#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 0.60 -0.44 -0.78 4.11 -2.06 -2.83 114.58 113.18 2k0f h GLU 2 Ca 0.00 -0.19 -0.12 0.00 0.07 0.00 0.00 59.36 59.12 2k0f h GLU 2 Cb 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2k0f h GLU 2 CO 0.00 0.71 -0.20 0.93 0.07 0.00 0.00 179.01 180.52 2k0f h GLU 3 N 0.54 0.91 -0.12 1.06 4.39 -2.06 -2.58 114.58 116.73 2k0f h GLU 3 Ca 0.10 -0.39 -0.03 0.00 0.34 0.00 0.00 59.36 59.38 2k0f h GLU 3 Cb 0.55 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2k0f h GLU 3 CO 0.03 1.05 -0.04 1.96 -1.16 0.00 0.00 179.01 180.86 2k0f h GLN 4 N 0.74 0.23 -0.92 2.33 4.20 -1.98 -3.16 115.11 116.55 2k0f h GLN 4 Ca 0.10 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 58.75 2k0f h GLN 4 Cb 0.77 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.48 2k0f h GLN 4 CO 0.06 0.54 0.60 0.82 -0.67 0.00 0.00 178.83 180.19 2k0f h ILE 5 N -0.09 1.16 -0.03 2.54 2.04 -1.48 -2.32 117.51 119.32 2k0f h ILE 5 Ca 0.03 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 2k0f h ILE 5 Cb 0.46 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2k0f h ILE 5 CO 0.01 0.21 -0.16 0.00 0.00 0.00 0.00 178.15 178.21 2k0f h ALA 6 N 1.38 1.67 -0.15 1.87 0.00 -1.54 0.46 119.26 122.95 2k0f h ALA 6 Ca 0.37 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 2k0f h ALA 6 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2k0f h ALA 6 CO -0.12 0.24 -0.66 1.49 0.00 0.00 0.00 179.25 180.20 2k0f h GLU 7 N 0.05 0.57 -0.30 0.00 4.57 -1.42 -2.56 114.58 115.49 2k0f h GLU 7 Ca 0.01 -0.42 -0.06 0.00 -1.18 0.00 0.00 59.36 57.71 2k0f h GLU 7 Cb 0.32 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2k0f h GLU 7 CO 0.02 1.04 -0.03 0.74 -1.18 0.00 0.00 179.01 179.60 2k0f h PHE 8 N 0.41 0.62 -0.49 0.92 0.04 -0.82 -2.36 116.94 115.26 2k0f h PHE 8 Ca -0.02 -0.12 0.14 0.00 2.80 0.00 0.00 57.97 60.77 2k0f h PHE 8 Cb 1.24 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 39.21 2k0f h PHE 8 CO 0.06 0.72 0.36 -0.22 -0.60 0.00 0.00 178.31 178.62 2k0f h LYS 9 N 0.34 0.00 -0.53 1.51 3.64 -0.94 0.51 116.57 121.11 2k0f h LYS 9 Ca 0.08 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2k0f h LYS 9 Cb 0.49 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2k0f h LYS 9 CO 0.02 0.00 0.10 1.49 -2.27 0.00 0.00 179.45 178.79 2k0f h GLU 10 N 0.00 0.87 -0.56 1.90 4.57 -1.22 -1.54 114.58 118.60 2k0f h GLU 10 Ca 0.23 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2k0f h GLU 10 Cb 0.95 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.41 2k0f h GLU 10 CO -0.00 0.84 0.31 0.00 -1.18 0.00 0.00 179.01 178.98 2k0f h ALA 11 N 0.99 0.72 -0.36 2.92 0.00 -0.64 0.22 119.26 123.12 2k0f h ALA 11 Ca 0.16 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2k0f h ALA 11 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2k0f h ALA 11 CO 0.01 0.23 -0.34 0.35 0.00 0.00 0.00 179.25 179.50 2k0f h PHE 12 N 0.75 0.94 -0.28 0.00 3.57 -0.96 -1.76 116.94 119.21 2k0f h PHE 12 Ca 0.20 -0.26 0.06 0.00 3.53 0.00 0.00 57.97 61.50 2k0f h PHE 12 Cb 0.04 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.52 2k0f h PHE 12 CO -0.01 1.02 -0.09 0.77 -2.23 0.00 0.00 178.31 177.77 2k0f h SER 13 N 0.67 -0.33 -0.39 0.41 0.02 -1.14 -2.90 113.55 109.90 2k0f h SER 13 Ca 0.07 0.09 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 2k0f h SER 13 Cb 0.88 0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.56 2k0f h SER 13 CO 0.08 -0.12 -0.02 0.25 -1.14 0.00 0.00 176.83 175.88 2k0f h LEU 14 N -0.04 -0.20 -1.60 5.07 5.85 -0.33 -3.00 115.31 121.06 2k0f h LEU 14 Ca 0.14 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 2k0f h LEU 14 Cb 0.24 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2k0f h LEU 14 CO -0.31 -0.06 -0.20 -0.26 -0.34 0.00 0.00 178.44 177.27 2k0f h PHE 15 N 0.08 0.00 -3.98 1.25 0.04 -1.25 -3.45 116.94 109.63 2k0f h PHE 15 Ca 0.19 0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.51 2k0f h PHE 15 Cb 0.27 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 2k0f h PHE 15 CO -0.28 0.20 0.33 0.34 -0.60 0.00 0.00 178.31 178.31 2k0f s ASP 16 N -6.37 7.10 -0.20 2.17 -1.08 -1.10 -4.63 116.67 112.55 2k0f s ASP 16 Ca -0.02 1.74 -0.09 0.00 -0.52 0.00 0.00 52.55 53.65 2k0f s ASP 16 Cb 0.13 -2.55 -0.20 0.00 -1.46 0.00 0.00 42.92 38.84 2k0f s ASP 16 CO 0.63 -0.23 0.05 1.17 0.52 0.00 0.00 175.17 177.31 2k0f n LYS 17 N -0.13 0.66 0.02 4.34 4.81 -1.26 -4.50 118.16 122.10 2k0f n LYS 17 Ca 0.05 0.30 -0.19 0.00 -0.87 0.00 0.00 58.31 57.60 2k0f n LYS 17 Cb 0.52 -1.63 -0.10 0.00 0.02 0.00 0.00 35.03 33.84 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2k0f h ASP 18 N -0.38 0.76 -0.29 3.14 3.32 -1.95 -3.48 116.42 117.54 2k0f h ASP 18 Ca -0.50 -0.74 0.00 0.00 0.02 0.00 0.00 57.03 55.81 2k0f h