#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 0.95 -0.93 -0.78 3.07 -2.05 -2.07 114.58 112.77 2k0f h GLU 2 Ca 0.00 -0.26 0.27 0.00 -0.50 0.00 0.00 59.36 58.87 2k0f h GLU 2 Cb 0.00 -0.11 -0.15 0.00 -0.84 0.00 0.00 28.75 27.66 2k0f h GLU 2 CO 0.00 0.91 0.34 1.49 -1.40 0.00 0.00 179.01 180.36 2k0f h GLU 3 N 0.84 0.23 0.00 2.33 4.57 -2.05 0.43 114.58 120.93 2k0f h GLU 3 Ca 0.17 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.21 2k0f h GLU 3 Cb 0.43 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 2k0f h GLU 3 CO 0.01 0.15 -0.59 1.96 -1.18 0.00 0.00 179.01 179.36 2k0f h GLN 4 N 0.24 0.00 0.01 1.92 4.20 -1.80 -2.38 115.11 117.30 2k0f h GLN 4 Ca 0.62 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.33 2k0f h GLN 4 Cb 1.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.11 2k0f h GLN 4 CO -0.65 0.59 -0.01 0.82 -0.67 0.00 0.00 178.83 178.91 2k0f h ILE 5 N 0.00 1.52 -1.00 2.54 1.08 -1.16 0.68 117.51 121.17 2k0f h ILE 5 Ca -0.01 -1.92 0.23 0.00 -0.39 0.00 0.00 64.86 62.77 2k0f h ILE 5 Cb 1.32 2.76 -0.10 0.00 -3.07 0.00 0.00 36.82 37.73 2k0f h ILE 5 CO 0.08 0.47 0.63 0.00 -0.69 0.00 0.00 178.15 178.64 2k0f h ALA 6 N 0.01 2.00 0.02 1.87 0.00 -0.95 0.27 119.26 122.48 2k0f h ALA 6 Ca -0.00 0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 2k0f h ALA 6 Cb 0.79 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2k0f h ALA 6 CO 0.00 -0.38 -1.36 1.49 0.00 0.00 0.00 179.25 179.00 2k0f h GLU 7 N 0.54 0.05 -0.41 0.00 4.81 -1.22 -2.55 114.58 115.79 2k0f h GLU 7 Ca 0.57 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.58 2k0f h GLU 7 Cb 1.21 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2k0f h GLU 7 CO -0.32 0.83 -0.30 0.35 -0.73 0.00 0.00 179.01 178.84 2k0f h PHE 8 N 0.01 1.06 -0.30 0.92 3.57 -0.41 -0.57 116.94 121.21 2k0f h PHE 8 Ca -0.16 -0.28 -0.10 0.00 3.53 0.00 0.00 57.97 60.96 2k0f h PHE 8 Cb 1.91 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 40.40 2k0f h PHE 8 CO 0.01 1.08 -0.24 -0.22 -2.23 0.00 0.00 178.31 176.72 2k0f h LYS 9 N 0.76 0.59 -0.22 1.11 3.64 -1.04 -1.47 116.57 119.94 2k0f h LYS 9 Ca 0.08 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 2k0f h LYS 9 Cb 0.87 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 2k0f h LYS 9 CO 0.08 0.78 0.02 1.49 -2.27 0.00 0.00 179.45 179.55 2k0f h GLU 10 N 0.52 0.38 -0.74 1.90 4.81 -1.16 -2.11 114.58 118.17 2k0f h GLU 10 Ca 0.07 -0.11 0.17 0.00 -0.13 0.00 0.00 59.36 59.36 2k0f h GLU 10 Cb 0.69 -0.04 -0.12 0.00 0.63 0.00 0.00 28.75 29.91 2k0f h GLU 10 CO 0.05 0.54 0.11 0.00 -0.73 0.00 0.00 179.01 178.98 2k0f h ALA 11 N 0.83 0.89 0.20 2.92 0.00 -0.94 -2.43 119.26 120.72 2k0f h ALA 11 Ca 0.07 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2k0f h ALA 11 Cb 0.35 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2k0f h ALA 11 CO 0.01 -0.39 -0.09 0.35 0.00 0.00 0.00 179.25 179.13 2k0f h PHE 12 N 0.19 -0.24 -0.43 0.00 3.57 -1.22 -3.27 116.94 115.55 2k0f h PHE 12 Ca 0.42 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 62.04 2k0f h PHE 12 Cb 0.73 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2k0f h PHE 12 CO -0.32 -0.07 0.34 1.03 -2.23 0.00 0.00 178.31 177.06 2k0f h SER 13 N -0.37 0.00 -1.23 0.41 0.87 -0.99 -1.69 113.55 110.55 2k0f h SER 13 Ca -0.03 0.00 0.36 0.00 -1.23 0.00 0.00 61.79 60.89 2k0f h SER 13 Cb 0.29 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.16 2k0f h SER 13 CO 0.04 0.00 0.83 -0.07 -0.53 0.00 0.00 176.83 177.10 2k0f h LEU 14 N 0.00 0.24 0.14 2.23 3.38 -1.49 -1.78 115.31 118.03 2k0f h LEU 14 Ca 0.20 0.07 -0.28 0.00 0.09 0.00 0.00 57.88 57.96 2k0f h LEU 14 Cb 0.88 0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.68 2k0f h LEU 14 CO -0.00 -0.02 -1.27 -0.26 0.09 0.00 0.00 178.44 176.97 2k0f h PHE 15 N 0.17 0.60 -2.54 1.13 0.04 -1.50 -3.42 116.94 111.44 2k0f h PHE 15 Ca 0.68 -0.43 -0.58 0.00 2.80 0.00 0.00 57.97 60.44 2k0f h PHE 15 Cb 2.18 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 40.29 2k0f h PHE 15 CO -0.00 1.33 1.29 0.34 -0.60 0.00 0.00 178.31 180.67 2k0f s ASP 16 N -7.24 5.92 0.25 2.17 -1.08 -0.67 -4.73 116.67 111.29 2k0f s ASP 16 Ca -0.05 1.55 0.12 0.00 -0.52 0.00 0.00 52.55 53.65 2k0f s ASP 16 Cb 0.07 -2.52 0.21 0.00 -1.46 0.00 0.00 42.92 39.21 2k0f s ASP 16 CO 0.90 -1.65 1.51 0.11 0.52 0.00 0.00 175.17 176.56 2k0f h LYS 17 N 12.82 0.00 0.00 4.34 1.79 -1.89 -3.32 116.57 130.32 2k0f h LYS 17 Ca -0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 2k0f h LYS 17 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2k0f h LYS 17 CO 1.01 0.65 -0.10 -0.44 -1.08 