#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 0.04 -0.10 -2.82 3.07 -2.05 0.27 114.58 112.99 2k0f h GLU 2 Ca 0.00 -0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 2k0f h GLU 2 Cb 0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 2k0f h GLU 2 CO 0.00 0.03 -0.53 1.49 -1.40 0.00 0.00 179.01 178.60 2k0f h GLU 3 N 0.04 0.29 -0.38 2.33 4.57 -2.05 -1.94 114.58 117.44 2k0f h GLU 3 Ca 0.15 -0.17 -0.14 0.00 -1.18 0.00 0.00 59.36 58.02 2k0f h GLU 3 Cb 0.22 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2k0f h GLU 3 CO -0.29 0.75 -0.32 1.96 -1.18 0.00 0.00 179.01 179.92 2k0f h GLN 4 N 0.23 0.85 -0.22 1.92 7.50 -1.83 0.09 115.11 123.65 2k0f h GLN 4 Ca 0.01 -0.41 0.05 0.00 0.50 0.00 0.00 58.65 58.80 2k0f h GLN 4 Cb 1.01 -0.01 -0.05 0.00 0.05 0.00 0.00 27.48 28.48 2k0f h GLN 4 CO 0.09 1.05 -0.11 0.82 -1.50 0.00 0.00 178.83 179.17 2k0f h ILE 5 N 0.72 0.65 -0.54 2.54 1.08 -0.07 -0.11 117.51 121.78 2k0f h ILE 5 Ca 0.07 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.64 2k0f h ILE 5 Cb 0.88 0.65 -0.08 0.00 -3.07 0.00 0.00 36.82 35.21 2k0f h ILE 5 CO 0.08 0.00 0.09 0.00 -0.69 0.00 0.00 178.15 177.63 2k0f h ALA 6 N 1.09 0.60 -0.03 1.87 0.00 -1.22 0.47 119.26 122.05 2k0f h ALA 6 Ca 0.12 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2k0f h ALA 6 Cb 0.27 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k0f h ALA 6 CO -0.27 -0.32 0.01 0.93 0.00 0.00 0.00 179.25 179.59 2k0f h GLU 7 N 0.23 0.05 -0.32 0.00 5.08 -0.55 -1.01 114.58 118.05 2k0f h GLU 7 Ca 0.27 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 7 Cb 0.39 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2k0f h GLU 7 CO -0.37 0.25 -0.49 0.74 -1.00 0.00 0.00 179.01 178.14 2k0f h PHE 8 N -0.16 1.10 -0.73 4.33 0.04 -0.79 -2.20 116.94 118.52 2k0f h PHE 8 Ca 0.01 -0.37 -0.01 0.00 2.80 0.00 0.00 57.97 60.40 2k0f h PHE 8 Cb 0.22 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.12 2k0f h PHE 8 CO -0.00 1.20 0.43 -0.22 -0.60 0.00 0.00 178.31 179.11 2k0f h LYS 9 N 0.70 1.01 0.00 1.51 3.64 0.09 -1.19 116.57 122.33 2k0f h LYS 9 Ca 0.03 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2k0f h LYS 9 Cb 1.09 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 2k0f h LYS 9 CO 0.11 0.73 -0.08 0.93 -2.27 0.00 0.00 179.45 178.87 2k0f h GLU 10 N 1.01 0.00 -0.02 1.90 5.08 -1.19 -3.06 114.58 118.30 2k0f h GLU 10 Ca 0.26 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 10 Cb -0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2k0f h GLU 10 CO -0.05 0.08 -0.99 0.00 -1.00 0.00 0.00 179.01 177.06 2k0f h ALA 11 N 1.92 0.22 -0.70 3.43 0.00 -1.16 -3.15 119.26 119.82 2k0f h ALA 11 Ca -0.00 -0.69 0.14 0.00 0.00 0.00 0.00 54.91 54.36 2k0f h ALA 11 Cb 0.73 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 2k0f h ALA 11 CO 0.01 0.72 0.22 0.35 0.00 0.00 0.00 179.25 180.55 2k0f h PHE 12 N 0.37 0.36 -1.10 0.00 3.04 -1.24 -2.46 116.94 115.91 2k0f h PHE 12 Ca -0.11 0.04 0.30 0.00 3.98 0.00 0.00 57.97 62.18 2k0f h PHE 12 Cb 1.63 -0.05 -0.10 0.00 2.56 0.00 0.00 35.95 39.99 2k0f h PHE 12 CO 0.09 -0.01 0.70 0.77 -2.02 0.00 0.00 178.31 177.85 2k0f h SER 13 N 0.34 0.40 0.36 0.41 0.02 -1.49 -0.15 113.55 113.45 2k0f h SER 13 Ca 0.39 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.39 2k0f h SER 13 Cb 0.61 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 2k0f h SER 13 CO -0.43 0.02 -0.19 -0.07 -1.14 0.00 0.00 176.83 175.02 2k0f h LEU 14 N 0.32 0.00 0.03 5.07 3.38 -1.41 -3.13 115.31 119.58 2k0f h LEU 14 Ca 0.65 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.28 2k0f h LEU 14 Cb 1.74 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.44 2k0f h LEU 14 CO -0.33 0.19 -1.98 0.49 0.09 0.00 0.00 178.44 176.89 2k0f n PHE 15 N -3.85 0.76 -2.14 1.13 3.01 -0.64 -4.04 117.46 111.69 2k0f n PHE 15 Ca -0.02 0.23 -0.40 0.00 1.01 0.00 0.00 57.45 58.28 2k0f n PHE 15 Cb 0.28 -1.13 -0.01 0.00 -0.01 0.00 0.00 39.48 38.61 2k0f n PHE 15 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2k0f s ASP 16 N -6.21 6.51 0.18 4.37 -1.08 -0.16 -4.44 116.67 115.84 2k0f s ASP 16 Ca -0.12 2.58 -0.13 0.00 -0.52 0.00 0.00 52.55 54.36 2k0f s ASP 16 Cb 0.07 -2.64 0.08 0.00 -1.46 0.00 0.00 42.92 38.98 2k0f s ASP 16 CO 0.79 -0.70 1.79 0.50 0.52 0.00 0.00 175.17 178.07 2k0f h LYS 17 N 2.89 0.82 0.00 4.34 3.64 -1.86 -3.39 116.57 123.01 2k0f h LYS 17 Ca -0.49 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 2k0f h LYS 17 Cb 1.24 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2k0f h LYS 17 CO 0.63 0.63 -0.37 -0.25 -2.27 0.00 0.00 179.45 177.82 2k0f n ASP 18 N -4.58 0.93 0.00 4.20 8.00 -1.26 -5.04 116.55 118.80 2k0f n ASP 18 Ca 0.04 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.69 