ASP 18 Cb 1.76 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 41.08 2k0f h ASP 18 CO -0.12 1.40 0.00 0.61 -1.72 0.00 0.00 179.24 179.41 2k0f n GLY 19 N 1.05 0.69 0.00 2.75 0.00 -1.26 -5.06 105.19 103.36 2k0f n GLY 19 Ca -0.11 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 1.63 0.00 0.00 1.61 5.75 -1.26 -5.06 116.55 119.21 2k0f n ASP 20 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2k0f n ASP 20 Cb 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 2.65 0.22 3.20 6.12 0.00 -1.26 -5.15 105.19 110.97 2k0f n GLY 21 Ca 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.99 0.94 -0.15 2.61 -4.23 -1.26 -4.59 115.64 107.97 2k0f s THR 22 Ca 0.00 -1.93 -0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2k0f s THR 22 Cb 0.00 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 72.13 2k0f s THR 22 CO 0.00 -0.76 -0.03 -0.63 -0.54 0.00 0.00 174.62 172.66 2k0f s ILE 23 N -3.26 3.96 0.41 2.99 1.01 -1.01 -4.97 121.20 120.33 2k0f s ILE 23 Ca 0.12 -0.34 0.08 0.00 0.00 0.00 0.00 60.65 60.51 2k0f s ILE 23 Cb 0.03 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 2k0f s ILE 23 CO -0.02 0.50 0.39 0.42 0.00 0.00 0.00 174.94 176.23 2k0f s THR 24 N 0.25 2.80 0.35 2.92 -4.23 -1.26 -2.36 115.64 114.10 2k0f s THR 24 Ca -0.02 -1.31 0.31 0.00 -1.18 0.00 0.00 61.69 59.49 2k0f s THR 24 Cb -0.14 -3.02 0.33 0.00 1.34 0.00 0.00 72.50 71.01 2k0f s THR 24 CO 0.03 -0.02 2.07 0.71 -0.54 0.00 0.00 174.62 176.86 2k0f h THR 25 N 1.01 0.34 0.56 3.99 1.35 -1.97 -2.36 112.91 115.84 2k0f h THR 25 Ca -0.42 -0.52 -0.02 0.00 -0.55 0.00 0.00 66.41 64.90 2k0f h THR 25 Cb 1.27 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 69.06 2k0f h THR 25 CO 0.56 0.09 -0.40 0.11 -0.25 0.00 0.00 175.52 175.63 2k0f h LYS 26 N 0.00 -0.89 -0.48 4.72 1.79 -1.98 -2.57 116.57 117.17 2k0f h LYS 26 Ca -0.00 0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.47 2k0f h LYS 26 Cb 0.38 0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.21 2k0f h LYS 26 CO 0.01 -0.59 0.05 0.93 -1.08 0.00 0.00 179.45 178.77 2k0f h GLU 27 N -0.92 0.81 -0.13 3.15 5.08 -1.79 -0.44 114.58 120.34 2k0f h GLU 27 Ca -0.07 -0.23 -0.18 0.00 -1.00 0.00 0.00 59.36 57.87 2k0f h GLU 27 Cb 0.75 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.93 2k0f h GLU 27 CO 0.04 0.83 -0.64 1.25 -1.00 0.00 0.00 179.01 179.49 2k0f h LEU 28 N 0.67 0.79 -2.04 1.33 5.85 -1.70 -2.60 115.31 117.61 2k0f h LEU 28 Ca 0.14 -0.64 0.05 0.00 0.84 0.00 0.00 57.88 58.28 2k0f h LEU 28 Cb 0.44 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2k0f h LEU 28 CO 0.02 1.29 0.14 1.23 -0.34 0.00 0.00 178.44 180.78 2k0f h GLY 29 N 0.33 0.00 1.21 3.75 0.00 -0.82 -1.76 103.07 105.78 2k0f h GLY 29 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.96 2k0f h GLY 29 CO 0.13 0.00 -1.54 -0.84 0.00 0.00 0.00 176.54 174.29 2k0f h THR 30 N 0.00 1.19 0.28 4.70 2.02 -0.95 -1.14 112.91 119.00 2k0f h THR 30 Ca 0.09 -2.72 -0.01 0.00 0.77 0.00 0.00 66.41 64.54 2k0f h THR 30 Cb 0.37 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.68 2k0f h THR 30 CO -0.00 0.84 -0.13 0.58 0.37 0.00 0.00 175.52 177.17 2k0f h VAL 31 N 0.11 0.73 -0.90 3.16 2.07 -1.36 -2.57 116.25 117.50 2k0f h VAL 31 Ca -0.26 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.32 2k0f h VAL 31 Cb 2.10 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 32.55 2k0f h VAL 31 CO 0.22 0.00 0.58 0.24 0.02 0.00 0.00 177.57 178.63 2k0f h MET 32 N -0.39 0.93 0.00 1.57 2.86 -1.09 -0.60 114.93 118.21 2k0f h MET 32 Ca -0.04 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.47 2k0f h MET 32 Cb 0.30 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2k0f h MET 32 CO 0.06 0.61 -0.36 0.00 1.06 0.00 0.00 176.91 178.28 2k0f h ARG 33 N 0.96 0.00 -0.28 1.72 3.08 -0.60 -0.91 114.38 118.35 2k0f h ARG 33 Ca 0.40 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.28 2k0f h ARG 33 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2k0f h ARG 33 CO -0.16 0.36 -0.49 0.77 -1.07 0.00 0.00 179.97 179.38 2k0f h SER 34 N 0.00 0.92 0.37 7.04 0.02 -0.72 -3.31 113.55 117.88 2k0f h SER 34 Ca -0.00 -0.53 -0.02 0.00 -0.84 0.00 0.00 61.79 60.40 2k0f h SER 34 Cb 0.66 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2k0f h SER 34 CO 0.05 1.28 -0.18 -0.07 -1.14 0.00 0.00 176.83 176.76 2k0f h LEU 35 N 0.60 -0.42 0.00 5.07 3.38 -0.70 -3.47 115.31 119.78 2k0f h LEU 35 Ca 0.02 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2k0f h LEU 35 Cb 1.10 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2k0f h LEU 35 CO 0.11 -0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.24 2k0f n GLY 36 N -0.12 -0.78 3.35 0.83 0.00 -0.43 -5.02 105.19 103.02 2k0f n GLY 36 Ca -0.09 0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 0.41 -0.76 1.61 0.74 -0.70 -4.98 119.66 115.98 2k0f s GLN 37 Ca 0.00 1.03 -0.04 0.00 0.05 0.00 0.00 55.36 56.40 2k0f s GLN 37 Cb 0.00 0.27 0.19 0.00 1.10 0.00 0.00 33.01 34.58 2k0f s GLN 37 CO 0.00 -0.21 0.62 -0.80 -0.55 0.00 0.00 175.29 174.36 2k0f s ASN 38 N 2.18 5.74 0.76 6.67 0.01 -1.26 -2.03 114.94 127.01 2k0f s ASN 38 Ca -0.05 -3.19 -0.11 0.00 -0.71 0.00 0.00 52.86 48.79 2k0f s ASN 38 Cb -0.10 -1.92 0.05 0.00 0.41 0.00 0.00 41.25 39.68 2k0f s ASN 38 CO -0.14 -0.32 1.08 -2.16 -1.51 0.00 0.00 177.10 174.05 2k0f s PRO 39 N -0.57 2.41 0.21 -0.60 0.04 -1.26 -5.05 135.00 130.17 2k0f s PRO 39 Ca 0.21 0.80 -0.13 0.00 0.04 0.00 0.00 61.00 61.93 2k0f s PRO 39 Cb -0.14 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 2k0f s PRO 39 CO -0.07 -1.43 0.59 0.99 0.04 0.00 0.00 177.00 177.11 2k0f s THR 40 N -3.09 4.84 0.07 1.26 2.01 -1.26 -4.96 115.64 114.51 2k0f s THR 40 Ca 0.60 0.76 -0.19 0.00 0.31 0.00 0.00 61.69 63.16 2k0f s THR 40 Cb -0.15 -3.69 -0.10 0.00 0.01 0.00 0.00 72.50 68.58 2k0f s THR 40 CO 0.55 0.07 1.49 -0.33 -0.69 0.00 0.00 174.62 175.71 2k0f h GLU 41 N 3.01 0.41 -0.69 4.92 4.39 -1.98 0.31 114.58 124.97 2k0f h GLU 41 Ca -0.48 -0.15 0.15 0.00 0.34 0.00 0.00 59.36 59.22 2k0f h GLU 41 Cb 1.18 -0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 29.68 2k0f h GLU 41 CO 0.67 0.63 -0.04 0.00 -1.16 0.00 0.00 179.01 179.11 2k0f h ALA 42 N 0.77 0.64 0.00 3.43 0.00 -1.99 -1.28 119.26 120.83 2k0f h ALA 42 Ca 0.06 0.23 -0.19 0.00 0.00 0.00 0.00 54.91 55.01 2k0f h ALA 42 Cb 0.46 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2k0f h ALA 42 CO 0.02 -0.41 -0.89 1.49 0.00 0.00 0.00 179.25 179.46 2k0f h GLU 43 N 0.08 0.03 0.00 0.00 4.81 -1.91 -2.06 114.58 115.53 2k0f h GLU 43 Ca 0.36 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.52 2k0f h GLU 43 Cb 0.60 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 2k0f h GLU 43 CO -0.62 0.89 -0.13 1.25 -0.73 0.00 0.00 179.01 179.67 2k0f h LEU 44 N 0.01 0.00 -0.02 1.64 5.85 0.24 -2.64 115.31 120.40 2k0f h LEU 44 Ca -0.02 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 2k0f h LEU 44 Cb 1.56 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.60 2k0f h LEU 44 CO 0.12 0.13 -0.57 -0.61 -0.34 0.00 0.00 178.44 177.17 2k0f h GLN 45 N 0.00 0.42 -0.33 1.25 5.75 -1.15 -2.83 115.11 118.21 2k0f h GLN 45 Ca -0.00 -0.43 0.07 0.00 -0.15 0.00 0.00 58.65 58.15 2k0f h GLN 45 Cb 0.25 0.12 -0.08 0.00 1.07 0.00 0.00 27.48 28.83 2k0f h GLN 45 CO 0.02 1.08 -0.30 0.22 -2.65 0.00 0.00 178.83 177.21 2k0f h ASP 46 N -0.08 -0.97 -0.57 -0.69 3.58 -1.05 0.14 116.42 116.77 2k0f h ASP 46 Ca -0.07 0.17 0.11 0.00 0.42 0.00 0.00 57.03 57.66 2k0f h ASP 46 Cb 1.27 0.45 -0.08 0.00 1.72 0.00 0.00 39.33 42.69 2k0f h ASP 46 CO 0.11 -0.31 0.09 0.24 -2.88 0.00 0.00 179.24 176.50 2k0f h MET 47 N -0.26 0.21 0.02 0.28 2.86 -1.54 -2.09 114.93 114.42 2k0f h MET 47 Ca 0.16 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.80 2k0f h MET 47 Cb 0.52 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 2k0f h MET 47 CO -0.48 0.14 -0.11 0.82 1.06 0.00 0.00 176.91 178.34 2k0f h ILE 48 N 0.22 0.73 -0.16 -1.22 1.08 -1.20 -3.33 117.51 113.63 2k0f h ILE 48 Ca 0.30 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.81 2k0f h ILE 48 Cb 0.44 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 2k0f h ILE 48 CO -0.40 0.00 0.29 0.78 -0.69 0.00 0.00 178.15 178.13 2k0f h ASN 49 N -0.20 0.00 0.64 1.72 4.21 -0.01 0.60 115.58 122.54 2k0f h ASN 49 Ca 0.03 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.51 2k0f h ASN 49 Cb 0.24 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.45 2k0f h ASN 49 CO -0.10 0.00 -0.31 -0.33 -1.29 0.00 0.00 177.43 175.41 2k0f h GLU 50 N 0.00 -0.83 -0.29 0.81 4.39 -1.65 -3.31 114.58 113.70 2k0f h GLU 50 Ca 0.07 0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 2k0f h GLU 50 Cb 0.66 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 2k0f h GLU 50 CO -0.00 -0.51 -0.05 0.28 -1.16 0.00 0.00 179.01 177.56 2k0f h VAL 51 N -1.12 1.28 -1.89 3.13 2.07 -1.13 -3.41 116.25 115.18 2k0f h VAL 51 Ca -0.09 -1.06 -0.49 0.00 0.82 0.00 0.00 66.70 65.88 2k0f h VAL 51 Cb 0.70 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 2k0f h VAL 51 CO 0.14 0.34 1.33 -0.62 0.02 0.00 0.00 177.57 178.78 2k0f s ASP 52 N -6.13 5.23 0.34 0.57 2.15 0.00 -4.87 116.67 113.96 2k0f s ASP 52 Ca -0.13 0.31 0.08 0.00 0.43 0.00 0.00 52.55 53.24 2k0f s ASP 52 Cb 0.08 -2.53 0.62 0.00 -0.30 0.00 0.00 42.92 40.79 2k0f s ASP 52 CO 0.77 -2.42 1.80 0.00 -0.17 0.00 0.00 175.17 175.16 2k0f h ALA 53 N 14.93 1.30 0.84 3.66 0.00 -1.86 -3.28 119.26 134.86 2k0f h ALA 53 Ca -0.24 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 2k0f h ALA 53 Cb 1.