0.00 0.00 179.45 179.48 2k0f h ASP 18 N 0.00 0.00 0.00 0.86 3.32 -1.96 -3.50 116.42 115.15 2k0f h ASP 18 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2k0f h ASP 18 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2k0f h ASP 18 CO 0.08 0.36 0.00 0.61 -1.72 0.00 0.00 179.24 178.57 2k0f n GLY 19 N 1.80 0.71 0.00 2.75 0.00 -1.25 -5.07 105.19 104.13 2k0f n GLY 19 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 0.00 0.00 0.00 1.61 5.75 -1.26 -5.08 116.55 117.57 2k0f n ASP 20 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2k0f n ASP 20 Cb 0.00 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 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 2.23 0.53 3.56 6.12 0.00 -1.26 -5.09 105.19 111.29 2k0f n GLY 21 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2k0f n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0f s THR 22 N 0.00 3.72 -0.42 2.61 2.01 -1.26 -4.82 115.64 117.47 2k0f s THR 22 Ca 0.00 -0.75 -0.26 0.00 0.31 0.00 0.00 61.69 60.99 2k0f s THR 22 Cb 0.00 -4.61 0.02 0.00 0.01 0.00 0.00 72.50 67.92 2k0f s THR 22 CO 0.00 -1.46 0.96 -0.63 -0.69 0.00 0.00 174.62 172.80 2k0f s ILE 23 N 7.54 4.48 0.52 1.82 1.01 -1.26 -4.98 121.20 130.34 2k0f s ILE 23 Ca 0.59 1.03 0.01 0.00 0.00 0.00 0.00 60.65 62.27 2k0f s ILE 23 Cb -0.02 -4.42 0.02 0.00 0.01 0.00 0.00 42.46 38.05 2k0f s ILE 23 CO -0.02 -0.73 0.75 0.42 0.00 0.00 0.00 174.94 175.36 2k0f s THR 24 N 3.75 3.14 0.55 2.92 -4.23 -1.26 -2.97 115.64 117.54 2k0f s THR 24 Ca 0.39 -0.58 0.24 0.00 -1.18 0.00 0.00 61.69 60.56 2k0f s THR 24 Cb -0.10 -3.18 0.33 0.00 1.34 0.00 0.00 72.50 70.89 2k0f s THR 24 CO 0.24 -0.13 2.15 0.71 -0.54 0.00 0.00 174.62 177.05 2k0f h THR 25 N 0.16 0.72 0.64 3.99 1.35 -1.96 -2.31 112.91 115.50 2k0f h THR 25 Ca -0.44 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.39 2k0f h THR 25 Cb 1.28 0.93 0.01 0.00 -1.73 0.00 0.00 68.15 68.63 2k0f h THR 25 CO 0.54 0.00 -0.31 0.50 -0.25 0.00 0.00 175.52 176.01 2k0f h LYS 26 N 0.00 -0.82 -0.34 4.72 3.64 -1.96 0.44 116.57 122.25 2k0f h LYS 26 Ca 0.05 0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.56 2k0f h LYS 26 Cb 0.25 0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.17 2k0f h LYS 26 CO -0.00 -0.55 -0.31 0.93 -2.27 0.00 0.00 179.45 177.25 2k0f h GLU 27 N -0.96 -0.26 -0.34 1.90 5.08 -1.90 -0.97 114.58 117.12 2k0f h GLU 27 Ca -0.09 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 27 Cb 0.66 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.88 2k0f h GLU 27 CO 0.14 -0.17 -0.28 1.25 -1.00 0.00 0.00 179.01 178.95 2k0f h LEU 28 N -0.27 -0.92 -0.28 1.33 5.85 -1.48 -2.74 115.31 116.80 2k0f h LEU 28 Ca 0.16 0.17 0.06 0.00 0.84 0.00 0.00 57.88 59.11 2k0f h LEU 28 Cb 0.52 0.44 -0.08 0.00 0.37 0.00 0.00 40.66 41.92 2k0f h LEU 28 CO -0.49 -0.30 -0.32 1.23 -0.34 0.00 0.00 178.44 178.23 2k0f h GLY 29 N -0.24 -0.32 0.56 3.75 0.00 0.13 -2.57 103.07 104.38 2k0f h GLY 29 Ca 0.16 0.40 0.08 0.00 0.00 0.00 0.00 47.33 47.97 2k0f h GLY 29 CO -0.48 -0.21 0.38 -0.84 0.00 0.00 0.00 176.54 175.39 2k0f h THR 30 N -0.31 0.90 0.45 4.70 2.02 -0.94 0.13 112.91 119.86 2k0f h THR 30 Ca 0.14 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 2k0f h THR 30 Cb 0.53 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 2k0f h THR 30 CO -0.45 0.12 -0.31 0.58 0.37 0.00 0.00 175.52 175.83 2k0f h VAL 31 N 0.67 0.36 -0.42 3.16 2.07 -1.18 -1.09 116.25 119.80 2k0f h VAL 31 Ca 0.34 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.87 2k0f h VAL 31 Cb 0.30 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2k0f h VAL 31 CO -0.23 0.00 0.27 0.24 0.02 0.00 0.00 177.57 177.86 2k0f h MET 32 N -0.74 0.53 -0.57 1.57 2.86 -1.11 -2.29 114.93 115.18 2k0f h MET 32 Ca -0.05 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 2k0f h MET 32 Cb 0.62 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 2k0f h MET 32 CO 0.02 0.35 0.19 -0.09 1.06 0.00 0.00 176.91 178.44 2k0f h ARG 33 N 0.54 0.85 -0.26 1.72 2.43 -0.80 0.42 114.38 119.28 2k0f h ARG 33 Ca 0.16 -0.15 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 2k0f h ARG 33 Cb -0.03 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 2k0f h ARG 33 CO -0.05 0.72 -0.17 0.77 -1.51 0.00 0.00 179.97 179.73 2k0f h SER 34 N 0.83 0.45 0.01 -3.80 0.02 -0.65 -3.06 113.55 107.35 2k0f h SER 34 Ca 0.19 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2k0f h SER 34 Cb 0.22 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2k0f h SER 34 CO -0.01 0.64 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.25 2k0f h LEU 35 N 0.42 -0.01 0.00 5.07 