Ca 0.16 -0.58 0.11 0.00 -0.39 0.00 0.00 57.03 56.33 2k0f h ASP 46 Cb 0.52 0.01 -0.09 0.00 0.68 0.00 0.00 39.33 40.45 2k0f h ASP 46 CO 0.03 0.59 -0.01 0.24 -1.61 0.00 0.00 179.24 178.48 2k0f h MET 47 N -0.74 0.11 0.00 0.28 2.86 -1.03 -2.43 114.93 113.98 2k0f h MET 47 Ca -0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2k0f h MET 47 Cb 0.63 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2k0f h MET 47 CO 0.01 0.07 0.00 1.51 1.06 0.00 0.00 176.91 179.56 2k0f n ILE 48 N -5.26 0.78 0.26 -1.22 3.06 -0.44 -2.57 119.36 113.96 2k0f n ILE 48 Ca 0.07 0.13 0.11 0.00 -2.50 0.00 0.00 62.75 60.57 2k0f n ILE 48 Cb 0.31 -1.06 0.71 0.00 0.54 0.00 0.00 39.64 40.13 2k0f n ILE 48 CO 0.00 0.00 0.00 0.78 -2.50 0.00 0.00 176.55 174.83 2k0f h ASN 49 N 0.00 0.00 0.78 9.51 2.35 -1.48 -0.42 115.58 126.32 2k0f h ASN 49 Ca 0.00 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 2k0f h ASN 49 Cb 0.44 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.77 2k0f h ASN 49 CO 0.00 0.11 -1.30 -0.08 -1.65 0.00 0.00 177.43 174.50 2k0f h GLU 50 N 0.00 0.01 -0.10 0.81 4.81 -1.66 -3.19 114.58 115.26 2k0f h GLU 50 Ca -0.00 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.04 2k0f h GLU 50 Cb 0.25 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2k0f h GLU 50 CO 0.01 0.80 -0.67 -0.39 -0.73 0.00 0.00 179.01 178.03 2k0f h VAL 51 N 0.00 1.37 -2.73 0.32 -1.51 -1.65 -3.44 116.25 108.61 2k0f h VAL 51 Ca -0.13 -2.04 -0.55 0.00 -1.23 0.00 0.00 66.70 62.75 2k0f h VAL 51 Cb 1.88 2.02 -0.02 0.00 -2.13 0.00 0.00 31.29 33.04 2k0f h VAL 51 CO 0.11 0.62 1.01 -0.62 -1.23 0.00 0.00 177.57 177.46 2k0f s ASP 52 N -6.95 6.76 -0.22 4.19 2.15 -0.19 -4.84 116.67 117.57 2k0f s ASP 52 Ca -0.06 2.08 -0.20 0.00 0.43 0.00 0.00 52.55 54.80 2k0f s ASP 52 Cb 0.11 -2.54 -0.18 0.00 -0.30 0.00 0.00 42.92 40.01 2k0f s ASP 52 CO 0.84 -0.86 0.12 0.00 -0.17 0.00 0.00 175.17 175.10 2k0f n ALA 53 N 6.76 0.84 -0.04 3.66 0.00 -1.26 -4.69 120.51 125.78 2k0f n ALA 53 Ca 0.16 -0.58 -0.14 0.00 0.00 0.00 0.00 53.44 52.88 2k0f n ALA 53 Cb 0.43 -0.45 -0.08 0.00 0.00 0.00 0.00 19.45 19.35 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N -1.00 0.34 0.00 0.00 3.04 -1.92 -3.49 116.42 113.39 2k0f h ASP 54 Ca -0.40 -0.57 0.00 0.00 -3.24 0.00 0.00 57.03 52.83 2k0f h ASP 54 Cb 1.34 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 2k0f h ASP 54 CO -0.24 0.85 0.00 0.61 -2.04 0.00 0.00 179.24 178.42 2k0f n GLY 55 N 0.46 1.56 0.23 7.15 0.00 -1.26 -5.01 105.19 108.32 2k0f n GLY 55 Ca -0.07 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.97 -3.47 115.58 118.83 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 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.96 2k0f n GLY 57 N -0.07 0.69 3.18 9.14 0.00 -1.26 -5.07 105.19 111.80 2k0f n GLY 57 Ca 0.01 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 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 1.26 -0.24 2.61 -4.23 -1.26 -4.64 115.64 107.14 2k0f s THR 58 Ca 0.00 -1.18 -0.21 0.00 -1.18 0.00 0.00 61.69 59.12 2k0f s THR 58 Cb 0.00 -1.15 -0.02 0.00 1.34 0.00 0.00 72.50 72.67 2k0f s THR 58 CO 0.00 -0.04 0.68 -0.51 -0.54 0.00 0.00 174.62 174.21 2k0f s ILE 59 N -1.00 4.95 0.47 2.99 2.07 -0.99 -4.71 121.20 124.98 2k0f s ILE 59 Ca 0.02 1.25 0.03 