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2k0f h ALA 53 CO 1.22 0.48 -0.44 -0.44 0.00 0.00 0.00 179.25 180.07 2k0f h ASP 54 N 0.20 -1.05 -0.03 0.00 3.32 -1.94 -3.48 116.42 113.44 2k0f h ASP 54 Ca 0.03 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2k0f h ASP 54 Cb 0.61 0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2k0f h ASP 54 CO 0.04 -0.72 0.00 0.61 -1.72 0.00 0.00 179.24 177.46 2k0f n GLY 55 N -1.60 1.58 0.45 2.75 0.00 -1.24 -5.03 105.19 102.11 2k0f n GLY 55 Ca -0.15 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 45.85 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 0.14 2.18 0.00 1.61 6.94 -1.26 -5.01 115.26 119.87 2k0f n ASN 56 Ca 0.00 -1.63 0.00 0.00 -0.02 0.00 0.00 54.58 52.93 2k0f n ASN 56 Cb 0.04 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 57 N 0.48 0.55 3.36 4.83 0.00 -1.26 -5.02 105.19 108.13 2k0f n GLY 57 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.25 1.60 -0.23 2.61 -4.23 -1.26 -4.71 115.64 107.18 2k0f s THR 58 Ca 0.00 -2.16 -0.10 0.00 -1.18 0.00 0.00 61.69 58.25 2k0f s THR 58 Cb 0.00 -2.19 -0.05 0.00 1.34 0.00 0.00 72.50 71.60 2k0f s THR 58 CO 0.00 -0.48 0.15 -0.51 -0.54 0.00 0.00 174.62 173.24 2k0f s ILE 59 N -3.06 5.37 0.44 2.99 2.07 -1.00 -4.76 121.20 123.26 2k0f s ILE 59 Ca 0.25 0.19 0.02 0.00 -1.41 0.00 0.00 60.65 59.71 2k0f s ILE 59 Cb 0.02 -3.49 0.00 0.00 0.13 0.00 0.00 42.46 39.12 2k0f s ILE 59 CO 0.08 0.38 0.64 -1.81 -1.91 0.00 0.00 174.94 172.32 2k0f s ASP 60 N 0.82 5.74 0.10 4.50 1.01 -1.26 -2.39 116.67 125.19 2k0f s ASP 60 Ca 0.08 0.09 -0.23 0.00 0.71 0.00 0.00 52.55 53.19 2k0f s ASP 60 Cb -0.13 -1.29 -0.11 0.00 1.01 0.00 0.00 42.92 42.40 2k0f s ASP 60 CO 0.02 -0.74 1.71 0.15 0.21 0.00 0.00 175.17 176.53 2k0f h PHE 61 N 0.45 -0.16 0.00 4.23 3.57 -1.99 -0.78 116.94 122.25 2k0f h PHE 61 Ca -0.45 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2k0f h PHE 61 Cb 1.26 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2k0f h PHE 61 CO 0.43 -0.10 0.00 -0.35 -2.23 0.00 0.00 178.31 176.05 2k0f n PRO 62 N -5.18 0.11 -0.02 6.41 -0.04 -1.26 -2.08 135.00 132.93 2k0f n PRO 62 Ca -0.06 0.49 -0.15 0.00 -0.04 0.00 0.00 63.50 63.73 2k0f n PRO 62 Cb 0.11 -1.77 -0.11 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 0.24 -0.18 0.54 5.08 -1.55 -2.85 114.58 115.85 2k0f h GLU 63 Ca 0.00 -0.23 0.05 0.00 -1.00 0.00 0.00 59.36 58.19 2k0f h GLU 63 Cb 0.14 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 2k0f h GLU 63 CO 0.00 0.92 -0.26 0.35 -1.00 0.00 0.00 179.01 179.02 2k0f h PHE 64 N -0.35 -0.70 -0.92 4.33 3.57 -1.13 -0.85 116.94 120.89 2k0f h PHE 64 Ca -0.03 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.53 2k0f h PHE 64 Cb 1.00 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 40.02 2k0f h PHE 64 CO 0.16 -0.34 0.60 -0.07 -2.23 0.00 0.00 178.31 176.43 2k0f h LEU 65 N -0.30 1.02 -0.24 0.59 3.38 -1.50 -0.62 115.31 117.64 2k0f h LEU 65 Ca 0.12 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.87 2k0f h LEU 65 Cb 0.48 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2k0f h LEU 65 CO -0.36 0.71 -0.65 0.74 0.09 0.00 0.00 178.44 178.97 2k0f h THR 66 N 1.19 1.27 -0.25 0.22 2.02 -1.21 0.42 112.91 116.57 2k0f h THR 66 Ca 0.36 -1.84 -0.09 0.00 0.77 0.00 0.00 66.41 65.60 2k0f h THR 66 Cb -0.04 1.79 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2k0f h THR 66 CO -0.11 0.59 -0.21 -0.03 0.37 0.00 0.00 175.52 176.13 2k0f h MET 67 N 0.61 0.59 -0.05 6.66 1.85 -0.91 -2.75 114.93 120.95 2k0f h MET 67 Ca -0.02 -0.30 -0.06 0.00 -0.61 0.00 0.00 59.70 58.72 2k0f h MET 67 Cb 1.27 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.30 2k0f h MET 67 CO 0.14 0.89 -0.26 0.52 -0.40 0.00 0.00 176.91 177.80 2k0f h MET 68 N 0.30 0.08 -0.00 0.39 2.86 -1.03 -3.02 114.93 114.51 2k0f h MET 68 Ca 0.04 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2k0f h MET 68 Cb 0.76 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.41 2k0f h MET 68 CO 0.05 0.33 -0.08 0.00 1.06 0.00 0.00 176.91 178.28 2k0f n ALA 69 N -2.49 2.54 -2.58 6.32 0.00 0.13 -4.77 120.51 119.66 2k0f n ALA 69 Ca -0.02 -0.