#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 0.98 -0.44 -0.78 4.81 -2.05 -2.23 114.58 114.87 2k0f h GLU 2 Ca 0.00 -0.40 0.05 0.00 -0.13 0.00 0.00 59.36 58.88 2k0f h GLU 2 Cb 0.00 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.26 2k0f h GLU 2 CO 0.00 1.07 -0.46 1.49 -0.73 0.00 0.00 179.01 180.38 2k0f h GLU 3 N 0.85 -0.24 0.14 1.92 4.81 -2.05 -2.77 114.58 117.24 2k0f h GLU 3 Ca 0.12 0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 59.06 2k0f h GLU 3 Cb 0.75 0.05 0.03 0.00 0.63 0.00 0.00 28.75 30.22 2k0f h GLU 3 CO 0.06 -0.16 -1.29 0.37 -0.73 0.00 0.00 179.01 177.26 2k0f h GLN 4 N -0.25 0.62 -0.40 1.92 4.15 -1.98 -2.93 115.11 116.23 2k0f h GLN 4 Ca 0.08 -0.86 0.05 0.00 0.77 0.00 0.00 58.65 58.69 2k0f h GLN 4 Cb 0.45 0.29 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 2k0f h GLN 4 CO -0.55 1.40 0.27 0.97 -1.93 0.00 0.00 178.83 178.99 2k0f h ILE 5 N 0.25 0.97 0.04 2.39 6.09 -1.47 -1.24 117.51 124.55 2k0f h ILE 5 Ca -0.20 -0.12 -0.00 0.00 -1.37 0.00 0.00 64.86 63.17 2k0f h ILE 5 Cb 1.96 0.61 0.00 0.00 0.47 0.00 0.00 36.82 39.86 2k0f h ILE 5 CO 0.25 0.06 -0.02 0.00 -3.07 0.00 0.00 178.15 175.37 2k0f h ALA 6 N 1.78 -0.06 -0.29 0.18 0.00 -1.53 -3.01 119.26 116.33 2k0f h ALA 6 Ca 0.17 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 2k0f h ALA 6 Cb 0.27 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2k0f h ALA 6 CO -0.04 -0.10 -0.14 1.49 0.00 0.00 0.00 179.25 180.46 2k0f h GLU 7 N -0.92 0.50 -0.22 0.00 4.57 -1.25 -1.52 114.58 115.74 2k0f h GLU 7 Ca -0.01 -0.15 -0.14 0.00 -1.18 0.00 0.00 59.36 57.88 2k0f h GLU 7 Cb 0.63 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 2k0f h GLU 7 CO 0.01 0.64 -0.40 0.74 -1.18 0.00 0.00 179.01 178.81 2k0f h PHE 8 N 0.46 0.83 0.00 0.92 -1.00 -1.39 -1.20 116.94 115.56 2k0f h PHE 8 Ca 0.08 -0.29 -0.05 0.00 2.81 0.00 0.00 57.97 60.52 2k0f h PHE 8 Cb 0.52 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 2k0f h PHE 8 CO 0.02 1.06 -0.25 -0.22 -1.61 0.00 0.00 178.31 177.31 2k0f h LYS 9 N 0.37 0.00 0.36 1.51 3.64 -1.35 0.11 116.57 121.21 2k0f h LYS 9 Ca 0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2k0f h LYS 9 Cb 1.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 2k0f h LYS 9 CO 0.09 0.25 -0.33 1.49 -2.27 0.00 0.00 179.45 178.68 2k0f h GLU 10 N 0.00 -0.68 -0.51 1.90 4.57 -1.30 -2.91 114.58 115.64 2k0f h GLU 10 Ca -0.00 0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 2k0f h GLU 10 Cb 0.51 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 2k0f h GLU 10 CO 0.03 -0.46 0.21 0.00 -1.18 0.00 0.00 179.01 177.61 2k0f h ALA 11 N -0.21 0.67 -0.45 2.92 0.00 -0.79 -3.19 119.26 118.20 2k0f h ALA 11 Ca -0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2k0f h ALA 11 Cb 0.63 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2k0f h ALA 11 CO -0.04 0.28 0.04 0.35 0.00 0.00 0.00 179.25 179.87 2k0f h PHE 12 N 0.69 0.73 0.00 0.00 3.04 -0.84 -2.05 116.94 118.51 2k0f h PHE 12 Ca 0.17 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 62.04 2k0f h PHE 12 Cb 0.19 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.49 2k0f h PHE 12 CO 0.01 0.67 0.00 0.43 -2.02 0.00 0.00 178.31 177.39 2k0f n SER 13 N -4.26 0.20 0.03 0.41 7.64 -1.10 -1.56 113.62 114.99 2k0f n SER 13 Ca 0.03 0.59 -0.08 0.00 1.01 0.00 0.00 58.87 60.42 2k0f n SER 13 Cb 0.26 -0.62 -0.13 0.00 -1.01 0.00 0.00 64.21 62.71 2k0f n SER 13 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k0f h LEU 14 N 0.00 0.01 0.09 -3.43 3.38 -1.49 -3.37 115.31 110.49 2k0f h LEU 14 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k0f h LEU 14 Cb 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2k0f h LEU 14 CO 0.00 1.01 -0.04 -0.26 0.09 0.00 0.00 178.44 179.24 2k0f h PHE 15 N 0.00 -0.11 -3.01 1.13 -1.00 -1.53 -3.42 116.94 109.00 2k0f h PHE 15 Ca -0.11 -0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.10 2k0f h PHE 15 Cb 1.86 0.04 -0.09 0.00 3.61 0.00 0.00 35.95 41.36 2k0f h PHE 15 CO 0.00 0.41 0.88 0.34 -1.61 0.00 0.00 178.31 178.33 2k0f s ASP 16 N -5.69 6.35 0.29 2.17 -1.08 -0.60 -4.66 116.67 113.44 2k0f s ASP 16 Ca -0.12 -0.16 0.12 0.00 -0.52 0.00 0.00 52.55 51.87 2k0f s ASP 16 Cb -0.00 -2.52 0.38 0.00 -1.46 0.00 0.00 42.92 39.31 2k0f s ASP 16 CO 0.46 -1.49 1.61 0.11 0.52 0.00 0.00 175.17 176.38 2k0f h LYS 17 N 9.59 0.00 0.00 4.34 1.79 -1.85 -3.28 116.57 127.15 2k0f h LYS 17 Ca -0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2k0f h LYS 17 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 2k0f h LYS 17 CO 1.18 0.58 0.00 -0.25 -1.08 0.00 0.00 179.45 179.89 2k0f n ASP 18 N -3.67 0.00 -0.49 0.86 8.00 -1.26 -5.02 116.55 114.97 2k0f n ASP 18 Ca -0.01 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.14 2k0f n ASP 18 Cb 0.62 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 