0.00 -1.41 0.00 0.00 60.65 60.54 2k0f s ILE 59 Cb -0.09 -3.98 0.01 0.00 0.13 0.00 0.00 42.46 38.53 2k0f s ILE 59 CO 0.02 0.02 0.66 -1.81 -1.91 0.00 0.00 174.94 171.92 2k0f s ASP 60 N 1.39 5.61 0.07 4.50 1.11 -1.26 -1.10 116.67 126.99 2k0f s ASP 60 Ca 0.29 -0.02 -0.31 0.00 0.18 0.00 0.00 52.55 52.68 2k0f s ASP 60 Cb -0.16 -1.08 -0.18 0.00 1.07 0.00 0.00 42.92 42.57 2k0f s ASP 60 CO 0.09 -0.84 1.62 0.15 1.18 0.00 0.00 175.17 177.37 2k0f h PHE 61 N 0.39 -0.70 0.00 4.23 3.57 -1.74 -2.69 116.94 120.01 2k0f h PHE 61 Ca -0.43 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2k0f h PHE 61 Cb 1.27 0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.25 2k0f h PHE 61 CO 0.41 -0.43 0.00 -1.00 -2.23 0.00 0.00 178.31 175.06 2k0f h PRO 62 N -0.77 0.00 0.27 6.41 0.13 -1.96 -2.25 132.00 133.84 2k0f h PRO 62 Ca -0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 2k0f h PRO 62 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 2k0f h PRO 62 CO 0.13 0.00 -0.13 0.93 -0.23 0.00 0.00 178.00 178.69 2k0f h GLU 63 N 0.00 -0.35 -0.76 0.86 5.08 -1.86 -1.68 114.58 115.86 2k0f h GLU 63 Ca 0.00 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.54 2k0f h GLU 63 Cb 0.13 0.08 -0.14 0.00 0.50 0.00 0.00 28.75 29.31 2k0f h GLU 63 CO 0.00 -0.07 -0.20 0.35 -1.00 0.00 0.00 179.01 178.09 2k0f h PHE 64 N -1.01 -0.43 -0.85 4.33 3.04 -1.46 0.15 116.94 120.71 2k0f h PHE 64 Ca -0.04 0.07 0.02 0.00 3.98 0.00 0.00 57.97 62.00 2k0f h PHE 64 Cb 0.45 0.31 -0.04 0.00 2.56 0.00 0.00 35.95 39.22 2k0f h PHE 64 CO 0.04 -0.33 0.56 -0.07 -2.02 0.00 0.00 178.31 176.49 2k0f h LEU 65 N -0.01 0.96 -0.15 0.59 3.38 -1.38 0.27 115.31 118.98 2k0f h LEU 65 Ca 0.36 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.14 2k0f h LEU 65 Cb 0.56 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.08 2k0f h LEU 65 CO -0.79 0.68 -0.60 0.74 0.09 0.00 0.00 178.44 178.57 2k0f h THR 66 N 1.12 1.32 -0.88 0.22 2.02 -0.99 -1.56 112.91 114.17 2k0f h THR 66 Ca 0.32 -1.85 0.11 0.00 0.77 0.00 0.00 66.41 65.76 2k0f h THR 66 Cb -0.09 2.03 -0.08 0.00 -1.74 0.00 0.00 68.15 68.28 2k0f h THR 66 CO -0.08 0.57 0.51 -0.03 0.37 0.00 0.00 175.52 176.86 2k0f h MET 67 N 0.34 0.79 0.05 6.66 1.85 -0.27 -0.72 114.93 123.63 2k0f h MET 67 Ca -0.03 -0.05 -0.23 0.00 -0.61 0.00 0.00 59.70 58.78 2k0f h MET 67 Cb 1.23 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 33.07 2k0f h MET 67 CO 0.12 0.52 -1.04 0.52 -0.40 0.00 0.00 176.91 176.64 2k0f h MET 68 N 0.82 0.21 0.00 0.39 2.07 -0.82 -3.37 114.93 114.22 2k0f h MET 68 Ca 0.44 -0.29 -0.24 0.00 -2.07 0.00 0.00 59.70 57.53 2k0f h MET 68 Cb 0.45 0.10 -0.04 0.00 -1.87 0.00 0.00 31.60 30.23 2k0f h MET 68 CO -0.27 1.08 -1.80 0.00 1.07 0.00 0.00 176.91 176.98 2k0f n ALA 69 N -2.48 1.77 -2.14 6.32 0.00 -0.60 -4.92 120.51 118.46 2k0f n ALA 69 Ca -0.05 -0.81 -0.37 0.00 0.00 0.00 0.00 53.44 52.21 2k0f n ALA 69 Cb 0.91 -0.71 -0.06 0.00 0.00 0.00 0.00 19.45 19.60 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -2.77 4.25 0.07 0.00 3.52 -0.30 -5.07 118.95 118.65 2k0f s ARG 70 Ca -0.06 0.84 0.04 0.00 -0.13 0.00 0.00 55.73 56.42 2k0f s ARG 70 Cb 0.08 -2.98 -0.03 0.00 -1.56 0.00 0.00 34.95 30.46 2k0f s ARG 70 CO 0.83 0.46 -0.11 0.21 -0.81 0.00 0.00 175.30 175.88 2k0f s LYS 71 N -1.76 0.76 0.00 5.12 2.20 -1.26 -4.91 119.74 119.89 2k0f s LYS 71 Ca 0.40 -0.97 0.00 0.00 -0.36 0.00 0.00 55.97 55.03 2k0f s LYS 71 Cb -0.18 -0.60 0.00 0.00 -1.51 0.00 0.00 37.83 35.55 2k0f s LYS 71 CO 0.21 0.12 0.00 -1.33 -0.36 0.00 0.00 175.35 173.99 2k0f n MET 72 N 1.09 0.00 -2.66 4.03 2.81 -1.26 -5.10 117.12 116.04 2k0f n MET 72 Ca -0.20 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.26 2k0f n MET 72 Cb 0.55 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 33.04 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 0.66 3.78 0.47 0.03 1.02 -1.26 -4.94 119.74 119.51 2k0f s LYS 73 Ca 0.00 0.62 0.20 0.00 0.02 0.00 0.00 55.97 56.81 2k0f s LYS 73 Cb 0.00 -3.86 1.15 0.00 -0.52 0.00 0.00 37.83 34.60 2k0f s LYS 73 CO 0.00 -1.22 2.00 0.22 -0.92 0.00 0.00 175.35 175.43 2k0f h ASP 74 N 8.90 0.00 0.19 2.83 3.58 -1.98 -3.11 116.42 126.83 2k0f h ASP 74 Ca -0.23 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.23 2k0f h ASP 74 Cb 1.06 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.07 2k0f h ASP 74 CO 1.08 0.18 -0.53 0.71 -2.88 0.00 0.00 179.24 177.80 2k0f h THR 75 N 0.00 0.00 -0.76 2.25 1.35 -2.00 -1.11 112.91 112.64 2k0f h THR 75 Ca -0.00 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.00 2k0f h THR 75 Cb 0.37 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 66.74 2k0f h THR 75 CO 0.02 0.00 0.50 -0.78 -0.25 0.00 0.00 175.52 175.02 2k0f h ASP 76 N -0.80 0.41 0.42 5.36 3.58 -1.99 -3.18 116.42 120.22 2k0f h ASP 76 Ca -0.02 0.02 -0.31 0.00 0.42 0.00 0.00 57.03 57.14 2k0f h ASP 76 Cb 0.78 -0.06 0.02 0.00 1.72 0.00 0.00 39.33 41.80 2k0f h ASP 76 CO -0.25 0.21 -1.40 0.28 -2.88 0.00 0.00 179.24 175.21 2k0f h SER 77 N 0.44 0.64 0.22 2.28 0.02 -1.35 -1.02 113.55 114.78 2k0f h SER 77 Ca 0.37 -0.71 -0.08 0.00 -0.84 0.00 0.00 61.79 60.53 2k0f h SER 77 Cb 0.82 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2k0f h SER 77 CO -0.12 1.56 -0.32 -0.33 -1.14 0.00 0.00 176.83 176.47 2k0f h GLU 78 N 0.11 0.16 0.02 3.45 4.39 -1.24 -1.62 114.58 119.85 2k0f h GLU 78 Ca -0.21 -0.06 -0.23 0.00 0.34 0.00 0.00 59.36 59.20 2k0f h GLU 78 Cb 2.08 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.70 2k0f h GLU 78 CO 0.24 0.46 -1.11 0.93 -1.16 0.00 0.00 179.01 178.37 2k0f h GLU 79 N 0.14 0.05 -0.49 2.33 4.39 -1.51 -0.67 114.58 118.82 2k0f h GLU 79 Ca 0.02 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2k0f h GLU 79 Cb 0.64 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 2k0f h GLU 79 CO 0.05 0.99 0.30 1.49 -1.16 0.00 0.00 179.01 180.68 2k0f h GLU 80 N 0.01 0.66 -0.43 2.33 4.81 -0.95 -1.65 114.58 119.36 2k0f h GLU 80 Ca -0.06 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 2k0f h GLU 80 Cb 1.83 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 31.05 2k0f h GLU 80 CO 0.14 0.47 0.03 0.82 -0.73 0.00 0.00 179.01 179.74 2k0f h ILE 81 N 0.66 1.22 0.70 2.32 1.08 -0.99 -1.83 117.51 120.67 2k0f h ILE 81 Ca 0.18 -0.86 -0.03 0.00 -0.39 0.00 0.00 64.86 63.75 2k0f h ILE 81 Cb -0.02 0.86 -0.00 0.00 -3.07 0.00 0.00 36.82 34.58 2k0f h ILE 81 CO -0.03 0.30 -0.42 0.03 -0.69 0.00 0.00 178.15 177.34 2k0f h ARG 82 N 0.65 -1.01 -0.16 2.37 3.08 -0.98 -1.83 114.38 116.49 2k0f h ARG 82 Ca 0.14 0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.30 