2k0f n ASP 18 Cb 0.08 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 2.18 0.62 0.00 0.44 0.00 -1.26 -5.03 105.19 102.14 2k0f n GLY 19 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.00 1.61 5.75 -1.26 -4.92 116.55 117.73 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 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 3.31 0.00 3.17 6.12 0.00 -1.26 -5.02 105.19 111.50 2k0f n GLY 21 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 1.33 -0.08 2.61 -4.23 -1.26 -3.58 115.64 110.43 2k0f s THR 22 Ca 0.00 -0.86 0.05 0.00 -1.18 0.00 0.00 61.69 59.70 2k0f s THR 22 Cb 0.00 -1.14 -0.00 0.00 1.34 0.00 0.00 72.50 72.70 2k0f s THR 22 CO 0.00 0.27 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.48 2k0f s ILE 23 N -0.56 1.97 0.23 2.99 1.01 -0.35 -4.90 121.20 121.59 2k0f s ILE 23 Ca 0.06 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.75 2k0f s ILE 23 Cb -0.07 -1.69 0.03 0.00 0.01 0.00 0.00 42.46 40.74 2k0f s ILE 23 CO 0.00 0.54 0.24 0.35 0.00 0.00 0.00 174.94 176.08 2k0f n THR 24 N 3.31 0.00 0.34 2.92 -2.24 -1.26 -2.37 114.28 114.98 2k0f n THR 24 Ca -0.19 -0.85 0.13 0.00 -2.27 0.00 0.00 64.05 60.88 2k0f n THR 24 Cb 0.53 -0.53 0.32 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.33 0.00 0.17 4.28 1.35 -1.94 -2.97 112.91 114.13 2k0f h THR 25 Ca -0.13 -0.75 -0.25 0.00 -0.55 0.00 0.00 66.41 64.73 2k0f h THR 25 Cb 0.52 1.74 0.03 0.00 -1.73 0.00 0.00 68.15 68.70 2k0f h THR 25 CO 0.19 0.00 -1.07 0.11 -0.25 0.00 0.00 175.52 174.50 2k0f h LYS 26 N 0.00 0.43 -0.54 4.72 1.79 -1.97 -1.37 116.57 119.62 2k0f h LYS 26 Ca 0.00 -0.69 -0.12 0.00 -2.18 0.00 0.00 60.65 57.67 2k0f h LYS 26 Cb 0.82 0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 31.71 2k0f h LYS 26 CO 0.00 1.32 -0.12 0.93 -1.08 0.00 0.00 179.45 180.50 2k0f h GLU 27 N -0.11 1.04 -0.02 3.15 5.08 -1.90 -2.98 114.58 118.84 2k0f h GLU 27 Ca -0.18 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 57.77 2k0f h GLU 27 Cb 1.83 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.02 2k0f h GLU 27 CO 0.20 1.09 -0.04 1.25 -1.00 0.00 0.00 179.01 180.50 2k0f h LEU 28 N 0.92 0.08 -0.42 1.33 5.85 -1.62 -3.06 115.31 118.38 2k0f h LEU 28 Ca 0.14 -0.57 0.05 0.00 0.84 0.00 0.00 57.88 58.34 2k0f h LEU 28 Cb 0.70 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 2k0f h LEU 28 CO 0.05 0.64 -0.20 0.61 -0.34 0.00 0.00 178.44 179.20 2k0f n GLY 29 N 0.46 -0.96 0.20 3.75 0.00 -0.52 -2.41 105.19 105.71 2k0f n GLY 29 Ca -0.08 0.48 0.08 0.00 0.00 0.00 0.00 46.02 46.49 2k0f n GLY 29 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k0f h THR 30 N 0.00 0.68 -0.16 2.61 2.02 -1.43 -2.78 112.91 113.85 2k0f h THR 30 Ca 0.11 -1.40 -0.02 0.00 0.77 0.00 0.00 66.41 65.86 2k0f h THR 30 Cb 0.21 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 2k0f h THR 30 CO -0.40 0.30 0.00 1.62 0.37 0.00 0.00 175.52 177.41 2k0f h VAL 31 N 0.00 1.25 -0.31 3.16 3.04 -1.38 -2.63 116.25 119.39 2k0f h VAL 31 Ca -0.00 -0.83 -0.16 0.00 -1.01 0.00 0.00 66.70 64.70 2k0f h VAL 31 Cb 0.89 1.49 -0.00 0.00 -2.01 0.00 0.00 31.29 31.66 2k0f h VAL 31 CO 0.04 0.25 -0.42 0.24 -1.01 0.00 0.00 177.57 176.66 2k0f h MET 32 N 0.02 0.83 -0.81 4.17 2.86 -1.30 -1.28 114.93 119.43 2k0f h MET 32 Ca 0.04 -0.48 0.02 0.00 -2.06 0.00 0.00 59.70 57.23 2k0f h MET 32 Cb 0.37 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 2k0f h MET 32 CO 0.01 1.12 0.53 0.00 1.06 0.00 0.00 176.91 179.63 2k0f h ARG 33 N 0.60 1.00 -0.68 1.72 3.08 -1.38 0.19 114.38 118.91 2k0f h ARG 33 Ca 0.03 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2k0f h ARG 33 Cb 1.02 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 2k0f h ARG 33 CO 0.10 0.66 0.28 0.77 -1.07 0.00 0.00 179.97 180.71 2k0f h SER 34 N 1.03 0.94 0.06 7.04 0.02 -0.99 -3.26 113.55 118.39 2k0f h SER 34 Ca 0.31 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2k0f h SER 34 Cb -0.02 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.28 2k0f h SER 34 CO -0.08 0.85 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.36 2k0f h LEU 35 N 0.97 -0.07 0.00 5.07 3.38 -0.91 -3.49 115.31 120.26 2k0f h LEU 35 Ca 0.23 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2k0f h LEU 35 Cb 0.20 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2k0f h LEU 35 CO -0.02 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.74 2k0f n GLY 36 N 0.96 -0.76 3.91 0.83 0.00 0.62 -5.10 105.19 105.64 2k0f n GLY 36 Ca -0.08 0.41 -0.27 0.00 0.00 0.00 0.00 46.02 46.08 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 3.58 -1.24 1.61 -1.52 -1.21 -4.68 119.66 116.19 2k0f s GLN 37 Ca 0.00 0.11 -0.15 0.00 -1.95 0.00 0.00 55.36 53.38 2k0f s GLN 37 Cb 0.00 -2.47 0.14 0.00 -0.22 0.00 0.00 