#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 0.02 0.00 -0.78 5.08 -2.05 -0.24 114.58 116.61 2k0f h GLU 2 Ca 0.00 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 2 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k0f h GLU 2 CO 0.00 0.01 -0.31 0.93 -1.00 0.00 0.00 179.01 178.64 2k0f h GLU 3 N 0.02 0.00 -0.02 2.33 3.07 -2.05 0.01 114.58 117.94 2k0f h GLU 3 Ca 0.32 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.06 2k0f h GLU 3 Cb 0.50 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.42 2k0f h GLU 3 CO -0.65 0.31 -0.44 0.37 -1.40 0.00 0.00 179.01 177.19 2k0f h GLN 4 N 0.00 0.34 -0.21 2.33 4.15 -1.89 -1.95 115.11 117.88 2k0f h GLN 4 Ca -0.00 -0.34 0.06 0.00 0.77 0.00 0.00 58.65 59.14 2k0f h GLN 4 Cb 0.64 0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.36 2k0f h GLN 4 CO 0.04 1.01 -0.23 0.82 -1.93 0.00 0.00 178.83 178.55 2k0f h ILE 5 N -0.21 0.43 -0.45 2.39 1.08 -0.88 -2.09 117.51 117.79 2k0f h ILE 5 Ca -0.05 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.51 2k0f h ILE 5 Cb 1.15 0.43 -0.10 0.00 -3.07 0.00 0.00 36.82 35.23 2k0f h ILE 5 CO 0.09 0.00 -0.28 0.00 -0.69 0.00 0.00 178.15 177.27 2k0f h ALA 6 N 0.79 -0.03 -0.91 1.87 0.00 -1.06 -0.66 119.26 119.26 2k0f h ALA 6 Ca 0.13 0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.42 2k0f h ALA 6 Cb 0.44 0.63 -0.14 0.00 0.00 0.00 0.00 17.79 18.72 2k0f h ALA 6 CO -0.35 -0.64 0.31 1.49 0.00 0.00 0.00 179.25 180.05 2k0f h GLU 7 N -0.18 0.23 0.11 0.00 4.57 -1.06 -0.43 114.58 117.82 2k0f h GLU 7 Ca 0.20 -0.01 -0.27 0.00 -1.18 0.00 0.00 59.36 58.10 2k0f h GLU 7 Cb 0.51 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 2k0f h GLU 7 CO -0.55 0.15 -1.23 0.74 -1.18 0.00 0.00 179.01 176.94 2k0f h PHE 8 N 0.24 0.41 -0.20 0.92 0.04 -0.72 -2.79 116.94 114.84 2k0f h PHE 8 Ca 0.59 -0.30 -0.09 0.00 2.80 0.00 0.00 57.97 60.97 2k0f h PHE 8 Cb 1.22 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.34 2k0f h PHE 8 CO -0.21 1.24 -0.27 0.87 -0.60 0.00 0.00 178.31 179.34 2k0f h LYS 9 N 0.06 0.38 0.00 1.51 1.79 0.01 -2.11 116.57 118.21 2k0f h LYS 9 Ca -0.12 -0.14 -0.14 0.00 -2.18 0.00 0.00 60.65 58.06 2k0f h LYS 9 Cb 1.95 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 32.55 2k0f h LYS 9 CO 0.19 0.62 -0.68 0.93 -1.08 0.00 0.00 179.45 179.43 2k0f h GLU 10 N 0.33 0.00 0.00 3.15 4.39 -1.16 -2.81 114.58 118.49 2k0f h GLU 10 Ca 0.05 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2k0f h GLU 10 Cb 0.66 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2k0f h GLU 10 CO 0.05 0.68 -0.10 0.00 -1.16 0.00 0.00 179.01 178.48 2k0f h ALA 11 N 1.32 0.99 -0.59 3.43 0.00 -1.25 -3.30 119.26 119.86 2k0f h ALA 11 Ca -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2k0f h ALA 11 Cb 1.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2k0f h ALA 11 CO 0.09 0.12 0.19 0.35 0.00 0.00 0.00 179.25 180.00 2k0f h PHE 12 N 0.00 0.95 -0.42 0.00 3.04 -1.13 -3.32 116.94 116.05 2k0f h PHE 12 Ca -0.00 -0.10 -0.06 0.00 3.98 0.00 0.00 57.97 61.80 2k0f h PHE 12 Cb 0.71 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.92 2k0f h PHE 12 CO 0.00 0.79 0.03 0.66 -2.02 0.00 0.00 178.31 177.77 2k0f h SER 13 N 0.83 0.63 -0.84 0.41 4.64 -1.60 0.08 113.55 117.69 2k0f h SER 13 Ca 0.19 -0.12 0.19 0.00 -0.47 0.00 0.00 61.79 61.57 2k0f h SER 13 Cb 0.28 -0.16 -0.11 0.00 -0.31 0.00 0.00 62.40 62.10 2k0f h SER 13 CO -0.01 0.68 0.34 -0.07 -0.87 0.00 0.00 176.83 176.90 2k0f h LEU 14 N 0.64 0.29 0.16 5.97 3.38 -1.77 -3.14 115.31 120.84 2k0f h LEU 14 Ca 0.13 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2k0f h LEU 14 Cb 0.35 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2k0f h LEU 14 CO 0.01 0.04 -0.08 -0.26 0.09 0.00 0.00 178.44 178.24 2k0f h PHE 15 N 0.41 -0.21 -3.11 1.13 -1.00 -1.39 -3.46 116.94 109.31 2k0f h PHE 15 Ca 0.50 -0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.69 2k0f h PHE 15 Cb 0.88 0.07 -0.06 0.00 3.61 0.00 0.00 35.95 40.44 2k0f h PHE 15 CO -0.16 -0.02 0.75 0.34 -1.61 0.00 0.00 178.31 177.61 2k0f s ASP 16 N -5.36 7.07 0.09 2.17 -1.08 -0.10 -4.84 116.67 114.62 2k0f s ASP 16 Ca -0.06 1.34 0.24 0.00 -0.52 0.00 0.00 52.55 53.55 2k0f s ASP 16 Cb 0.00 -2.53 0.26 0.00 -1.46 0.00 0.00 42.92 39.20 2k0f s ASP 16 CO 0.19 -0.64 1.23 0.29 0.52 0.00 0.00 175.17 176.76 2k0f n LYS 17 N 6.23 0.27 -0.08 4.34 4.76 -1.26 -4.38 118.16 128.05 2k0f n LYS 17 Ca 0.11 0.05 -0.07 0.00 -2.87 0.00 0.00 58.31 55.54 2k0f n LYS 17 Cb 0.46 -1.64 -0.02 0.00 -1.84 0.00 0.00 35.03 31.99 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k0f n ASP 18 N -2.03 1.87 0.00 4.39 8.00 -1.26 -5.01 116.55 122.51 2k0f n ASP 18 Ca 0.03 0.50 0.00 0.00 0.71 0.00 0.00 54.79 56.03 2k0f n ASP 18 Cb 0.43 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 