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 0.53 0.91 0.35 0.44 0.00 -1.24 -5.06 105.19 101.13 2k0f n GLY 19 Ca 0.00 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.49 1.53 0.00 1.61 5.75 -1.26 -5.04 116.55 118.65 2k0f n ASP 20 Ca 0.00 0.26 0.00 0.00 -0.01 0.00 0.00 54.79 55.04 2k0f n ASP 20 Cb 0.16 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 1.76 0.56 3.20 6.12 0.00 -1.26 -5.13 105.19 110.44 2k0f n GLY 21 Ca -0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 1.72 -0.24 2.61 -4.23 -1.26 -3.01 115.64 111.23 2k0f s THR 22 Ca 0.00 -0.88 -0.10 0.00 -1.18 0.00 0.00 61.69 59.53 2k0f s THR 22 Cb 0.00 -1.46 -0.05 0.00 1.34 0.00 0.00 72.50 72.33 2k0f s THR 22 CO 0.00 0.48 0.14 -0.63 -0.54 0.00 0.00 174.62 174.08 2k0f s ILE 23 N -0.06 5.21 0.65 2.99 1.01 -0.37 -4.91 121.20 125.72 2k0f s ILE 23 Ca -0.04 0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.80 2k0f s ILE 23 Cb -0.12 -3.42 0.11 0.00 0.01 0.00 0.00 42.46 39.03 2k0f s ILE 23 CO 0.03 0.35 0.89 0.42 0.00 0.00 0.00 174.94 176.63 2k0f s THR 24 N 1.07 2.04 0.14 2.92 -4.23 -1.26 -1.48 115.64 114.84 2k0f s THR 24 Ca 0.07 -0.86 -0.18 0.00 -1.18 0.00 0.00 61.69 59.53 2k0f s THR 24 Cb -0.14 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.50 2k0f s THR 24 CO 0.04 0.00 1.74 0.71 -0.54 0.00 0.00 174.62 176.57 2k0f h THR 25 N -0.13 0.90 -0.23 3.99 1.35 -1.94 -1.97 112.91 114.87 2k0f h THR 25 Ca -0.31 -0.06 -0.14 0.00 -0.55 0.00 0.00 66.41 65.36 2k0f h THR 25 Cb 1.28 0.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2k0f h THR 25 CO 0.39 0.03 -0.39 0.50 -0.25 0.00 0.00 175.52 175.80 2k0f h LYS 26 N 0.17 0.67 -0.09 4.72 3.64 -1.96 0.55 116.57 124.26 2k0f h LYS 26 Ca 0.12 -0.41 0.04 0.00 -1.27 0.00 0.00 60.65 59.13 2k0f h LYS 26 Cb 0.11 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 2k0f h LYS 26 CO -0.14 1.03 -0.32 0.93 -2.27 0.00 0.00 179.45 178.68 2k0f h GLU 27 N 0.37 -0.40 -0.38 1.90 5.08 -1.88 0.29 114.58 119.56 2k0f h GLU 27 Ca 0.02 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2k0f h GLU 27 Cb 0.99 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 2k0f h GLU 27 CO 0.09 -0.27 0.17 1.25 -1.00 0.00 0.00 179.01 179.25 2k0f h LEU 28 N -0.42 0.22 -0.86 1.33 5.85 -1.39 -2.77 115.31 117.27 2k0f h LEU 28 Ca 0.08 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.95 2k0f h LEU 28 Cb 0.55 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 2k0f h LEU 28 CO -0.32 0.17 0.49 1.23 -0.34 0.00 0.00 178.44 179.66 2k0f h GLY 29 N 0.35 1.38 1.30 3.75 0.00 0.29 -1.74 103.07 108.39 2k0f h GLY 29 Ca 0.17 -0.31 0.07 0.00 0.00 0.00 0.00 47.33 47.26 2k0f h GLY 29 CO -0.14 0.08 0.30 -0.84 0.00 0.00 0.00 176.54 175.94 2k0f h THR 30 N 0.77 0.93 -0.07 4.70 2.02 -0.25 -0.70 112.91 120.29 2k0f h THR 30 Ca 0.44 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.49 2k0f h THR 30 Cb 0.48 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2k0f h THR 30 CO -0.29 0.05 -0.05 0.58 0.37 0.00 0.00 175.52 176.19 2k0f h VAL 31 N 0.29 1.34 -0.21 3.16 2.07 -1.04 -2.00 116.25 119.86 2k0f h VAL 31 Ca 0.20 -1.10 -0.21 0.00 0.82 0.00 0.00 66.70 66.41 2k0f h VAL 31 Cb 0.41 1.92 0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2k0f h VAL 31 CO -0.04 0.31 -0.68 0.24 0.02 0.00 0.00 177.57 177.41 2k0f h MET 32 N -0.23 0.82 0.00 1.57 2.86 -1.27 -2.51 114.93 116.17 2k0f h MET 32 Ca 0.02 -0.60 -0.04 0.00 -2.06 0.00 0.00 59.70 57.01 2k0f h MET 32 Cb 0.51 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2k0f h MET 32 CO 0.01 1.22 -0.20 0.07 1.06 0.00 0.00 176.91 179.07 2k0f h ARG 33 N 0.59 0.00 -0.29 1.72 0.11 -1.21 0.10 114.38 115.41 2k0f h ARG 33 Ca -0.02 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.01 2k0f h ARG 33 Cb 1.30 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.37 2k0f h ARG 33 CO 0.14 0.20 -0.01 0.77 0.10 0.00 0.00 179.97 181.17 2k0f h SER 34 N 0.00 0.51 0.12 0.08 0.02 -1.31 -3.35 113.55 109.61 2k0f h SER 34 Ca -0.00 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 2k0f h SER 34 Cb 0.74 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2k0f h SER 34 CO 0.03 0.71 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.30 2k0f h LEU 35 N 0.29 -0.13 0.00 5.07 3.38 -1.33 -3.47 115.31 119.12 2k0f h LEU 35 Ca 0.08 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2k0f h LEU 35 Cb 0.46 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2k0f h LEU 35 CO 0.02 0.43 0.00 0.61 0.09 0.00 0.00 178.44 179.59 2k0f n GLY 36 N 0.54 -1.44 3.74 0.83 0.00 0.35 -5.10 105.19 104.10 2k0f n GLY 36 Ca -0.08 0.56 -0.39 0.00 0.00 0.00 0.00 46.02 46.11 2k0f n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 37 N 0.00 4.34 -0.19 1.61 0.74 -1.18 -4.68 119.66 120.30 2k0f s GLN 37 Ca 0.00 0.66 -0.20 0.00 0.05 0.00 0.00 55.36 