33.01 30.46 2k0f s GLN 37 CO 0.00 -0.05 1.56 0.09 -0.25 0.00 0.00 175.29 176.64 2k0f n ASN 38 N -1.83 5.11 -4.80 5.90 3.02 -1.26 -2.95 115.26 118.46 2k0f n ASN 38 Ca -0.01 -2.97 -0.30 0.00 -0.03 0.00 0.00 54.58 51.28 2k0f n ASN 38 Cb 0.55 -1.61 0.09 0.00 -0.61 0.00 0.00 39.78 38.20 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 2.22 2.09 0.59 3.52 0.04 -1.26 -5.06 135.00 137.14 2k0f s PRO 39 Ca 0.46 0.65 -0.08 0.00 0.04 0.00 0.00 61.00 62.07 2k0f s PRO 39 Cb 0.00 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2k0f s PRO 39 CO 0.02 -1.62 0.94 0.95 0.04 0.00 0.00 177.00 177.33 2k0f s THR 40 N -3.15 4.16 -0.89 1.26 -4.23 -1.26 -4.99 115.64 106.55 2k0f s THR 40 Ca 0.61 0.34 0.27 0.00 -1.18 0.00 0.00 61.69 61.73 2k0f s THR 40 Cb -0.14 -3.65 0.17 0.00 1.34 0.00 0.00 72.50 70.21 2k0f s THR 40 CO 0.54 -0.74 1.69 -0.62 -0.54 0.00 0.00 174.62 174.94 2k0f n GLU 41 N -2.63 0.10 0.03 3.99 1.02 -1.26 -2.29 120.64 119.60 2k0f n GLU 41 Ca 0.04 0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 57.15 2k0f n GLU 41 Cb 0.56 -1.59 0.04 0.00 -0.02 0.00 0.00 31.44 30.43 2k0f n GLU 41 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k0f h ALA 42 N 2.82 0.65 0.00 0.62 0.00 -1.98 -2.14 119.26 119.24 2k0f h ALA 42 Ca 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 2k0f h ALA 42 Cb 0.59 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k0f h ALA 42 CO 0.00 0.72 -0.61 1.05 0.00 0.00 0.00 179.25 180.40 2k0f h GLU 43 N 0.36 0.00 0.00 0.00 4.11 -1.96 -3.14 114.58 113.95 2k0f h GLU 43 Ca -0.01 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.22 2k0f h GLU 43 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 2k0f h GLU 43 CO 0.11 0.08 -0.95 -0.07 0.07 0.00 0.00 179.01 178.26 2k0f h LEU 44 N 0.00 0.00 -1.16 3.06 3.38 -1.52 -3.18 115.31 115.89 2k0f h LEU 44 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2k0f h LEU 44 Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2k0f h LEU 44 CO 0.01 0.95 -0.09 -0.61 0.09 0.00 0.00 178.44 178.79 2k0f h GLN 45 N 0.00 0.48 -0.60 1.13 5.75 -1.43 -3.17 115.11 117.27 2k0f h GLN 45 Ca -0.01 -0.12 0.05 0.00 -0.15 0.00 0.00 58.65 58.42 2k0f h GLN 45 Cb 1.71 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 30.15 2k0f h GLN 45 CO 0.12 0.57 0.32 0.22 -2.65 0.00 0.00 178.83 177.42 2k0f h ASP 46 N 0.45 0.48 -0.91 -0.69 3.58 -1.52 0.14 116.42 117.95 2k0f h ASP 46 Ca 0.09 0.03 0.14 0.00 0.42 0.00 0.00 57.03 57.71 2k0f h ASP 46 Cb 0.43 -0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.34 2k0f h ASP 46 CO 0.02 0.32 0.58 0.24 -2.88 0.00 0.00 179.24 177.53 2k0f h MET 47 N 0.61 0.71 0.04 0.28 2.86 -1.62 -3.07 114.93 114.74 2k0f h MET 47 Ca 0.26 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2k0f h MET 47 Cb 0.15 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2k0f h MET 47 CO -0.16 0.47 -0.02 0.82 1.06 0.00 0.00 176.91 179.07 2k0f h ILE 48 N 0.73 1.33 -0.89 -1.22 2.04 -1.23 -3.27 117.51 114.99 2k0f h ILE 48 Ca 0.46 -1.64 0.23 0.00 1.00 0.00 0.00 64.86 64.91 2k0f h ILE 48 Cb 0.70 2.34 -0.13 0.00 -0.74 0.00 0.00 36.82 38.99 2k0f h ILE 48 CO -0.22 0.39 0.33 0.78 0.00 0.00 0.00 178.15 179.43 2k0f h ASN 49 N -0.84 0.19 -0.92 1.72 2.35 -0.70 -0.90 115.58 116.47 2k0f h ASN 49 Ca -0.01 0.17 0.05 0.00 -0.55 0.00 0.00 56.30 55.96 2k0f h ASN 49 Cb 0.68 0.19 -0.06 0.00 0.05 0.00 0.00 38.32 39.19 2k0f h ASN 49 CO 0.01 -0.08 0.60 -0.08 -1.65 0.00 0.00 177.43 176.23 2k0f h GLU 50 N 0.31 1.09 0.00 0.81 4.81 -1.59 -3.18 114.58 116.83 2k0f h GLU 50 Ca 0.56 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 2k0f h GLU 50 Cb 1.11 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2k0f h GLU 50 CO -0.58 0.72 -1.57 1.33 -0.73 0.00 0.00 179.01 178.17 2k0f n VAL 51 N -4.46 0.00 -1.70 0.32 0.24 -0.68 -4.87 118.33 107.18 2k0f n VAL 51 Ca 0.13 -0.30 -0.42 0.00 -2.04 0.00 0.00 64.34 61.70 2k0f n VAL 51 Cb 0.14 0.40 -0.03 0.00 -1.47 0.00 0.00 33.84 32.87 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -3.84 6.13 -0.17 -1.34 2.15 -0.43 -4.80 116.67 114.38 2k0f s ASP 52 Ca -0.02 2.33 -0.14 0.00 0.43 0.00 0.00 52.55 55.16 2k0f s ASP 52 Cb 0.14 -2.52 -0.22 0.00 -0.30 0.00 0.00 42.92 40.02 2k0f s ASP 52 CO 0.85 -1.35 0.26 0.00 -0.17 0.00 0.00 175.17 174.76 2k0f n ALA 53 N 8.91 0.86 0.07 3.66 0.00 -1.26 -4.68 120.51 128.06 2k0f n ALA 53 Ca 0.23 -0.57 -0.16 0.00 0.00 0.00 0.00 53.44 52.94 2k0f n ALA 53 Cb 0.43 -0.59 -0.07 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.48 0.63 0.00 0.00 3.04 -1.95 -3.48 116.42 114.17 2k0f h ASP 54 Ca -0.40 -0.53 0.00 0.00 -3.24 0.00 0.00 57.03 52.86 2k0f h ASP 54 Cb 1.67 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 39.77 2k0f h ASP 54 CO -0.08 1.33 0.00 