2k0f h ARG 82 Cb 0.36 0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 2k0f h ARG 82 CO 0.01 -0.68 0.14 0.93 -1.07 0.00 0.00 179.97 179.31 2k0f h GLU 83 N -1.05 0.00 0.00 0.04 4.39 -1.36 0.11 114.58 116.71 2k0f h GLU 83 Ca -0.09 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 2k0f h GLU 83 Cb 0.84 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 2k0f h GLU 83 CO 0.10 0.00 -0.39 0.00 -1.16 0.00 0.00 179.01 177.56 2k0f h ALA 84 N 1.87 1.15 0.07 3.43 0.00 -1.08 -3.05 119.26 121.65 2k0f h ALA 84 Ca 0.08 -0.35 -0.30 0.00 0.00 0.00 0.00 54.91 54.33 2k0f h ALA 84 Cb 0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2k0f h ALA 84 CO -0.00 0.48 -1.63 0.35 0.00 0.00 0.00 179.25 178.45 2k0f h PHE 85 N 0.00 0.28 0.00 0.00 3.04 -0.46 -3.28 116.94 116.52 2k0f h PHE 85 Ca -0.00 -0.20 0.00 0.00 3.98 0.00 0.00 57.97 61.74 2k0f h PHE 85 Cb 0.79 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.29 2k0f h PHE 85 CO 0.00 1.30 0.02 -0.09 -2.02 0.00 0.00 178.31 177.53 2k0f h ARG 86 N 0.04 0.00 -0.08 1.11 2.43 -0.96 -1.91 114.38 115.01 2k0f h ARG 86 Ca -0.27 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.81 2k0f h ARG 86 Cb 2.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.54 2k0f h ARG 86 CO 0.12 0.00 -0.38 0.28 -1.51 0.00 0.00 179.97 178.48 2k0f h VAL 87 N 0.00 1.29 0.00 0.20 2.07 -1.59 -3.40 116.25 114.82 2k0f h VAL 87 Ca 0.00 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.12 2k0f h VAL 87 Cb 0.05 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2k0f h VAL 87 CO 0.00 0.41 0.00 0.49 0.02 0.00 0.00 177.57 178.49 2k0f n PHE 88 N -4.06 0.00 -1.69 1.57 3.72 -0.73 -4.93 117.46 111.34 2k0f n PHE 88 Ca -0.01 0.00 -0.62 0.00 -0.05 0.00 0.00 57.45 56.77 2k0f n PHE 88 Cb 0.44 -0.17 -0.08 0.00 -0.94 0.00 0.00 39.48 38.72 2k0f n PHE 88 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2k0f n ASP 89 N -1.53 1.56 -0.01 4.37 2.03 -1.14 -4.82 116.55 117.01 2k0f n ASP 89 Ca 0.00 1.14 -0.20 0.00 0.52 0.00 0.00 54.79 56.24 2k0f n ASP 89 Cb 0.00 -1.01 -0.14 0.00 -0.72 0.00 0.00 41.12 39.25 2k0f n ASP 89 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2k0f n LYS 90 N 4.10 0.75 0.07 -0.67 3.00 -1.26 -4.35 118.16 119.80 2k0f n LYS 90 Ca 0.27 0.25 -0.22 0.00 -0.00 0.00 0.00 58.31 58.62 2k0f n LYS 90 Cb 0.05 -1.70 -0.15 0.00 0.00 0.00 0.00 35.03 33.23 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 0.06 0.57 -0.87 3.14 2.03 -1.94 -3.49 116.42 115.93 2k0f h ASP 91 Ca -0.43 -0.93 0.00 0.00 -0.73 0.00 0.00 57.03 54.94 2k0f h ASP 91 Cb 2.03 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 40.34 2k0f h ASP 91 CO 0.08 1.52 0.00 0.61 -1.03 0.00 0.00 179.24 180.41 2k0f n GLY 92 N 1.70 0.51 0.09 7.15 0.00 -1.26 -5.01 105.19 108.36 2k0f n GLY 92 Ca -0.16 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N -0.43 0.47 0.00 1.61 6.94 -1.26 -4.99 115.26 117.60 2k0f n ASN 93 Ca 0.00 0.22 0.00 0.00 -0.02 0.00 0.00 54.58 54.78 2k0f n ASN 93 Cb 0.21 0.45 0.00 0.00 -2.36 0.00 0.00 39.78 38.07 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.63 1.81 2.99 4.83 0.00 -1.26 -5.11 105.19 110.08 2k0f n GLY 94 Ca -0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 0.09 -0.44 1.61 2.02 -1.26 -3.80 117.35 113.56 2k0f s TYR 95 Ca 