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 1.55 1.07 0.20 0.44 0.00 -1.26 -5.03 105.19 102.16 2k0f n GLY 19 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 0.70 0.00 1.61 2.03 -1.94 -3.48 116.42 115.34 2k0f h ASP 20 Ca 0.00 -0.48 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 2k0f h ASP 20 Cb 0.00 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.30 2k0f h ASP 20 CO 0.00 1.04 0.00 0.61 -1.03 0.00 0.00 179.24 179.86 2k0f n GLY 21 N 0.20 1.36 3.32 7.15 0.00 -1.26 -5.07 105.19 110.88 2k0f n GLY 21 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N -2.00 2.03 -0.25 2.61 -4.23 -1.26 -2.07 115.64 110.47 2k0f s THR 22 Ca 0.00 -1.36 -0.07 0.00 -1.18 0.00 0.00 61.69 59.07 2k0f s THR 22 Cb 0.00 -1.74 -0.02 0.00 1.34 0.00 0.00 72.50 72.07 2k0f s THR 22 CO 0.00 0.31 0.07 -0.63 -0.54 0.00 0.00 174.62 173.82 2k0f s ILE 23 N -0.82 4.23 0.94 2.99 1.01 -0.72 -4.80 121.20 124.03 2k0f s ILE 23 Ca 0.11 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.37 2k0f s ILE 23 Cb -0.10 -2.99 0.17 0.00 0.01 0.00 0.00 42.46 39.55 2k0f s ILE 23 CO 0.02 0.32 1.23 0.42 0.00 0.00 0.00 174.94 176.94 2k0f s THR 24 N 1.60 1.96 0.20 2.92 -4.23 -1.26 -3.23 115.64 113.59 2k0f s THR 24 Ca 0.06 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.45 2k0f s THR 24 Cb -0.15 -2.91 0.14 0.00 1.34 0.00 0.00 72.50 70.93 2k0f s THR 24 CO 0.03 0.00 1.69 0.71 -0.54 0.00 0.00 174.62 176.51 2k0f h THR 25 N -1.57 0.60 -0.29 3.99 1.35 -1.90 -2.87 112.91 112.23 2k0f h THR 25 Ca -0.46 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2k0f h THR 25 Cb 1.28 0.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 2k0f h THR 25 CO 0.49 0.03 0.18 0.11 -0.25 0.00 0.00 175.52 176.08 2k0f h LYS 26 N 0.15 0.38 0.00 4.72 1.57 -1.94 -2.77 116.57 118.68 2k0f h LYS 26 Ca 0.27 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 2k0f h LYS 26 Cb 0.41 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2k0f h LYS 26 CO -0.43 0.27 -0.16 0.93 -0.57 0.00 0.00 179.45 179.49 2k0f h GLU 27 N 0.38 0.00 0.00 3.15 5.08 -1.84 -0.67 114.58 120.67 2k0f h GLU 27 Ca 0.10 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 27 Cb -0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k0f h GLU 27 CO -0.02 0.16 -0.40 -0.07 -1.00 0.00 0.00 179.01 177.68 2k0f h LEU 28 N 0.00 0.35 -1.57 1.33 3.38 -1.52 -3.23 115.31 114.05 2k0f h LEU 28 Ca -0.00 -0.77 0.21 0.00 0.09 0.00 0.00 57.88 57.40 2k0f h LEU 28 Cb 0.65 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 2k0f h LEU 28 CO 0.02 1.08 0.60 1.23 0.09 0.00 0.00 178.44 181.46 2k0f h GLY 29 N -0.34 0.76 1.24 0.83 0.00 -0.84 0.96 103.07 105.68 2k0f h GLY 29 Ca -0.05 -0.16 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 2k0f h GLY 29 CO 0.08 -0.01 -0.07 -0.84 0.00 0.00 0.00 176.54 175.70 2k0f h THR 30 N 0.35 1.26 -0.00 4.70 2.02 -1.46 -0.33 112.91 119.45 2k0f h THR 30 Ca 0.46 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 2k0f h THR 30 Cb 1.23 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 2k0f h THR 30 CO -0.16 0.41 -0.04 0.58 0.37 0.00 0.00 175.52 176.68 2k0f h VAL 31 N 0.82 1.60 0.00 3.16 2.07 -1.30 -2.70 116.25 119.89 2k0f h VAL 31 Ca 0.14 -1.82 -0.08 0.00 0.82 0.00 0.00 66.70 65.77 2k0f h VAL 31 Cb 0.58 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 2k0f h VAL 31 CO 0.04 0.48 -0.37 -0.03 0.02 0.00 0.00 177.57 177.70 2k0f h MET 32 N -0.72 0.00 -0.09 1.57 -1.53 -0.80 -2.01 114.93 111.35 2k0f h MET 32 Ca -0.00 0.00 -0.08 0.00 -3.44 0.00 0.00 59.70 56.17 2k0f h MET 32 Cb 0.80 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.84 2k0f h MET 32 CO 0.01 0.37 -0.32 -0.09 0.14 0.00 0.00 176.91 177.02 2k0f h ARG 33 N 0.00 0.18 -0.29 0.39 2.43 -1.05 0.44 114.38 116.47 2k0f h ARG 33 Ca -0.00 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 58.93 2k0f h ARG 33 Cb 0.71 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2k0f h ARG 33 CO 0.05 0.49 -0.51 1.03 -1.51 0.00 0.00 179.97 179.52 2k0f h SER 34 N 0.16 0.89 -0.29 -3.80 0.87 -1.03 -2.72 113.55 107.63 2k0f h SER 34 Ca 0.02 -0.46 -0.06 0.00 -1.23 0.00 0.00 61.79 60.06 2k0f h SER 34 Cb 0.66 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2k0f h SER 34 CO 0.05 1.24 -0.05 -0.07 -0.53 0.00 0.00 176.83 177.47 2k0f h LEU 35 N 0.63 0.55 0.00 2.23 3.38 -1.29 -3.44 115.31 117.37 2k0f h LEU 35 Ca 0.02 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2k0f h LEU 35 Cb 1.10 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2k0f h LEU 35 CO 0.11 0.77 0.00 0.61 0.09 0.00 0.00 178.44 180.02 2k0f n GLY 36 N -0.21 0.18 3.27 0.83 0.00 0.15 -4.99 105.19 104.43 2k0f n GLY 36 Ca -0.03 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 1.07 -0.57 1.61 -1.52 -0.98 -4.99 119.66 114.28 2k0f s GLN 37 Ca 0.00 -1.26 