#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 0.03 0.00 1.09 3.07 -2.05 -2.02 114.58 114.70 2k0f h GLU 2 Ca 0.00 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 2k0f h GLU 2 Cb 0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2k0f h GLU 2 CO 0.00 0.02 -0.19 1.49 -1.40 0.00 0.00 179.01 178.93 2k0f h GLU 3 N 0.03 0.00 0.02 2.33 4.81 -2.05 0.13 114.58 119.84 2k0f h GLU 3 Ca 0.72 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.66 2k0f h GLU 3 Cb 1.71 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.05 2k0f h GLU 3 CO -0.82 0.19 -1.65 0.37 -0.73 0.00 0.00 179.01 176.37 2k0f h GLN 4 N 0.00 0.03 -0.64 1.92 4.15 -1.80 -2.57 115.11 116.20 2k0f h GLN 4 Ca -0.00 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.27 2k0f h GLN 4 Cb 0.37 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 2k0f h GLN 4 CO 0.03 0.63 0.05 0.82 -1.93 0.00 0.00 178.83 178.42 2k0f h ILE 5 N 0.01 1.26 0.00 2.39 1.08 -0.85 0.17 117.51 121.57 2k0f h ILE 5 Ca -0.27 -1.10 0.00 0.00 -0.39 0.00 0.00 64.86 63.11 2k0f h ILE 5 Cb 1.99 0.71 0.00 0.00 -3.07 0.00 0.00 36.82 36.46 2k0f h ILE 5 CO 0.09 0.40 0.00 0.00 -0.69 0.00 0.00 178.15 177.95 2k0f h ALA 6 N 1.04 1.00 0.11 1.87 0.00 -0.82 -1.02 119.26 121.44 2k0f h ALA 6 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.81 2k0f h ALA 6 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2k0f h ALA 6 CO 0.02 0.00 -1.47 1.49 0.00 0.00 0.00 179.25 179.29 2k0f h GLU 7 N 0.00 0.24 -0.17 0.00 4.57 -0.89 -3.27 114.58 115.06 2k0f h GLU 7 Ca 0.00 -0.41 -0.09 0.00 -1.18 0.00 0.00 59.36 57.69 2k0f h GLU 7 Cb 0.50 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2k0f h GLU 7 CO 0.00 1.19 -0.28 0.74 -1.18 0.00 0.00 179.01 179.49 2k0f h PHE 8 N -0.29 0.35 -0.68 0.92 0.04 -0.97 -1.95 116.94 114.36 2k0f h PHE 8 Ca -0.32 -0.07 0.14 0.00 2.80 0.00 0.00 57.97 60.52 2k0f h PHE 8 Cb 1.77 -0.09 -0.10 0.00 2.20 0.00 0.00 35.95 39.74 2k0f h PHE 8 CO 0.12 0.57 0.16 -0.22 -0.60 0.00 0.00 178.31 178.34 2k0f h LYS 9 N 0.28 0.27 0.15 1.51 3.11 -1.30 0.24 116.57 120.83 2k0f h LYS 9 Ca 0.04 -0.02 -0.30 0.00 -2.81 0.00 0.00 60.65 57.56 2k0f h LYS 9 Cb 0.64 -0.06 0.03 0.00 -1.00 0.00 0.00 32.23 31.83 2k0f h LYS 9 CO 0.05 0.18 -1.30 0.93 -2.81 0.00 0.00 179.45 176.50 2k0f h GLU 10 N 0.28 0.56 -0.75 1.90 4.39 -1.56 -2.65 114.58 116.76 2k0f h GLU 10 Ca 0.37 -0.81 0.15 0.00 0.34 0.00 0.00 59.36 59.41 2k0f h GLU 10 Cb 0.60 0.28 -0.10 0.00 -0.10 0.00 0.00 28.75 29.43 2k0f h GLU 10 CO -0.46 1.37 0.27 0.00 -1.16 0.00 0.00 179.01 179.03 2k0f h ALA 11 N 0.31 1.03 -0.05 3.43 0.00 -1.30 -0.12 119.26 122.57 2k0f h ALA 11 Ca -0.20 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k0f h ALA 11 Cb 1.97 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.89 2k0f h ALA 11 CO 0.24 -0.25 0.03 0.35 0.00 0.00 0.00 179.25 179.62 2k0f h PHE 12 N 0.40 0.06 0.00 0.00 3.04 -0.93 -3.18 116.94 116.33 2k0f h PHE 12 Ca 0.41 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.34 2k0f h PHE 12 Cb 0.65 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.14 2k0f h PHE 12 CO -0.19 0.08 -0.09 0.77 -2.02 0.00 0.00 178.31 176.86 2k0f h SER 13 N 0.02 0.00 -0.85 0.41 0.02 -1.03 -2.23 113.55 109.90 2k0f h SER 13 Ca 0.02 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.08 2k0f h SER 13 Cb 0.04 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.49 2k0f h SER 13 CO -0.00 0.09 0.47 0.25 -1.14 0.00 0.00 176.83 176.50 2k0f h LEU 14 N 0.00 0.64 -0.01 5.07 5.85 -1.01 -2.30 115.31 123.55 2k0f h LEU 14 Ca -0.00 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2k0f h LEU 14 Cb 0.21 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2k0f h LEU 14 CO 0.01 0.33 -0.20 -0.26 -0.34 0.00 0.00 178.44 177.98 2k0f h PHE 15 N 0.74 0.00 -4.05 1.25 0.04 -1.46 -3.44 116.94 110.02 2k0f h PHE 15 Ca 0.43 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.64 2k0f h PHE 15 Cb 0.48 0.00 0.15 0.00 2.20 0.00 0.00 35.95 38.78 2k0f h PHE 15 CO -0.07 0.20 0.56 -3.47 -0.60 0.00 0.00 178.31 174.93 2k0f n ASP 16 N -3.15 2.42 0.05 2.17 -0.08 -0.87 -4.58 116.55 112.52 2k0f n ASP 16 Ca 0.03 0.92 -0.11 0.00 -1.51 0.00 0.00 54.79 54.12 2k0f n ASP 16 Cb 0.61 -1.57 -0.08 0.00 2.34 0.00 0.00 41.12 42.43 2k0f n ASP 16 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2k0f h LYS 17 N 1.05 -0.21 0.00 -0.67 3.64 -1.88 -3.39 116.57 115.11 2k0f h LYS 17 Ca -0.51 0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 58.65 2k0f h LYS 17 Cb 1.32 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.14 2k0f h LYS 17 CO 0.55 0.22 -1.89 -0.25 -2.27 0.00 0.00 179.45 175.82 2k0f n ASP 18 N -4.92 1.97 -0.09 4.20 8.00 -1.26 -5.03 116.55 119.42 2k0f n ASP 18 Ca -0.08 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.41 2k0f n ASP 18 Cb 0.26 