55.87 2k0f s GLN 37 Cb 0.00 -3.40 -0.03 0.00 1.10 0.00 0.00 33.01 30.68 2k0f s GLN 37 CO 0.00 0.22 0.61 1.21 -0.55 0.00 0.00 175.29 176.78 2k0f s ASN 38 N 0.33 6.67 0.73 6.67 2.47 -1.26 -3.63 114.94 126.91 2k0f s ASN 38 Ca 0.31 0.81 -0.03 0.00 0.42 0.00 0.00 52.86 54.36 2k0f s ASN 38 Cb -0.17 -2.34 0.11 0.00 -1.45 0.00 0.00 41.25 37.41 2k0f s ASN 38 CO 0.15 -0.25 0.74 -0.81 -3.72 0.00 0.00 177.10 173.21 2k0f n PRO 39 N 4.94 -0.15 -2.97 0.43 -0.04 -1.26 -5.04 135.00 130.90 2k0f n PRO 39 Ca -0.02 -1.73 -0.25 0.00 -0.04 0.00 0.00 63.50 61.46 2k0f n PRO 39 Cb 0.50 -0.58 -0.00 0.00 -0.04 0.00 0.00 33.50 33.38 2k0f n PRO 39 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2k0f s THR 40 N -2.29 4.70 0.33 0.52 -4.23 -1.26 -5.02 115.64 108.39 2k0f s THR 40 Ca 0.47 -0.21 0.05 0.00 -1.18 0.00 0.00 61.69 60.81 2k0f s THR 40 Cb -0.02 -3.75 0.13 0.00 1.34 0.00 0.00 72.50 70.20 2k0f s THR 40 CO 0.32 -0.60 1.84 -0.08 -0.54 0.00 0.00 174.62 175.55 2k0f h GLU 41 N 0.43 0.47 -0.42 3.99 4.81 -1.98 -2.47 114.58 119.41 2k0f h GLU 41 Ca -0.48 -0.12 0.08 0.00 -0.13 0.00 0.00 59.36 58.71 2k0f h GLU 41 Cb 1.22 -0.06 -0.09 0.00 0.63 0.00 0.00 28.75 30.45 2k0f h GLU 41 CO 0.61 0.57 -0.32 0.00 -0.73 0.00 0.00 179.01 179.14 2k0f h ALA 42 N 1.47 -0.15 -0.44 2.92 0.00 -1.98 0.23 119.26 121.31 2k0f h ALA 42 Ca 0.09 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2k0f h ALA 42 Cb 0.43 0.70 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2k0f h ALA 42 CO 0.02 -0.71 0.23 0.93 0.00 0.00 0.00 179.25 179.72 2k0f h GLU 43 N -0.24 0.45 0.13 0.00 5.08 -1.95 -2.14 114.58 115.91 2k0f h GLU 43 Ca 0.18 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2k0f h GLU 43 Cb 0.53 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2k0f h GLU 43 CO -0.55 0.30 -0.06 -0.07 -1.00 0.00 0.00 179.01 177.63 2k0f h LEU 44 N 0.46 -0.15 -0.98 1.33 3.38 -0.95 -2.36 115.31 116.05 2k0f h LEU 44 Ca 0.19 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.27 2k0f h LEU 44 Cb 0.07 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 2k0f h LEU 44 CO -0.12 -0.10 0.61 1.56 0.09 0.00 0.00 178.44 180.47 2k0f h GLN 45 N -0.17 0.95 0.28 1.13 4.20 -0.37 -2.30 115.11 118.82 2k0f h GLN 45 Ca -0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2k0f h GLN 45 Cb 0.13 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2k0f h GLN 45 CO 0.03 0.63 -0.29 0.22 -0.67 0.00 0.00 178.83 178.74 2k0f h ASP 46 N 0.97 -0.78 -0.66 1.46 3.58 -1.02 0.20 116.42 120.17 2k0f h ASP 46 Ca 0.48 0.07 0.14 0.00 0.42 0.00 0.00 57.03 58.14 2k0f h ASP 46 Cb 0.45 0.27 -0.12 0.00 1.72 0.00 0.00 39.33 41.64 2k0f h ASP 46 CO -0.26 -0.41 -0.10 0.24 -2.88 0.00 0.00 179.24 175.83 2k0f h MET 47 N -0.60 0.04 -0.14 0.28 2.86 -0.92 -2.81 114.93 113.64 2k0f h MET 47 Ca -0.01 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2k0f h MET 47 Cb 0.56 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 2k0f h MET 47 CO -0.06 0.03 -0.07 0.82 1.06 0.00 0.00 176.91 178.68 2k0f h ILE 48 N 0.04 1.32 0.00 -1.22 2.04 -1.44 -3.21 117.51 115.04 2k0f h ILE 48 Ca 0.33 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2k0f h ILE 48 Cb 0.54 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 2k0f h ILE 48 CO -0.64 0.32 0.00 0.78 0.00 0.00 0.00 178.15 178.61 2k0f h ASN 49 N -0.05 0.00 0.04 1.72 2.35 -0.81 -0.68 115.58 118.15 2k0f h ASN 49 Ca 0.03 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.63 2k0f h ASN 49 Cb 0.54 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.92 2k0f h ASN 49 CO 0.02 0.00 -0.63 -0.08 -1.65 0.00 0.00 177.43 175.09 2k0f h GLU 50 N 0.00 0.35 -0.06 0.81 4.57 -1.49 -3.34 114.58 115.42 2k0f h GLU 50 Ca 0.00 -0.44 -0.13 0.00 -1.18 0.00 0.00 59.36 57.61 2k0f h GLU 50 Cb 0.11 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2k0f h GLU 50 CO 0.00 1.13 -0.56 0.28 -1.18 0.00 0.00 179.01 178.67 2k0f h VAL 51 N -0.22 1.38 -1.20 0.32 2.07 -1.43 -3.45 116.25 113.72 2k0f h VAL 51 Ca -0.09 -1.90 -0.35 0.00 0.82 0.00 0.00 66.70 65.18 2k0f h VAL 51 Cb 1.38 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 33.09 2k0f h VAL 51 CO 0.12 0.56 0.95 -0.62 0.02 0.00 0.00 177.57 178.60 2k0f s ASP 52 N -6.88 4.97 -0.09 0.57 2.15 -0.35 -4.88 116.67 112.16 2k0f s ASP 52 Ca -0.03 -0.07 -0.26 0.00 0.43 0.00 0.00 52.55 52.62 2k0f s ASP 52 Cb 0.12 -2.54 -0.22 0.00 -0.30 0.00 0.00 42.92 39.99 2k0f s ASP 52 CO 0.78 -2.76 0.91 0.00 -0.17 0.00 0.00 175.17 173.93 2k0f h ALA 53 N 13.52 -0.03 0.17 3.66 0.00 -1.91 -3.37 119.26 131.30 2k0f h ALA 53 Ca -0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2k0f h ALA 53 Cb 1.08 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2k0f h ALA 53 CO 1.18 -0.12 -0.12 0.38 0.00 0.00 0.00 179.25 180.57 2k0f h ASP 54 N -0.82 -0.32 0.00 0.00 3.04 -1.96 -3.48 116.42 112.88 