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 2k0f n ALA 69 Cb 0.33 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -2.98 3.63 -0.15 0.00 6.06 -1.05 -5.00 118.95 119.45 2k0f s ARG 70 Ca 0.14 0.36 -0.16 0.00 -2.50 0.00 0.00 55.73 53.57 2k0f s ARG 70 Cb 0.19 -3.91 -0.04 0.00 0.06 0.00 0.00 34.95 31.24 2k0f s ARG 70 CO 0.55 -1.28 0.39 0.21 -2.50 0.00 0.00 175.30 172.67 2k0f s LYS 71 N 4.06 4.27 0.56 5.12 2.20 -1.26 -5.02 119.74 129.67 2k0f s LYS 71 Ca 0.42 0.26 0.01 0.00 -0.36 0.00 0.00 55.97 56.31 2k0f s LYS 71 Cb -0.09 -3.46 0.11 0.00 -1.51 0.00 0.00 37.83 32.88 2k0f s LYS 71 CO 0.28 0.14 0.77 -1.33 -0.36 0.00 0.00 175.35 174.85 2k0f n MET 72 N 3.84 0.15 -1.75 4.03 2.81 -1.26 -5.09 117.12 119.84 2k0f n MET 72 Ca -0.09 -2.23 -0.30 0.00 -1.81 0.00 0.00 57.70 53.27 2k0f n MET 72 Cb 0.52 -0.47 0.08 0.00 -0.71 0.00 0.00 33.22 32.63 2k0f n MET 72 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2k0f s LYS 73 N -4.48 2.24 0.00 0.03 -2.85 -1.26 -4.76 119.74 108.65 2k0f s LYS 73 Ca 0.52 0.41 0.03 0.00 -1.00 0.00 0.00 55.97 55.94 2k0f s LYS 73 Cb -0.03 -1.96 0.21 0.00 -2.06 0.00 0.00 37.83 33.99 2k0f s LYS 73 CO 0.34 -1.46 1.11 -0.40 0.10 0.00 0.00 175.35 175.05 2k0f n ASP 74 N -3.29 0.00 -0.08 0.03 5.68 -1.26 -1.64 116.55 115.99 2k0f n ASP 74 Ca 0.07 -1.85 -0.07 0.00 -0.50 0.00 0.00 54.79 52.44 2k0f n ASP 74 Cb 0.58 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.53 2k0f n ASP 74 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2k0f n THR 75 N -0.56 1.45 -0.30 2.12 -2.24 -1.26 -4.16 114.28 109.33 2k0f n THR 75 Ca 0.03 0.17 0.13 0.00 -2.27 0.00 0.00 64.05 62.11 2k0f n THR 75 Cb 0.01 -2.36 0.30 0.00 -2.10 0.00 0.00 70.33 66.18 2k0f n THR 75 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 76 N -1.00 0.27 0.35 3.42 3.32 -1.87 0.65 116.42 121.57 2k0f h ASP 76 Ca -0.03 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2k0f h ASP 76 Cb 0.71 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2k0f h ASP 76 CO -0.02 -0.02 0.00 -1.20 -1.72 0.00 0.00 179.24 176.28 2k0f n SER 77 N -5.07 0.00 -0.11 6.45 7.64 -0.65 -2.36 113.62 119.51 2k0f n SER 77 Ca 0.22 -0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.92 2k0f n SER 77 Cb 0.65 -0.28 -0.09 0.00 -1.01 0.00 0.00 64.21 63.48 2k0f n SER 77 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k0f n GLU 78 N -1.28 0.52 -0.28 1.43 2.13 0.14 -4.62 120.64 118.67 2k0f n GLU 78 Ca 0.09 0.15 0.07 0.00 0.66 0.00 0.00 57.16 58.13 2k0f n GLU 78 Cb 0.15 -1.40 0.22 0.00 0.27 0.00 0.00 31.44 30.68 2k0f n GLU 78 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2k0f h GLU 79 N -0.21 0.50 -0.62 5.31 4.81 -1.02 -0.37 114.58 122.99 2k0f h GLU 79 Ca -0.50 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 2k0f h GLU 79 Cb 1.68 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.91 2k0f h GLU 79 CO -0.14 0.33 0.33 1.05 -0.73 0.00 0.00 179.01 179.85 2k0f h GLU 80 N 0.52 0.85 -0.02 1.92 4.11 -1.73 0.36 114.58 120.59 2k0f h GLU 80 Ca 0.46 -0.09 -0.20 0.00 0.07 0.00 0.00 59.36 59.60 2k0f h GLU 80 Cb 0.70 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2k0f h GLU 80 CO -0.40 0.64 -0.84 0.82 0.07 0.00 0.00 179.01 179.30 2k0f h ILE 81 N 0.86 1.43 -0.16 -1.06 2.04 -1.35 -2.24 117.51 117.03 2k0f h ILE 81 Ca 0.22 -2.41 -0.07 0.00 1.00 0.00 0.00 64.86 63.60 2k0f h ILE 81 Cb 0.04 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 2k0f h ILE 81 CO -0.03 0.71 -0.21 0.03 0.00 0.00 0.00 178.15 178.65 2k0f h ARG 82 N 0.19 0.28 0.02 2.37 2.47 -0.51 0.14 114.38 119.33 2k0f h ARG 82 Ca -0.05 -0.08 -0.21 0.00 -1.26 0.00 0.00 59.98 58.38 2k0f h ARG 82 Cb 1.45 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.73 2k0f h ARG 82 CO 0.14 0.49 -0.94 0.93 0.56 0.00 0.00 179.97 181.15 2k0f h GLU 83 N 0.26 0.22 -0.35 0.04 4.39 -0.99 -1.74 114.58 116.40 2k0f h GLU 83 Ca 0.04 -0.26 -0.10 0.00 0.34 0.00 0.00 59.36 59.38 2k0f h GLU 83 Cb 0.52 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2k0f h GLU 83 CO 0.04 1.01 -0.19 0.00 -1.16 0.00 0.00 179.01 178.70 2k0f h ALA 84 N 0.90 0.50 -0.71 3.43 0.00 -1.10 -3.16 119.26 119.11 2k0f h ALA 84 Ca -0.06 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.51 2k0f h ALA 84 Cb 1.59 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 2k0f h ALA 84 CO 0.15 0.44 0.47 0.35 0.00 0.00 0.00 179.25 180.66 2k0f h PHE 85 N 0.53 0.88 0.00 0.00 3.04 -0.52 -2.64 116.94 118.24 2k0f h PHE 85 Ca 0.08 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.05 2k0f h PHE 85 Cb 0.74 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.95 2k0f h PHE 85 CO 0.06 0.55 0.00 -0.09 -2.02 0.00 0.00 178.31 176.81 2k0f h ARG 86 N 0.95 0.00 0.00 1.11 2.43 -1.28 -1.33 114.38 116.25 2k0f h ARG 86 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2k0f h ARG 86 Cb -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2k0f h ARG 86 CO -0.06 0.00 -0.18 0.28 -1.51 0.00 0.00 179.97 178.50 2k0f h VAL 87 N 0.00 0.00 0.00 0.20 2.07 -1.50 -3.31 116.25 113.71 2k0f h VAL 87 Ca 0.00 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 2k0f h VAL 87 Cb 0.54 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2k0f h VAL 87 CO 0.00 0.00 -0.24 -0.26 0.02 0.00 0.00 177.57 177.09 2k0f h PHE 88 N 0.00 0.00 -3.24 1.57 0.04 -1.34 -3.45 116.94 110.53 2k0f h PHE 88 Ca 0.00 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.19 2k0f h PHE 88 Cb 0.95 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.03 