0.05 0.00 -1.95 0.00 0.00 55.36 52.20 2k0f s GLN 37 Cb 0.00 0.33 0.18 0.00 -0.22 0.00 0.00 33.01 33.30 2k0f s GLN 37 CO 0.00 -0.36 0.46 0.09 -0.25 0.00 0.00 175.29 175.23 2k0f n ASN 38 N -0.17 1.57 -4.37 5.90 3.02 -1.26 -3.59 115.26 116.36 2k0f n ASN 38 Ca -0.07 -2.88 -0.29 0.00 -0.03 0.00 0.00 54.58 51.31 2k0f n ASN 38 Cb 0.63 -0.67 0.21 0.00 -0.61 0.00 0.00 39.78 39.35 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 -0.95 -0.39 0.74 3.52 0.04 -1.26 -5.07 135.00 131.61 2k0f s PRO 39 Ca 0.30 0.35 -0.10 0.00 0.04 0.00 0.00 61.00 61.59 2k0f s PRO 39 Cb 0.02 -1.66 0.05 0.00 0.04 0.00 0.00 34.50 32.95 2k0f s PRO 39 CO -0.17 -3.25 1.09 0.95 0.04 0.00 0.00 177.00 175.67 2k0f s THR 40 N -2.89 2.60 0.16 1.26 -4.23 -1.26 -4.95 115.64 106.32 2k0f s THR 40 Ca 0.67 0.06 0.10 0.00 -1.18 0.00 0.00 61.69 61.34 2k0f s THR 40 Cb -0.17 -3.16 -0.09 0.00 1.34 0.00 0.00 72.50 70.42 2k0f s THR 40 CO 0.58 -0.20 1.46 1.05 -0.54 0.00 0.00 174.62 176.97 2k0f h GLU 41 N -0.76 0.00 -0.43 3.99 4.11 -1.98 -2.47 114.58 117.03 2k0f h GLU 41 Ca -0.45 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 58.90 2k0f h GLU 41 Cb 1.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 2k0f h GLU 41 CO 0.64 0.76 -0.05 0.00 0.07 0.00 0.00 179.01 180.43 2k0f h ALA 42 N 1.24 1.11 -0.48 1.06 0.00 -1.98 -1.81 119.26 118.40 2k0f h ALA 42 Ca -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2k0f h ALA 42 Cb 1.40 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2k0f h ALA 42 CO 0.10 0.56 0.20 0.93 0.00 0.00 0.00 179.25 181.04 2k0f h GLU 43 N 0.68 0.71 -0.96 0.00 5.08 -1.83 -2.19 114.58 116.06 2k0f h GLU 43 Ca 0.13 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 2k0f h GLU 43 Cb 0.49 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 2k0f h GLU 43 CO 0.02 0.63 0.62 -0.07 -1.00 0.00 0.00 179.01 179.21 2k0f h LEU 44 N 0.63 0.99 -0.92 1.33 3.38 -1.38 -1.15 115.31 118.18 2k0f h LEU 44 Ca 0.16 0.01 0.21 0.00 0.09 0.00 0.00 57.88 58.35 2k0f h LEU 44 Cb 0.17 -0.20 -0.12 0.00 0.09 0.00 0.00 40.66 40.61 2k0f h LEU 44 CO -0.02 0.63 0.47 -0.61 0.09 0.00 0.00 178.44 179.01 2k0f h GLN 45 N 1.12 0.51 -0.13 1.13 5.75 -1.26 -3.06 115.11 119.17 2k0f h GLN 45 Ca 0.41 -0.03 -0.22 0.00 -0.15 0.00 0.00 58.65 58.66 2k0f h GLN 45 Cb 0.16 -0.11 0.01 0.00 1.07 0.00 0.00 27.48 28.60 2k0f h GLN 45 CO -0.17 0.34 -0.80 0.22 -2.65 0.00 0.00 178.83 175.76 2k0f h ASP 46 N 0.52 0.88 -0.42 -0.69 3.58 -0.55 0.32 116.42 120.07 2k0f h ASP 46 Ca 0.56 -0.59 -0.08 0.00 0.42 0.00 0.00 57.03 57.34 2k0f h ASP 46 Cb 1.00 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 2k0f h ASP 46 CO -0.47 1.39 -0.06 0.24 -2.88 0.00 0.00 179.24 177.46 2k0f h MET 47 N 0.49 0.79 -0.46 0.28 2.86 -1.50 -2.49 114.93 114.90 2k0f h MET 47 Ca -0.06 -0.28 0.06 0.00 -2.06 0.00 0.00 59.70 57.36 2k0f h MET 47 Cb 1.43 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.98 2k0f h MET 47 CO 0.16 0.89 0.16 0.82 1.06 0.00 0.00 176.91 180.00 2k0f h ILE 48 N 0.62 0.85 -0.75 -1.22 2.04 -1.45 -3.07 117.51 114.51 2k0f h ILE 48 Ca 0.11 -0.11 0.21 0.00 1.00 0.00 0.00 64.86 66.07 2k0f h ILE 48 Cb 0.57 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 2k0f h ILE 48 CO 0.03 0.06 0.54 0.78 0.00 0.00 0.00 178.15 179.56 2k0f h ASN 49 N 0.33 0.03 0.04 1.72 2.35 0.11 0.24 115.58 120.39 2k0f h ASN 49 Ca 0.22 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2k0f h ASN 49 Cb 0.22 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2k0f h ASN 49 CO -0.22 0.01 -0.02 -0.08 -1.65 0.00 0.00 177.43 175.47 2k0f h GLU 50 N 0.03 -0.05 0.00 0.81 4.81 -1.43 -3.36 114.58 115.39 2k0f h GLU 50 Ca 0.36 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.51 2k0f h GLU 50 Cb 1.40 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 2k0f h GLU 50 CO -0.01 0.48 -0.42 -0.39 -0.73 0.00 0.00 179.01 177.94 2k0f h VAL 51 N -0.61 1.15 -1.33 0.32 -1.51 -1.41 -3.45 116.25 109.41 2k0f h VAL 51 Ca -0.01 -1.50 -0.60 0.00 -1.23 0.00 0.00 66.70 63.37 2k0f h VAL 51 Cb 0.55 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 2k0f h VAL 51 CO 0.01 0.41 1.50 -0.67 -1.23 0.00 0.00 177.57 177.59 2k0f n ASP 52 N -3.83 2.33 -0.09 4.19 2.03 0.01 -4.87 116.55 116.31 2k0f n ASP 52 Ca -0.01 0.18 -0.18 0.00 0.52 0.00 0.00 54.79 55.29 2k0f n ASP 52 Cb 0.47 -1.37 -0.10 0.00 -0.72 0.00 0.00 41.12 39.40 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f h ALA 53 N 14.35 0.18 -0.03 -1.67 0.00 -1.88 -3.42 119.26 126.79 2k0f h ALA 53 Ca -0.29 -0.97 -0.18 0.00 0.00 0.00 0.00 54.91 53.47 2k0f h ALA 53 Cb 1.29 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 2k0f h ALA 53 CO 1.05 0.54 -0.78 0.38 0.00 0.00 0.00 179.25 180.44 2k0f h ASP 54 N -1.00 0.32 0.00 0.00 3.04 -1.93 -3.47 116.42 113.38 2k0f h ASP 54 Ca -0.24 -0.23 