3.38 -1.37 -3.49 115.31 119.31 2k0f h LEU 35 Ca 0.07 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2k0f h LEU 35 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2k0f h LEU 35 CO 0.04 0.76 0.00 0.61 0.09 0.00 0.00 178.44 179.93 2k0f n GLY 36 N 1.02 -2.31 3.62 0.83 0.00 0.13 -5.10 105.19 103.37 2k0f n GLY 36 Ca -0.09 0.75 -0.41 0.00 0.00 0.00 0.00 46.02 46.27 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 4.04 -0.20 1.61 -1.52 -1.23 -4.67 119.66 117.70 2k0f s GLN 37 Ca 0.00 0.50 0.00 0.00 -1.95 0.00 0.00 55.36 53.92 2k0f s GLN 37 Cb 0.00 -3.68 0.02 0.00 -0.22 0.00 0.00 33.01 29.13 2k0f s GLN 37 CO 0.00 -0.49 -0.16 1.21 -0.25 0.00 0.00 175.29 175.61 2k0f s ASN 38 N 1.52 3.49 0.79 5.90 2.47 -1.26 -4.37 114.94 123.49 2k0f s ASN 38 Ca 0.27 -0.67 0.00 0.00 0.42 0.00 0.00 52.86 52.88 2k0f s ASN 38 Cb -0.15 -1.54 0.00 0.00 -1.45 0.00 0.00 41.25 38.11 2k0f s ASN 38 CO 0.10 -0.02 0.00 -2.65 -3.72 0.00 0.00 177.10 170.80 2k0f n PRO 39 N 4.64 -1.27 -1.99 0.43 -0.02 -1.26 -4.96 135.00 130.58 2k0f n PRO 39 Ca -0.20 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.00 2k0f n PRO 39 Cb 0.49 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 34.05 2k0f n PRO 39 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2k0f s THR 40 N -0.79 2.49 0.10 3.45 -4.23 -1.26 -5.01 115.64 110.38 2k0f s THR 40 Ca 0.00 0.05 -0.07 0.00 -1.18 0.00 0.00 61.69 60.49 2k0f s THR 40 Cb 0.00 -3.13 -0.24 0.00 1.34 0.00 0.00 72.50 70.47 2k0f s THR 40 CO 0.00 -0.17 1.21 -0.33 -0.54 0.00 0.00 174.62 174.79 2k0f h GLU 41 N -0.82 0.42 -0.40 3.99 5.08 -1.98 -2.74 114.58 118.13 2k0f h GLU 41 Ca -0.45 -0.54 0.04 0.00 -1.00 0.00 0.00 59.36 57.41 2k0f h GLU 41 Cb 1.31 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 2k0f h GLU 41 CO 0.64 1.20 0.27 0.00 -1.00 0.00 0.00 179.01 180.12 2k0f h ALA 42 N 0.59 1.90 -0.31 3.43 0.00 -1.99 0.48 119.26 123.37 2k0f h ALA 42 Ca -0.12 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 2k0f h ALA 42 Cb 1.77 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 2k0f h ALA 42 CO 0.19 0.04 -0.39 0.93 0.00 0.00 0.00 179.25 180.03 2k0f h GLU 43 N 0.38 0.73 0.02 0.00 5.08 -1.96 -3.30 114.58 115.53 2k0f h GLU 43 Ca 0.17 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2k0f h GLU 43 Cb 0.20 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2k0f h GLU 43 CO -0.04 0.99 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.88 2k0f h LEU 44 N 0.60 -0.02 -1.91 1.33 3.38 -1.04 -3.37 115.31 114.28 2k0f h LEU 44 Ca 0.05 -0.67 -0.03 0.00 0.09 0.00 0.00 57.88 57.33 2k0f h LEU 44 Cb 0.93 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2k0f h LEU 44 CO 0.08 0.68 -0.12 -0.61 0.09 0.00 0.00 178.44 178.56 2k0f h GLN 45 N -0.73 0.00 0.00 1.13 4.15 -0.18 0.71 115.11 120.19 2k0f h GLN 45 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 2k0f h GLN 45 Cb 0.69 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 2k0f h GLN 45 CO 0.00 0.12 -0.21 0.22 -1.93 0.00 0.00 178.83 177.04 2k0f h ASP 46 N 0.00 0.00 0.98 -0.69 3.58 -1.73 0.12 116.42 118.68 2k0f h ASP 46 Ca -0.00 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.31 2k0f h ASP 46 Cb 0.29 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 2k0f h ASP 46 CO 0.02 0.21 -1.08 0.24 -2.88 0.00 0.00 179.24 175.74 2k0f h MET 47 N 0.00 0.00 0.10 0.28 2.86 -1.02 -3.02 114.93 114.13 2k0f h MET 47 Ca -0.00 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 2k0f h MET 47 Cb 0.39 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.07 2k0f h MET 47 CO 0.03 0.33 -0.66 0.82 1.06 0.00 0.00 176.91 178.50 2k0f h ILE 48 N 0.00 1.55 -0.96 -1.22 2.04 -1.16 -3.32 117.51 114.44 2k0f h ILE 48 Ca -0.10 -2.46 0.11 0.00 1.00 0.00 0.00 64.86 63.41 2k0f h ILE 48 Cb 1.47 3.18 -0.07 0.00 -0.74 0.00 0.00 36.82 40.66 2k0f h ILE 48 CO 0.05 0.69 0.61 -1.13 0.00 0.00 0.00 178.15 178.37 2k0f h ASN 49 N -0.45 0.89 -0.48 1.72 -1.24 -0.88 -2.09 115.58 113.04 2k0f h ASN 49 Ca -0.11 0.03 0.10 0.00 0.71 0.00 0.00 56.30 57.03 2k0f h ASN 49 Cb 1.50 -0.15 -0.10 0.00 0.73 0.00 0.00 38.32 40.30 2k0f h ASN 49 CO 0.12 0.50 -0.20 -0.08 -1.29 0.00 0.00 177.43 176.48 2k0f h GLU 50 N 0.97 -0.09 0.00 6.67 4.81 -1.63 -3.22 114.58 122.09 2k0f h GLU 50 Ca 0.46 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 2k0f h GLU 50 Cb 0.43 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2k0f h GLU 50 CO -0.22 -0.06 -1.02 1.33 -0.73 0.00 0.00 179.01 178.31 2k0f n VAL 51 N -5.40 0.40 -1.85 0.32 0.24 -0.81 -4.90 118.33 106.35 2k0f n VAL 51 Ca 0.04 -0.41 -0.43 0.00 -2.04 0.00 0.00 64.34 61.50 