2k0f h PHE 88 CO 0.00 0.45 0.79 0.34 -0.60 0.00 0.00 178.31 179.29 2k0f s ASP 89 N -5.92 6.97 -0.11 2.17 2.15 -0.94 -4.77 116.67 116.21 2k0f s ASP 89 Ca -0.11 1.14 -0.05 0.00 0.43 0.00 0.00 52.55 53.96 2k0f s ASP 89 Cb 0.00 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 40.08 2k0f s ASP 89 CO 0.30 -0.78 -0.10 0.11 -0.17 0.00 0.00 175.17 174.53 2k0f h LYS 90 N 7.86 0.00 0.00 4.34 1.79 -1.87 -3.44 116.57 125.25 2k0f h LYS 90 Ca -0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 2k0f h LYS 90 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 2k0f h LYS 90 CO 1.00 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.97 2k0f n ASP 91 N -4.46 0.00 0.00 0.86 5.68 -1.26 -4.98 116.55 112.39 2k0f n ASP 91 Ca -0.04 0.75 0.00 0.00 -0.50 0.00 0.00 54.79 55.01 2k0f n ASP 91 Cb 0.15 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 2k0f n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 92 N -0.83 0.04 0.14 6.12 0.00 -1.26 -5.05 105.19 104.35 2k0f n GLY 92 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 7.08 -1.96 -3.47 115.58 118.84 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 93 CO 0.00 0.44 0.00 0.61 -2.08 0.00 0.00 177.43 176.40 2k0f n GLY 94 N 1.23 0.58 3.17 9.14 0.00 -1.26 -5.03 105.19 113.01 2k0f n GLY 94 Ca 0.01 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 2.64 -0.33 1.61 2.02 -1.26 -3.83 117.35 116.19 2k0f s TYR 95 Ca 0.00 -1.30 -0.25 0.00 -0.37 0.00 0.00 57.07 55.15 2k0f s TYR 95 Cb 0.00 -1.79 0.01 0.00 -0.40 0.00 0.00 41.96 39.78 2k0f s TYR 95 CO 0.00 -0.59 0.87 0.42 -1.57 0.00 0.00 175.55 174.68 2k0f s ILE 96 N 0.76 4.68 0.77 2.71 1.01 0.56 -4.85 121.20 126.84 2k0f s ILE 96 Ca -0.08 1.23 -0.06 0.00 0.00 0.00 0.00 60.65 61.73 2k0f s ILE 96 Cb -0.16 -4.25 0.12 0.00 0.01 0.00 0.00 42.46 38.18 2k0f s ILE 96 CO -0.01 -0.39 1.07 -0.94 0.00 0.00 0.00 174.94 174.67 2k0f s SER 97 N 1.72 4.24 0.25 3.58 1.04 -1.26 -0.65 113.70 122.63 2k0f s SER 97 Ca 0.36 0.06 -0.02 0.00 0.48 0.00 0.00 55.95 56.83 2k0f s SER 97 Cb -0.13 -0.47 0.32 0.00 0.10 0.00 0.00 66.02 65.84 2k0f s SER 97 CO 0.15 -1.96 1.73 0.00 0.98 0.00 0.00 173.24 174.15 2k0f h ALA 98 N -0.79 1.06 -0.35 5.32 0.00 -1.96 -2.36 119.26 120.18 2k0f h ALA 98 Ca -0.41 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 2k0f h ALA 98 Cb 1.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2k0f h ALA 98 CO 0.46 0.58 0.12 0.00 0.00 0.00 0.00 179.25 180.41 2k0f h ALA 99 N 1.23 0.45 0.00 0.00 0.00 -1.99 -2.26 119.26 116.69 2k0f h ALA 99 Ca 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2k0f h ALA 99 Cb 0.54 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2k0f h ALA 99 CO 0.03 0.07 -0.04 0.93 0.00 0.00 0.00 179.25 180.24 2k0f h GLU 100 N 0.41 0.00 0.09 0.00 5.08 -1.79 -2.59 114.58 115.78 2k0f h GLU 100 Ca 0.11 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.16 2k0f h GLU 100 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2k0f h GLU 100 CO -0.01 0.04 -1.67 1.25 -1.00 0.00 0.00 179.01 177.63 2k0f h LEU 101 N 0.00 0.30 -0.67 1.33 5.85 -1.33 -3.30 115.31 117.49 2k0f h LEU 101 Ca -0.00 -0.50 0.03 0.00 0.84 0.00 0.00 57.88 58.25 2k0f h LEU 101 Cb 0.47 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 2k0f h LEU 101 CO 0.01 1.43 0.41 -0.09 -0.34 0.00 0.00 178.44 179.86 2k0f h ARG 102 N 0.05 0.77 -0.47 1.25 2.43 -1.37 -3.22 114.38 113.82 2k0f h ARG 102 Ca -0.29 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.74 2k0f h ARG 102 Cb 2.01 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 31.37 2k0f h ARG 102 CO 0.13 0.51 -0.08 1.25 -1.51 0.00 0.00 179.97 180.27 2k0f h HIS 103 N 0.80 0.99 -0.54 2.20 2.76 -1.59 -2.55 115.15 117.22 2k0f h HIS 103 Ca 0.27 -0.20 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2k0f h HIS 103 Cb 0.05 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 28.73 2k0f h HIS 103 CO -0.05 0.96 0.30 0.28 -1.30 0.00 0.00 177.93 178.11 2k0f h VAL 104 N 0.73 1.16 -0.50 5.26 2.07 -1.66 -1.91 116.25 121.42 2k0f h VAL 104 Ca 0.12 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 2k0f h VAL 104 Cb 0.61 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2k0f h VAL 104 CO 0.04 0.18 0.07 0.24 0.02 0.00 0.00 177.57 178.12 2k0f h MET 105 N 0.74 0.83 0.00 1.57 2.07 -1.47 -0.88 114.93 117.79 2k0f h MET 105 Ca 0.19 -0.23 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 2k0f h MET 105 Cb 0.02 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 29.65 2k0f h MET 105 CO -0.03 0.83 0.00 1.15 1.07 0.00 0.00 176.91 179.93 2k0f h THR 106 N 0.70 0.00 0.00 2.22 2.02 -1.06 0.26 112.91 117.05 2k0f h THR 106 Ca 0.15 -0.30 -0.13 0.00 0.77 0.00 0.00 66.41 66.90 2k0f h THR 106 Cb 0.41 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 2k0f h THR 106 