0.66 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 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 2.29 1.18 0.00 0.44 0.00 -1.26 -5.10 105.19 102.73 2k0f n GLY 19 Ca -0.22 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.46 0.00 0.00 1.61 5.68 -1.26 -5.03 116.55 118.01 2k0f n ASP 20 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2k0f n ASP 20 Cb 0.14 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 2.61 0.02 3.80 6.12 0.00 -1.26 -5.14 105.19 111.34 2k0f n GLY 21 Ca 0.00 0.00 -0.33 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 0.00 4.85 -0.48 2.61 -4.23 -1.26 -4.94 115.64 112.18 2k0f s THR 22 Ca 0.00 -0.34 -0.11 0.00 -1.18 0.00 0.00 61.69 60.07 2k0f s THR 22 Cb 0.00 -3.21 0.12 0.00 1.34 0.00 0.00 72.50 70.75 2k0f s THR 22 CO 0.00 0.37 0.38 -0.63 -0.54 0.00 0.00 174.62 174.20 2k0f s ILE 23 N -1.19 4.45 0.65 2.99 -1.09 -1.25 -4.93 121.20 120.82 2k0f s ILE 23 Ca 0.23 -1.70 -0.11 0.00 -2.23 0.00 0.00 60.65 56.84 2k0f s ILE 23 Cb -0.12 -3.90 -0.02 0.00 -1.58 0.00 0.00 42.46 36.84 2k0f s ILE 23 CO 0.14 -0.78 1.05 0.42 -1.23 0.00 0.00 174.94 174.53 2k0f s THR 24 N 1.42 4.37 0.28 2.92 -4.23 -1.26 -2.90 115.64 116.23 2k0f s THR 24 Ca 0.05 0.77 -0.04 0.00 -1.18 0.00 0.00 61.69 61.29 2k0f s THR 24 Cb -0.27 -3.73 0.26 0.00 1.34 0.00 0.00 72.50 70.10 2k0f s THR 24 CO 0.00 -1.00 1.95 0.74 -0.54 0.00 0.00 174.62 175.77 2k0f h THR 25 N -0.45 1.23 -0.05 3.99 2.02 -1.97 -2.89 112.91 114.81 2k0f h THR 25 Ca -0.44 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 66.32 2k0f h THR 25 Cb 1.21 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2k0f h THR 25 CO 0.62 0.23 0.03 0.11 0.37 0.00 0.00 175.52 176.88 2k0f h LYS 26 N 1.22 0.00 0.02 6.66 1.57 -1.97 0.20 116.57 124.26 2k0f h LYS 26 Ca 0.33 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.86 2k0f h LYS 26 Cb -0.13 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 2k0f h LYS 26 CO -0.07 0.00 -1.31 0.93 -0.57 0.00 0.00 179.45 178.43 2k0f h GLU 27 N 0.00 0.04 -0.16 3.15 5.08 -1.84 -0.44 114.58 120.41 2k0f h GLU 27 Ca 0.02 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 2k0f h GLU 27 Cb 0.09 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2k0f h GLU 27 CO -0.00 0.86 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.53 2k0f h LEU 28 N 0.01 0.51 -1.03 1.33 3.38 -1.50 -2.75 115.31 115.26 2k0f h LEU 28 Ca -0.13 -0.54 -0.00 0.00 0.09 0.00 0.00 57.88 57.29 2k0f h LEU 28 Cb 1.89 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 42.45 2k0f h LEU 28 CO 0.12 0.95 0.54 1.23 0.09 0.00 0.00 178.44 181.38 2k0f h GLY 29 N 0.09 1.29 -0.15 0.83 0.00 -0.85 -0.62 103.07 103.66 2k0f h GLY 29 Ca 0.01 -0.53 0.06 0.00 0.00 0.00 0.00 47.33 46.88 2k0f h GLY 29 CO 0.06 0.51 -0.39 -0.84 0.00 0.00 0.00 176.54 175.89 2k0f h THR 30 N 1.23 0.17 -0.13 4.70 2.02 -1.16 -2.35 112.91 117.38 2k0f h THR 30 Ca 0.32 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.31 2k0f h THR 30 Cb -0.06 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 66.52 2k0f h THR 30 CO -0.06 0.00 -0.66 1.62 0.37 0.00 0.00 175.52 176.79 2k0f h VAL 31 N -0.35 1.31 -0.97 3.16 3.04 -1.10 -0.91 116.25 120.44 2k0f h VAL 31 Ca 0.13 -1.90 0.06 0.00 -1.01 0.00 0.00 66.70 63.97 2k0f h VAL 31 Cb 0.58 2.07 -0.06 0.00 -2.01 0.00 0.00 31.29 31.86 2k0f h VAL 31 CO -0.50 0.59 0.62 0.24 -1.01 0.00 0.00 177.57 177.51 2k0f h MET 32 N 0.37 1.12 -1.00 4.17 2.86 -1.26 -2.32 114.93 118.87 2k0f h MET 32 Ca -0.04 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2k0f h MET 32 Cb 1.30 -0.25 -0.06 0.00 0.06 0.00 0.00 31.60 32.65 2k0f h MET 32 CO 0.14 0.74 0.65 -0.09 1.06 0.00 0.00 176.91 179.41 2k0f h ARG 33 N 1.15 1.24 -0.10 1.72 2.43 -1.00 -0.71 114.38 119.10 2k0f h ARG 33 Ca 0.41 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.44 2k0f h ARG 33 Cb 0.13 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2k0f h ARG 33 CO -0.16 0.82 -0.21 0.77 -1.51 0.00 0.00 179.97 179.68 2k0f h SER 34 N 1.28 0.36 -0.72 -3.80 0.02 -1.08 -3.06 113.55 106.55 2k0f h SER 34 Ca 0.39 -0.56 0.07 0.00 -0.84 0.00 0.00 61.79 60.85 2k0f h SER 34 Cb -0.02 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.35 2k0f h SER 34 CO -0.12 0.85 0.41 -0.07 -1.14 0.00 0.00 176.83 176.76 2k0f h LEU 35 N -0.11 0.60 0.00 5.07 3.38 -1.25 -3.47 115.31 119.52 2k0f h LEU 35 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k0f h LEU 35 Cb 0.79 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2k0f h LEU 35 CO 0.05 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.56 2k0f n GLY 36 N -1.30 -1.78 3.75 0.83 0.00 -0.29 -5.04 105.19 101.36 2k0f n GLY 36 Ca 0.10 0.62 -0.31 0.00 0.00 0.00 0.00 46.02 46.43 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 1.98 -0.34 1.61 1.11 -1.21 -4.87 119.66 