2k0f n VAL 51 Cb 0.30 -0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 32.52 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -4.70 5.84 -0.16 -1.34 2.15 -1.08 -4.86 116.67 112.52 2k0f s ASP 52 Ca 0.01 1.67 -0.18 0.00 0.43 0.00 0.00 52.55 54.48 2k0f s ASP 52 Cb 0.12 -2.52 -0.15 0.00 -0.30 0.00 0.00 42.92 40.06 2k0f s ASP 52 CO 0.79 -1.69 0.28 0.00 -0.17 0.00 0.00 175.17 174.38 2k0f h ALA 53 N 13.22 0.10 0.00 3.66 0.00 -1.91 -3.39 119.26 130.93 2k0f h ALA 53 Ca -0.38 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 53.86 2k0f h ALA 53 Cb 1.20 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2k0f h ALA 53 CO 0.99 0.34 -0.00 0.38 0.00 0.00 0.00 179.25 180.96 2k0f h ASP 54 N -1.00 -0.00 0.00 0.00 3.04 -1.97 -3.47 116.42 113.01 2k0f h ASP 54 Ca -0.12 -0.15 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 2k0f h ASP 54 Cb 0.86 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.15 2k0f h ASP 54 CO -0.08 0.15 0.00 0.61 -2.04 0.00 0.00 179.24 177.88 2k0f n GLY 55 N -0.69 1.59 0.09 7.15 0.00 -1.26 -5.03 105.19 107.04 2k0f n GLY 55 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 2k0f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 56 N 0.00 0.00 0.00 1.61 7.08 -1.92 -3.48 115.58 118.87 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 56 CO 0.00 0.69 0.00 0.61 -2.08 0.00 0.00 177.43 176.65 2k0f n GLY 57 N 1.42 0.71 3.49 9.14 0.00 -1.26 -5.06 105.19 113.63 2k0f n GLY 57 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.81 3.08 -0.27 2.61 -4.23 -1.26 -4.66 115.64 108.10 2k0f s THR 58 Ca 0.00 -0.84 -0.29 0.00 -1.18 0.00 0.00 61.69 59.38 2k0f s THR 58 Cb 0.00 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.59 2k0f s THR 58 CO 0.00 0.50 1.24 -0.51 -0.54 0.00 0.00 174.62 175.32 2k0f s ILE 59 N -0.82 4.25 0.58 2.99 2.07 -1.16 -4.94 121.20 124.18 2k0f s ILE 59 Ca 0.13 1.45 0.09 0.00 -1.41 0.00 0.00 60.65 60.91 2k0f s ILE 59 Cb -0.11 -4.17 0.08 0.00 0.13 0.00 0.00 42.46 38.40 2k0f s ILE 59 CO 0.03 -0.39 0.72 -1.81 -1.91 0.00 0.00 174.94 171.58 2k0f s ASP 60 N 2.36 4.94 0.03 4.50 1.01 -1.26 -4.04 116.67 124.20 2k0f s ASP 60 Ca 0.54 -0.99 -0.26 0.00 0.71 0.00 0.00 52.55 52.54 2k0f s ASP 60 Cb -0.17 0.43 -0.17 0.00 1.01 0.00 0.00 42.92 44.02 2k0f s ASP 60 CO 0.19 -1.35 1.34 0.15 0.21 0.00 0.00 175.17 175.72 2k0f h PHE 61 N 0.27 -0.42 0.00 4.23 3.57 -1.95 0.24 116.94 122.88 2k0f h PHE 61 Ca -0.30 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.19 2k0f h PHE 61 Cb 1.29 0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.17 2k0f h PHE 61 CO 0.58 -0.12 0.00 -0.35 -2.23 0.00 0.00 178.31 176.19 2k0f n PRO 62 N -5.18 0.54 -0.06 6.41 -0.04 -1.26 -0.89 135.00 134.51 2k0f n PRO 62 Ca -0.10 0.04 -0.05 0.00 -0.04 0.00 0.00 63.50 63.35 2k0f n PRO 62 Cb 0.26 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.00 -0.08 0.54 5.08 -1.84 -3.32 114.58 114.96 2k0f h GLU 63 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2k0f h GLU 63 Cb 0.09 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 2k0f h GLU 63 CO 0.00 0.23 -0.36 0.35 -1.00 0.00 0.00 179.01 178.23 2k0f h PHE 64 N -1.00 -1.01 -0.33 4.33 3.57 -0.07 -1.83 116.94 120.60 2k0f h PHE 64 Ca -0.03 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.58 2k0f h PHE 64 Cb 0.38 0.46 -0.08 0.00 2.79 0.00 0.00 35.95 39.50 2k0f h PHE 64 CO -0.01 -0.44 -0.21 1.25 -2.23 0.00 0.00 178.31 176.67 2k0f h LEU 65 N -0.47 -0.70 0.00 0.59 5.85 -1.22 -1.97 115.31 117.38 2k0f h LEU 65 Ca 0.08 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2k0f h LEU 65 Cb 0.59 0.36 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2k0f h LEU 65 CO -0.34 -0.25 -0.38 0.35 -0.34 0.00 0.00 178.44 177.48 2k0f n THR 66 N -5.37 0.34 -0.03 1.05 -2.24 -1.11 -1.53 114.28 105.38 2k0f n THR 66 Ca 0.01 -0.21 -0.14 0.00 -2.27 0.00 0.00 64.05 61.44 2k0f n THR 66 Cb 0.28 -0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 68.17 2k0f n THR 66 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 2k0f h MET 67 N 0.00 0.12 0.00 -0.78 1.85 -1.03 -3.21 114.93 111.88 2k0f h MET 67 Ca 0.00 -0.10 -0.10 0.00 -0.61 0.00 0.00 59.70 58.90 2k0f h MET 67 Cb 0.69 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.72 2k0f h MET 67 CO 0.00 0.77 -0.46 0.52 -0.40 0.00 0.00 176.91 177.33 2k0f h MET 68 N -0.50 0.00 -0.00 0.39 2.07 -1.34 -2.98 114.93 112.57 2k0f h MET 68 Ca -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 2k0f h MET 68 Cb 0.79 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.52 2k0f h MET 68 CO 0.02 0.46 0.00 0.00 1.07 0.00 0.00 176.91 178.47 2k0f n ALA 69 N -2.41 2.68 -2.36 6.32 0.00 -0.58 -4.77 120.51 119.39 2k0f n ALA 69 Ca -0.01 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 2k0f n ALA 69 Cb 0.50 -1.