0.00 -0.18 -0.12 0.00 -0.37 0.00 0.00 57.07 56.41 2k0f s TYR 95 Cb 0.00 -0.08 0.08 0.00 -0.40 0.00 0.00 41.96 41.56 2k0f s TYR 95 CO 0.00 -0.15 0.32 0.42 -1.57 0.00 0.00 175.55 174.57 2k0f s ILE 96 N -0.85 4.64 0.44 2.71 1.01 0.62 -4.69 121.20 125.07 2k0f s ILE 96 Ca -0.09 -1.29 -0.05 0.00 0.00 0.00 0.00 60.65 59.22 2k0f s ILE 96 Cb -0.06 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2k0f s ILE 96 CO -0.00 -0.56 0.73 -0.44 0.00 0.00 0.00 174.94 174.67 2k0f s SER 97 N 2.37 6.30 0.24 3.58 0.01 -1.26 -1.68 113.70 123.26 2k0f s SER 97 Ca 0.03 0.84 -0.05 0.00 1.31 0.00 0.00 55.95 58.09 2k0f s SER 97 Cb -0.24 -2.21 0.42 0.00 0.21 0.00 0.00 66.02 64.20 2k0f s SER 97 CO 0.04 -0.49 1.75 0.00 0.41 0.00 0.00 173.24 174.95 2k0f h ALA 98 N 0.49 1.06 -0.31 1.44 0.00 -1.98 0.75 119.26 120.70 2k0f h ALA 98 Ca -0.47 0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.58 2k0f h ALA 98 Cb 1.20 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 2k0f h ALA 98 CO 0.62 -0.13 -0.04 0.00 0.00 0.00 0.00 179.25 179.70 2k0f h ALA 99 N 1.50 0.24 0.00 0.00 0.00 -1.99 0.28 119.26 119.29 2k0f h ALA 99 Ca 0.39 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 2k0f h ALA 99 Cb 0.53 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2k0f h ALA 99 CO -0.34 -0.44 -0.06 0.93 0.00 0.00 0.00 179.25 179.33 2k0f h GLU 100 N 0.04 0.00 0.00 0.00 5.08 -1.22 -1.79 114.58 116.70 2k0f h GLU 100 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2k0f h GLU 100 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2k0f h GLU 100 CO -0.29 0.06 -0.08 1.25 -1.00 0.00 0.00 179.01 178.95 2k0f h LEU 101 N 0.00 0.00 -0.48 1.33 5.85 -1.06 -3.31 115.31 117.64 2k0f h LEU 101 Ca -0.00 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.80 2k0f h LEU 101 Cb 0.34 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.27 2k0f h LEU 101 CO 0.01 0.53 -0.43 0.03 -0.34 0.00 0.00 178.44 178.23 2k0f h ARG 102 N -0.97 -0.27 0.00 1.25 3.08 -0.77 -0.57 114.38 116.12 2k0f h ARG 102 Ca 0.00 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 2k0f h ARG 102 Cb 0.08 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 2k0f h ARG 102 CO 0.00 -0.18 -0.14 0.45 -1.07 0.00 0.00 179.97 179.03 2k0f h HIS 103 N -0.28 0.00 0.02 3.04 3.86 -1.55 0.47 115.15 120.71 2k0f h HIS 103 Ca 0.15 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.33 2k0f h HIS 103 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2k0f h HIS 103 CO -0.66 0.14 -0.17 0.28 0.86 0.00 0.00 177.93 178.38 2k0f h VAL 104 N 0.00 1.69 -0.84 2.45 2.07 -1.57 -2.16 116.25 117.88 2k0f h VAL 104 Ca -0.00 -2.23 0.20 0.00 0.82 0.00 0.00 66.70 65.48 2k0f h VAL 104 Cb 0.25 3.18 -0.12 0.00 -1.52 0.00 0.00 31.29 33.09 2k0f h VAL 104 CO 0.02 0.59 0.32 0.24 0.02 0.00 0.00 177.57 178.76 2k0f h MET 105 N -0.79 0.36 -0.12 1.57 2.07 -0.84 -2.50 114.93 114.67 2k0f h MET 105 Ca -0.03 -0.02 0.01 0.00 -2.07 0.00 0.00 59.70 57.60 2k0f h MET 105 Cb 1.07 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 30.70 2k0f h MET 105 CO 0.03 0.24 0.03 1.15 1.07 0.00 0.00 176.91 179.42 2k0f h THR 106 N 0.37 0.95 0.00 2.22 2.02 -0.72 -1.54 112.91 116.21 2k0f h THR 106 Ca 0.51 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.66 2k0f h THR 106 Cb 0.92 