0.61 -2.04 0.00 0.00 179.24 179.07 2k0f n GLY 55 N 1.07 1.14 0.11 7.15 0.00 -1.26 -5.00 105.19 108.41 2k0f n GLY 55 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.96 -3.48 115.58 118.83 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 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 56 CO 0.00 0.04 0.00 0.61 -2.08 0.00 0.00 177.43 176.00 2k0f n GLY 57 N 1.26 1.82 3.96 9.14 0.00 -1.26 -4.99 105.19 115.12 2k0f n GLY 57 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.57 4.99 -0.32 2.61 -4.23 -1.26 -4.77 115.64 109.09 2k0f s THR 58 Ca 0.00 -1.02 -0.15 0.00 -1.18 0.00 0.00 61.69 59.34 2k0f s THR 58 Cb 0.00 -3.75 -0.02 0.00 1.34 0.00 0.00 72.50 70.07 2k0f s THR 58 CO 0.00 -0.30 0.38 -0.51 -0.54 0.00 0.00 174.62 173.65 2k0f s ILE 59 N -2.03 5.16 0.57 2.99 2.07 -1.00 -4.92 121.20 124.04 2k0f s ILE 59 Ca 0.36 0.25 -0.03 0.00 -1.41 0.00 0.00 60.65 59.82 2k0f s ILE 59 Cb -0.09 -3.79 0.02 0.00 0.13 0.00 0.00 42.46 38.73 2k0f s ILE 59 CO 0.29 -0.02 0.83 -1.81 -1.91 0.00 0.00 174.94 172.33 2k0f s ASP 60 N 1.71 5.45 0.15 4.50 1.11 -1.26 -1.21 116.67 127.11 2k0f s ASP 60 Ca 0.13 0.40 -0.20 0.00 0.18 0.00 0.00 52.55 53.07 2k0f s ASP 60 Cb -0.16 -1.37 0.03 0.00 1.07 0.00 0.00 42.92 42.48 2k0f s ASP 60 CO 0.11 -1.08 1.67 0.15 1.18 0.00 0.00 175.17 177.20 2k0f h PHE 61 N -0.05 -0.30 0.00 4.23 3.57 -1.97 -2.25 116.94 120.16 2k0f h PHE 61 Ca -0.45 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2k0f h PHE 61 Cb 1.27 0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.19 2k0f h PHE 61 CO 0.42 -0.19 0.00 -0.35 -2.23 0.00 0.00 178.31 175.96 2k0f n PRO 62 N -5.29 0.05 -0.04 6.41 -0.04 -1.26 -2.81 135.00 132.01 2k0f n PRO 62 Ca -0.01 0.41 -0.19 0.00 -0.04 0.00 0.00 63.50 63.67 2k0f n PRO 62 Cb 0.21 -1.61 -0.13 0.00 -0.04 0.00 0.00 33.50 31.92 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k0f n GLU 63 N -1.70 0.72 -0.24 0.54 1.02 -0.90 -2.90 120.64 117.18 2k0f n GLU 63 Ca 0.02 0.22 0.04 0.00 -0.02 0.00 0.00 57.16 57.41 2k0f n GLU 63 Cb 0.11 -1.65 0.14 0.00 -0.02 0.00 0.00 31.44 30.02 2k0f n GLU 63 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2k0f h PHE 64 N 0.04 0.02 -0.98 -0.32 3.57 -1.34 -0.68 116.94 117.24 2k0f h PHE 64 Ca -0.47 0.05 0.31 0.00 3.53 0.00 0.00 57.97 61.40 2k0f h PHE 64 Cb 2.00 0.10 -0.18 0.00 2.79 0.00 0.00 35.95 40.67 2k0f h PHE 64 CO 0.06 -0.19 0.21 -0.07 -2.23 0.00 0.00 178.31 176.09 2k0f h LEU 65 N 0.14 -0.18 -0.36 0.59 3.38 -1.62 -0.59 115.31 116.68 2k0f h LEU 65 Ca 0.38 0.27 -0.19 0.00 0.09 0.00 0.00 57.88 58.43 2k0f h LEU 65 Cb 0.66 0.40 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2k0f h LEU 65 CO -0.59 -0.36 -0.66 0.74 0.09 0.00 0.00 178.44 177.66 2k0f h THR 66 N 0.03 1.32 -0.00 0.22 2.02 -1.00 -2.78 112.91 112.71 2k0f h THR 66 Ca 0.67 -1.94 -0.19 0.00 0.77 0.00 0.00 66.41 65.73 2k0f h THR 66 Cb 1.54 1.91 0.02 0.00 -1.74 0.00 0.00 68.15 69.87 2k0f h THR 66 CO -0.85 0.60 -0.75 -0.03 0.37 0.00 0.00 175.52 174.87 2k0f h MET 67 N 0.44 0.51 0.06 6.66 -1.53 -0.73 -3.29 114.93 117.05 2k0f h MET 67 Ca -0.02 -0.55 -0.08 0.00 -3.44 0.00 0.00 59.70 55.62 2k0f h MET 67 Cb 1.25 0.15 0.01 0.00 -0.55 0.00 0.00 31.60 32.46 2k0f h MET 67 CO 0.13 1.18 -0.34 0.52 0.14 0.00 0.00 176.91 178.53 2k0f h MET 68 N 0.07 0.13 -0.68 0.39 2.07 -1.28 -3.30 114.93 112.33 2k0f h MET 68 Ca -0.09 -0.22 0.00 0.00 -2.07 0.00 0.00 59.70 57.32 2k0f h MET 68 Cb 1.44 0.08 0.00 0.00 -1.87 0.00 0.00 31.60 31.25 2k0f h MET 68 CO 0.15 1.10 0.00 0.00 1.07 0.00 0.00 176.91 179.22 2k0f n ALA 69 N -2.63 2.64 -2.17 6.32 0.00 -1.05 -4.82 120.51 118.81 2k0f n ALA 69 Ca -0.12 -0.26 -0.40 0.00 0.00 0.00 0.00 53.44 52.66 2k0f n ALA 69 Cb 0.62 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.45 4.67 0.52 0.00 3.52 -1.24 -5.03 118.95 119.94 2k0f s ARG 70 Ca 0.08 1.33 -0.03 0.00 -0.13 0.00 0.00 55.73 56.99 2k0f s ARG 70 Cb 0.06 -3.34 0.11 0.00 -1.56 0.00 0.00 34.95 30.21 2k0f s ARG 70 CO 0.03 0.33 0.71 1.63 -0.81 0.00 0.00 175.30 177.20 2k0f n LYS 71 N 2.41 -0.11 -4.46 5.12 5.02 -1.26 -5.09 118.16 119.79 2k0f n LYS 71 Ca -0.01 -1.69 -0.22 0.00 -2.02 0.00 0.00 58.31 54.38 2k0f n LYS 71 Cb 0.49 -0.55 -0.11 0.00 -0.02 0.00 0.00 35.03 34.84 2k0f n LYS 71 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2k0f s MET 72 N -4.36 1.64 0.00 1.97 -2.45 -1.26 -5.11 119.30 109.73 2k0f s MET 72 Ca 0.45 -1.89 0.00 0.00 -1.25 0.00 0.00 55.69 53.00 2k0f s MET 72 Cb -0.02 -1.01 0.00 0.00 1.25 0.00 0.00 34.83 35.05 2k0f s MET 72 CO 0.30 -0.11 0.48 1.17 1.05 0.00 0.00 175.02 177.92 2k0f n LYS 73 N -0.68 0.00 0.00 4.11 4.81 -1.26 -4.94 118.16 120.21 2k0f n LYS 73 Ca -0.03 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 2k0f n LYS 73 Cb 