2k0f h ASP 54 Ca -0.00 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.81 2k0f h ASP 54 Cb 0.73 0.10 0.00 0.00 -1.04 0.00 0.00 39.33 39.12 2k0f h ASP 54 CO 0.01 -0.18 0.00 0.61 -2.04 0.00 0.00 179.24 177.64 2k0f n GLY 55 N -1.15 1.07 0.27 7.15 0.00 -1.26 -5.04 105.19 106.23 2k0f n GLY 55 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 1.02 0.00 1.61 0.23 -1.26 -4.92 115.26 111.94 2k0f n ASN 56 Ca 0.00 -0.96 0.00 0.00 -0.53 0.00 0.00 54.58 53.09 2k0f n ASN 56 Cb 0.00 0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 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 1.29 0.54 3.09 4.83 0.00 -1.26 -5.04 105.19 108.64 2k0f n GLY 57 Ca 0.14 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 0.23 -0.29 2.61 -4.23 -1.26 -4.79 115.64 105.91 2k0f s THR 58 Ca 0.00 -1.81 -0.24 0.00 -1.18 0.00 0.00 61.69 58.46 2k0f s THR 58 Cb 0.00 -1.51 0.00 0.00 1.34 0.00 0.00 72.50 72.33 2k0f s THR 58 CO 0.00 -0.99 0.83 -0.63 -0.54 0.00 0.00 174.62 173.29 2k0f s ILE 59 N -3.89 4.77 0.53 2.99 1.01 -0.55 -4.83 121.20 121.23 2k0f s ILE 59 Ca 0.07 1.34 -0.06 0.00 0.00 0.00 0.00 60.65 62.00 2k0f s ILE 59 Cb 0.08 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 2k0f s ILE 59 CO -0.10 -0.23 0.85 -1.81 0.00 0.00 0.00 174.94 173.65 2k0f s ASP 60 N 1.55 6.05 0.08 3.58 1.11 -1.26 -1.23 116.67 126.55 2k0f s ASP 60 Ca 0.34 0.92 -0.18 0.00 0.18 0.00 0.00 52.55 53.81 2k0f s ASP 60 Cb -0.14 -2.11 -0.05 0.00 1.07 0.00 0.00 42.92 41.69 2k0f s ASP 60 CO 0.11 -0.76 1.31 0.15 1.18 0.00 0.00 175.17 177.16 2k0f h PHE 61 N 0.04 -1.03 0.00 4.23 3.57 -1.94 0.30 116.94 122.11 2k0f h PHE 61 Ca -0.46 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2k0f h PHE 61 Cb 1.22 0.51 0.00 0.00 2.79 0.00 0.00 35.95 40.47 2k0f h PHE 61 CO 0.56 -0.23 0.00 -0.35 -2.23 0.00 0.00 178.31 176.05 2k0f n PRO 62 N -4.24 0.15 0.05 6.41 -0.04 -1.26 -2.29 135.00 133.77 2k0f n PRO 62 Ca -0.00 0.44 -0.21 0.00 -0.04 0.00 0.00 63.50 63.69 2k0f n PRO 62 Cb 0.16 -1.82 -0.15 0.00 -0.04 0.00 0.00 33.50 31.66 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 0.31 -0.99 0.54 5.08 -1.86 -3.21 114.58 114.45 2k0f h GLU 63 Ca 0.00 -0.53 0.30 0.00 -1.00 0.00 0.00 59.36 58.14 2k0f h GLU 63 Cb 0.27 0.20 -0.15 0.00 0.50 0.00 0.00 28.75 29.57 2k0f h GLU 63 CO 0.00 1.25 0.53 0.35 -1.00 0.00 0.00 179.01 180.14 2k0f h PHE 64 N -0.30 0.87 0.27 4.33 3.04 -0.51 -2.44 116.94 122.19 2k0f h PHE 64 Ca -0.20 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.77 2k0f h PHE 64 Cb 1.73 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 40.02 2k0f h PHE 64 CO 0.17 -0.15 -0.13 -0.07 -2.02 0.00 0.00 178.31 176.10 2k0f h LEU 65 N 0.34 -0.31 -0.99 0.59 3.38 -1.60 -3.28 115.31 113.44 2k0f h LEU 65 Ca 0.70 -0.18 0.35 0.00 0.09 0.00 0.00 57.88 58.84 2k0f h LEU 65 Cb 1.55 0.08 -0.17 0.00 0.09 0.00 0.00 40.66 42.21 2k0f h LEU 65 CO -0.60 0.18 0.36 0.74 0.09 0.00 0.00 178.44 179.21 2k0f h THR 66 N -0.98 0.07 -0.73 0.22 2.02 -1.55 0.53 112.91 112.49 2k0f h THR 66 Ca -0.04 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 67.18 2k0f h THR 66 Cb 0.47 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.83 2k0f h THR 66 CO 0.06 0.01 0.42 -0.03 0.37 0.00 0.00 175.52 176.36 2k0f h MET 67 N 0.06 0.76 0.03 6.66 -1.53 -1.49 -1.83 114.93 117.59 2k0f h MET 67 Ca 0.74 -0.05 -0.27 0.00 -3.44 0.00 0.00 59.70 56.68 2k0f h MET 67 Cb 1.78 -0.17 -0.03 0.00 -0.55 0.00 0.00 31.60 32.63 2k0f h MET 67 CO -0.79 0.50 -1.46 0.52 0.14 0.00 0.00 176.91 175.83 2k0f h MET 68 N 0.78 0.07 0.00 0.39 2.07 -1.03 -3.24 114.93 113.97 2k0f h MET 68 Ca 0.32 -0.13 0.00 0.00 -2.07 0.00 0.00 59.70 57.82 2k0f h MET 68 Cb 0.17 0.05 0.00 0.00 -1.87 0.00 0.00 31.60 29.95 2k0f h MET 68 CO -0.17 0.83 0.00 0.00 1.07 0.00 0.00 176.91 178.64 2k0f h ALA 69 N 0.83 1.00 -2.82 6.32 0.00 0.21 -3.44 119.26 121.36 2k0f h ALA 69 Ca -0.20 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.20 2k0f h ALA 69 Cb 1.94 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.78 2k0f h ALA 69 CO 0.12 0.00 0.56 0.50 0.00 0.00 0.00 179.25 180.43 2k0f s ARG 70 N -3.36 4.33 -0.20 0.00 3.52 -0.71 -5.03 118.95 117.51 2k0f s ARG 70 Ca 0.05 2.01 -0.10 0.00 -0.13 0.00 0.00 55.73 57.56 2k0f s ARG 70 Cb 0.09 -2.98 -0.05 0.00 -1.56 0.00 0.00 34.95 30.45 2k0f s ARG 70 CO 0.48 -0.14 0.12 0.21 -0.81 0.00 0.00 175.30 175.16 2k0f s LYS 71 N -1.86 4.14 0.51 5.12 2.47 -1.26 -5.03 119.74 123.84 2k0f s LYS 71 Ca 0.50 -0.23 0.07 0.00 -1.56 0.00 0.00 55.97 54.75 2k0f s LYS 71 Cb -0.35 -3.39 0.03 0.00 -1.46 0.00 0.00 37.83 32.66 2k0f s LYS 71 CO 0.46 0.31 0.45 -1.64 0.16 0.00 0.00 175.35 175.09 2k0f s MET 72 N 0.33 2.34 0.60 4.03 -1.94 -1.26 -5.13 119.30 118.27 2k0f s MET 72 Ca 0.08 -1.81 -0.00 0.00 -1.71 0.00 0.00 55.69 52.24 2k0f s MET 72 Cb -0.11 -2.27 0.05 0.00 