0.00 0.00 -3.24 0.00 0.00 57.03 53.32 2k0f h ASP 54 Cb 1.12 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 39.31 2k0f h ASP 54 CO -0.15 0.98 0.00 0.61 -2.04 0.00 0.00 179.24 178.65 2k0f n GLY 55 N 0.66 1.50 0.09 7.15 0.00 -1.26 -4.99 105.19 108.33 2k0f n GLY 55 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.41 1.61 7.08 -1.95 -3.49 115.58 118.42 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 0.82 0.00 0.61 -2.08 0.00 0.00 177.43 176.78 2k0f n GLY 57 N 1.39 0.89 3.25 9.14 0.00 -1.26 -5.08 105.19 113.53 2k0f n GLY 57 Ca -0.06 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.41 0.07 -0.36 2.61 -4.23 -1.26 -4.80 115.64 105.26 2k0f s THR 58 Ca 0.00 -0.58 -0.20 0.00 -1.18 0.00 0.00 61.69 59.72 2k0f s THR 58 Cb 0.00 -0.82 0.00 0.00 1.34 0.00 0.00 72.50 73.02 2k0f s THR 58 CO 0.00 -0.32 0.64 -0.51 -0.54 0.00 0.00 174.62 173.89 2k0f s ILE 59 N -2.08 4.89 0.82 2.99 2.07 -1.20 -4.71 121.20 123.98 2k0f s ILE 59 Ca -0.08 0.58 -0.09 0.00 -1.41 0.00 0.00 60.65 59.65 2k0f s ILE 59 Cb -0.02 -4.08 0.14 0.00 0.13 0.00 0.00 42.46 38.63 2k0f s ILE 59 CO -0.00 -0.32 1.14 -1.81 -1.91 0.00 0.00 174.94 172.03 2k0f s ASP 60 N 1.80 3.95 0.24 4.50 1.11 -1.26 -1.75 116.67 125.26 2k0f s ASP 60 Ca 0.24 0.10 -0.06 0.00 0.18 0.00 0.00 52.55 53.02 2k0f s ASP 60 Cb -0.14 -0.41 0.31 0.00 1.07 0.00 0.00 42.92 43.75 2k0f s ASP 60 CO 0.15 -2.16 1.86 0.15 1.18 0.00 0.00 175.17 176.35 2k0f h PHE 61 N -1.01 1.02 0.00 4.23 3.57 -1.82 -0.81 116.94 122.12 2k0f h PHE 61 Ca -0.42 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.11 2k0f h PHE 61 Cb 1.27 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.67 2k0f h PHE 61 CO -0.46 0.55 0.00 -0.35 -2.23 0.00 0.00 178.31 175.82 2k0f n PRO 62 N -4.58 0.14 0.06 6.41 -0.04 -1.26 -0.76 135.00 134.96 2k0f n PRO 62 Ca 0.12 0.38 -0.23 0.00 -0.04 0.00 0.00 63.50 63.73 2k0f n PRO 62 Cb 0.14 -1.76 -0.15 0.00 -0.04 0.00 0.00 33.50 31.69 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 0.36 -0.31 0.54 5.08 -1.66 -3.18 114.58 115.41 2k0f h GLU 63 Ca 0.00 -0.62 0.04 0.00 -1.00 0.00 0.00 59.36 57.78 2k0f h GLU 63 Cb 0.32 0.23 -0.07 0.00 0.50 0.00 0.00 28.75 29.74 2k0f h GLU 63 CO 0.00 1.30 -0.46 0.35 -1.00 0.00 0.00 179.01 179.20 2k0f h PHE 64 N -0.04 -1.40 -0.82 4.33 3.57 -1.18 -2.17 116.94 119.23 2k0f h PHE 64 Ca -0.31 0.07 0.20 0.00 3.53 0.00 0.00 57.97 61.46 2k0f h PHE 64 Cb 1.98 0.65 -0.13 0.00 2.79 0.00 0.00 35.95 41.24 2k0f h PHE 64 CO 0.12 -0.41 0.15 1.25 -2.23 0.00 0.00 178.31 177.19 2k0f h LEU 65 N -0.35 -0.12 -0.30 0.59 6.46 -1.07 -1.82 115.31 118.70 2k0f h LEU 65 Ca 0.06 0.19 -0.12 0.00 -0.12 0.00 0.00 57.88 57.88 2k0f h LEU 65 Cb 0.50 0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.71 2k0f h LEU 65 CO -0.48 -0.15 -0.30 0.74 -0.62 0.00 0.00 178.44 177.64 2k0f h THR 66 N 0.18 1.30 0.00 1.05 2.02 -1.49 0.25 112.91 116.22 2k0f h THR 66 Ca 0.49 -1.46 -0.14 0.00 0.77 0.00 0.00 66.41 66.06 2k0f h THR 66 Cb 0.92 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 2k0f h THR 66 CO -0.64 0.47 -0.68 0.00 0.37 0.00 0.00 175.52 175.05 2k0f h MET 67 N 0.49 0.00 0.00 6.66 -0.00 -1.13 -3.28 114.93 117.67 2k0f h MET 67 Ca 0.05 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.56 2k0f h MET 67 Cb 0.87 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.44 2k0f h MET 67 CO 0.07 0.68 -0.88 0.52 -0.00 0.00 0.00 176.91 177.30 2k0f h MET 68 N 0.00 0.00 0.00 -0.10 2.07 -0.41 -3.29 114.93 113.20 2k0f h MET 68 Ca -0.01 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.62 2k0f h MET 68 Cb 1.42 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 31.15 2k0f h MET 68 CO 0.09 0.88 -0.04 0.00 1.07 0.00 0.00 176.91 178.91 2k0f h ALA 69 N 1.12 1.53 -1.50 6.32 0.00 -0.60 -3.45 119.26 122.68 2k0f h ALA 69 Ca -0.01 -0.03 -0.64 0.00 0.00 0.00 0.00 54.91 54.22 2k0f h ALA 69 Cb 1.61 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 2k0f h ALA 69 CO 0.11 0.05 1.36 -2.13 0.00 0.00 0.00 179.25 178.64 2k0f n ARG 70 N -3.90 1.51 -2.84 0.00 0.63 -1.24 -4.96 116.66 105.85 2k0f n ARG 70 Ca -0.03 0.45 -0.42 0.00 -0.92 0.00 0.00 57.85 56.94 2k0f n ARG 70 Cb 0.13 -2.68 -0.04 0.00 0.45 0.00 0.00 32.46 30.32 2k0f n ARG 70 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2k0f s LYS 71 N 5.75 4.20 0.47 -0.14 -0.14 -1.26 -5.05 119.74 123.57 2k0f s LYS 71 Ca 1.04 1.03 0.08 0.00 -1.36 0.00 0.00 55.97 56.76 2k0f s LYS 71 Cb -0.71 -3.64 0.03 0.00 -1.68 0.00 0.00 37.83 31.83 2k0f s LYS 71 CO 0.47 -0.54 0.62 -1.64 -0.76 0.00 0.00 175.35 173.50 2k0f s MET 72 N 2.90 2.63 0.48 1.68 -1.94 -1.26 -5.12 119.30 118.66 2k0f s MET 72 Ca 0.37 -1.41 -0.02 0.00 -1.71 0.00 0.00 55.69 52.92 2k0f s MET 72 Cb -0.15 -2.68 -0.01 0.00 2.01 0.00 0.00 34.83 34.00 2k0f s MET 72 CO 0.07 -0.45 0.73 -1.59 -0.01 0.00 0.00 175.02 173.77 2k0f s LYS 73 N -4.43 3.16 0.31 2.03 -2.85 -1.26 -4.88 119.74 111.82 2k0f s LYS 73 Ca 0.56 -0.24 0.05 0.00 -1.00 0.00 0.00 55.97 55.34 2k0f s LYS 73 Cb -0.08 -2.47 0.71 0.00 -2.06 0.00 0.00 37.83 33.93 2k0f s LYS 73 CO 0.34 -0.31 1.80 -0.44 0.10 0.00 0.00 175.35 176.85 2k0f h ASP 74 N 0.28 0.80 -0.47 0.03 5.19 -2.00 -1.06 116.42 119.20 2k0f h ASP 74 Ca -0.47 0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 55.97 2k0f h ASP 74 Cb 1.24 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.66 2k0f h ASP 74 CO 0.59 0.34 0.08 0.71 -3.12 0.00 0.00 179.24 177.84 2k0f h THR 75 N 0.81 1.25 -0.34 0.35 1.35 -1.98 -0.11 112.91 114.23 2k0f h THR 75 Ca 0.54 -0.90 -0.16 0.00 -0.55 0.00 0.00 66.41 65.35 2k0f h THR 75 Cb 0.79 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 2k0f h THR 75 CO -0.32 0.32 -0.41 0.44 -0.25 0.00 0.00 175.52 175.29 2k0f h ASP 76 N 0.64 0.91 -0.19 5.36 3.32 -1.77 -0.82 116.42 123.86 2k0f h ASP 76 Ca 0.14 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2k0f h ASP 76 Cb 0.38 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2k0f h ASP 76 CO 0.01 1.20 0.12 0.28 -1.72 0.00 0.00 179.24 179.13 2k0f h SER 77 N 0.69 0.21 -0.24 6.45 0.02 -0.99 0.14 113.55 119.82 2k0f h SER 77 Ca 0.05 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2k0f h SER 77 Cb 0.99 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 2k0f h SER 77 CO 0.10 0.15 0.12 -0.08 -1.14 0.00 0.00 176.83 175.98 2k0f h GLU 78 N 0.25 0.34 -0.69 3.45 4.81 -0.98 -2.10 114.58 119.65 2k0f h GLU 78 Ca 0.07 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2k0f h GLU 78 Cb -0.02 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 2k0f h GLU 78 CO -0.02 0.33 0.37 1.49 -0.73 0.00 0.00 179.01 180.44 2k0f h GLU 79 N 0.26 0.97 -0.52 1.92 4.81 -1.06 -2.87 114.58 118.09 2k0f h GLU 79 Ca 0.08 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2k0f h GLU 79 Cb 0.09 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 2k0f h GLU 79 CO -0.01 0.74 0.24 1.49 -0.73 0.00 0.00 179.01 180.74 2k0f h GLU 80 N 0.95 0.74 0.03 1.92 4.81 -0.50 0.72 114.58 123.25 2k0f h GLU 80 Ca 0.24 -0.09 -0.25 0.00 -0.13 0.00 0.00 59.36 59.13 2k0f h GLU 80 Cb 0.06 -0.14 0.02 0.00 0.63 0.00 0.00 28.75 29.32 2k0f h GLU 80 CO -0.04 0.58 -0.99 0.82 -0.73 0.00 0.00 179.01 178.65 2k0f h ILE 81 N 0.74 1.31 0.37 2.32 2.04 -1.22 -1.27 117.51 121.81 2k0f h ILE 81 Ca 0.18 -2.26 -0.00 0.00 1.00 0.00 0.00 64.86 63.78 2k0f h ILE 81 Cb 0.09 2.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 2k0f h ILE 81 CO -0.02 0.69 -0.35 0.03 0.00 0.00 0.00 178.15 178.49 2k0f h ARG 82 N 0.25 -0.71 -0.97 2.37 3.08 -1.25 -2.01 114.38 115.15 2k0f h ARG 82 Ca -0.13 0.05 0.27 0.00 0.07 0.00 0.00 59.98 60.23 2k0f h ARG 82 Cb 1.66 0.16 -0.14 0.00 0.08 0.00 0.00 29.97 31.74 2k0f h ARG 82 CO 0.19 -0.48 0.50 0.93 -1.07 0.00 0.00 179.97 180.05 2k0f h GLU 83 N -0.74 0.40 -0.39 0.04 4.39 -0.86 0.18 114.58 117.60 2k0f h GLU 83 Ca -0.03 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 2k0f h GLU 83 Cb 0.66 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2k0f h GLU 83 CO -0.05 0.26 0.02 0.00 -1.16 0.00 0.00 179.01 178.08 2k0f h ALA 84 N 1.78 1.31 -0.12 3.43 0.00 -0.98 -2.62 119.26 122.07 2k0f h ALA 84 Ca 0.65 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.28 2k0f h ALA 84 Cb 1.34 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2k0f h ALA 84 CO -0.55 0.47 -0.21 0.35 0.00 0.00 0.00 179.25 179.31 2k0f h PHE 85 N 0.58 0.43 -0.16 0.00 3.57 -0.46 -3.12 116.94 117.79 2k0f h PHE 85 Ca 0.12 -0.15 0.05 0.00 3.53 0.00 0.00 57.97 61.52 2k0f h PHE 85 Cb 0.34 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.93 2k0f h PHE 85 CO 0.01 0.82 -0.28 -0.09 -2.23 0.00 0.00 178.31 176.54 2k0f h ARG 86 N -0.07 -0.32 0.00 1.11 2.43 -0.69 -1.87 114.38 114.97 2k0f h ARG 86 Ca 0.01 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2k0f h ARG 86 Cb 0.78 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2k0f h ARG 86 CO 0.05 -0.21 0.00 -0.24 -1.51 0.00 0.00 179.97 178.05 2k0f h VAL 87 N -0.33 0.00 0.00 0.20 3.04 -1.57 -3.11 116.25 114.47 2k0f h VAL 87 Ca 0.11 -0.37 -0.11 0.00 -1.01 0.00 0.00 66.70 65.32 2k0f h VAL 87 Cb 0.50 1.23 -0.02 0.00 -2.01 0.00 0.00 31.29 30.99 2k0f h VAL 87 CO -0.35 0.00 -0.99 0.15 -1.01 0.00 0.00 177.57 175.37 2k0f h PHE 88 N 0.00 0.00 -3.14 3.17 3.57 -1.29 -3.45 116.94 115.79 2k0f h PHE 88 Ca 0.00 0.00 -0.56 0.00 3.53 0.00 0.00 57.97 60.94 2k0f h PHE 88 Cb 0.44 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 2k0f h PHE 88 CO 0.00 0.42 0.66 0.34 -2.23 0.00 0.00 178.31 177.50 2k0f s ASP 89 N -5.93 7.12 -0.07 0.41 -1.08 -0.80 -4.88 116.67 111.45 2k0f s ASP 89 Ca 0.00 1.68 -0.10 0.00 -0.52 0.00 0.00 52.55 53.61 