0.66 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.70 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k0f n ASP 74 N -0.80 0.00 -4.54 3.14 8.00 -1.26 -4.90 116.55 116.19 2k0f n ASP 74 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 2k0f n ASP 74 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2k0f n ASP 74 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2k0f s THR 75 N 1.59 3.88 -0.11 -3.53 2.01 -1.26 -4.77 115.64 113.45 2k0f s THR 75 Ca 0.00 -0.04 0.12 0.00 0.31 0.00 0.00 61.69 62.08 2k0f s THR 75 Cb 0.00 -4.92 -0.17 0.00 0.01 0.00 0.00 72.50 67.42 2k0f s THR 75 CO 0.00 -1.82 0.08 -0.67 -0.69 0.00 0.00 174.62 171.53 2k0f n ASP 76 N 8.95 1.81 0.00 3.53 2.03 -1.26 -4.46 116.55 127.14 2k0f n ASP 76 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 2k0f n ASP 76 Cb 0.49 0.93 0.00 0.00 -0.72 0.00 0.00 41.12 41.83 2k0f n ASP 76 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2k0f n SER 77 N -2.41 0.00 -0.17 1.67 3.41 -1.26 -1.10 113.62 113.75 2k0f n SER 77 Ca -0.18 0.84 0.05 0.00 -0.26 0.00 0.00 58.87 59.31 2k0f n SER 77 Cb 0.84 -0.34 0.10 0.00 -0.26 0.00 0.00 64.21 64.56 2k0f n SER 77 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k0f n GLU 78 N -2.20 -0.04 0.16 4.33 -0.58 -1.26 -0.90 120.64 120.14 2k0f n GLU 78 Ca 0.00 0.75 -0.11 0.00 -0.42 0.00 0.00 57.16 57.39 2k0f n GLU 78 Cb 0.00 -1.16 -0.06 0.00 -0.57 0.00 0.00 31.44 29.65 2k0f n GLU 78 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2k0f h GLU 79 N 0.00 -0.44 -0.22 3.49 4.39 -1.72 -3.00 114.58 117.08 2k0f h GLU 79 Ca 0.26 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.93 2k0f h GLU 79 Cb 0.48 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2k0f h GLU 79 CO -0.49 -0.15 -0.11 1.49 -1.16 0.00 0.00 179.01 178.60 2k0f h GLU 80 N -1.00 0.46 0.02 2.33 4.81 0.56 -1.50 114.58 120.26 2k0f h GLU 80 Ca -0.05 -0.20 -0.21 0.00 -0.13 0.00 0.00 59.36 58.77 2k0f h GLU 80 Cb 0.50 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 2k0f h GLU 80 CO 0.08 0.74 -0.95 0.82 -0.73 0.00 0.00 179.01 178.97 2k0f h ILE 81 N 0.17 1.59 -0.45 2.32 2.04 -1.20 0.37 117.51 122.35 2k0f h ILE 81 Ca 0.05 -2.98 0.09 0.00 1.00 0.00 0.00 64.86 63.02 2k0f h ILE 81 Cb 0.61 2.66 -0.08 0.00 -0.74 0.00 0.00 36.82 39.27 2k0f h ILE 81 CO 0.03 0.86 -0.10 -0.09 0.00 0.00 0.00 178.15 178.85 2k0f h ARG 82 N 0.04 0.01 -0.20 2.37 2.43 -1.36 -0.67 114.38 117.00 2k0f h ARG 82 Ca -0.04 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 2k0f h ARG 82 Cb 1.64 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.17 2k0f h ARG 82 CO 0.14 0.01 -0.42 0.93 -1.51 0.00 0.00 179.97 179.11 2k0f h GLU 83 N 0.01 0.47 0.00 0.20 4.39 -1.06 -1.52 114.58 117.07 2k0f h GLU 83 Ca 0.22 -0.24 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 2k0f h GLU 83 Cb 0.33 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2k0f h GLU 83 CO -0.45 0.81 -0.31 0.00 -1.16 0.00 0.00 179.01 177.89 2k0f h ALA 84 N 1.16 1.20 0.10 3.43 0.00 -0.59 -2.39 119.26 122.18 2k0f h ALA 84 Ca 0.03 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 2k0f h ALA 84 Cb 0.90 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.66 2k0f h ALA 84 CO 0.08 0.39 -0.76 0.35 0.00 0.00 0.00 179.25 179.31 2k0f h PHE 85 N 0.00 0.57 -0.15 0.00 3.57 -1.13 -3.37 116.94 116.42 2k0f h PHE 85 Ca -0.00 -0.38 0.04 0.00 3.53 0.00 0.00 57.97 61.16 2k0f h PHE 85 Cb 0.68 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2k0f h PHE 85 CO 0.00 1.27 0.14 -0.09 -2.23 0.00 0.00 178.31 177.40 2k0f h ARG 86 N -0.29 0.00 -0.46 1.11 2.43 -0.76 -1.04 114.38 115.37 2k0f h ARG 86 Ca -0.12 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2k0f h ARG 86 Cb 1.56 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.09 2k0f h ARG 86 CO 0.15 0.00 0.27 0.28 -1.51 0.00 0.00 179.97 179.16 2k0f h VAL 87 N 0.00 1.15 0.61 0.20 2.07 -1.68 -3.30 116.25 115.30 2k0f h VAL 87 Ca 0.07 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 2k0f h VAL 87 Cb 0.36 0.54 0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2k0f h VAL 87 CO -0.00 0.15 -0.29 -0.26 0.02 0.00 0.00 177.57 177.19 2k0f h PHE 88 N 0.61 -0.76 -2.32 1.57 0.04 -1.71 -3.43 116.94 110.93 2k0f h PHE 88 Ca 0.17 -0.02 -0.53 0.00 2.80 0.00 0.00 57.97 60.39 2k0f h PHE 88 Cb 0.00 0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 2k0f h PHE 88 CO -0.03 -0.47 1.30 0.34 -0.60 0.00 0.00 178.31 178.85 2k0f s ASP 89 N -4.38 5.57 -0.07 2.17 2.15 -0.42 -4.76 116.67 116.94 2k0f s ASP 89 Ca -0.12 0.67 -0.13 0.00 0.43 0.00 0.00 52.55 53.41 2k0f s ASP 89 Cb 0.01 -2.53 -0.09 0.00 -0.30 0.00 0.00 42.92 40.01 2k0f s ASP 89 CO 0.36 -2.08 0.50 0.50 -0.17 0.00 0.00 175.17 174.28 2k0f h LYS 90 N 13.86 -0.23 -0.00 