117.93 2k0f s GLN 37 Ca 0.00 1.13 -0.05 0.00 0.01 0.00 0.00 55.36 56.45 2k0f s GLN 37 Cb 0.00 -1.87 0.05 0.00 -1.01 0.00 0.00 33.01 30.18 2k0f s GLN 37 CO 0.00 -1.83 0.11 -0.80 0.01 0.00 0.00 175.29 172.78 2k0f s ASN 38 N -3.35 5.26 0.57 5.90 0.01 -1.26 -3.27 114.94 118.79 2k0f s ASN 38 Ca 0.62 -1.28 0.03 0.00 -0.71 0.00 0.00 52.86 51.52 2k0f s ASN 38 Cb -0.18 -1.85 0.06 0.00 0.41 0.00 0.00 41.25 39.69 2k0f s ASN 38 CO 0.56 -0.35 0.79 -2.16 -1.51 0.00 0.00 177.10 174.43 2k0f s PRO 39 N 1.35 2.38 0.41 -0.60 0.04 -1.26 -5.06 135.00 132.27 2k0f s PRO 39 Ca -0.01 -1.04 0.02 0.00 0.04 0.00 0.00 61.00 60.02 2k0f s PRO 39 Cb -0.20 -2.52 -0.00 0.00 0.04 0.00 0.00 34.50 31.81 2k0f s PRO 39 CO 0.01 -0.81 0.60 0.95 0.04 0.00 0.00 177.00 177.80 2k0f s THR 40 N -2.76 3.99 -0.43 1.26 -4.23 -1.26 -5.04 115.64 107.17 2k0f s THR 40 Ca 0.59 -0.67 0.23 0.00 -1.18 0.00 0.00 61.69 60.65 2k0f s THR 40 Cb -0.09 -3.44 -0.15 0.00 1.34 0.00 0.00 72.50 70.16 2k0f s THR 40 CO 0.39 -0.26 0.90 -0.62 -0.54 0.00 0.00 174.62 174.48 2k0f n GLU 41 N -1.94 0.42 -0.06 3.99 1.02 -1.26 -3.76 120.64 119.05 2k0f n GLU 41 Ca 0.01 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 56.99 2k0f n GLU 41 Cb 0.58 -1.62 -0.07 0.00 -0.02 0.00 0.00 31.44 30.32 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 2.34 0.26 -0.18 0.62 0.00 -1.99 -0.00 119.26 120.30 2k0f h ALA 42 Ca 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 2k0f h ALA 42 Cb 0.83 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2k0f h ALA 42 CO 0.00 0.20 -0.19 1.05 0.00 0.00 0.00 179.25 180.30 2k0f h GLU 43 N 0.09 0.31 0.00 0.00 4.11 -2.01 -2.95 114.58 114.12 2k0f h GLU 43 Ca 0.02 -0.09 -0.12 0.00 0.07 0.00 0.00 59.36 59.24 2k0f h GLU 43 Cb 0.76 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 2k0f h GLU 43 CO 0.05 0.50 -0.58 -0.07 0.07 0.00 0.00 179.01 178.98 2k0f h LEU 44 N 0.28 0.00 -0.72 3.06 3.38 -1.60 -2.87 115.31 116.84 2k0f h LEU 44 Ca 0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2k0f h LEU 44 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2k0f h LEU 44 CO 0.03 0.58 0.07 -0.61 0.09 0.00 0.00 178.44 178.60 2k0f h GLN 45 N 0.00 1.05 -0.53 1.13 4.15 -0.83 -2.15 115.11 117.93 2k0f h GLN 45 Ca -0.01 -0.29 -0.08 0.00 0.77 0.00 0.00 58.65 59.05 2k0f h GLN 45 Cb 1.20 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.75 2k0f h GLN 45 CO 0.08 0.98 0.02 0.22 -1.93 0.00 0.00 178.83 178.20 2k0f h ASP 46 N 0.97 0.84 -0.29 -0.69 1.82 -1.41 0.26 116.42 117.92 2k0f h ASP 46 Ca 0.19 -0.20 -0.17 0.00 -0.39 0.00 0.00 57.03 56.45 2k0f h ASP 46 Cb 0.46 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.25 2k0f h ASP 46 CO 0.02 0.89 -0.50 0.24 -1.61 0.00 0.00 179.24 178.28 2k0f h MET 47 N 0.82 0.85 0.36 0.28 2.86 -1.41 -3.02 114.93 115.68 2k0f h MET 47 Ca 0.16 -0.53 -0.02 0.00 -2.06 0.00 0.00 59.70 57.25 2k0f h MET 47 Cb 0.45 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2k0f h MET 47 CO 0.02 1.16 -0.18 0.82 1.06 0.00 0.00 176.91 179.80 2k0f h ILE 48 N 0.63 0.64 0.00 -1.22 2.04 -1.33 -3.25 117.51 115.03 2k0f h ILE 48 Ca 0.02 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2k0f h ILE 48 Cb 1.10 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2k0f h ILE 48 CO 0.11 0.06 0.07 0.59 0.00 0.00 0.00 178.15 178.99 2k0f n ASN 49 N -5.23 0.15 -0.01 1.72 4.13 0.91 -0.85 115.26 116.09 2k0f n ASN 49 Ca -0.10 0.52 -0.20 0.00 1.68 0.00 0.00 54.58 56.48 2k0f n ASN 49 Cb 0.26 -0.53 -0.14 0.00 -1.54 0.00 0.00 39.78 37.83 2k0f n ASN 49 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2k0f h GLU 50 N 0.00 0.18 0.00 3.52 4.39 -1.56 -3.35 114.58 117.76 2k0f h GLU 50 Ca 0.00 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2k0f h GLU 50 Cb 0.14 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2k0f h GLU 50 CO 0.00 1.15 0.00 -0.39 -1.16 0.00 0.00 179.01 178.61 2k0f h VAL 51 N -0.56 0.00 -3.39 3.13 -1.51 -1.41 -3.44 116.25 109.06 2k0f h VAL 51 Ca -0.20 -0.36 -0.57 0.00 -1.23 0.00 0.00 66.70 64.34 2k0f h VAL 51 Cb 1.51 1.21 -0.06 0.00 -2.13 0.00 0.00 31.29 31.82 2k0f h VAL 51 CO 0.04 0.00 0.87 -0.62 -1.23 0.00 0.00 177.57 176.63 2k0f s ASP 52 N -4.54 6.86 -0.24 4.19 2.15 -0.03 -4.55 116.67 120.52 2k0f s ASP 52 Ca 0.06 0.93 -0.16 0.00 0.43 0.00 0.00 52.55 53.81 2k0f s ASP 52 Cb 0.10 -2.54 -0.12 0.00 -0.30 0.00 0.00 42.92 40.06 2k0f s ASP 52 CO 0.48 -0.96 -0.22 0.00 -0.17 0.00 0.00 175.17 174.30 2k0f n ALA 53 N 7.09 1.00 -0.00 3.66 0.00 -1.26 -4.69 120.51 126.31 2k0f n ALA 53 Ca 0.12 -0.87 -0.12 0.00 0.00 0.00 0.00 53.44 52.56 2k0f n ALA 53 Cb 0.47 -0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.34 0.00 0.00 3.04 -1.96 -3.48 116.42 111.68 2k0f h ASP 54 Ca -0.46 0.18 0.00 0.00 -3.24 0.00 0.00 57.03 53.50 2k0f h ASP 54 Cb 1.37 0.54 