2k0f s ASP 89 Cb 0.08 -2.56 -0.07 0.00 -1.46 0.00 0.00 42.92 38.92 2k0f s ASP 89 CO 0.78 -0.54 0.42 0.50 0.52 0.00 0.00 175.17 176.85 2k0f h LYS 90 N 7.35 -0.27 -0.05 4.34 3.64 -1.87 -3.37 116.57 126.34 2k0f h LYS 90 Ca -0.32 0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 58.93 2k0f h LYS 90 Cb 1.15 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2k0f h LYS 90 CO 0.88 -0.11 -0.63 0.38 -2.27 0.00 0.00 179.45 177.71 2k0f h ASP 91 N -1.05 0.20 0.00 4.20 3.04 -1.95 -3.48 116.42 117.37 2k0f h ASP 91 Ca -0.03 -0.12 0.00 0.00 -3.24 0.00 0.00 57.03 53.64 2k0f h ASP 91 Cb 0.29 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.52 2k0f h ASP 91 CO 0.05 0.77 0.00 0.61 -2.04 0.00 0.00 179.24 178.63 2k0f n GLY 92 N 0.30 1.59 0.13 7.15 0.00 -1.26 -5.05 105.19 108.05 2k0f n GLY 92 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 0.38 0.00 1.61 -1.07 -1.94 -3.49 115.58 111.07 2k0f h ASN 93 Ca 0.00 -0.85 0.00 0.00 0.07 0.00 0.00 56.30 55.52 2k0f h ASN 93 Cb 0.00 -0.12 0.00 0.00 -2.07 0.00 0.00 38.32 36.13 2k0f h ASN 93 CO 0.00 1.67 0.00 0.61 0.07 0.00 0.00 177.43 179.78 2k0f n GLY 94 N 1.77 0.56 3.05 9.14 0.00 -1.26 -5.11 105.19 113.33 2k0f n GLY 94 Ca -0.27 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.07 -1.41 -0.34 1.61 2.02 -1.26 -4.38 117.35 112.53 2k0f s TYR 95 Ca 0.00 0.96 -0.29 0.00 -0.37 0.00 0.00 57.07 57.37 2k0f s TYR 95 Cb 0.00 0.19 0.02 0.00 -0.40 0.00 0.00 41.96 41.77 2k0f s TYR 95 CO 0.00 -0.96 1.11 0.42 -1.57 0.00 0.00 175.55 174.55 2k0f s ILE 96 N 2.71 4.43 0.69 2.71 -1.09 -0.70 -4.80 121.20 125.16 2k0f s ILE 96 Ca 0.13 1.62 -0.03 0.00 -2.23 0.00 0.00 60.65 60.14 2k0f s ILE 96 Cb -0.13 -4.41 0.09 0.00 -1.58 0.00 0.00 42.46 36.44 2k0f s ILE 96 CO -0.25 -0.54 0.97 -0.94 -1.23 0.00 0.00 174.94 172.95 2k0f s SER 97 N 1.89 4.59 0.46 3.58 1.04 -1.26 -1.28 113.70 122.72 2k0f s SER 97 Ca 0.47 -0.06 0.12 0.00 0.48 0.00 0.00 55.95 56.96 2k0f s SER 97 Cb -0.12 -0.48 1.05 0.00 0.10 0.00 0.00 66.02 66.57 2k0f s SER 97 CO 0.18 -1.69 2.08 0.00 0.98 0.00 0.00 173.24 174.79 2k0f h ALA 98 N -0.47 1.82 -0.03 5.32 0.00 -1.93 -3.29 119.26 120.68 2k0f h ALA 98 Ca -0.40 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2k0f h ALA 98 Cb 1.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2k0f h ALA 98 CO 0.47 0.15 -0.10 0.00 0.00 0.00 0.00 179.25 179.77 2k0f h ALA 99 N 1.86 0.06 -0.20 0.00 0.00 -1.98 -1.57 119.26 117.42 2k0f h ALA 99 Ca 0.05 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.66 2k0f h ALA 99 Cb 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2k0f h ALA 99 CO -0.01 -0.06 -0.10 0.93 0.00 0.00 0.00 179.25 180.01 2k0f h GLU 100 N -0.44 -0.07 0.04 0.00 5.08 -1.96 -1.02 114.58 116.21 2k0f h GLU 100 Ca -0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 100 Cb 0.72 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2k0f h GLU 100 CO 0.02 -0.05 -0.02 1.25 -1.00 0.00 0.00 179.01 179.21 2k0f h LEU 101 N -0.08 -0.05 -0.73 1.33 6.46 -1.63 -1.49 115.31 119.12 2k0f h LEU 101 Ca 0.11 -0.59 0.17 0.00 -0.12 0.00 0.00 57.88 57.45 2k0f h LEU 101 Cb 0.24 0.01 -0.12 0.00 -0.73 0.00 0.00 40.66 40.06 2k0f h LEU 101 CO -0.25 0.60 0.05 -0.09 -0.62 0.00 0.00 178.44 178.12 2k0f h ARG 102 N -0.73 0.13 -0.90 1.25 2.43 -1.20 0.23 114.38 115.60 2k0f h ARG 102 Ca -0.01 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2k0f h ARG 102 Cb 0.63 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 2k0f h ARG 102 CO 0.01 0.09 0.56 1.25 -1.51 0.00 0.00 179.97 180.36 2k0f h HIS 103 N 0.14 1.17 0.22 2.20 2.76 -1.15 0.15 115.15 120.65 2k0f h HIS 103 Ca 0.41 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.58 2k0f h HIS 103 Cb 0.71 -0.39 -0.04 0.00 1.55 0.00 0.00 27.41 29.24 2k0f h HIS 103 CO -0.38 0.77 -0.52 0.28 -1.30 0.00 0.00 177.93 176.78 2k0f h VAL 104 N 1.24 0.00 -0.08 5.26 2.07 -0.14 -3.16 116.25 121.44 2k0f h VAL 104 Ca 0.33 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.84 2k0f h VAL 104 Cb -0.07 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.69 2k0f h VAL 104 CO -0.06 0.00 0.05 0.24 0.02 0.00 0.00 177.57 177.81 2k0f h MET 105 N -0.82 0.10 0.00 1.57 2.07 -0.19 -0.38 114.93 117.28 2k0f h MET 105 Ca -0.02 -0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.59 2k0f h MET 105 Cb 0.79 -0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 30.50 2k0f h MET 105 CO -0.23 0.10 -0.05 1.79 1.07 0.00 0.00 176.91 179.60 2k0f h THR 106 N 0.07 0.56 -0.02 2.22 1.35 -0.85 0.21 112.91 116.46 2k0f h THR 106 Ca 0.03 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 2k0f h THR 106 Cb 0.02 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 2k0f h THR 106 CO -0.01 0.05 -0.40 0.59 -0.25 0.00 0.00 175.52 175.51 2k0f n ASN 107 N -3.79 2.20 -0.53 5.36 3.02 -1.01 -2.75 115.26 117.75 2k0f n ASN 107 Ca -0.03 -1.60 0.13 0.00 -0.03 0.00 0.00 54.58 53.06 2k0f n ASN 107 Cb 0.14 0.39 0.37 0.00 -0.61 0.00 0.00 39.78 40.07 2k0f n ASN 107 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2k0f n LEU 108 N 0.21 1.76 0.00 3.41 4.77 -0.18 -4.91 117.00 122.05 2k0f n LEU 108 Ca 0.10 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 2k0f n LEU 108 Cb 0.49 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2k0f n LEU 108 CO 0.26 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 2k0f n GLY 109 N 1.26 0.73 3.82 -0.72 0.00 -0.82 -4.88 105.19 104.60 2k0f n GLY 109 Ca 0.16 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.67 3.91 -0.63 1.61 0.41 0.64 -4.98 118.70 116.98 2k0f s GLU 110 Ca 0.00 0.31 -0.02 0.00 -0.41 0.00 0.00 54.97 54.85 2k0f s GLU 110 Cb 0.00 -3.25 0.28 0.00 -1.78 0.00 0.00 34.13 29.37 2k0f s GLU 110 CO 0.00 0.62 2.23 1.63 -0.49 0.00 0.00 175.26 179.26 2k0f n LYS 111 N 2.14 2.52 -2.83 1.61 5.02 -1.26 -4.15 118.16 121.21 2k0f n LYS 111 Ca -0.14 -2.89 -0.40 0.00 -2.02 0.00 0.00 58.31 52.85 2k0f n LYS 111 Cb 0.53 -2.15 -0.05 0.00 -0.02 0.00 0.00 35.03 33.33 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k0f s LEU 112 N -3.21 4.50 0.00 -0.35 1.02 -1.26 -5.08 118.68 114.30 2k0f s LEU 112 Ca 0.54 1.68 -0.01 0.00 0.02 0.00 0.00 54.13 56.36 2k0f s LEU 112 Cb 0.41 -3.45 0.04 0.00 0.02 0.00 0.00 46.19 43.21 2k0f s LEU 112 CO -0.22 -0.01 0.25 0.35 0.02 0.00 0.00 176.35 176.74 2k0f n THR 113 N 2.64 0.00 -0.14 5.49 -2.24 -1.26 -4.90 114.28 113.87 2k0f n THR 113 Ca -0.00 -0.36 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 2k0f n THR 113 Cb 0.49 -1.36 0.05 0.00 -2.10 0.00 0.00 70.33 67.42 2k0f n THR 113 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 114 N -0.19 0.92 0.48 3.42 5.19 -1.99 -1.63 116.42 122.64 2k0f h ASP 114 Ca -0.08 -0.32 -0.01 0.00 -0.62 0.00 0.00 57.03 55.99 2k0f h ASP 114 Cb 0.29 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.53 2k0f h ASP 114 CO 0.08 1.08 -0.45 -0.33 -3.12 0.00 0.00 179.24 176.50 2k0f h GLU 115 N 0.80 -0.91 0.11 3.56 3.07 -1.99 -1.21 114.58 118.01 2k0f h GLU 115 Ca 0.11 0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 59.04 2k0f h GLU 115 Cb 0.72 0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 2k0f h GLU 115 CO 0.06 -0.60 -0.08 0.93 -1.40 0.00 0.00 179.01 177.91 2k0f h GLU 116 N -0.94 -0.18 -0.64 2.33 5.08 -1.83 -0.18 114.58 118.22 2k0f h GLU 116 Ca -0.05 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.42 2k0f h GLU 116 Cb 0.82 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 29.99 2k0f h GLU 116 CO -0.05 -0.12 -0.39 0.28 -1.00 0.00 0.00 179.01 177.73 2k0f h VAL 117 N -0.19 0.11 -0.50 3.13 2.07 -1.32 -1.13 116.25 118.42 2k0f h VAL 117 Ca -0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 2k0f h VAL 117 Cb 0.17 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 2k0f h VAL 117 CO -0.00 0.00 0.05 -0.78 0.02 0.00 0.00 177.57 176.86 2k0f h ASP 118 N -0.17 0.82 -0.62 0.57 3.58 -1.04 -2.74 116.42 116.82 2k0f h ASP 118 Ca 0.22 -0.28 0.10 0.00 0.42 0.00 0.00 57.03 57.49 2k0f h ASP 118 Cb 0.56 -0.22 -0.11 0.00 1.72 0.00 0.00 39.33 41.28 2k0f h ASP 118 CO -0.72 0.89 -0.41 -0.08 -2.88 0.00 0.00 179.24 176.04 2k0f h GLU 119 N 0.72 -0.18 -0.28 0.28 4.81 -0.36 -0.37 114.58 119.20 2k0f h GLU 119 Ca 0.15 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.45 2k0f h GLU 119 Cb 0.44 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 2k0f h GLU 119 CO 0.01 -0.12 -0.06 0.52 -0.73 0.00 0.00 179.01 178.64 2k0f h MET 120 N -0.19 0.01 0.21 1.92 2.86 -1.06 0.24 114.93 118.92 2k0f h MET 120 Ca 0.21 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 2k0f h MET 120 Cb 0.56 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2k0f h MET 120 CO -0.71 0.01 -0.10 0.82 1.06 0.00 0.00 176.91 177.99 2k0f h ILE 121 N 0.02 0.82 -0.86 -1.22 1.08 -1.09 -2.91 117.51 113.35 2k0f h ILE 121 Ca 0.13 -0.10 0.07 0.00 -0.39 0.00 0.00 64.86 64.58 2k0f h ILE 121 Cb 0.20 0.88 -0.06 0.00 -3.07 0.00 0.00 36.82 34.76 2k0f h ILE 121 CO -0.27 0.02 0.53 0.03 -0.69 0.00 0.00 178.15 177.76 2k0f h ARG 122 N -0.32 0.91 -0.50 2.37 2.47 -1.00 0.85 114.38 119.16 2k0f h ARG 122 Ca -0.03 -0.05 0.10 0.00 -1.26 0.00 0.00 59.98 58.74 2k0f h ARG 122 Cb 0.25 -0.21 -0.10 0.00 -1.65 0.00 0.00 29.97 28.26 2k0f h ARG 122 CO 0.05 0.60 -0.19 1.49 0.56 0.00 0.00 179.97 182.48 2k0f h GLU 123 N 0.94 -0.07 0.13 0.04 4.81 -0.52 -3.31 114.58 116.60 2k0f h GLU 123 Ca 0.38 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.43 2k0f h GLU 123 Cb 0.22 0.02 0.02 0.00 0.63 0.00 0.00 28.75 29.64 2k0f h GLU 123 CO -0.19 -0.05 -0.82 0.00 -0.73 0.00 0.00 179.01 177.22 2k0f h ALA 124 N 1.33 -0.07 -1.76 2.92 0.00 -1.19 -3.44 119.26 117.04 