4.34 3.64 -1.84 -3.35 116.57 132.99 2k0f h LYS 90 Ca -0.28 0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 58.89 2k0f h LYS 90 Cb 1.16 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2k0f h LYS 90 CO 1.15 0.02 -0.93 0.38 -2.27 0.00 0.00 179.45 177.79 2k0f h ASP 91 N -1.01 0.53 0.00 4.20 3.04 -1.94 -3.48 116.42 117.77 2k0f h ASP 91 Ca -0.02 -0.42 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 2k0f h ASP 91 Cb 0.36 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 38.48 2k0f h ASP 91 CO 0.04 1.22 0.00 0.61 -2.04 0.00 0.00 179.24 179.07 2k0f n GLY 92 N 0.94 1.59 0.31 7.15 0.00 -1.26 -5.02 105.19 108.90 2k0f n GLY 92 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 1.16 0.00 1.61 0.23 -1.26 -4.91 115.26 112.08 2k0f n ASN 93 Ca 0.00 -1.05 0.00 0.00 -0.53 0.00 0.00 54.58 53.00 2k0f n ASN 93 Cb 0.00 0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 94 N 1.30 0.83 3.16 4.83 0.00 -1.26 -5.06 105.19 108.99 2k0f n GLY 94 Ca 0.14 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.51 -0.45 1.61 2.02 -1.26 -4.10 117.35 112.66 2k0f s TYR 95 Ca 0.00 1.10 -0.21 0.00 -0.37 0.00 0.00 57.07 57.60 2k0f s TYR 95 Cb 0.00 0.15 0.03 0.00 -0.40 0.00 0.00 41.96 41.74 2k0f s TYR 95 CO 0.00 -0.33 0.64 0.42 -1.57 0.00 0.00 175.55 174.72 2k0f s ILE 96 N 1.69 4.83 0.59 2.71 1.01 -0.71 -4.76 121.20 126.56 2k0f s ILE 96 Ca -0.07 0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.57 2k0f s ILE 96 Cb -0.10 -4.22 0.01 0.00 0.01 0.00 0.00 42.46 38.16 2k0f s ILE 96 CO -0.11 -0.63 0.90 -0.94 0.00 0.00 0.00 174.94 174.17 2k0f s SER 97 N 2.08 5.60 0.26 3.58 1.04 -1.26 -2.28 113.70 122.72 2k0f s SER 97 Ca 0.22 0.73 -0.03 0.00 0.48 0.00 0.00 55.95 57.35 2k0f s SER 97 Cb -0.15 -1.72 0.42 0.00 0.10 0.00 0.00 66.02 64.67 2k0f s SER 97 CO 0.18 -1.06 1.85 0.00 0.98 0.00 0.00 173.24 175.19 2k0f h ALA 98 N -0.18 1.33 0.05 5.32 0.00 -1.95 -0.20 119.26 123.63 2k0f h ALA 98 Ca -0.45 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.23 2k0f h ALA 98 Cb 1.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2k0f h ALA 98 CO 0.61 0.29 -1.04 0.00 0.00 0.00 0.00 179.25 179.11 2k0f h ALA 99 N 1.46 0.32 -0.70 0.00 0.00 -1.99 -1.55 119.26 116.80 2k0f h ALA 99 Ca 0.43 -0.80 0.01 0.00 0.00 0.00 0.00 54.91 54.55 2k0f h ALA 99 Cb 0.28 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2k0f h ALA 99 CO -0.21 0.96 0.46 0.93 0.00 0.00 0.00 179.25 181.39 2k0f h GLU 100 N 0.10 0.90 0.00 0.00 5.08 -1.81 -2.70 114.58 116.16 2k0f h GLU 100 Ca -0.08 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2k0f h GLU 100 Cb 1.72 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.77 2k0f h GLU 100 CO 0.16 0.60 -0.00 1.25 -1.00 0.00 0.00 179.01 180.02 2k0f h LEU 101 N 0.93 -0.00 -0.54 1.33 5.85 -0.82 -3.27 115.31 118.79 2k0f h LEU 101 Ca 0.26 -0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.05 2k0f h LEU 101 Cb -0.08 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 40.86 2k0f h LEU 101 CO -0.07 0.04 0.01 -0.09 -0.34 0.00 0.00 178.44 177.99 2k0f h ARG 102 N -0.05 0.12 -0.31 1.25 2.43 -1.25 -2.44 114.38 114.14 2k0f h ARG 102 Ca -0.00 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2k0f h ARG 102 Cb 0.05 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 2k0f h ARG 102 CO 0.00 0.08 0.08 1.25 -1.51 0.00 0.00 179.97 179.87 2k0f h HIS 103 N 0.13 0.14 -0.02 2.20 2.76 -1.57 -1.34 115.15 117.45 2k0f h HIS 103 Ca 0.28 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 2k0f h HIS 103 Cb 0.42 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.36 2k0f h HIS 103 CO -0.32 0.05 0.01 0.28 -1.30 0.00 0.00 177.93 176.65 2k0f h VAL 104 N 0.21 1.00 -0.71 5.26 2.07 -1.58 0.97 116.25 123.46 2k0f h VAL 104 Ca 0.14 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.60 2k0f h VAL 104 Cb 0.13 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2k0f h VAL 104 CO -0.17 0.00 0.22 0.24 0.02 0.00 0.00 177.57 177.89 2k0f h MET 105 N 0.03 1.10 -0.01 1.57 2.07 -0.91 -0.05 114.93 118.73 2k0f h MET 105 Ca 0.01 -0.24 -0.00 0.00 -2.07 0.00 0.00 59.70 57.40 2k0f h MET 105 Cb -0.00 -0.16 -0.00 0.00 -1.87 0.00 0.00 31.60 29.57 2k0f h MET 105 CO -0.00 0.95 0.01 1.15 1.07 0.00 0.00 176.91 180.08 2k0f h THR 106 N 1.05 1.09 0.00 2.22 2.02 -1.23 0.26 112.91 118.32 2k0f h THR 106 Ca 0.23 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2k0f h THR 106 Cb 0.31 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2k0f h THR 106 CO -0.01 0.07 0.00 0.78 0.37 0.00 0.00 175.52 176.73 2k0f h ASN 107 N -0.09 0.00 0.00 4.18 4.21 -0.38 -3.14 115.58 120.36 2k0f h ASN 107 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2k0f h ASN 107 Cb 0.11 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 