2.01 0.00 0.00 34.83 34.51 2k0f s MET 72 CO -0.02 -0.52 0.84 -1.59 -0.01 0.00 0.00 175.02 173.73 2k0f s LYS 73 N -4.29 2.38 0.17 2.03 -2.85 -1.26 -4.82 119.74 111.10 2k0f s LYS 73 Ca 0.43 -0.74 -0.16 0.00 -1.00 0.00 0.00 55.97 54.50 2k0f s LYS 73 Cb -0.03 -2.42 0.12 0.00 -2.06 0.00 0.00 37.83 33.44 2k0f s LYS 73 CO 0.26 -0.89 1.67 0.38 0.10 0.00 0.00 175.35 176.87 2k0f h ASP 74 N -0.11 -0.36 -0.09 0.03 2.03 -2.00 -1.64 116.42 114.29 2k0f h ASP 74 Ca -0.42 0.12 0.03 0.00 -0.73 0.00 0.00 57.03 56.03 2k0f h ASP 74 Cb 1.30 0.25 -0.03 0.00 -0.83 0.00 0.00 39.33 40.02 2k0f h ASP 74 CO 0.52 -0.13 -0.08 0.71 -1.03 0.00 0.00 179.24 179.23 2k0f h THR 75 N 0.02 0.76 -0.77 1.15 1.35 -1.98 -1.85 112.91 111.59 2k0f h THR 75 Ca 0.21 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 66.03 2k0f h THR 75 Cb 0.32 0.76 -0.03 0.00 -1.73 0.00 0.00 68.15 67.46 2k0f h THR 75 CO -0.43 0.00 0.33 0.44 -0.25 0.00 0.00 175.52 175.61 2k0f h ASP 76 N -0.11 1.03 0.58 5.36 3.32 -1.92 -2.45 116.42 122.23 2k0f h ASP 76 Ca 0.06 -0.16 -0.12 0.00 0.02 0.00 0.00 57.03 56.84 2k0f h ASP 76 Cb 0.20 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2k0f h ASP 76 CO -0.15 0.91 -0.56 0.28 -1.72 0.00 0.00 179.24 177.99 2k0f h SER 77 N 1.10 0.00 0.34 6.45 0.02 -1.31 -2.31 113.55 117.84 2k0f h SER 77 Ca 0.26 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.96 2k0f h SER 77 Cb 0.17 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.72 2k0f h SER 77 CO -0.03 0.56 -1.06 -0.08 -1.14 0.00 0.00 176.83 175.09 2k0f h GLU 78 N 0.00 0.44 0.00 3.45 4.81 -1.36 -3.26 114.58 118.65 2k0f h GLU 78 Ca -0.01 -0.53 -0.05 0.00 -0.13 0.00 0.00 59.36 58.64 2k0f h GLU 78 Cb 1.01 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2k0f h GLU 78 CO 0.07 1.19 -0.24 1.49 -0.73 0.00 0.00 179.01 180.79 2k0f h GLU 79 N 0.22 0.00 -0.33 1.92 4.81 -1.07 -2.60 114.58 117.53 2k0f h GLU 79 Ca -0.11 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 2k0f h GLU 79 Cb 1.72 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.08 2k0f h GLU 79 CO 0.19 0.24 -0.01 1.49 -0.73 0.00 0.00 179.01 180.19 2k0f h GLU 80 N 0.00 0.50 -0.10 1.92 4.81 -1.47 -1.39 114.58 118.86 2k0f h GLU 80 Ca -0.00 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 58.99 2k0f h GLU 80 Cb 0.45 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.77 2k0f h GLU 80 CO 0.03 0.54 -0.45 0.82 -0.73 0.00 0.00 179.01 179.22 2k0f h ILE 81 N 0.48 1.38 -0.42 2.32 1.08 -1.60 -3.18 117.51 117.57 2k0f h ILE 81 Ca 0.10 -1.78 -0.14 0.00 -0.39 0.00 0.00 64.86 62.66 2k0f h ILE 81 Cb 0.33 2.20 -0.01 0.00 -3.07 0.00 0.00 36.82 36.27 2k0f h ILE 81 CO 0.01 0.53 -0.28 -0.09 -0.69 0.00 0.00 178.15 177.63 2k0f h ARG 82 N 0.06 0.90 -0.07 2.37 1.12 -1.31 -0.15 114.38 117.30 2k0f h ARG 82 Ca -0.03 -0.41 -0.03 0.00 -1.11 0.00 0.00 59.98 58.40 2k0f h ARG 82 Cb 1.09 -0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 31.03 2k0f h ARG 82 CO 0.09 1.06 -0.09 0.93 -3.11 0.00 0.00 179.97 178.85 2k0f h GLU 83 N 0.77 0.19 -1.05 0.20 4.39 -1.39 0.85 114.58 118.53 2k0f h GLU 83 Ca 0.09 -0.11 0.29 0.00 0.34 0.00 0.00 59.36 59.97 2k0f h GLU 83 Cb 0.84 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.44 2k0f h GLU 83 CO 0.07 0.65 0.73 0.00 -1.16 0.00 0.00 179.01 179.30 2k0f h ALA 84 N 0.53 2.70 0.02 3.43 0.00 -1.52 -0.24 119.26 124.18 2k0f h ALA 84 Ca 0.01 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.68 2k0f h ALA 84 Cb 0.63 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2k0f h ALA 84 CO 0.02 -1.04 -0.99 0.35 0.00 0.00 0.00 179.25 177.59 2k0f h PHE 85 N 0.16 0.64 -0.55 0.00 3.04 -0.16 -2.26 116.94 117.81 2k0f h PHE 85 Ca 0.54 -0.36 -0.04 0.00 3.98 0.00 0.00 57.97 62.09 2k0f h PHE 85 Cb 1.81 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 40.23 2k0f h PHE 85 CO -0.00 1.19 0.19 -0.09 -2.02 0.00 0.00 178.31 177.58 2k0f h ARG 86 N 0.23 0.81 -0.18 1.11 2.43 0.34 -0.72 114.38 118.39 2k0f h ARG 86 Ca -0.09 -0.14 -0.18 0.00 -0.81 0.00 0.00 59.98 58.77 2k0f h ARG 86 Cb 1.63 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 31.04 2k0f h ARG 86 CO 0.17 0.69 -0.61 0.28 -1.51 0.00 0.00 179.97 178.99 2k0f h VAL 87 N 0.79 1.32 0.25 0.20 2.07 -0.89 -3.33 116.25 116.66 2k0f h VAL 87 Ca 0.18 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 2k0f h VAL 87 Cb 0.21 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2k0f h VAL 87 CO -0.01 0.58 -0.12 -0.26 0.02 0.00 0.00 177.57 177.78 2k0f h PHE 88 N 0.46 -0.32 -1.76 1.57 0.04 -1.36 -3.42 116.94 112.16 2k0f h PHE 88 Ca -0.00 -0.01 -0.49 0.00 2.80 0.00 0.00 57.97 60.27 2k0f h PHE 88 Cb 1.18 0.10 -0.06 0.00 2.20 0.00 0.00 35.95 39.37 2k0f h PHE 88 CO 0.06 -0.20 1.18 0.34 -0.60 0.00 0.00 178.31 179.09 2k0f s ASP 89 N -4.01 5.67 0.03 2.17 2.15 -0.28 -4.74 116.67 117.66 2k0f s ASP 