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.00 4.37 -0.10 0.00 3.52 -1.13 -5.02 118.95 118.58 2k0f s ARG 70 Ca 0.47 1.81 -0.02 0.00 -0.13 0.00 0.00 55.73 57.87 2k0f s ARG 70 Cb 0.22 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 30.13 2k0f s ARG 70 CO 0.37 -0.40 -0.02 0.15 -0.81 0.00 0.00 175.30 174.59 2k0f s LYS 71 N 1.68 3.14 0.03 5.12 1.02 -1.26 -5.06 119.74 124.41 2k0f s LYS 71 Ca 0.60 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.13 2k0f s LYS 71 Cb -0.29 -2.80 0.01 0.00 -0.52 0.00 0.00 37.83 34.22 2k0f s LYS 71 CO 0.27 0.57 0.04 -1.33 -0.92 0.00 0.00 175.35 173.98 2k0f n MET 72 N 2.53 0.76 -1.86 1.68 2.81 -1.26 -5.10 117.12 116.68 2k0f n MET 72 Ca -0.18 -0.12 -0.41 0.00 -1.81 0.00 0.00 57.70 55.18 2k0f n MET 72 Cb 0.53 -0.02 -0.01 0.00 -0.71 0.00 0.00 33.22 33.02 2k0f n MET 72 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2k0f s LYS 73 N -2.33 4.15 0.64 0.03 2.20 -1.26 -4.84 119.74 118.34 2k0f s LYS 73 Ca 0.03 2.51 0.43 0.00 -0.36 0.00 0.00 55.97 58.57 2k0f s LYS 73 Cb -0.00 -2.99 2.26 0.00 -1.51 0.00 0.00 37.83 35.59 2k0f s LYS 73 CO 0.02 -0.47 2.31 0.38 -0.36 0.00 0.00 175.35 177.22 2k0f h ASP 74 N 3.12 0.00 0.29 1.43 2.03 -1.99 -1.21 116.42 120.10 2k0f h ASP 74 Ca -0.50 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.78 2k0f h ASP 74 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 2k0f h ASP 74 CO 0.65 0.00 -0.14 0.71 -1.03 0.00 0.00 179.24 179.43 2k0f h THR 75 N 0.00 0.00 0.00 1.15 1.35 -2.01 -3.31 112.91 110.09 2k0f h THR 75 Ca 0.00 -0.23 -0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2k0f h THR 75 Cb 0.07 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.49 2k0f h THR 75 CO 0.00 0.00 -0.02 0.44 -0.25 0.00 0.00 175.52 175.69 2k0f h ASP 76 N -0.63 0.00 0.81 5.36 3.32 -1.73 -2.55 116.42 121.00 2k0f h ASP 76 Ca -0.04 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 2k0f h ASP 76 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2k0f h ASP 76 CO 0.07 0.02 -0.22 0.28 -1.72 0.00 0.00 179.24 177.66 2k0f h SER 77 N 0.00 0.00 0.11 6.45 0.02 -1.36 -1.00 113.55 117.77 2k0f h SER 77 Ca -0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.59 2k0f h SER 77 Cb 0.08 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2k0f h SER 77 CO 0.00 0.22 -2.00 -0.62 -1.14 0.00 0.00 176.83 173.29 2k0f n GLU 78 N -3.45 0.75 0.27 3.45 -0.58 -0.97 -3.93 120.64 116.18 2k0f n GLU 78 Ca -0.00 0.27 0.15 0.00 -0.42 0.00 0.00 57.16 57.15 2k0f n GLU 78 Cb 0.40 -1.70 0.77 0.00 -0.57 0.00 0.00 31.44 30.34 2k0f n GLU 78 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2k0f h GLU 79 N 0.02 0.00 -0.84 3.49 4.81 -1.44 -0.15 114.58 120.47 2k0f h GLU 79 Ca -0.43 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.83 2k0f h GLU 79 Cb 1.99 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.33 2k0f h GLU 79 CO 0.06 0.09 0.55 1.49 -0.73 0.00 0.00 179.01 180.48 2k0f h GLU 80 N 0.00 1.04 0.00 1.92 4.81 -1.30 0.11 114.58 121.15 2k0f h GLU 80 Ca -0.00 -0.06 -0.21 0.00 -0.13 0.00 0.00 59.36 58.95 2k0f h GLU 80 Cb 0.35 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 2k0f h GLU 80 CO 0.01 0.69 -1.38 0.82 -0.73 0.00 0.00 179.01 178.42 2k0f h ILE 81 N 1.07 0.82 -0.69 2.32 1.08 -1.20 -1.50 117.51 119.39 2k0f h ILE 81 Ca 0.32 -2.46 -0.02 0.00 -0.39 0.00 0.00 64.86 62.32 2k0f h ILE 81 Cb -0.02 2.32 -0.03 0.00 -3.07 0.00 0.00 36.82 36.02 2k0f h ILE 81 CO -0.09 0.46 0.36 0.03 -0.69 0.00 0.00 178.15 178.23 2k0f h ARG 82 N 0.00 0.96 -0.43 2.37 2.47 -0.75 -0.58 114.38 118.41 2k0f h ARG 82 Ca -0.17 -0.11 -0.02 0.00 -1.26 0.00 0.00 59.98 58.42 2k0f h ARG 82 Cb 1.75 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 29.86 2k0f h ARG 82 CO 0.07 0.72 0.20 0.93 0.56 0.00 0.00 179.97 182.45 2k0f h GLU 83 N 0.97 0.63 -0.39 0.04 4.39 -0.70 0.87 114.58 120.40 2k0f h GLU 83 Ca 0.24 -0.10 -0.14 0.00 0.34 0.00 0.00 59.36 59.70 2k0f h GLU 83 Cb 0.05 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2k0f h GLU 83 CO -0.04 0.56 -0.31 0.00 -1.16 0.00 0.00 179.01 178.06 2k0f h ALA 84 N 1.04 0.71 -0.74 3.43 0.00 -0.81 -0.92 119.26 121.97 2k0f h ALA 84 Ca 0.15 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.66 2k0f h ALA 84 Cb 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2k0f h ALA 84 CO -0.02 0.66 0.47 0.35 0.00 0.00 0.00 179.25 180.72 2k0f h PHE 85 N 0.72 0.88 0.00 0.00 3.57 -1.15 -2.65 116.94 118.31 2k0f h PHE 