2k0f h ASN 107 CO -0.00 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.32 2k0f n LEU 108 N -2.75 0.00 0.00 1.61 4.77 -0.07 -4.52 117.00 116.05 2k0f n LEU 108 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2k0f n LEU 108 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2k0f n LEU 108 CO 0.25 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 2k0f n GLY 109 N 0.83 0.00 3.13 -0.72 0.00 -0.38 -4.64 105.19 103.40 2k0f n GLY 109 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 1.85 -0.68 1.61 2.56 0.79 -4.74 118.70 120.09 2k0f s GLU 110 Ca 0.00 -0.60 -0.18 0.00 0.00 0.00 0.00 54.97 54.19 2k0f s GLU 110 Cb 0.00 -1.58 0.13 0.00 2.00 0.00 0.00 34.13 34.68 2k0f s GLU 110 CO 0.00 0.22 0.76 0.21 -0.56 0.00 0.00 175.26 175.89 2k0f s LYS 111 N 0.12 3.22 0.09 4.30 2.20 -1.26 -3.54 119.74 124.87 2k0f s LYS 111 Ca -0.06 -1.62 -0.04 0.00 -0.36 0.00 0.00 55.97 53.89 2k0f s LYS 111 Cb -0.12 -4.39 -0.05 0.00 -1.51 0.00 0.00 37.83 31.75 2k0f s LYS 111 CO 0.03 -1.52 0.31 -0.51 -0.36 0.00 0.00 175.35 173.30 2k0f s LEU 112 N 2.15 4.32 0.72 5.43 1.43 -1.26 -5.10 118.68 126.36 2k0f s LEU 112 Ca 0.15 0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 53.69 2k0f s LEU 112 Cb -0.19 -3.06 0.07 0.00 0.03 0.00 0.00 46.19 43.04 2k0f s LEU 112 CO 0.01 0.13 1.03 0.42 0.23 0.00 0.00 176.35 178.17 2k0f s THR 113 N -1.53 2.26 0.30 5.49 -4.23 -1.26 -4.96 115.64 111.71 2k0f s THR 113 Ca 0.36 -0.29 -0.01 0.00 -1.18 0.00 0.00 61.69 60.58 2k0f s THR 113 Cb -0.13 -2.97 0.19 0.00 1.34 0.00 0.00 72.50 70.94 2k0f s THR 113 CO 0.23 0.00 1.88 0.44 -0.54 0.00 0.00 174.62 176.64 2k0f h ASP 114 N -0.64 0.80 -0.59 3.99 5.19 -2.00 -2.02 116.42 121.14 2k0f h ASP 114 Ca -0.44 -0.10 0.12 0.00 -0.62 0.00 0.00 57.03 55.99 2k0f h ASP 114 Cb 1.31 -0.20 -0.10 0.00 0.18 0.00 0.00 39.33 40.52 2k0f h ASP 114 CO 0.57 0.71 0.03 -0.33 -3.12 0.00 0.00 179.24 177.10 2k0f h GLU 115 N 0.86 0.14 -0.13 3.56 3.07 -2.00 -2.86 114.58 117.23 2k0f h GLU 115 Ca 0.21 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.05 2k0f h GLU 115 Cb 0.15 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 2k0f h GLU 115 CO -0.02 0.09 0.06 0.93 -1.40 0.00 0.00 179.01 178.68 2k0f h GLU 116 N 0.15 0.19 0.04 2.33 5.08 -1.76 -1.09 114.58 119.51 2k0f h GLU 116 Ca 0.31 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.66 2k0f h GLU 116 Cb 0.48 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 2k0f h GLU 116 CO -0.48 0.24 -0.48 0.28 -1.00 0.00 0.00 179.01 177.58 2k0f h VAL 117 N 0.08 0.08 -0.49 3.13 2.07 -1.44 0.73 116.25 120.40 2k0f h VAL 117 Ca 0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.66 2k0f h VAL 117 Cb 0.12 0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 29.88 2k0f h VAL 117 CO -0.01 0.00 -0.00 -0.78 0.02 0.00 0.00 177.57 176.80 2k0f h ASP 118 N -0.65 -0.21 -0.59 0.57 3.58 -1.43 -1.70 116.42 115.98 2k0f h ASP 118 Ca 0.02 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 2k0f h ASP 118 Cb 0.70 0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.93 2k0f h ASP 118 CO -0.32 -0.07 0.34 -0.08 -2.88 0.00 0.00 179.24 176.23 2k0f h GLU 119 N 0.11 0.84 -0.34 0.28 4.81 -0.83 -1.99 114.58 117.46 2k0f h GLU 119 Ca 0.25 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2k0f h GLU 119 Cb 0.37 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2k0f h GLU 119 CO -0.41 0.61 0.20 0.52 -0.73 0.00 0.00 179.01 179.20 2k0f h MET 120 N 0.85 0.46 -0.15 1.92 2.86 -0.48 -0.85 114.93 119.54 2k0f h MET 120 Ca 0.22 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2k0f h MET 120 Cb 0.02 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2k0f h MET 120 CO -0.04 0.36 0.05 0.82 1.06 0.00 0.00 176.91 179.16 2k0f h ILE 121 N 0.43 1.17 -0.75 -1.22 1.08 -1.27 -2.11 117.51 114.85 2k0f h ILE 121 Ca 0.12 -0.53 0.17 0.00 -0.39 0.00 0.00 64.86 64.23 2k0f h ILE 121 Cb 0.02 1.24 -0.13 0.00 -3.07 0.00 0.00 36.82 34.89 2k0f h ILE 121 CO -0.02 0.16 0.06 -0.09 -0.69 0.00 0.00 178.15 177.57 2k0f h ARG 122 N 0.07 0.14 -0.14 2.37 2.43 -1.36 0.18 114.38 118.07 2k0f h ARG 122 Ca 0.05 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2k0f h ARG 122 Cb 0.21 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2k0f h ARG 122 CO -0.00 0.09 0.05 1.49 -1.51 0.00 0.00 179.97 180.09 2k0f h GLU 123 N 0.14 0.21 -0.08 0.20 4.81 -0.47 -2.74 114.58 116.66 2k0f h GLU 123 Ca 0.42 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.50 2k0f h GLU 123 Cb 0.74 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 2k0f h GLU 123 CO -0.62 0.33 -0.44 0.00 -0.73 0.00 0.00 179.01 177.55 2k0f h ALA 124 N 0.87 1.11 -2.19 2.92 0.00 -1.33 -3.44 119.26 117.20 2k0f h ALA 124 Ca 0.05 -0.43 -0.57 0.00 0.00 