0.00 0.00 -1.04 0.00 0.00 39.33 40.20 2k0f h ASP 54 CO -0.28 -0.43 0.00 0.61 -2.04 0.00 0.00 179.24 177.10 2k0f n GLY 55 N -1.44 1.57 0.63 7.15 0.00 -1.26 -5.05 105.19 106.80 2k0f n GLY 55 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.09 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 2.28 -0.50 1.61 0.23 -1.26 -5.00 115.26 112.63 2k0f n ASN 56 Ca 0.00 -1.64 -0.06 0.00 -0.53 0.00 0.00 54.58 52.34 2k0f n ASN 56 Cb 0.00 0.31 -0.03 0.00 -2.08 0.00 0.00 39.78 37.98 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 1.39 0.66 3.49 4.83 0.00 -1.26 -4.99 105.19 109.31 2k0f n GLY 57 Ca 0.11 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.63 2.70 -0.75 2.61 -4.23 -1.26 -4.83 115.64 108.24 2k0f s THR 58 Ca 0.00 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.29 2k0f s THR 58 Cb 0.00 -2.35 0.08 0.00 1.34 0.00 0.00 72.50 71.57 2k0f s THR 58 CO 0.00 -0.19 1.07 -0.51 -0.54 0.00 0.00 174.62 174.45 2k0f s ILE 59 N -1.90 4.31 0.90 2.99 2.07 -1.14 -4.95 121.20 123.48 2k0f s ILE 59 Ca 0.25 -0.57 -0.12 0.00 -1.41 0.00 0.00 60.65 58.80 2k0f s ILE 59 Cb -0.07 -4.76 0.19 0.00 0.13 0.00 0.00 42.46 37.94 2k0f s ILE 59 CO 0.13 -1.55 1.24 -1.81 -1.91 0.00 0.00 174.94 171.04 2k0f s ASP 60 N 3.79 3.38 0.06 4.50 1.01 -1.26 -3.88 116.67 124.27 2k0f s ASP 60 Ca 0.28 0.05 -0.15 0.00 0.71 0.00 0.00 52.55 53.43 2k0f s ASP 60 Cb -0.12 -0.15 -0.22 0.00 1.01 0.00 0.00 42.92 43.44 2k0f s ASP 60 CO 0.05 -2.54 1.19 0.15 0.21 0.00 0.00 175.17 174.23 2k0f h PHE 61 N -1.36 0.95 0.00 4.23 3.57 -1.95 -2.51 116.94 119.86 2k0f h PHE 61 Ca -0.42 -0.50 -0.07 0.00 3.53 0.00 0.00 57.97 60.51 2k0f h PHE 61 Cb 1.24 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 2k0f h PHE 61 CO -0.96 1.33 -0.35 -1.00 -2.23 0.00 0.00 178.31 175.09 2k0f h PRO 62 N 0.30 0.00 -0.40 6.41 0.13 -1.98 -2.51 132.00 133.95 2k0f h PRO 62 Ca -0.10 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.08 2k0f h PRO 62 Cb 1.55 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.63 2k0f h PRO 62 CO 0.18 0.35 0.10 0.93 -0.23 0.00 0.00 178.00 179.33 2k0f h GLU 63 N 0.00 0.23 -0.69 0.86 5.08 -1.78 -0.66 114.58 117.62 2k0f h GLU 63 Ca -0.00 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 63 Cb 1.13 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.24 2k0f h GLU 63 CO 0.05 0.15 -0.49 0.35 -1.00 0.00 0.00 179.01 178.07 2k0f h PHE 64 N 0.24 -1.56 -0.13 4.33 3.57 -1.46 -2.37 116.94 119.56 2k0f h PHE 64 Ca 0.19 0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 2k0f h PHE 64 Cb 0.21 0.77 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 2k0f h PHE 64 CO -0.18 -0.34 0.01 -0.07 -2.23 0.00 0.00 178.31 175.49 2k0f h LEU 65 N -0.10 0.16 -0.50 0.59 3.38 -0.90 0.24 115.31 118.18 2k0f h LEU 65 Ca 0.11 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2k0f h LEU 65 Cb 0.40 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2k0f h LEU 65 CO -0.70 0.18 0.03 0.74 0.09 0.00 0.00 178.44 178.78 2k0f h THR 66 N 0.17 1.26 -0.21 0.22 2.02 -1.10 -1.18 112.91 114.10 2k0f h THR 66 Ca 0.04 -1.03 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 2k0f h THR 66 Cb 0.11 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 2k0f h THR 66 CO 0.00 0.36 -0.00 -0.03 0.37 0.00 0.00 175.52 176.22 2k0f h MET 67 N 0.73 0.37 0.00 6.66 1.85 -0.28 -2.55 114.93 121.71 2k0f h MET 67 Ca 0.15 -0.12 -0.01 0.00 -0.61 0.00 0.00 59.70 59.11 2k0f h MET 67 Cb 0.48 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.47 2k0f h MET 67 CO 0.02 0.57 -0.05 0.52 -0.40 0.00 0.00 176.91 177.57 2k0f h MET 68 N 0.13 0.00 0.00 0.39 2.07 -0.68 -3.14 114.93 113.70 2k0f h MET 68 Ca 0.06 0.00 -0.20 0.00 -2.07 0.00 0.00 59.70 57.49 2k0f h MET 68 Cb 0.40 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.10 2k0f h MET 68 CO 0.01 0.05 -0.97 0.00 1.07 0.00 0.00 176.91 177.06 2k0f h ALA 69 N 1.95 0.41 -1.99 6.32 0.00 -0.86 -3.47 119.26 121.63 2k0f h ALA 69 Ca -0.00 -0.88 -0.57 0.00 0.00 0.00 0.00 54.91 53.46 2k0f h ALA 69 Cb 0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2k0f h ALA 69 CO 0.01 1.19 1.01 1.03 0.00 0.00 0.00 179.25 182.49 2k0f s ARG 70 N -2.74 3.89 -0.04 0.00 0.52 -0.99 -5.00 118.95 114.59 2k0f s ARG 70 Ca 0.01 1.38 0.05 0.00 -0.52 0.00 0.00 55.73 56.65 2k0f s ARG 70 Cb 0.10 -3.92 -0.02 0.00 0.52 0.00 0.00 34.95 31.62 2k0f s ARG 70 CO 0.81 -1.15 -0.18 0.21 0.02 0.00 0.00 175.30 175.01 2k0f s LYS 71 N 4.28 2.41 0.00 3.54 2.20 -1.26 -5.03 119.74 125.88 2k0f s LYS 71 Ca 0.60 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 2k0f s LYS 71 Cb -0.19 -2.