85 Ca 0.08 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2k0f h PHE 85 Cb 0.87 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 2k0f h PHE 85 CO 0.05 0.51 -0.09 -0.09 -2.23 0.00 0.00 178.31 176.47 2k0f h ARG 86 N 0.92 0.00 0.03 1.11 2.43 0.58 0.35 114.38 119.80 2k0f h ARG 86 Ca 0.29 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2k0f h ARG 86 Cb -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2k0f h ARG 86 CO -0.10 0.09 -0.02 0.28 -1.51 0.00 0.00 179.97 178.71 2k0f h VAL 87 N 0.00 1.29 0.25 0.20 2.07 -1.11 -3.36 116.25 115.59 2k0f h VAL 87 Ca -0.00 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 2k0f h VAL 87 Cb 0.22 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2k0f h VAL 87 CO 0.01 0.27 -0.12 -0.26 0.02 0.00 0.00 177.57 177.49 2k0f h PHE 88 N -0.52 -0.31 -2.20 1.57 0.04 -0.97 -3.40 116.94 111.16 2k0f h PHE 88 Ca -0.00 -0.01 -0.66 0.00 2.80 0.00 0.00 57.97 60.10 2k0f h PHE 88 Cb 0.48 0.10 -0.15 0.00 2.20 0.00 0.00 35.95 38.58 2k0f h PHE 88 CO 0.08 -0.01 0.92 0.34 -0.60 0.00 0.00 178.31 179.04 2k0f s ASP 89 N -5.12 6.50 -0.07 2.17 2.15 0.02 -4.69 116.67 117.64 2k0f s ASP 89 Ca -0.15 -1.68 -0.17 0.00 0.43 0.00 0.00 52.55 50.98 2k0f s ASP 89 Cb 0.03 -2.44 -0.13 0.00 -0.30 0.00 0.00 42.92 40.08 2k0f s ASP 89 CO 0.59 -1.25 0.67 0.50 -0.17 0.00 0.00 175.17 175.51 2k0f h LYS 90 N 9.20 -0.18 -0.20 4.34 1.63 -1.79 -3.26 116.57 126.31 2k0f h LYS 90 Ca 0.07 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.84 2k0f h LYS 90 Cb 1.03 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 2k0f h LYS 90 CO 1.19 0.21 -0.08 0.38 -3.45 0.00 0.00 179.45 177.70 2k0f h ASP 91 N -0.94 0.28 0.00 4.20 3.04 -1.93 -3.47 116.42 117.60 2k0f h ASP 91 Ca -0.02 -0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.72 2k0f h ASP 91 Cb 0.48 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.69 2k0f h ASP 91 CO 0.03 0.40 0.00 0.61 -2.04 0.00 0.00 179.24 178.25 2k0f n GLY 92 N -0.93 1.93 0.02 7.15 0.00 -1.23 -4.99 105.19 107.13 2k0f n GLY 92 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 0.14 -0.05 1.61 6.94 -1.26 -4.88 115.26 117.77 2k0f n ASN 93 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.57 2k0f n ASN 93 Cb 0.00 -0.27 0.00 0.00 -2.36 0.00 0.00 39.78 37.15 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 1.39 1.32 3.36 4.83 0.00 -1.26 -5.09 105.19 109.74 2k0f n GLY 94 Ca 0.11 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.10 -0.50 0.19 1.61 2.02 -1.25 -4.39 117.35 112.94 2k0f s TYR 95 Ca 0.00 0.87 -0.20 0.00 -0.37 0.00 0.00 57.07 57.37 2k0f s TYR 95 Cb 0.00 0.30 -0.08 0.00 -0.40 0.00 0.00 41.96 41.78 2k0f s TYR 95 CO 0.00 -0.25 0.70 0.42 -1.57 0.00 0.00 175.55 174.85 2k0f s ILE 96 N 2.25 4.58 0.56 2.71 1.01 0.46 -4.69 121.20 128.08 2k0f s ILE 96 Ca -0.02 1.31 0.06 0.00 0.00 0.00 0.00 60.65 61.99 2k0f s ILE 96 Cb -0.04 -3.90 0.05 0.00 0.01 0.00 0.00 42.46 38.58 2k0f s ILE 96 CO -0.17 0.30 0.47 -0.55 0.00 0.00 0.00 174.94 174.99 2k0f s SER 97 N -1.52 4.67 0.10 3.58 0.15 -1.26 -2.66 113.70 116.76 2k0f s SER 97 Ca 0.40 -1.23 -0.11 0.00 0.70 0.00 0.00 55.95 55.71 2k0f s SER 97 Cb -0.18 0.50 -0.18 0.00 -1.71 0.00 0.00 66.02 64.45 2k0f s SER 97 CO 0.21 -1.19 1.24 0.00 1.20 0.00 0.00 173.24 174.71 2k0f h ALA 98 N 0.63 0.23 -0.02 5.45 0.00 -1.99 -1.40 119.26 122.16 2k0f h ALA 98 Ca -0.35 -0.69 0.04 0.00 0.00 0.00 0.00 54.91 53.90 2k0f h ALA 98 Cb 1.30 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 2k0f h ALA 98 CO 0.54 0.73 -0.32 0.00 0.00 0.00 0.00 179.25 180.20 2k0f h ALA 99 N 0.53 -0.45 -0.27 0.00 0.00 -1.98 -2.24 119.26 114.85 2k0f h ALA 99 Ca -0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2k0f h ALA 99 Cb 1.63 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.98 2k0f h ALA 99 CO 0.19 -0.83 0.12 0.93 0.00 0.00 0.00 179.25 179.66 2k0f h GLU 100 N -0.46 0.40 -0.50 0.00 5.08 -1.87 -1.31 114.58 115.92 2k0f h GLU 100 Ca 0.07 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 2k0f h GLU 100 Cb 0.55 -0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.63 2k0f h GLU 100 CO -0.28 0.40 -0.33 -0.07 -1.00 0.00 0.00 179.01 177.73 2k0f h LEU 101 N 0.30 -1.11 -1.73 1.33 3.38 -1.24 -0.24 115.31 116.00 2k0f h LEU 101 Ca 0.09 0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 2k0f h LEU 101 Cb 0.14 0.54 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 2k0f h LEU 101 CO -0.01 -0.31 -0.16 0.03 0.09 0.00 0.00 178.44 178.08 2k0f h ARG 102 N -0.20 0.00 -0.08 1.13 3.08 -1.16 0.18 114.38 117.33 2k0f h ARG 102 Ca 0.20 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 