0.00 0.00 54.91 53.96 2k0f h ALA 124 Cb 0.20 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2k0f h ALA 124 CO -0.00 0.60 0.76 0.34 0.00 0.00 0.00 179.25 180.94 2k0f s ASP 125 N -6.88 7.07 -0.24 0.00 2.15 0.04 -4.61 116.67 114.20 2k0f s ASP 125 Ca -0.04 1.61 -0.09 0.00 0.43 0.00 0.00 52.55 54.45 2k0f s ASP 125 Cb 0.13 -2.55 -0.17 0.00 -0.30 0.00 0.00 42.92 40.04 2k0f s ASP 125 CO 0.77 -0.63 -0.13 -0.38 -0.17 0.00 0.00 175.17 174.63 2k0f n ILE 126 N 5.00 1.55 0.00 4.11 5.41 -1.26 -4.86 119.36 129.31 2k0f n ILE 126 Ca 0.12 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.44 2k0f n ILE 126 Cb 0.46 -1.74 0.00 0.00 -0.71 0.00 0.00 39.64 37.65 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2k0f n ASP 127 N -3.87 0.00 0.00 4.38 5.68 -1.26 -5.03 116.55 116.45 2k0f n ASP 127 Ca -0.45 0.10 0.00 0.00 -0.50 0.00 0.00 54.79 53.94 2k0f n ASP 127 Cb 0.91 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.89 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 1.50 0.00 0.18 6.12 0.00 -1.26 -5.02 105.19 106.72 2k0f n GLY 128 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.65 0.00 1.61 3.04 -1.97 -3.47 116.42 116.28 2k0f h ASP 129 Ca 0.00 -0.47 0.00 0.00 -3.24 0.00 0.00 57.03 53.32 2k0f h ASP 129 Cb 0.00 -0.20 0.00 0.00 -1.04 0.00 0.00 39.33 38.09 2k0f h ASP 129 CO 0.00 1.26 0.00 0.61 -2.04 0.00 0.00 179.24 179.07 2k0f n GLY 130 N 0.79 0.43 3.63 7.15 0.00 -1.26 -5.09 105.19 110.85 2k0f n GLY 130 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.88 2.72 -0.39 1.61 -0.21 -1.26 -4.76 119.66 116.49 2k0f s GLN 131 Ca 0.00 -0.61 -0.15 0.00 0.02 0.00 0.00 55.36 54.62 2k0f s GLN 131 Cb 0.00 -2.61 0.01 0.00 1.00 0.00 0.00 33.01 31.41 2k0f s GLN 131 CO 0.00 0.63 0.30 0.08 -2.12 0.00 0.00 175.29 174.18 2k0f s VAL 132 N -0.98 5.25 0.77 1.09 1.01 -0.97 -4.88 120.40 121.70 2k0f s VAL 132 Ca 0.16 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 2k0f s VAL 132 Cb -0.11 -3.89 0.18 0.00 0.00 0.00 0.00 36.38 32.55 2k0f s VAL 132 CO 0.07 -0.25 1.02 -0.46 0.00 0.00 0.00 175.10 175.47 2k0f n ASN 133 N 5.19 -0.03 -0.20 3.32 0.23 -1.26 -1.74 115.26 120.78 2k0f n ASN 133 Ca -0.11 -1.35 -0.01 0.00 -0.53 0.00 0.00 54.58 52.58 2k0f n ASN 133 Cb 0.48 -0.79 0.10 0.00 -2.08 0.00 0.00 39.78 37.49 2k0f n ASN 133 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 2k0f h TYR 134 N -1.64 0.47 0.00 -2.53 0.05 -1.98 -1.00 116.97 110.34 2k0f h TYR 134 Ca -0.33 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.42 2k0f h TYR 134 Cb 0.92 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.53 2k0f h TYR 134 CO 0.00 0.16 -0.25 0.93 -1.05 0.00 0.00 178.16 177.96 2k0f h GLU 135 N 0.48 0.00 0.09 4.88 5.08 -1.95 -1.98 114.58 121.18 2k0f h GLU 135 Ca 0.29 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.32 2k0f h GLU 135 Cb 0.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2k0f h GLU 135 CO -0.26 0.25 -1.86 0.39 -1.00 0.00 0.00 179.01 176.53 2k0f n GLU 136 N -4.17 0.71 -0.17 2.33 1.02 -0.97 -3.15 120.64 116.25 2k0f n GLU 136 Ca -0.02 0.33 -0.02 0.00 -0.02 0.00 0.00 57.16 57.43 2k0f n GLU 136 Cb 0.31 -1.71 0.07 0.00 -0.02 0.00 0.00 31.44 30.09 2k0f n GLU 136 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2k0f h PHE 137 N -0.19 -0.03 0.00 -0.32 3.57 -1.20 -0.25 116.94 118.52 2k0f h PHE 137 Ca -0.42 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.06 2k0f h PHE 137 Cb 1.86 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.69 2k0f h PHE 137 CO 0.08 -0.12 -0.28 -0.24 -2.23 0.00 0.00 178.31 175.52 2k0f h VAL 138 N 0.12 0.65 0.00 1.41 3.04 -1.47 -1.53 116.25 118.46 2k0f h VAL 138 Ca 0.27 -1.28 -0.08 0.00 -1.01 0.00 0.00 66.70 64.59 2k0f h VAL 138 Cb 0.41 1.85 -0.01 0.00 -2.01 0.00 0.00 31.29 31.52 2k0f h VAL 138 CO -0.44 0.27 -0.61 -0.61 -1.01 0.00 0.00 177.57 175.17 2k0f h GLN 139 N 0.00 0.00 -0.05 4.17 5.75 -1.44 -2.93 115.11 120.62 2k0f h GLN 139 Ca -0.00 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.37 2k0f h GLN 139 Cb 0.83 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.38 2k0f h GLN 139 CO 0.04 0.27 -0.46 1.98 -2.65 0.00 0.00 178.83 178.01 2k0f h MET 140 N 0.00 0.40 -0.67 1.69 4.05 -0.67 -3.36 114.93 116.37 2k0f h MET 140 Ca -0.03 -0.37 -0.05 0.00 -0.28 0.00 0.00 59.70 58.97 2k0f h MET 140 Cb 1.28 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 32.13 2k0f h MET 140 CO 0.04 1.02 0.22 0.52 0.23 0.00 0.00 176.91 178.93 2k0f h MET 141 N -0.09 1.04 -0.03 0.39 2.86 -1.27 -3.51 114.93 114.32 2k0f h MET 141 Ca -0.04 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2k0f h MET 141 Cb 1.14 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.65 2k0f h MET 141 CO 0.09 0.90 0.00 0.25 1.06 0.00 0.00 176.91 179.21