89 Ca -0.05 -0.30 0.22 0.00 0.43 0.00 0.00 52.55 52.85 2k0f s ASP 89 Cb 0.00 -2.55 -0.13 0.00 -0.30 0.00 0.00 42.92 39.95 2k0f s ASP 89 CO 0.15 -2.17 0.83 2.29 -0.17 0.00 0.00 175.17 176.10 2k0f n LYS 90 N 9.15 0.38 0.07 4.34 2.85 -1.26 -4.15 118.16 129.53 2k0f n LYS 90 Ca 0.20 -0.05 -0.07 0.00 -1.05 0.00 0.00 58.31 57.34 2k0f n LYS 90 Cb 0.50 -1.57 -0.05 0.00 -0.65 0.00 0.00 35.03 33.26 2k0f n LYS 90 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 2k0f h ASP 91 N 0.00 -0.23 0.00 -5.58 3.04 -1.95 -3.49 116.42 108.20 2k0f h ASP 91 Ca 0.00 -0.16 0.00 0.00 -3.24 0.00 0.00 57.03 53.63 2k0f h ASP 91 Cb 0.80 0.06 0.00 0.00 -1.04 0.00 0.00 39.33 39.15 2k0f h ASP 91 CO 0.00 0.28 0.00 0.61 -2.04 0.00 0.00 179.24 178.09 2k0f n GLY 92 N 0.89 1.86 0.16 7.15 0.00 -1.26 -5.05 105.19 108.94 2k0f n GLY 92 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.00 1.61 -1.07 -1.95 -3.47 115.58 110.70 2k0f h ASN 93 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.35 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.01 0.00 0.61 0.07 0.00 0.00 177.43 178.12 2k0f n GLY 94 N 1.20 0.67 3.55 9.14 0.00 -1.26 -5.08 105.19 113.40 2k0f n GLY 94 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.59 2.64 -0.31 1.61 2.02 -1.26 -4.54 117.35 114.92 2k0f s TYR 95 Ca 0.00 -0.21 -0.10 0.00 -0.37 0.00 0.00 57.07 56.38 2k0f s TYR 95 Cb 0.00 -1.35 -0.01 0.00 -0.40 0.00 0.00 41.96 40.20 2k0f s TYR 95 CO 0.00 0.45 0.17 0.42 -1.57 0.00 0.00 175.55 175.02 2k0f s ILE 96 N -1.40 4.80 0.39 2.71 1.01 -0.60 -4.84 121.20 123.26 2k0f s ILE 96 Ca 0.22 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.58 2k0f s ILE 96 Cb -0.10 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 2k0f s ILE 96 CO 0.13 0.09 0.58 -0.94 0.00 0.00 0.00 174.94 174.80 2k0f s SER 97 N 1.65 6.01 0.41 3.58 1.04 -1.26 -1.50 113.70 123.63 2k0f s SER 97 Ca 0.05 0.22 0.16 0.00 0.48 0.00 0.00 55.95 56.86 2k0f s SER 97 Cb -0.17 -1.62 1.04 0.00 0.10 0.00 0.00 66.02 65.37 2k0f s SER 97 CO 0.07 -0.50 1.87 0.00 0.98 0.00 0.00 173.24 175.66 2k0f h ALA 98 N 0.64 2.14 -0.52 5.32 0.00 -1.99 -0.32 119.26 124.53 2k0f h ALA 98 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2k0f h ALA 98 Cb 1.24 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2k0f h ALA 98 CO 0.58 -0.40 0.33 0.00 0.00 0.00 0.00 179.25 179.76 2k0f h ALA 99 N 1.62 0.66 0.02 0.00 0.00 -1.95 -1.04 119.26 118.57 2k0f h ALA 99 Ca 0.45 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 2k0f h ALA 99 Cb 1.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2k0f h ALA 99 CO -0.17 0.12 -0.01 0.93 0.00 0.00 0.00 179.25 180.12 2k0f h GLU 100 N 0.70 -0.02 -0.47 0.00 5.08 -1.41 0.34 114.58 118.80 2k0f h GLU 100 Ca 0.19 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 2k0f h GLU 100 Cb -0.05 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.12 2k0f h GLU 100 CO -0.04 0.39 -0.51 -0.07 -1.00 0.00 0.00 179.01 177.78 2k0f h LEU 101 N -0.44 -1.74 -0.45 1.33 3.38 -1.41 -0.26 115.31 115.73 2k0f h LEU 101 Ca -0.00 0.24 0.08 0.00 0.09 0.00 0.00 57.88 58.28 2k0f h LEU 101 Cb 0.42 0.72 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 2k0f h LEU 101 CO 0.00 -0.33 -0.42 -0.09 0.09 0.00 0.00 178.44 177.69 2k0f h ARG 102 N -0.29 -0.28 -0.58 1.13 2.43 -0.98 -1.02 114.38 114.78 2k0f h ARG 102 Ca 0.08 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.39 2k0f h ARG 102 Cb 0.51 0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 30.01 2k0f h ARG 102 CO -0.60 -0.19 -0.11 0.45 -1.51 0.00 0.00 179.97 178.01 2k0f h HIS 103 N -0.30 -0.25 -0.44 2.20 3.86 -0.18 0.20 115.15 120.25 2k0f h HIS 103 Ca 0.15 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 2k0f h HIS 103 Cb 0.58 0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.23 2k0f h HIS 103 CO -0.63 -0.23 0.29 0.28 0.86 0.00 0.00 177.93 178.49 2k0f h VAL 104 N 0.02 1.12 -0.46 2.45 2.07 -0.85 -2.34 116.25 118.27 2k0f h VAL 104 Ca 0.29 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.62 2k0f h VAL 104 Cb 0.44 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 2k0f h VAL 104 CO -0.58 0.12 0.18 0.24 0.02 0.00 0.00 177.57 177.55 2k0f h MET 105 N 0.60 0.35 -0.42 1.57 2.07 -0.82 0.24 114.93 118.52 2k0f h MET 105 Ca 0.16 -0.02 0.08 0.00 -2.07 0.00 0.00 59.70 57.85 2k0f h MET 105 Cb -0.05 -0.08 -0.09 0.00 -1.87 0.00 0.00 31.60 29.51 2k0f h MET 105 CO -0.03 0.23 -0.34 1.15 1.07 0.00 0.00 176.91 178.99 2k0f h THR 106 N 0.36 0.21 0.00 2.22 2.02 -0.97 -0.56 112.91 116.19 2k0f h THR 106 Ca 0.21 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.39 2k0f h THR 106 Cb 0.19 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2k0f h THR 106 CO -0.20 0.00 0.00 0.78 0.37 0.00 0.00 175.52 176.47 2k0f h ASN 107 N -0.25 0.00 0.14 4.18 2.35 -1.11 -3.32 115.58 117.57 2k0f h