2k0f h ARG 102 Cb 0.54 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 2k0f h ARG 102 CO -0.61 0.16 -0.04 0.45 -1.07 0.00 0.00 179.97 178.86 2k0f h HIS 103 N 0.00 0.19 0.05 3.04 3.86 -0.50 -3.08 115.15 118.70 2k0f h HIS 103 Ca -0.00 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2k0f h HIS 103 Cb 0.30 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.73 2k0f h HIS 103 CO 0.00 0.54 -0.03 0.28 0.86 0.00 0.00 177.93 179.59 2k0f h VAL 104 N -0.22 1.22 -0.34 2.45 2.07 0.41 -2.68 116.25 119.15 2k0f h VAL 104 Ca 0.02 -0.94 0.10 0.00 0.82 0.00 0.00 66.70 66.69 2k0f h VAL 104 Cb 0.50 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2k0f h VAL 104 CO 0.01 0.23 0.26 0.24 0.02 0.00 0.00 177.57 178.34 2k0f h MET 105 N -0.49 0.00 0.07 1.57 2.07 -0.86 0.11 114.93 117.39 2k0f h MET 105 Ca -0.01 0.00 -0.31 0.00 -2.07 0.00 0.00 59.70 57.32 2k0f h MET 105 Cb 0.44 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.14 2k0f h MET 105 CO 0.01 0.00 -1.64 0.00 1.07 0.00 0.00 176.91 176.35 2k0f h THR 106 N 0.00 0.99 0.00 2.22 1.03 -1.41 0.29 112.91 116.02 2k0f h THR 106 Ca 0.16 -2.72 -0.18 0.00 -0.01 0.00 0.00 66.41 63.66 2k0f h THR 106 Cb 0.69 2.61 -0.02 0.00 -1.07 0.00 0.00 68.15 70.36 2k0f h THR 106 CO -0.00 0.74 -0.85 0.78 -0.01 0.00 0.00 175.52 176.18 2k0f h ASN 107 N 0.04 0.10 -0.10 0.00 2.35 -1.34 -3.36 115.58 113.27 2k0f h ASN 107 Ca -0.28 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.31 2k0f h ASN 107 Cb 2.00 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 40.34 2k0f h ASN 107 CO 0.12 0.90 -0.25 0.25 -1.65 0.00 0.00 177.43 176.79 2k0f h LEU 108 N 0.04 0.41 0.00 1.61 5.85 -0.76 -3.44 115.31 119.02 2k0f h LEU 108 Ca -0.02 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.12 2k0f h LEU 108 Cb 1.48 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2k0f h LEU 108 CO 0.12 0.91 0.00 0.61 -0.34 0.00 0.00 178.44 179.74 2k0f n GLY 109 N 0.50 0.92 1.44 3.75 0.00 0.27 -4.64 105.19 107.43 2k0f n GLY 109 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 2k0f n GLY 109 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k0f n GLU 110 N 0.00 1.17 -3.15 1.61 0.00 0.75 -4.87 120.64 116.15 2k0f n GLU 110 Ca 0.00 -1.29 -0.20 0.00 0.00 0.00 0.00 57.16 55.67 2k0f n GLU 110 Cb 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 31.44 31.51 2k0f n GLU 110 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2k0f n LYS 111 N -1.01 0.44 -2.84 5.31 5.02 -1.26 -4.54 118.16 119.29 2k0f n LYS 111 Ca -0.01 -2.80 -0.41 0.00 -2.02 0.00 0.00 58.31 53.08 2k0f n LYS 111 Cb 0.24 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.70 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k0f s LEU 112 N -0.16 4.45 0.84 -0.35 1.02 -1.26 -5.07 118.68 118.16 2k0f s LEU 112 Ca 0.33 1.61 -0.08 0.00 0.02 0.00 0.00 54.13 56.01 2k0f s LEU 112 Cb 0.08 -3.43 0.17 0.00 0.02 0.00 0.00 46.19 43.04 2k0f s LEU 112 CO -0.15 -0.07 1.16 0.42 0.02 0.00 0.00 176.35 177.73 2k0f s THR 113 N 0.18 2.05 0.04 5.49 -4.23 -1.26 -4.83 115.64 113.07 2k0f s THR 113 Ca 0.44 -0.33 -0.20 0.00 -1.18 0.00 0.00 61.69 60.43 2k0f s THR 113 Cb -0.22 -2.72 -0.14 0.00 1.34 0.00 0.00 72.50 70.76 2k0f s THR 113 CO 0.26 0.00 1.33 0.44 -0.54 0.00 0.00 174.62 176.12 2k0f h ASP 114 N -1.08 0.44 -0.98 3.99 3.32 -1.98 -0.62 116.42 119.51 2k0f h ASP 114 Ca -0.39 -0.50 0.14 0.00 0.02 0.00 0.00 57.03 56.29 2k0f h ASP 114 Cb 1.25 -0.13 -0.09 0.00 0.22 0.00 0.00 39.33 40.58 2k0f h ASP 114 CO 0.37 0.86 0.60 -0.08 -1.72 0.00 0.00 179.24 179.27 2k0f h GLU 115 N 0.04 0.86 -0.01 3.56 4.81 -1.98 0.23 114.58 122.09 2k0f h GLU 115 Ca 0.02 -0.05 -0.24 0.00 -0.13 0.00 0.00 59.36 58.96 2k0f h GLU 115 Cb 0.75 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.95 2k0f h GLU 115 CO 0.05 0.57 -0.98 1.49 -0.73 0.00 0.00 179.01 179.40 2k0f h GLU 116 N 0.88 0.55 -0.49 1.92 4.81 -1.88 -1.07 114.58 119.30 2k0f h GLU 116 Ca 0.51 -0.58 0.10 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 116 Cb 0.62 0.16 -0.09 0.00 0.63 0.00 0.00 28.75 30.08 2k0f h GLU 116 CO -0.31 1.20 -0.08 0.28 -0.73 0.00 0.00 179.01 179.38 2k0f h VAL 117 N 0.31 0.55 -0.92 0.32 2.07 -0.57 0.11 116.25 118.12 2k0f h VAL 117 Ca -0.10 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.42 2k0f h VAL 117 Cb 1.62 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 2k0f h VAL 117 CO 0.18 0.01 0.61 0.44 0.02 0.00 0.00 177.57 178.82 2k0f h ASP 118 N 0.04 1.04 -0.44 0.57 3.32 -0.39 -2.17 116.42 118.39 2k0f h ASP 118 Ca 0.24 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 2k0f h ASP 118 