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 2k0f s LYS 71 CO 0.24 0.59 0.00 -1.33 -0.36 0.00 0.00 175.35 174.49 2k0f n MET 72 N 2.39 0.00 -2.90 4.03 2.81 -1.26 -5.12 117.12 117.07 2k0f n MET 72 Ca -0.17 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.51 2k0f n MET 72 Cb 0.52 0.00 0.08 0.00 -0.71 0.00 0.00 33.22 33.11 2k0f n MET 72 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2k0f s LYS 73 N 2.73 2.07 0.29 0.03 1.02 -1.26 -4.89 119.74 119.74 2k0f s LYS 73 Ca 0.00 -1.50 -0.02 0.00 0.02 0.00 0.00 55.97 54.47 2k0f s LYS 73 Cb 0.00 -2.55 0.43 0.00 -0.52 0.00 0.00 37.83 35.19 2k0f s LYS 73 CO 0.00 -1.08 1.93 -0.44 -0.92 0.00 0.00 175.35 174.84 2k0f h ASP 74 N -0.06 0.91 -0.58 2.83 3.32 -1.99 0.86 116.42 121.70 2k0f h ASP 74 Ca -0.31 -0.06 0.06 0.00 0.02 0.00 0.00 57.03 56.74 2k0f h ASP 74 Cb 1.28 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 40.55 2k0f h ASP 74 CO 0.40 0.71 0.29 0.71 -1.72 0.00 0.00 179.24 179.63 2k0f h THR 75 N 1.03 0.92 0.11 0.35 1.35 -1.99 -1.49 112.91 113.19 2k0f h THR 75 Ca 0.27 -0.19 -0.25 0.00 -0.55 0.00 0.00 66.41 65.69 2k0f h THR 75 Cb -0.01 0.33 0.03 0.00 -1.73 0.00 0.00 68.15 66.76 2k0f h THR 75 CO -0.05 0.10 -1.04 0.44 -0.25 0.00 0.00 175.52 174.72 2k0f h ASP 76 N 0.54 0.73 -0.38 5.36 3.32 -1.70 -2.41 116.42 121.87 2k0f h ASP 76 Ca 0.27 -0.84 0.03 0.00 0.02 0.00 0.00 57.03 56.50 2k0f h ASP 76 Cb 0.20 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 2k0f h ASP 76 CO -0.20 1.50 0.19 -1.28 -1.72 0.00 0.00 179.24 177.73 2k0f h SER 77 N 0.06 0.28 -0.49 6.45 0.87 -0.67 -0.29 113.55 119.76 2k0f h SER 77 Ca -0.16 0.02 0.09 0.00 -1.23 0.00 0.00 61.79 60.51 2k0f h SER 77 Cb 1.75 -0.03 -0.10 0.00 -0.44 0.00 0.00 62.40 63.58 2k0f h SER 77 CO 0.20 0.20 -0.31 -0.08 -0.53 0.00 0.00 176.83 176.31 2k0f h GLU 78 N 0.39 -0.19 -0.22 2.24 4.81 -1.27 -0.43 114.58 119.91 2k0f h GLU 78 Ca 0.16 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.23 2k0f h GLU 78 Cb 0.07 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 2k0f h GLU 78 CO -0.11 -0.12 -0.55 1.49 -0.73 0.00 0.00 179.01 178.99 2k0f h GLU 79 N -0.19 0.67 -0.56 1.92 4.81 -0.98 -0.59 114.58 119.66 2k0f h GLU 79 Ca 0.21 -0.42 -0.06 0.00 -0.13 0.00 0.00 59.36 58.95 2k0f h GLU 79 Cb 0.53 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2k0f h GLU 79 CO -0.60 1.04 0.11 1.49 -0.73 0.00 0.00 179.01 180.32 2k0f h GLU 80 N 0.51 0.89 -0.06 1.92 4.81 -0.62 0.14 114.58 122.17 2k0f h GLU 80 Ca 0.01 -0.20 -0.11 0.00 -0.13 0.00 0.00 59.36 58.93 2k0f h GLU 80 Cb 1.11 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 2k0f h GLU 80 CO 0.11 0.81 -0.47 0.82 -0.73 0.00 0.00 179.01 179.56 2k0f h ILE 81 N 0.85 1.34 -0.76 2.32 2.04 -0.94 -2.30 117.51 120.06 2k0f h ILE 81 Ca 0.18 -1.64 -0.06 0.00 1.00 0.00 0.00 64.86 64.34 2k0f h ILE 81 Cb 0.35 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 2k0f h ILE 81 CO 0.00 0.48 0.24 -0.09 0.00 0.00 0.00 178.15 178.79 2k0f h ARG 82 N 0.12 1.17 0.00 2.37 2.43 -0.61 -1.18 114.38 118.68 2k0f h ARG 82 Ca 0.01 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 58.91 2k0f h ARG 82 Cb 0.87 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2k0f h ARG 82 CO 0.07 0.99 -0.08 0.93 -1.51 0.00 0.00 179.97 180.36 2k0f h GLU 83 N 1.12 0.00 -0.06 0.20 4.39 -0.71 -0.87 114.58 118.66 2k0f h GLU 83 Ca 0.24 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.81 2k0f h GLU 83 Cb 0.30 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2k0f h GLU 83 CO -0.01 0.08 -0.48 0.00 -1.16 0.00 0.00 179.01 177.44 2k0f h ALA 84 N 1.92 0.13 -0.84 3.43 0.00 -1.21 -3.08 119.26 119.62 2k0f h ALA 84 Ca -0.00 -0.51 0.09 0.00 0.00 0.00 0.00 54.91 54.49 2k0f h ALA 84 Cb 0.94 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 2k0f h ALA 84 CO 0.01 0.31 0.49 0.35 0.00 0.00 0.00 179.25 180.41 2k0f h PHE 85 N -0.05 0.89 0.00 0.00 3.57 -1.20 -2.41 116.94 117.74 2k0f h PHE 85 Ca -0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2k0f h PHE 85 Cb 1.16 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.62 2k0f h PHE 85 CO 0.13 0.37 0.00 -2.13 -2.23 0.00 0.00 178.31 174.45 2k0f n ARG 86 N -4.72 0.61 -0.09 1.11 0.63 -0.34 -0.57 116.66 113.29 2k0f n ARG 86 Ca 0.14 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.91 2k0f n ARG 86 Cb 0.27 -1.03 -0.08 0.00 0.45 0.00 0.00 32.46 32.07 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2k0f h VAL 87 N 0.00 0.61 -0.32 5.15 2.07 -1.40 -3.41 116.25 118.95 2k0f h VAL 87 Ca 0.00 -1.78 -0.17 0.00 0.82 0.00 0.00 66.70 65.57 2k0f h VAL 87 Cb 0.00 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2k0f h VAL 87 CO 0.00 0.21 -0.47 -0.26 0.02 0.00 0.00 177.57 177.07 2k0f h PHE 88 N -1.00 1.05 -3.54 1.57 0.04 -1.46 -3.39 116.94 110.22 2k0f h PHE 88 Ca -0.22 -0.34 -0.65 0.00 2.80 0.00 0.00 57.97 59.55 2k0f h PHE 88 Cb 1.02 -0.21 -0.15 0.00 2.20 0.00 0.00 35.95 38.81 2k0f h PHE 88 CO -0.00 1.16 0.15 0.34 -0.60 0.00 0.00 178.31 179.36 2k0f s ASP 89 N -6.90 6.32 -0.25 2.17 2.15 0.26 -4.77 116.67 115.65 2k0f s ASP 89 Ca -0.10 -0.39 -0.16 0.00 0.43 0.00 0.00 52.55 52.33 2k0f s ASP 89 Cb 0.11 -2.33 -0.12 0.00 -0.30 0.00 0.00 42.92 40.28 2k0f s ASP 89 CO 0.88 -0.82 -0.25 1.17 -0.17 0.00 0.00 175.17 175.98 2k0f n LYS 90 N 6.34 0.57 -0.18 4.34 4.81 -1.26 -4.51 118.16 128.27 2k0f n LYS 90 Ca -0.02 0.32 -0.13 0.00 -0.87 0.00 0.00 58.31 57.61 2k0f n LYS 90 Cb 0.48 -1.54 -0.10 0.00 0.02 0.00 0.00 35.03 33.89 2k0f n LYS 90 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 2k0f h ASP 91 N -1.00 -1.91 0.00 3.14 3.04 -1.96 -3.48 116.42 114.26 2k0f h ASP 91 Ca -0.54 0.26 0.00 0.00 -3.24 0.00 0.00 57.03 53.51 2k0f h ASP 91 Cb 1.46 0.79 0.00 0.00 -1.04 0.00 0.00 39.33 40.54 2k0f h ASP 91 CO -0.33 -0.38 0.00 0.61 -2.04 0.00 0.00 179.24 177.10 2k0f n GLY 92 N -1.36 1.13 0.09 7.15 0.00 -1.26 -5.01 105.19 105.93 2k0f n GLY 92 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 0.54 -0.58 1.61 6.94 -1.26 -4.93 115.26 117.58 2k0f n ASN 93 Ca 0.00 -0.38 -0.06 0.00 -0.02 0.00 0.00 54.58 54.12 2k0f n ASN 93 Cb 0.00 0.02 -0.01 0.00 -2.36 0.00 0.00 39.78 37.43 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 1.40 0.33 2.78 4.83 0.00 -1.26 -5.04 105.19 108.23 2k0f n GLY 94 Ca 0.10 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.26 0.82 -0.41 1.61 2.02 -1.26 -4.14 117.35 113.74 2k0f s TYR 95 Ca 0.00 -0.34 -0.28 0.00 -0.37 0.00 0.00 57.07 56.08 2k0f s TYR 95 Cb 0.00 -0.89 0.02 0.00 -0.40 0.00 0.00 41.96 40.69 2k0f s TYR 95 CO 0.00 -0.40 1.05 0.42 -1.57 0.00 0.00 175.55 175.06 2k0f s ILE 96 N 1.92 4.40 0.58 2.71 1.01 -0.16 -4.86 121.20 126.81 2k0f s ILE 96 Ca 0.04 1.32 0.02 0.00 0.00 0.00 0.00 60.65 62.03 2k0f s ILE 96 Cb -0.13 -4.48 0.06 0.00 0.01 0.00 0.00 42.46 37.92 2k0f s ILE 96 CO -0.06 -0.74 0.81 -0.94 0.00 0.00 0.00 174.94 174.01 2k0f s SER 97 N 2.08 5.08 0.17 3.58 1.04 -1.26 -1.84 113.70 122.55 2k0f s SER 97 Ca 0.44 -0.21 -0.14 0.00 0.48 0.00 0.00 55.95 56.53 2k0f s SER 97 Cb -0.10 -0.55 0.06 0.00 0.10 0.00 0.00 66.02 65.53 2k0f s SER 97 CO 0.24 -1.29 1.78 0.00 0.98 0.00 0.00 173.24 174.95 2k0f h ALA 98 N -0.00 0.69 -0.89 5.32 0.00 -1.94 -0.04 119.26 122.40 2k0f h ALA 98 Ca -0.39 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.59 2k0f h ALA 98 Cb 1.29 -0.22 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 2k0f h ALA 98 CO 0.48 0.21 0.47 0.00 0.00 0.00 0.00 179.25 180.41 2k0f h ALA 99 N 1.13 1.38 0.02 0.00 0.00 -1.99 0.14 119.26 119.95 2k0f h ALA 99 Ca 0.19 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 2k0f h ALA 99 Cb 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2k0f h ALA 99 CO -0.03 -0.11 -0.54 0.93 0.00 0.00 0.00 179.25 179.50 2k0f h GLU 100 N 0.63 0.33 -0.51 0.00 5.08 -1.86 -2.10 114.58 116.16 2k0f h GLU 100 Ca 0.50 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2k0f h GLU 100 Cb 0.75 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 2k0f h GLU 100 CO -0.39 1.08 0.34 1.25 -1.00 0.00 0.00 179.01 180.29 2k0f h LEU 101 N -0.26 0.53 0.15 1.33 5.85 -0.51 0.04 115.31 122.44 2k0f h LEU 101 Ca -0.07 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2k0f h LEU 101 Cb 1.29 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 2k0f h LEU 101 CO 0.11 0.37 -0.19 0.03 -0.34 0.00 0.00 178.44 178.41 2k0f h ARG 102 N 0.61 -0.38 0.20 1.25 3.08 -0.48 -1.86 114.38 116.80 2k0f h ARG 102 Ca 0.20 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2k0f h ARG 102 Cb 0.04 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2k0f h ARG 102 CO -0.05 -0.25 -0.42 0.45 -1.07 0.00 0.00 179.97 178.63 2k0f h HIS 103 N -0.39 -1.20 -0.57 3.04 3.86 -0.82 -2.27 115.15 116.80 2k0f h HIS 103 Ca 0.01 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 2k0f h HIS 103 Cb 0.39 0.50 -0.03 0.00 1.06 0.00 0.00 27.41 29.33 2k0f h HIS 103 CO -0.17 -0.50 0.18 0.28 0.86 0.00 0.00 177.93 178.58 2k0f h VAL 104 N -0.67 1.22 0.05 2.45 2.07 -1.06 0.73 116.25 121.05 2k0f h VAL 104 Ca -0.02 -0.76 -0.27 0.00 0.82 0.00 0.00 66.70 66.47 2k0f h VAL 104 Cb 0.64 0.59 0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2k0f h VAL 104 CO -0.17 0.29 -1.09 0.24 0.02 0.00 0.00 177.57 176.86 2k0f h MET 105 N 0.83 0.65 -0.23 1.57 2.86 -1.32 -2.67 114.93 116.62 2k0f h MET 105 Ca 0.19 -0.77 -0.00 0.00 -2.06 0.00 0.00 59.70 57.06 2k0f h MET 105 Cb 0.24 0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2k0f h MET 105 CO -0.01 1.34 0.13 1.15 1.06 0.00 0.00 176.91 180.57 2k0f h THR 106 N 0.30 1.11 -0.22 2.22 2.02 -0.93 0.20 112.91 117.62 2k0f h THR 106 Ca -0.15 -0.31 -0.13 0.00 0.77 0.00 0.00 66.41 66.60 2k0f h THR 106 Cb 1.76 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 2k0f h THR 106 CO 0.21 0.11 -0.40 0.78 0.37 0.00 0.00 175.52 176.59 2k0f h ASN 107 N 0.26 