ASN 107 Ca 0.18 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.74 2k0f h ASN 107 Cb 0.55 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.94 2k0f h ASN 107 CO -0.56 0.00 -0.82 0.25 -1.65 0.00 0.00 177.43 174.66 2k0f h LEU 108 N 0.00 0.48 0.00 1.61 5.85 0.52 -3.40 115.31 120.37 2k0f h LEU 108 Ca 0.00 -0.95 0.00 0.00 0.84 0.00 0.00 57.88 57.77 2k0f h LEU 108 Cb 0.54 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2k0f h LEU 108 CO 0.00 1.39 0.00 0.61 -0.34 0.00 0.00 178.44 180.10 2k0f n GLY 109 N 1.65 0.00 3.84 3.75 0.00 -0.32 -4.72 105.19 109.39 2k0f n GLY 109 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 4.00 -0.90 1.61 0.41 -0.63 -4.99 118.70 118.20 2k0f s GLU 110 Ca 0.00 0.95 -0.08 0.00 -0.41 0.00 0.00 54.97 55.43 2k0f s GLU 110 Cb 0.00 -2.17 0.23 0.00 -1.78 0.00 0.00 34.13 30.41 2k0f s GLU 110 CO 0.00 -0.20 0.83 0.15 -0.49 0.00 0.00 175.26 175.55 2k0f s LYS 111 N -3.85 3.57 -0.16 1.61 1.02 -1.26 -4.37 119.74 116.29 2k0f s LYS 111 Ca 0.59 -2.87 -0.19 0.00 0.02 0.00 0.00 55.97 53.52 2k0f s LYS 111 Cb -0.10 -4.27 -0.04 0.00 -0.52 0.00 0.00 37.83 32.91 2k0f s LYS 111 CO 0.27 -1.25 0.52 -0.51 -0.92 0.00 0.00 175.35 173.46 2k0f s LEU 112 N -0.62 4.20 0.75 3.17 1.43 -1.26 -5.08 118.68 121.28 2k0f s LEU 112 Ca 0.24 0.77 -0.09 0.00 -1.03 0.00 0.00 54.13 54.02 2k0f s LEU 112 Cb -0.11 -2.73 0.07 0.00 0.03 0.00 0.00 46.19 43.45 2k0f s LEU 112 CO -0.08 -0.11 1.08 0.42 0.23 0.00 0.00 176.35 177.88 2k0f s THR 113 N 1.22 2.17 0.18 5.49 -4.23 -1.26 -5.00 115.64 114.21 2k0f s THR 113 Ca 0.26 -0.17 -0.03 0.00 -1.18 0.00 0.00 61.69 60.56 2k0f s THR 113 Cb -0.15 -2.99 -0.08 0.00 1.34 0.00 0.00 72.50 70.61 2k0f s THR 113 CO 0.10 0.00 1.46 0.44 -0.54 0.00 0.00 174.62 176.09 2k0f h ASP 114 N -0.79 0.58 0.36 3.99 3.32 -2.02 -3.30 116.42 118.56 2k0f h ASP 114 Ca -0.45 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.25 2k0f h ASP 114 Cb 1.32 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 2k0f h ASP 114 CO 0.61 1.07 -0.22 -0.08 -1.72 0.00 0.00 179.24 178.90 2k0f h GLU 115 N 0.37 -0.54 -0.91 3.56 4.81 -1.99 -3.18 114.58 116.69 2k0f h GLU 115 Ca -0.01 0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.41 2k0f h GLU 115 Cb 1.20 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 30.61 2k0f h GLU 115 CO 0.12 -0.36 0.51 1.49 -0.73 0.00 0.00 179.01 180.03 2k0f h GLU 116 N -0.56 0.67 -0.09 1.92 4.81 -1.96 -1.25 114.58 118.12 2k0f h GLU 116 Ca -0.04 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 2k0f h GLU 116 Cb 0.46 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 2k0f h GLU 116 CO 0.04 0.45 -0.05 0.28 -0.73 0.00 0.00 179.01 178.99 2k0f h VAL 117 N 0.70 1.33 -0.83 0.32 2.07 -1.64 -0.73 116.25 117.46 2k0f h VAL 117 Ca 0.50 -1.10 0.14 0.00 0.82 0.00 0.00 66.70 67.06 2k0f h VAL 117 Cb 0.72 1.88 -0.09 0.00 -1.52 0.00 0.00 31.29 32.27 2k0f h VAL 117 CO -0.36 0.31 0.43 0.44 0.02 0.00 0.00 177.57 178.40 2k0f h ASP 118 N -0.19 0.52 0.84 0.57 3.32 -1.47 -1.90 116.42 118.12 2k0f h ASP 118 Ca 0.02 0.09 -0.14 0.00 0.02 0.00 0.00 57.03 57.02 2k0f h ASP 118 Cb 0.52 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 2k0f h ASP 118 CO 0.01 0.23 -0.66 -0.33 -1.72 0.00 0.00 179.24 176.77 2k0f h GLU 119 N 0.62 0.00 -0.45 3.56 5.08 -0.85 0.27 114.58 122.81 2k0f h GLU 119 Ca 0.45 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.71 2k0f h GLU 119 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2k0f h GLU 119 CO -0.35 0.66 -0.13 0.52 -1.00 0.00 0.00 179.01 178.70 2k0f h MET 120 N 0.00 0.88 -0.08 2.33 2.86 -0.87 -2.42 114.93 117.63 2k0f h MET 120 Ca -0.01 -0.35 -0.15 0.00 -2.06 0.00 0.00 59.70 57.14 2k0f h MET 120 Cb 1.26 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.88 2k0f h MET 120 CO 0.09 0.99 -0.53 0.82 1.06 0.00 0.00 176.91 179.34 2k0f h ILE 121 N 0.71 1.38 -0.77 -1.22 1.08 -0.78 -2.03 117.51 115.89 2k0f h ILE 121 Ca 0.11 -1.89 0.08 0.00 -0.39 0.00 0.00 64.86 62.77 2k0f h ILE 121 Cb 0.68 2.29 -0.07 0.00 -3.07 0.00 0.00 36.82 36.65 2k0f h ILE 121 CO 0.05 0.56 0.43 -0.09 -0.69 0.00 0.00 178.15 178.41 2k0f h ARG 122 N 0.07 0.74 -0.09 2.37 2.43 -0.55 0.54 114.38 119.89 2k0f h ARG 122 Ca -0.04 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 2k0f h ARG 122 Cb 1.19 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.57 2k0f h ARG 122 CO 0.11 0.49 0.02 1.49 -1.51 0.00 0.00 179.97 180.56 2k0f h GLU 123 N 0.76 0.14 0.21 0.20 4.81 -1.53 -3.38 114.58 115.79 2k0f h GLU 123 Ca 0.36 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 2k0f h GLU 123 Cb 0.28 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2k0f h GLU 123 CO -0.22 0.35 -0.10 0.00 -0.73 0.00 0.00 179.01 178.31 2k0f h ALA 124 N 0.79 -0.85 -2.59 2.92 0.00 -0.29 -3.45 119.26 115.77 2k0f h ALA 124 Ca 0.03 -0.06 -0.53 0.00 