CO 0.01 0.00 -1.70 0.59 0.37 0.00 0.00 175.52 174.79 2k0f n ASN 107 N -2.69 0.44 -0.01 4.18 3.02 -0.88 -3.95 115.26 115.36 2k0f n ASN 107 Ca 0.01 0.19 -0.16 0.00 -0.03 0.00 0.00 54.58 54.58 2k0f n ASN 107 Cb 0.22 0.91 -0.10 0.00 -0.61 0.00 0.00 39.78 40.21 2k0f n ASN 107 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2k0f h LEU 108 N 0.00 0.55 0.00 3.41 3.38 -1.08 -3.42 115.31 118.15 2k0f h LEU 108 Ca -0.16 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.11 2k0f h LEU 108 Cb 1.43 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2k0f h LEU 108 CO 0.02 1.16 0.00 0.61 0.09 0.00 0.00 178.44 180.32 2k0f n GLY 109 N 0.87 1.96 3.71 0.83 0.00 -0.45 -4.89 105.19 107.22 2k0f n GLY 109 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.24 4.48 -0.65 1.61 0.41 0.80 -4.97 118.70 120.14 2k0f s GLU 110 Ca 0.00 1.07 0.03 0.00 -0.41 0.00 0.00 54.97 55.67 2k0f s GLU 110 Cb 0.00 -3.45 0.35 0.00 -1.78 0.00 0.00 34.13 29.25 2k0f s GLU 110 CO 0.00 0.02 1.21 1.63 -0.49 0.00 0.00 175.26 177.62 2k0f n LYS 111 N 3.85 3.66 -2.33 1.61 5.02 -1.26 -4.33 118.16 124.38 2k0f n LYS 111 Ca 0.01 -4.68 -0.27 0.00 -2.02 0.00 0.00 58.31 51.35 2k0f n LYS 111 Cb 0.51 -2.29 0.03 0.00 -0.02 0.00 0.00 35.03 33.27 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2k0f s LEU 112 N -3.68 3.18 0.69 -0.35 2.34 -1.26 -5.12 118.68 114.48 2k0f s LEU 112 Ca 0.47 0.76 0.01 0.00 0.06 0.00 0.00 54.13 55.43 2k0f s LEU 112 Cb 0.30 -3.58 0.12 0.00 -0.56 0.00 0.00 46.19 42.47 2k0f s LEU 112 CO -0.16 -1.11 0.95 0.42 -1.06 0.00 0.00 176.35 175.39 2k0f s THR 113 N -3.04 2.15 -0.19 5.48 -4.23 -1.26 -4.99 115.64 109.56 2k0f s THR 113 Ca 0.55 -0.67 0.21 0.00 -1.18 0.00 0.00 61.69 60.60 2k0f s THR 113 Cb -0.11 -2.48 0.23 0.00 1.34 0.00 0.00 72.50 71.49 2k0f s THR 113 CO 0.46 0.00 1.62 -0.78 -0.54 0.00 0.00 174.62 175.38 2k0f h ASP 114 N -0.39 0.00 1.42 3.99 3.58 -2.00 -1.27 116.42 121.75 2k0f h ASP 114 Ca -0.35 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.09 2k0f h ASP 114 Cb 1.27 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.32 2k0f h ASP 114 CO 0.40 0.22 -0.06 1.05 -2.88 0.00 0.00 179.24 177.97 2k0f h GLU 115 N 0.00 0.00 -0.39 0.28 4.11 -1.99 -2.59 114.58 114.00 2k0f h GLU 115 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 2k0f h GLU 115 Cb 1.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2k0f h GLU 115 CO 0.03 0.06 -0.26 0.93 0.07 0.00 0.00 179.01 179.84 2k0f h GLU 116 N 0.00 0.81 0.18 1.06 5.08 -1.62 -1.34 114.58 118.76 2k0f h GLU 116 Ca -0.00 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 2k0f h GLU 116 Cb 0.78 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2k0f h GLU 116 CO 0.01 0.98 -0.09 0.28 -1.00 0.00 0.00 179.01 179.19 2k0f h VAL 117 N 0.70 0.81 -0.66 3.13 2.07 -1.22 -0.45 116.25 120.63 2k0f h VAL 117 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2k0f h VAL 117 Cb 0.80 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2k0f h VAL 117 CO 0.07 0.00 0.43 -0.78 0.02 0.00 0.00 177.57 177.31 2k0f h ASP 118 N -0.25 0.77 0.02 0.57 3.58 -1.50 0.37 116.42 119.98 2k0f h ASP 118 Ca -0.02 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 2k0f h ASP 118 Cb 0.19 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2k0f h ASP 118 CO 0.04 0.56 -0.01 -0.08 -2.88 0.00 0.00 179.24 176.87 2k0f h GLU 119 N 0.90 -0.03 -0.54 0.28 4.81 -0.50 -1.84 114.58 117.66 2k0f h GLU 119 Ca 0.24 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.51 2k0f h GLU 119 Cb -0.09 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 2k0f h GLU 119 CO -0.05 0.33 0.30 0.52 -0.73 0.00 0.00 179.01 179.38 2k0f h MET 120 N -0.39 0.57 -0.77 1.92 2.86 -1.05 0.89 114.93 118.95 2k0f h MET 120 Ca -0.00 -0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.71 2k0f h MET 120 Cb 0.37 -0.13 -0.08 0.00 0.06 0.00 0.00 31.60 31.83 2k0f h MET 120 CO 0.01 0.38 0.40 0.82 1.06 0.00 0.00 176.91 179.57 2k0f h ILE 121 N 0.58 0.84 -0.22 -1.22 1.08 -0.89 0.15 117.51 117.83 2k0f h ILE 121 Ca 0.23 -0.23 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 2k0f h ILE 121 Cb 0.09 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 33.95 2k0f h ILE 121 CO -0.13 0.12 0.05 -0.09 -0.69 0.00 0.00 178.15 177.41 2k0f h ARG 122 N 0.66 0.36 -0.38 2.37 2.43 -0.99 0.12 114.38 118.94 2k0f h ARG 122 Ca 0.39 -0.09 0.08 0.00 -0.81 0.00 0.00 59.98 59.54 2k0f h ARG 122 Cb 0.43 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.85 2k0f h ARG 122 CO -0.28 0.49 -0.11 1.49 -1.51 0.00 0.00 179.97 180.04 2k0f h GLU 123 N 0.18 -0.02 0.01 0.20 4.81 -0.79 -3.22 114.58 115.75 2k0f h GLU 123 Ca 0.07 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 123 Cb 0.29 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.68 2k0f h GLU 123 CO 