0.53 -0.06 4.18 2.35 0.37 -3.12 115.58 120.09 2k0f h ASN 107 Ca 0.08 -0.23 -0.11 0.00 -0.55 0.00 0.00 56.30 55.49 2k0f h ASN 107 Cb 0.07 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.30 2k0f h ASN 107 CO -0.01 0.87 -0.40 0.25 -1.65 0.00 0.00 177.43 176.48 2k0f h LEU 108 N 0.41 0.46 0.00 1.61 5.85 -1.44 -3.42 115.31 118.78 2k0f h LEU 108 Ca 0.04 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.09 2k0f h LEU 108 Cb 0.88 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.77 2k0f h LEU 108 CO 0.07 1.06 0.00 0.61 -0.34 0.00 0.00 178.44 179.85 2k0f n GLY 109 N 0.78 0.00 3.63 3.75 0.00 -0.23 -4.84 105.19 108.28 2k0f n GLY 109 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 2.78 -1.07 1.61 0.41 0.53 -5.00 118.70 117.96 2k0f s GLU 110 Ca 0.00 -0.56 -0.03 0.00 -0.41 0.00 0.00 54.97 53.97 2k0f s GLU 110 Cb 0.00 -2.64 0.31 0.00 -1.78 0.00 0.00 34.13 30.02 2k0f s GLU 110 CO 0.00 0.66 1.62 1.63 -0.49 0.00 0.00 175.26 178.68 2k0f n LYS 111 N 1.92 4.83 -2.49 1.61 4.01 -1.26 -3.69 118.16 123.10 2k0f n LYS 111 Ca -0.17 -4.58 -0.30 0.00 -0.51 0.00 0.00 58.31 52.75 2k0f n LYS 111 Cb 0.53 -2.50 -0.02 0.00 -0.51 0.00 0.00 35.03 32.53 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 2k0f s LEU 112 N -3.33 3.61 0.40 -0.35 2.34 -1.26 -5.10 118.68 114.99 2k0f s LEU 112 Ca 0.34 1.26 0.08 0.00 0.06 0.00 0.00 54.13 55.87 2k0f s LEU 112 Cb 0.10 -4.21 -0.06 0.00 -0.56 0.00 0.00 46.19 41.47 2k0f s LEU 112 CO 0.02 -0.58 0.12 0.42 -1.06 0.00 0.00 176.35 175.27 2k0f s THR 113 N -2.68 2.34 0.28 5.48 -4.23 -1.26 -5.01 115.64 110.56 2k0f s THR 113 Ca 0.53 -1.80 0.09 0.00 -1.18 0.00 0.00 61.69 59.33 2k0f s THR 113 Cb -0.10 -2.96 -0.00 0.00 1.34 0.00 0.00 72.50 70.77 2k0f s THR 113 CO 0.39 -0.04 1.65 0.44 -0.54 0.00 0.00 174.62 176.51 2k0f h ASP 114 N 1.56 0.10 -0.40 3.99 3.32 -2.01 -1.27 116.42 121.71 2k0f h ASP 114 Ca -0.43 -0.05 0.07 0.00 0.02 0.00 0.00 57.03 56.64 2k0f h ASP 114 Cb 1.25 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.71 2k0f h ASP 114 CO 0.71 0.62 0.04 -0.08 -1.72 0.00 0.00 179.24 178.82 2k0f h GLU 115 N 0.07 0.15 -0.15 3.56 4.81 -2.01 -3.19 114.58 117.82 2k0f h GLU 115 Ca -0.00 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 2k0f h GLU 115 Cb 0.98 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 2k0f h GLU 115 CO 0.08 0.10 -0.43 0.93 -0.73 0.00 0.00 179.01 178.96 2k0f h GLU 116 N 0.16 0.34 0.51 1.92 5.08 -1.62 -2.77 114.58 118.20 2k0f h GLU 116 Ca 0.20 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 116 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2k0f h GLU 116 CO -0.29 0.71 -0.31 0.28 -1.00 0.00 0.00 179.01 178.40 2k0f h VAL 117 N 0.28 0.36 -0.81 3.13 2.07 -1.52 0.32 116.25 120.08 2k0f h VAL 117 Ca 0.02 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.67 2k0f h VAL 117 Cb 0.87 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 2k0f h VAL 117 CO 0.07 0.00 0.53 0.44 0.02 0.00 0.00 177.57 178.63 2k0f h ASP 118 N -0.78 0.59 -0.05 0.57 3.32 -1.64 -1.20 116.42 117.23 2k0f h ASP 118 Ca -0.06 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 2k0f h ASP 118 Cb 0.63 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2k0f h ASP 118 CO 0.06 0.32 -0.25 -0.08 -1.72 0.00 0.00 179.24 177.58 2k0f h GLU 119 N 0.64 0.26 -0.76 3.56 4.81 -0.97 -0.78 114.58 121.33 2k0f h GLU 119 Ca 0.39 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2k0f h GLU 119 Cb 0.63 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 2k0f h GLU 119 CO -0.15 0.86 0.34 0.52 -0.73 0.00 0.00 179.01 179.85 2k0f h MET 120 N -0.28 1.11 -0.64 1.92 2.86 -0.93 -2.00 114.93 116.95 2k0f h MET 120 Ca -0.02 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2k0f h MET 120 Cb 0.91 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.34 2k0f h MET 120 CO 0.05 0.87 0.40 0.82 1.06 0.00 0.00 176.91 180.11 2k0f h ILE 121 N 1.09 1.18 0.00 -1.22 1.08 -0.96 -2.22 117.51 116.46 2k0f h ILE 121 Ca 0.26 -0.38 -0.03 0.00 -0.39 0.00 0.00 64.86 64.32 2k0f h ILE 121 Cb 0.14 0.28 -0.00 0.00 -3.07 0.00 0.00 36.82 34.17 2k0f h ILE 121 CO -0.03 0.18 -0.15 0.03 -0.69 0.00 0.00 178.15 177.50 2k0f h ARG 122 N 0.87 0.00 -0.27 2.37 3.08 -0.95 0.53 114.38 120.01 2k0f h ARG 122 Ca 0.23 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.16 2k0f h ARG 122 Cb -0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 2k0f h ARG 122 CO -0.05 0.15 -0.30 1.49 -1.07 0.00 0.00 179.97 180.19 2k0f h GLU 123 N 0.00 0.68 0.16 0.04 4.81 -1.33 -3.36 114.58 115.59 2k0f h GLU 123 Ca -0.00 -0.37 -0.32 0.00 -0.13 0.00 0.00 59.36 58.53 2k0f h GLU 123 Cb 0.80 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.21 2k0f h GLU 123 CO 0.02 0.99 -1.58 0.00 -0.73 0.00 0.00 179.01 177.71 2k0f h ALA 124 N 0.69 0.15 -2.39 2.92 0.00 -0.89 -3.46 119.26 116.27 2k0f h ALA 124 Ca 0.04 -1.07 -0.53 0.00 0.00 0.00 0.00 54.91 53.35 2k0f h ALA 124 Cb 0.88 0.30 0.02 0.00 0.00 0.00 0.00 17.79 18.99 2k0f h ALA 124 CO 0.07 1.02 1.18 0.34 0.00 0.00 0.00 179.25 181.87 2k0f s ASP 125 N -7.19 6.46 -0.10 0.00 2.15 0.18 -4.82 116.67 113.36 2k0f s ASP 125 Ca -0.11 2.66 0.00 0.00 0.43 0.00 0.00 52.55 55.53 2k0f s ASP 125 Cb 0.06 -2.54 -0.06 0.00 -0.30 0.00 0.00 42.92 40.07 2k0f s ASP 125 CO 0.87 -1.03 -0.09 -0.38 -0.17 0.00 0.00 175.17 174.37 2k0f n ILE 126 N 5.30 0.57 0.00 4.11 5.41 -1.26 -4.80 119.36 128.68 2k0f n ILE 126 Ca 0.19 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2k0f n ILE 126 Cb 0.40 -0.92 0.00 0.00 -0.71 0.00 0.00 39.64 38.42 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 -2.85 0.00 0.00 4.38 5.68 -1.26 -5.04 116.55 117.46 2k0f n ASP 127 Ca -0.18 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 2k0f n ASP 127 Cb 0.68 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 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 1.52 0.57 0.13 6.12 0.00 -1.26 -5.00 105.19 107.26 2k0f n GLY 128 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.00 1.61 2.03 -1.97 -3.47 116.42 114.62 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 129 Cb 0.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 2k0f h ASP 129 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 2k0f n GLY 130 N 1.03 0.92 3.14 7.15 0.00 -1.26 -5.08 105.19 111.10 2k0f n GLY 130 Ca 0.05 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.32 0.61 -0.30 1.61 -2.07 -1.26 -4.81 119.66 112.12 2k0f s GLN 131 Ca 0.00 -0.64 -0.11 0.00 -1.82 0.00 0.00 55.36 52.79 2k0f s GLN 131 Cb 0.00 0.25 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 2k0f s GLN 131 CO 0.00 -0.16 0.20 0.08 -1.32 0.00 0.00 175.29 174.08 2k0f s VAL 132 N -2.37 5.24 0.00 3.63 1.01 -0.76 -4.80 120.40 122.34 2k0f s VAL 132 Ca -0.07 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2k0f s VAL 132 Cb -0.02 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2k0f s VAL 132 CO -0.03 0.18 0.00 -0.46 0.00 0.00 0.00 175.10 174.78 2k0f n ASN 133 N 5.06 0.00 0.10 3.32 0.23 -1.26 -0.99 115.26 121.72 2k0f n ASN 133 Ca -0.14 -0.97 -0.13 0.00 -0.53 0.00 0.00 54.58 52.81 2k0f n ASN 133 Cb 0.51 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.13 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 -0.19 -0.19 -0.81 -2.53 3.20 -1.98 -2.77 116.97 111.70 2k0f h TYR 134 Ca 0.00 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.99 2k0f h TYR 134 Cb 0.00 0.06 -0.08 0.00 1.54 0.00 0.00 36.73 38.25 2k0f h TYR 134 CO 0.00 0.02 0.42 1.49 -1.64 0.00 0.00 178.16 178.45 2k0f h GLU 135 N -0.37 0.63 -0.11 1.82 4.81 -1.96 0.18 114.58 119.58 2k0f h GLU 135 Ca -0.02 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 2k0f h GLU 135 Cb 0.30 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2k0f h GLU 135 CO 0.03 0.42 -0.38 0.93 -0.73 0.00 0.00 179.01 179.29 2k0f h GLU 136 N 0.65 0.24 -0.00 1.92 5.08 -1.89 -1.75 114.58 118.82 2k0f h GLU 136 Ca 0.42 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 2k0f h GLU 136 Cb 0.51 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2k0f h GLU 136 CO -0.31 0.59 -0.02 0.35 -1.00 0.00 0.00 179.01 178.61 2k0f h PHE 137 N 0.20 0.03 -0.40 4.33 3.57 -1.05 -1.93 116.94 121.70 2k0f h PHE 137 Ca 0.02 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.59 2k0f h PHE 137 Cb 0.76 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.42 2k0f h PHE 137 CO 0.01 0.71 -0.11 0.28 -2.23 0.00 0.00 178.31 176.97 2k0f h VAL 138 N -0.66 0.59 -0.27 1.41 2.07 -0.93 -1.25 116.25 117.21 2k0f h VAL 138 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k0f h VAL 138 Cb 0.71 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2k0f h VAL 138 CO 0.00 0.00 0.15 -0.61 0.02 0.00 0.00 177.57 177.14 2k0f h GLN 139 N -0.01 0.35 -0.08 1.57 5.75 -1.35 -1.50 115.11 119.85 2k0f h GLN 139 Ca 0.19 -0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.55 2k0f h GLN 139 Cb 0.30 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 2k0f h GLN 139 CO -0.42 0.26 -0.49 1.98 -2.65 0.00 0.00 178.83 177.52 2k0f h MET 140 N 0.36 0.21 0.23 1.69 4.05 -0.66 -3.37 114.93 117.45 2k0f h MET 140 Ca 0.10 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 2k0f h MET 140 Cb 0.00 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 2k0f h MET 140 CO -0.02 0.65 -0.11 0.52 0.23 0.00 0.00 176.91 178.18 2k0f h MET 141 N 0.17 -0.30 -0.01 0.39 2.86 -0.38 -3.51 114.93 114.14 2k0f h MET 141 Ca 0.01 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2k0f h MET 141 Cb 0.92 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.65 2k0f h MET 141 CO 0.07 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.29