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2k0f h THR 106 CO -0.52 0.01 0.00 0.59 0.37 0.00 0.00 175.52 175.98 2k0f n ASN 107 N -5.08 0.63 -0.01 4.18 3.02 -0.82 -2.72 115.26 114.45 2k0f n ASN 107 Ca -0.04 0.64 -0.01 0.00 -0.03 0.00 0.00 54.58 55.13 2k0f n ASN 107 Cb 0.06 -0.78 -0.01 0.00 -0.61 0.00 0.00 39.78 38.45 2k0f n ASN 107 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2k0f h LEU 108 N 0.00 -0.07 0.00 3.41 3.38 -1.12 -3.39 115.31 117.52 2k0f h LEU 108 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k0f h LEU 108 Cb 0.41 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2k0f h LEU 108 CO 0.00 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.54 2k0f n GLY 109 N 1.58 0.00 2.88 0.83 0.00 -0.66 -4.96 105.19 104.86 2k0f n GLY 109 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2k0f n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0f s GLU 110 N 0.00 1.34 -0.67 1.61 2.56 -0.73 -5.01 118.70 117.81 2k0f s GLU 110 Ca 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 54.97 54.03 2k0f s GLU 110 Cb 0.00 -2.44 0.17 0.00 2.00 0.00 0.00 34.13 33.86 2k0f s GLU 110 CO 0.00 -0.61 0.58 0.15 -0.56 0.00 0.00 175.26 174.83 2k0f s LYS 111 N 1.53 3.10 0.99 4.30 1.02 -1.26 -2.78 119.74 126.64 2k0f s LYS 111 Ca -0.04 -2.21 -0.14 0.00 0.02 0.00 0.00 55.97 53.59 2k0f s LYS 111 Cb -0.18 -4.19 0.18 0.00 -0.52 0.00 0.00 37.83 33.12 2k0f s LYS 111 CO -0.07 -1.26 1.15 -0.51 -0.92 0.00 0.00 175.35 173.74 2k0f s LEU 112 N 0.60 1.77 0.52 3.17 1.43 -1.26 -5.10 118.68 119.81 2k0f s LEU 112 Ca 0.13 0.85 0.03 0.00 -1.03 0.00 0.00 54.13 54.11 2k0f s LEU 112 Cb -0.19 -3.01 0.01 0.00 0.03 0.00 0.00 46.19 43.03 2k0f s LEU 112 CO -0.04 -2.97 0.17 0.42 0.23 0.00 0.00 176.35 174.16 2k0f s THR 113 N -3.25 1.40 -0.49 5.49 -4.23 -1.26 -5.00 115.64 108.30 2k0f s THR 113 Ca 0.67 -1.78 0.26 0.00 -1.18 0.00 0.00 61.69 59.65 2k0f s THR 113 Cb -0.13 -2.19 0.31 0.00 1.34 0.00 0.00 72.50 71.83 2k0f s THR 113 CO 0.54 0.00 1.75 0.44 -0.54 0.00 0.00 174.62 176.82 2k0f h ASP 114 N 1.11 0.00 0.00 3.99 3.32 -2.00 -2.45 116.42 120.39 2k0f h ASP 114 Ca -0.41 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.64 2k0f h ASP 114 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2k0f h ASP 114 CO 0.67 0.00 -0.00 -0.33 -1.72 0.00 0.00 179.24 177.86 2k0f h GLU 115 N 0.00 -0.00 -0.47 3.56 5.08 -1.99 -3.32 114.58 117.44 2k0f h GLU 115 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 115 Cb 0.69 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2k0f h GLU 115 CO 0.00 0.64 0.02 0.93 -1.00 0.00 0.00 179.01 179.60 2k0f h GLU 116 N -0.65 0.82 -0.36 2.33 5.08 -1.90 0.14 114.58 120.04 2k0f h GLU 116 Ca -0.00 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 58.15 2k0f h GLU 116 Cb 0.64 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 2k0f h GLU 116 CO 0.00 0.86 -0.42 0.28 -1.00 0.00 0.00 179.01 178.72 2k0f h VAL 117 N 0.67 0.00 -0.20 3.13 2.07 -1.64 -0.49 116.25 119.78 2k0f h VAL 117 Ca 0.14 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.68 2k0f h VAL 117 Cb 0.47 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 2k0f h VAL 117 CO 0.02 0.00 -0.34 -0.78 0.02 0.00 0.00 177.57 176.49 2k0f h ASP 118 N -0.26 -1.12 -0.92 0.57 3.58 -1.64 -2.15 116.42 114.46 