2k0f h ALA 124 Ca 0.24 -0.69 -0.54 0.00 0.00 0.00 0.00 54.91 53.92 2k0f h ALA 124 Cb 0.44 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2k0f h ALA 124 CO -0.55 0.39 1.56 -3.47 0.00 0.00 0.00 179.25 177.17 2k0f n ASP 125 N -4.12 2.79 -0.06 0.00 2.03 0.24 -4.83 116.55 112.59 2k0f n ASP 125 Ca -0.13 -0.09 -0.09 0.00 0.52 0.00 0.00 54.79 55.00 2k0f n ASP 125 Cb 0.82 -1.55 -0.08 0.00 -0.72 0.00 0.00 41.12 39.59 2k0f n ASP 125 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2k0f h ILE 126 N 7.40 1.11 0.47 5.18 2.04 -1.86 -3.42 117.51 128.42 2k0f h ILE 126 Ca -0.33 -1.84 -0.02 0.00 1.00 0.00 0.00 64.86 63.67 2k0f h ILE 126 Cb 1.26 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 2k0f h ILE 126 CO 1.05 0.38 -0.22 -2.24 0.00 0.00 0.00 178.15 177.11 2k0f h ASP 127 N -1.00 -0.53 0.00 1.72 3.04 -1.95 -3.48 116.42 114.22 2k0f h ASP 127 Ca -0.00 -0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.73 2k0f h ASP 127 Cb 0.62 0.14 0.00 0.00 -1.04 0.00 0.00 39.33 39.05 2k0f h ASP 127 CO -0.00 -0.12 0.00 0.61 -2.04 0.00 0.00 179.24 177.69 2k0f n GLY 128 N -0.12 -0.71 0.09 7.15 0.00 -1.26 -5.05 105.19 105.29 2k0f n GLY 128 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 0.13 0.00 1.61 3.04 -1.93 -3.49 116.42 115.78 2k0f h ASP 129 Ca 0.00 -0.21 0.00 0.00 -3.24 0.00 0.00 57.03 53.58 2k0f h ASP 129 Cb 0.00 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 38.25 2k0f h ASP 129 CO 0.00 1.18 0.00 0.61 -2.04 0.00 0.00 179.24 178.99 2k0f n GLY 130 N 1.57 1.18 3.22 7.15 0.00 -1.26 -5.09 105.19 111.96 2k0f n GLY 130 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.45 0.59 -0.39 1.61 -0.21 -1.26 -4.76 119.66 114.79 2k0f s GLN 131 Ca 0.00 -0.09 -0.18 0.00 0.02 0.00 0.00 55.36 55.11 2k0f s GLN 131 Cb 0.00 0.27 0.01 0.00 1.00 0.00 0.00 33.01 34.28 2k0f s GLN 131 CO 0.00 -0.15 0.52 0.08 -2.12 0.00 0.00 175.29 173.62 2k0f s VAL 132 N -1.04 4.99 0.09 1.09 1.01 -0.40 -4.81 120.40 121.33 2k0f s VAL 132 Ca -0.11 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 2k0f s VAL 132 Cb -0.05 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.31 2k0f s VAL 132 CO 0.03 -0.36 0.12 -0.46 0.00 0.00 0.00 175.10 174.43 2k0f n ASN 133 N 5.83 0.14 -0.12 3.32 0.23 -1.26 -1.71 115.26 121.67 2k0f n ASN 133 Ca -0.05 -1.12 -0.10 0.00 -0.53 0.00 0.00 54.58 52.78 2k0f n ASN 133 Cb 0.48 -0.08 -0.02 0.00 -2.08 0.00 0.00 39.78 38.08 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N -0.50 0.67 -0.31 -2.53 3.20 -1.98 0.84 116.97 116.37 2k0f h TYR 134 Ca -0.04 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.70 2k0f h TYR 134 Cb 0.14 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 2k0f h TYR 134 CO 0.00 0.71 0.13 1.49 -1.64 0.00 0.00 178.16 178.85 2k0f h GLU 135 N 0.44 0.47 -0.65 1.82 4.81 -1.97 0.22 114.58 119.73 2k0f h GLU 135 Ca 0.10 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 135 Cb 0.43 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 2k0f h GLU 135 CO 0.02 0.47 0.41 0.93 -0.73 0.00 0.00 179.01 180.10 2k0f h GLU 136 N 0.36 0.86 0.64 1.92 5.08 -1.85 -1.20 114.58 120.38 2k0f h GLU 136 Ca 0.10 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 136 Cb 0.18 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k0f h GLU 136 CO -0.01 0.59 -0.31 0.35 -1.00 0.00 0.00 179.01 178.63 2k0f h PHE 137 N 0.88 -0.79 -0.47 4.33 3.57 0.33 -1.55 116.94 123.24 2k0f h PHE 137 Ca 0.24 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 2k0f h PHE 137 Cb -0.07 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2k0f h PHE 137 CO 0.00 -0.46 0.00 0.28 -2.23 0.00 0.00 178.31 175.90 2k0f h VAL 138 N -0.97 1.24 -0.06 1.41 2.07 -0.96 -3.02 116.25 115.97 2k0f h VAL 138 Ca -0.09 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 2k0f h VAL 138 Cb 0.69 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2k0f h VAL 138 CO 0.14 0.35 0.00 -0.61 0.02 0.00 0.00 177.57 177.47 2k0f h GLN 139 N 0.72 0.10 -0.91 1.57 5.75 -0.99 -2.98 115.11 118.36 2k0f h GLN 139 Ca 0.14 -0.03 0.25 0.00 -0.15 0.00 0.00 58.65 58.87 2k0f h GLN 139 Cb 0.44 -0.01 -0.14 0.00 1.07 0.00 0.00 27.48 28.84 2k0f h GLN 139 CO 0.02 0.35 0.32 1.98 -2.65 0.00 0.00 178.83 178.85 2k0f h MET 140 N -0.17 0.24 -0.00 1.69 4.05 -1.32 -3.20 114.93 116.22 2k0f h MET 140 Ca 0.02 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2k0f h MET 140 Cb 0.31 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.05 2k0f h MET 140 CO 0.00 0.16 -0.56 -1.33 0.23 0.00 0.00 176.91 175.41 2k0f n MET 141 N -5.18 0.16 0.00 0.39 2.81 -1.14 -5.12 117.12 109.04 2k0f n MET 141 Ca 0.24 -0.11 0.16 0.00 -1.81 0.00 0.00 57.70 56.18 2k0f n MET 141 Cb 0.75 -1.50 0.92 0.00 -0.71 0.00 0.00 33.22 32.68 2k0f n MET 141 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89