0.00 0.00 0.00 54.91 54.35 2k0f h ALA 124 Cb 0.28 0.11 0.04 0.00 0.00 0.00 0.00 17.79 18.21 2k0f h ALA 124 CO 0.00 -0.83 0.83 0.34 0.00 0.00 0.00 179.25 179.58 2k0f s ASP 125 N -2.77 6.66 -0.12 0.00 -1.08 0.01 -4.91 116.67 114.46 2k0f s ASP 125 Ca -0.04 2.53 0.14 0.00 -0.52 0.00 0.00 52.55 54.66 2k0f s ASP 125 Cb 0.00 -2.59 -0.19 0.00 -1.46 0.00 0.00 42.92 38.68 2k0f s ASP 125 CO 0.12 -0.77 0.12 0.00 0.52 0.00 0.00 175.17 175.16 2k0f n ILE 126 N 3.89 0.77 0.38 4.11 0.13 -1.26 -4.29 119.36 123.09 2k0f n ILE 126 Ca 0.13 -0.56 0.13 0.00 -1.10 0.00 0.00 62.75 61.34 2k0f n ILE 126 Cb 0.40 -0.44 0.28 0.00 -0.84 0.00 0.00 39.64 39.04 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 2.80 0.00 0.00 176.55 177.11 2k0f h ASP 127 N 0.00 0.00 0.00 9.51 3.04 -1.98 -3.48 116.42 123.51 2k0f h ASP 127 Ca -0.31 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.48 2k0f h ASP 127 Cb 1.63 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.92 2k0f h ASP 127 CO 0.02 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.83 2k0f n GLY 128 N 1.12 1.06 0.10 7.15 0.00 -1.26 -5.00 105.19 108.36 2k0f n GLY 128 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 1.36 -0.10 0.00 1.61 3.04 -1.93 -3.48 116.42 116.92 2k0f h ASP 129 Ca 0.00 -0.46 0.00 0.00 -3.24 0.00 0.00 57.03 53.33 2k0f h ASP 129 Cb 0.00 0.03 0.00 0.00 -1.04 0.00 0.00 39.33 38.32 2k0f h ASP 129 CO 0.00 0.45 0.00 0.61 -2.04 0.00 0.00 179.24 178.26 2k0f n GLY 130 N 0.46 1.25 3.57 7.15 0.00 -1.26 -5.12 105.19 111.24 2k0f n GLY 130 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 2k0f n GLY 130 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 131 N -0.23 2.09 -0.12 1.61 0.74 -1.26 -4.38 119.66 118.10 2k0f s GLN 131 Ca 0.00 -1.12 -0.07 0.00 0.05 0.00 0.00 55.36 54.21 2k0f s GLN 131 Cb 0.00 -2.24 -0.04 0.00 1.10 0.00 0.00 33.01 31.83 2k0f s GLN 131 CO 0.00 0.48 0.14 0.08 -0.55 0.00 0.00 175.29 175.44 2k0f s VAL 132 N -1.40 5.50 0.55 1.34 1.01 -0.56 -5.00 120.40 121.84 2k0f s VAL 132 Ca 0.23 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.49 2k0f s VAL 132 Cb -0.10 -3.41 0.06 0.00 0.00 0.00 0.00 36.38 32.93 2k0f s VAL 132 CO 0.14 0.61 0.51 -0.46 0.00 0.00 0.00 175.10 175.90 2k0f n ASN 133 N 2.06 2.59 0.21 3.32 0.23 -1.26 -1.56 115.26 120.85 2k0f n ASN 133 Ca -0.20 -2.80 -0.16 0.00 -0.53 0.00 0.00 54.58 50.90 2k0f n ASN 133 Cb 0.55 -0.14 -0.08 0.00 -2.08 0.00 0.00 39.78 38.03 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 0.53 -1.16 -0.75 -2.53 3.20 -1.99 -1.43 116.97 112.84 2k0f h TYR 134 Ca -0.33 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.54 2k0f h TYR 134 Cb 1.26 0.47 -0.04 0.00 1.54 0.00 0.00 36.73 39.96 2k0f h TYR 134 CO 0.00 -0.56 0.41 0.93 -1.64 0.00 0.00 178.16 177.30 2k0f h GLU 135 N -0.80 1.03 -0.61 1.82 5.08 -1.98 -1.09 114.58 118.04 2k0f h GLU 135 Ca -0.02 -0.11 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 135 Cb 0.74 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 2k0f h GLU 135 CO -0.12 0.76 0.29 1.49 -1.00 0.00 0.00 179.01 180.43 2k0f h GLU 136 N 1.04 0.51 0.00 2.33 4.81 -1.94 -0.21 114.58 121.12 2k0f h GLU 136 Ca 0.26 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 2k0f h GLU 136 Cb 0.03 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2k0f h GLU 136 CO -0.04 0.34 -0.33 0.35 -0.73 0.00 0.00 179.01 178.59 2k0f h PHE 137 N 0.52 0.00 -0.05 0.92 3.57 -0.70 -1.32 116.94 119.88 2k0f h PHE 137 Ca 0.29 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.56 2k0f h PHE 137 Cb 0.26 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.01 2k0f h PHE 137 CO -0.12 0.33 -0.88 0.28 -2.23 0.00 0.00 178.31 175.69 2k0f h VAL 138 N 0.00 1.34 0.01 1.41 2.07 0.18 -2.75 116.25 118.51 2k0f h VAL 138 Ca -0.00 -2.24 -0.21 0.00 0.82 0.00 0.00 66.70 65.07 2k0f h VAL 138 Cb 0.64 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 2k0f h VAL 138 CO 0.04 0.68 -0.99 -0.61 0.02 0.00 0.00 177.57 176.71 2k0f h GLN 139 N 0.34 0.03 -0.72 1.57 4.15 -0.99 0.41 115.11 119.91 2k0f h GLN 139 Ca -0.07 -0.05 0.14 0.00 0.77 0.00 0.00 58.65 59.43 2k0f h GLN 139 Cb 1.51 0.02 -0.10 0.00 0.21 0.00 0.00 27.48 29.12 2k0f h GLN 139 CO 0.16 0.99 0.25 1.98 -1.93 0.00 0.00 178.83 180.28 2k0f h MET 140 N 0.01 0.37 0.16 1.69 4.05 -1.18 -3.27 114.93 116.75 2k0f h MET 140 Ca -0.02 -0.02 -0.22 0.00 -0.28 0.00 0.00 59.70 59.15 2k0f h MET 140 Cb 1.73 -0.08 0.02 0.00 -0.80 0.00 0.00 31.60 32.47 2k0f h MET 140 CO 0.13 0.24 -1.01 0.52 0.23 0.00 0.00 176.91 177.03 2k0f h MET 141 N 0.38 0.34 -0.00 0.39 2.86 -1.26 -3.51 114.93 114.12 2k0f h MET 141 Ca 0.39 -0.58 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2k0f h MET 141 Cb 0.60 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.48 2k0f h MET 141 CO -0.42 1.28 0.00 0.25 1.06 0.00 0.00 176.91 179.08