2k0f h ASP 118 Ca 0.06 0.14 0.26 0.00 0.42 0.00 0.00 57.03 57.91 2k0f h ASP 118 Cb 0.43 0.45 -0.16 0.00 1.72 0.00 0.00 39.33 41.77 2k0f h ASP 118 CO -0.48 -0.26 0.12 -0.08 -2.88 0.00 0.00 179.24 175.65 2k0f h GLU 119 N -0.28 0.08 0.00 0.28 4.81 -0.60 -2.13 114.58 116.74 2k0f h GLU 119 Ca 0.04 -0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.01 2k0f h GLU 119 Cb 0.38 -0.02 0.02 0.00 0.63 0.00 0.00 28.75 29.76 2k0f h GLU 119 CO -0.34 0.05 -1.01 0.52 -0.73 0.00 0.00 179.01 177.50 2k0f h MET 120 N 0.08 0.61 0.00 1.92 2.86 -0.93 -3.23 114.93 116.25 2k0f h MET 120 Ca 0.58 -0.66 -0.09 0.00 -2.06 0.00 0.00 59.70 57.47 2k0f h MET 120 Cb 1.19 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 33.02 2k0f h MET 120 CO -0.80 1.26 -0.42 0.82 1.06 0.00 0.00 176.91 178.83 2k0f h ILE 121 N 0.35 1.21 -0.90 -1.22 2.04 -1.00 -2.89 117.51 115.09 2k0f h ILE 121 Ca -0.11 -1.50 0.01 0.00 1.00 0.00 0.00 64.86 64.26 2k0f h ILE 121 Cb 1.66 1.83 -0.04 0.00 -0.74 0.00 0.00 36.82 39.52 2k0f h ILE 121 CO 0.19 0.41 0.59 -0.09 0.00 0.00 0.00 178.15 179.26 2k0f h ARG 122 N 0.00 1.18 0.00 2.37 2.43 -1.41 -0.69 114.38 118.26 2k0f h ARG 122 Ca -0.00 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 2k0f h ARG 122 Cb 0.79 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2k0f h ARG 122 CO 0.06 0.78 -0.53 1.05 -1.51 0.00 0.00 179.97 179.81 2k0f h GLU 123 N 1.21 0.00 0.00 0.20 4.11 -1.68 -3.39 114.58 115.03 2k0f h GLU 123 Ca 0.33 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.76 2k0f h GLU 123 Cb -0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2k0f h GLU 123 CO -0.07 0.24 -0.00 0.00 0.07 0.00 0.00 179.01 179.25 2k0f h ALA 124 N 1.72 -0.00 -2.67 1.06 0.00 -1.15 -3.46 119.26 114.76 2k0f h ALA 124 Ca -0.02 -0.49 -0.52 0.00 0.00 0.00 0.00 54.91 53.87 2k0f h ALA 124 Cb 1.23 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.05 2k0f h ALA 124 CO 0.03 -0.00 0.61 0.34 0.00 0.00 0.00 179.25 180.23 2k0f s ASP 125 N -6.21 6.99 -0.15 0.00 -1.08 -0.34 -4.68 116.67 111.19 2k0f s ASP 125 Ca -0.19 2.32 -0.22 0.00 -0.52 0.00 0.00 52.55 53.94 2k0f s ASP 125 Cb -0.03 -2.61 -0.24 0.00 -1.46 0.00 0.00 42.92 38.58 2k0f s ASP 125 CO 0.68 -0.45 0.50 0.40 0.52 0.00 0.00 175.17 176.82 2k0f h ILE 126 N 3.75 1.22 0.14 4.11 2.04 -1.89 -3.39 117.51 123.50 2k0f h ILE 126 Ca -0.45 -2.31 -0.30 0.00 1.00 0.00 0.00 64.86 62.80 2k0f h ILE 126 Cb 1.21 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 40.04 2k0f h ILE 126 CO 0.76 0.53 -1.48 -2.24 0.00 0.00 0.00 178.15 175.72 2k0f h ASP 127 N -0.76 0.45 0.00 1.72 3.04 -1.96 -3.48 116.42 115.42 2k0f h ASP 127 Ca -0.23 -0.58 0.00 0.00 -3.24 0.00 0.00 57.03 52.98 2k0f h ASP 127 Cb 1.37 -0.15 0.00 0.00 -1.04 0.00 0.00 39.33 39.51 2k0f h ASP 127 CO -0.06 1.47 0.00 0.61 -2.04 0.00 0.00 179.24 179.23 2k0f n GLY 128 N 1.65 1.32 0.22 7.15 0.00 -1.26 -5.03 105.19 109.24 2k0f n GLY 128 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 0.61 0.00 1.61 2.03 -1.94 -3.48 116.42 115.26 2k0f h ASP 129 Ca 0.00 -0.31 0.00 0.00 -0.73 0.00 0.00 57.03 55.99 2k0f h ASP 129 Cb 0.00 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.33 2k0f h ASP 129 CO 0.00 1.02 0.00 0.61 -1.03 0.00 0.00 179.24 179.84 2k0f n GLY 130 N 0.19 1.18 2.98 7.15 0.00 -1.26 -5.09 105.19 110.35 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 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 131 N -0.48 1.92 -0.61 1.61 -2.07 -1.26 -4.57 119.66 114.21 2k0f s GLN 131 Ca 0.00 -0.43 -0.25 0.00 -1.82 0.00 0.00 55.36 52.86 2k0f s GLN 131 Cb 0.00 -1.79 0.04 0.00 -1.09 0.00 0.00 33.01 30.17 2k0f s GLN 131 CO 0.00 -0.19 1.07 0.08 -1.32 0.00 0.00 175.29 174.93 2k0f s VAL 132 N 1.39 4.17 0.85 3.63 1.01 -0.68 -4.77 120.40 126.00 2k0f s VAL 132 Ca 0.01 0.38 -0.12 0.00 0.00 0.00 0.00 61.98 62.25 2k0f s VAL 132 Cb -0.13 -4.67 0.10 0.00 0.00 0.00 0.00 36.38 31.67 2k0f s VAL 132 CO -0.07 -1.35 1.13 0.21 0.00 0.00 0.00 175.10 175.02 2k0f s ASN 133 N 3.14 4.04 0.14 3.32 2.47 -1.26 -0.27 114.94 126.52 2k0f s ASN 133 Ca 0.33 1.06 -0.25 0.00 0.42 0.00 0.00 52.86 54.43 2k0f s ASN 133 Cb -0.11 -1.69 -0.03 0.00 -1.45 0.00 0.00 41.25 37.97 2k0f s ASN 133 CO 0.19 -2.22 1.33 -1.22 -3.72 0.00 0.00 177.10 171.45 2k0f n TYR 134 N -3.57 -0.33 -0.14 0.43 4.01 -1.25 -1.71 117.16 114.61 2k0f n TYR 134 Ca 0.07 1.07 -0.11 0.00 -0.16 0.00 0.00 57.90 58.78 2k0f n TYR 134 Cb 0.58 -0.60 -0.02 0.00 -0.31 0.00 0.00 39.34 39.00 2k0f n TYR 134 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2k0f h GLU 135 N 0.00 0.71 -0.76 -0.72 4.81 -1.95 -2.37 114.58 114.30 2k0f h GLU 135 Ca 0.16 -0.24 0.12 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 135 Cb 0.37 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.61 2k0f h GLU 135 CO -0.81 0.82 0.37 0.93 -0.73 0.00 0.00 179.01 179.59 2k0f h GLU 136 N 0.53 0.57 0.21 1.92 5.08 -1.80 0.12 114.58 121.22 2k0f h GLU 136 Ca 0.11 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2k0f h GLU 136 Cb 0.52 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2k0f h GLU 136 CO 0.03 0.38 -0.35 0.35 -1.00 0.00 0.00 179.01 178.41 2k0f h PHE 137 N 0.59 -1.01 0.00 4.33 3.57 -1.25 -2.46 116.94 120.71 2k0f h PHE 137 Ca 0.40 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.91 2k0f h PHE 137 Cb 0.49 0.41 0.00 0.00 2.79 0.00 0.00 35.95 39.64 2k0f h PHE 137 CO -0.11 -0.44 0.00 1.55 -2.23 0.00 0.00 178.31 177.08 2k0f n VAL 138 N -4.50 1.01 0.04 1.41 3.14 -0.82 -2.93 118.33 115.68 2k0f n VAL 138 Ca -0.07 0.47 -0.10 0.00 -2.96 0.00 0.00 64.34 61.68 2k0f n VAL 138 Cb 0.30 -1.42 -0.08 0.00 -1.06 0.00 0.00 33.84 31.58 2k0f n VAL 138 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 2k0f h GLN 139 N 0.00 -0.18 -0.15 1.45 5.75 -0.67 -3.40 115.11 117.91 2k0f h GLN 139 Ca 0.00 0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.41 2k0f h GLN 139 Cb 0.18 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 2k0f h GLN 139 CO 0.00 0.26 -0.35 0.00 -2.65 0.00 0.00 178.83 176.10 2k0f h MET 140 N -0.88 0.31 -0.05 1.69 -0.00 -1.32 -3.31 114.93 111.38 2k0f h MET 140 Ca -0.02 -0.13 0.00 0.00 -0.00 0.00 0.00 59.70 59.55 2k0f h MET 140 Cb 0.53 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.12 2k0f h MET 140 CO 0.03 0.62 0.00 -1.33 -0.00 0.00 0.00 176.91 176.24 2k0f n MET 141 N -4.07 1.06 0.00 -0.10 2.81 -1.23 -5.09 117.12 110.50 2k0f n MET 141 Ca -0.01 -0.09 0.13 0.00 -1.81 0.00 0.00 57.70 55.92 2k0f n MET 141 Cb 0.44 -1.03 0.30 0.00 -0.71 0.00 0.00 33.22 32.23 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73