0.00 -0.01 -0.38 0.00 -0.73 0.00 0.00 179.01 177.89 2k0f h ALA 124 N 1.35 0.04 -2.39 2.92 0.00 -0.53 -3.45 119.26 117.20 2k0f h ALA 124 Ca 0.19 -0.51 -0.53 0.00 0.00 0.00 0.00 54.91 54.05 2k0f h ALA 124 Cb 0.30 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.13 2k0f h ALA 124 CO -0.41 0.18 1.11 0.34 0.00 0.00 0.00 179.25 180.47 2k0f s ASP 125 N -6.48 6.54 -0.10 0.00 2.15 0.39 -4.78 116.67 114.40 2k0f s ASP 125 Ca -0.15 2.53 -0.01 0.00 0.43 0.00 0.00 52.55 55.35 2k0f s ASP 125 Cb 0.02 -2.55 -0.25 0.00 -0.30 0.00 0.00 42.92 39.83 2k0f s ASP 125 CO 0.77 -0.96 0.46 -0.38 -0.17 0.00 0.00 175.17 174.88 2k0f n ILE 126 N 5.14 1.74 0.01 4.11 5.41 -1.26 -4.68 119.36 129.83 2k0f n ILE 126 Ca 0.18 -0.70 -0.01 0.00 1.00 0.00 0.00 62.75 63.22 2k0f n ILE 126 Cb 0.41 -1.53 -0.00 0.00 -0.71 0.00 0.00 39.64 37.80 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N 0.05 -0.05 0.00 4.38 3.04 -1.94 -3.49 116.42 118.41 2k0f h ASP 127 Ca -0.38 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.41 2k0f h ASP 127 Cb 2.03 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 40.33 2k0f h ASP 127 CO 0.09 0.06 0.00 0.61 -2.04 0.00 0.00 179.24 177.96 2k0f n GLY 128 N 1.41 0.22 0.13 7.15 0.00 -1.26 -5.04 105.19 107.80 2k0f n GLY 128 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.95 -3.47 116.42 114.64 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 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 129 CO 0.00 0.64 0.00 0.61 -1.03 0.00 0.00 179.24 179.46 2k0f n GLY 130 N 0.58 1.01 3.24 7.15 0.00 -1.26 -5.10 105.19 110.80 2k0f n GLY 130 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.54 1.13 -0.30 1.61 -0.21 -1.26 -4.69 119.66 115.40 2k0f s GLN 131 Ca 0.00 -1.00 -0.15 0.00 0.02 0.00 0.00 55.36 54.23 2k0f s GLN 131 Cb 0.00 -1.28 -0.03 0.00 1.00 0.00 0.00 33.01 32.70 2k0f s GLN 131 CO 0.00 0.31 0.35 0.08 -2.12 0.00 0.00 175.29 173.91 2k0f s VAL 132 N -1.01 5.18 0.72 1.09 1.01 0.18 -4.79 120.40 122.78 2k0f s VAL 132 Ca 0.05 0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.21 2k0f s VAL 132 Cb -0.09 -3.74 0.16 0.00 0.00 0.00 0.00 36.38 32.71 2k0f s VAL 132 CO 0.03 0.05 0.98 -0.46 0.00 0.00 0.00 175.10 175.70 2k0f n ASN 133 N 5.33 0.22 -0.00 3.32 0.23 -1.26 -0.32 115.26 122.77 2k0f n ASN 133 Ca -0.09 -1.44 -0.11 0.00 -0.53 0.00 0.00 54.58 52.40 2k0f n ASN 133 Cb 0.50 -0.74 -0.05 0.00 -2.08 0.00 0.00 39.78 37.42 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 -1.44 -1.02 -0.15 -2.53 3.20 -1.98 -2.57 116.97 110.49 2k0f h TYR 134 Ca -0.32 0.04 -0.17 0.00 3.14 0.00 0.00 58.73 61.42 2k0f h TYR 134 Cb 0.91 0.47 -0.00 0.00 1.54 0.00 0.00 36.73 39.64 2k0f h TYR 134 CO 0.00 -0.43 -0.63 1.49 -1.64 0.00 0.00 178.16 176.95 2k0f h GLU 135 N -0.43 0.54 -0.20 1.82 4.81 -1.95 -0.40 114.58 118.76 2k0f h GLU 135 Ca 0.09 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 2k0f h GLU 135 Cb 0.58 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2k0f h GLU 135 CO -0.38 0.99 0.07 0.93 -0.73 0.00 0.00 179.01 179.90 2k0f h GLU 136 N 0.40 0.27 -0.35 1.92 5.08 -1.90 0.19 114.58 120.19 2k0f h GLU 136 Ca -0.01 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 2k0f h GLU 136 Cb 1.19 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2k0f h GLU 136 CO 0.12 0.24 -0.20 0.35 -1.00 0.00 0.00 179.01 178.51 2k0f h PHE 137 N 0.28 0.88 0.00 4.33 3.57 -1.06 -3.34 116.94 121.60 2k0f h PHE 137 Ca 0.07 -0.23 -0.17 0.00 3.53 0.00 0.00 57.97 61.17 2k0f h PHE 137 Cb 0.07 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 2k0f h PHE 137 CO 0.00 0.97 -0.82 0.28 -2.23 0.00 0.00 178.31 176.51 2k0f h VAL 138 N 0.54 1.58 -0.50 1.41 2.07 0.13 -3.31 116.25 118.17 2k0f h VAL 138 Ca 0.07 -2.78 0.10 0.00 0.82 0.00 0.00 66.70 64.92 2k0f h VAL 138 Cb 0.75 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 33.00 2k0f h VAL 138 CO 0.06 0.79 0.34 -0.61 0.02 0.00 0.00 177.57 178.18 2k0f h GLN 139 N 0.01 0.22 -0.02 1.57 5.75 -0.80 0.07 115.11 121.90 2k0f h GLN 139 Ca -0.01 -0.01 -0.15 0.00 -0.15 0.00 0.00 58.65 58.33 2k0f h GLN 139 Cb 1.44 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.93 2k0f h GLN 139 CO 0.11 0.15 -0.66 0.52 -2.65 0.00 0.00 178.83 176.29 2k0f h MET 140 N 0.23 0.10 0.20 1.69 2.86 -1.72 -3.31 114.93 114.97 2k0f h MET 140 Ca 0.23 -0.08 -0.35 0.00 -2.06 0.00 0.00 59.70 57.45 2k0f h MET 140 Cb 0.62 0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.31 2k0f h MET 140 CO -0.04 0.73 -1.71 0.52 1.06 0.00 0.00 176.91 177.47 2k0f h MET 141 N 0.07 0.42 0.00 1.72 2.86 -1.17 -3.53 114.93 115.29 2k0f h MET 141 Ca -0.01 -0.72 0.00 0.00 -2.06 0.00 0.00 59.70 56.91 2k0f h MET 141 Cb 1.18 0.27 0.00 0.00 0.06 0.00 0.00 31.60 33.11 2k0f h MET 141 CO 0.09 1.34 0.00 0.25 1.06 0.00 0.00 176.91 179.66