Cb 0.37 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2k0f h ASP 118 CO -0.47 0.74 0.12 -0.08 -1.72 0.00 0.00 179.24 177.83 2k0f h GLU 119 N 1.22 0.69 -0.18 3.56 4.81 -0.97 -2.92 114.58 120.80 2k0f h GLU 119 Ca 0.35 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2k0f h GLU 119 Cb -0.10 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 2k0f h GLU 119 CO -0.09 0.69 -0.01 1.98 -0.73 0.00 0.00 179.01 180.85 2k0f h MET 120 N 0.57 0.32 -0.33 1.92 4.05 -0.77 -2.16 114.93 118.53 2k0f h MET 120 Ca 0.14 -0.11 -0.06 0.00 -0.28 0.00 0.00 59.70 59.39 2k0f h MET 120 Cb 0.30 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 2k0f h MET 120 CO -0.00 0.55 -0.03 0.82 0.23 0.00 0.00 176.91 178.47 2k0f h ILE 121 N 0.07 1.27 -0.31 1.77 2.04 -1.48 -2.43 117.51 118.44 2k0f h ILE 121 Ca 0.05 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 2k0f h ILE 121 Cb 0.41 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 2k0f h ILE 121 CO 0.01 0.34 0.08 -0.09 0.00 0.00 0.00 178.15 178.49 2k0f h ARG 122 N 0.41 0.44 -0.66 2.37 2.43 -1.47 0.14 114.38 118.03 2k0f h ARG 122 Ca 0.09 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 2k0f h ARG 122 Cb 0.51 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 2k0f h ARG 122 CO 0.02 0.40 0.44 1.49 -1.51 0.00 0.00 179.97 180.81 2k0f h GLU 123 N 0.43 0.65 0.00 0.20 4.81 -0.87 -3.17 114.58 116.62 2k0f h GLU 123 Ca 0.10 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 123 Cb 0.16 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2k0f h GLU 123 CO -0.01 0.43 -0.54 0.00 -0.73 0.00 0.00 179.01 178.17 2k0f h ALA 124 N 1.64 0.09 -2.21 2.92 0.00 -1.22 -3.48 119.26 117.01 2k0f h ALA 124 Ca 0.28 -0.67 -0.55 0.00 0.00 0.00 0.00 54.91 53.97 2k0f h ALA 124 Cb 0.26 0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.41 2k0f h ALA 124 CO -0.09 0.34 1.29 0.34 0.00 0.00 0.00 179.25 181.13 2k0f s ASP 125 N -6.25 6.16 -0.15 0.00 -1.08 0.37 -4.89 116.67 110.83 2k0f s ASP 125 Ca -0.19 2.32 -0.25 0.00 -0.52 0.00 0.00 52.55 53.91 2k0f s ASP 125 Cb 0.02 -2.52 -0.22 0.00 -1.46 0.00 0.00 42.92 38.73 2k0f s ASP 125 CO 0.46 -1.33 0.58 0.40 0.52 0.00 0.00 175.17 175.80 2k0f h ILE 126 N 6.12 1.44 -0.22 4.11 2.04 -1.90 -3.35 117.51 125.75 2k0f h ILE 126 Ca -0.45 -2.17 -0.00 0.00 1.00 0.00 0.00 64.86 63.24 2k0f h ILE 126 Cb 1.23 2.80 -0.01 0.00 -0.74 0.00 0.00 36.82 40.10 2k0f h ILE 126 CO 0.95 0.49 0.12 0.44 0.00 0.00 0.00 178.15 180.15 2k0f h ASP 127 N -1.00 0.25 0.00 1.72 3.32 -1.94 -3.47 116.42 115.31 2k0f h ASP 127 Ca -0.06 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2k0f h ASP 127 Cb 0.96 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2k0f h ASP 127 CO -0.04 0.21 0.00 0.61 -1.72 0.00 0.00 179.24 178.30 2k0f n GLY 128 N -1.43 0.43 0.02 2.75 0.00 -1.26 -4.92 105.19 100.78 2k0f n GLY 128 Ca 0.00 -1.00 0.11 0.00 0.00 0.00 0.00 46.02 45.13 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 1.87 0.50 0.00 1.61 5.75 -1.26 -5.00 116.55 120.02 2k0f n ASP 129 Ca 0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 54.79 54.46 2k0f n ASP 129 Cb 0.07 1.29 0.00 0.00 -1.03 0.00 0.00 41.12 41.44 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 130 N 1.35 1.48 3.60 6.12 0.00 -1.26 -5.00 105.19 111.48 2k0f n GLY 130 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.25 3.82 -0.23 1.61 -0.21 -1.26 -4.82 119.66 118.31 2k0f s GLN 131 Ca 0.00 0.50 -0.26 0.00 0.02 0.00 0.00 55.36 55.62 2k0f s GLN 131 Cb 0.00 -3.80 -0.00 0.00 1.00 0.00 0.00 33.01 30.20 2k0f s GLN 131 CO 0.00 -0.91 0.87 0.08 -2.12 0.00 0.00 175.29 173.21 2k0f s VAL 132 N 3.35 4.81 0.57 1.09 1.01 -1.09 -4.83 120.40 125.32 2k0f s VAL 132 Ca 0.36 1.67 0.05 0.00 0.00 0.00 0.00 61.98 64.06 2k0f s VAL 132 Cb -0.12 -4.16 0.07 0.00 0.00 0.00 0.00 36.38 32.17 2k0f s VAL 132 CO 0.18 -0.09 0.79 0.54 0.00 0.00 0.00 175.10 176.53 2k0f s ASN 133 N 1.29 5.06 0.04 3.32 2.20 -1.26 -0.40 114.94 125.19 2k0f s ASN 133 Ca 0.37 -0.43 -0.19 0.00 -0.94 0.00 0.00 52.86 51.67 2k0f s ASN 133 Cb -0.15 -0.26 -0.16 0.00 -2.00 0.00 0.00 41.25 38.67 2k0f s ASN 133 CO 0.07 -1.31 1.26 0.22 -2.94 0.00 0.00 177.10 174.41 2k0f h TYR 134 N 0.07 0.60 -0.41 1.54 3.20 -1.97 -0.73 116.97 119.26 2k0f h TYR 134 Ca -0.37 -0.23 0.09 0.00 3.14 0.00 0.00 58.73 61.36 2k0f h TYR 134 Cb 1.28 -0.10 -0.09 0.00 1.54 0.00 0.00 36.73 39.36 2k0f h TYR 134 CO 0.25 0.97 -0.18 0.93 -1.64 0.00 0.00 178.16 178.49 2k0f h GLU 135 N 0.06 -0.09 -0.48 1.82 4.39 -1.97 -1.48 114.58 116.82 2k0f h GLU 135 Ca -0.01 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k0f h GLU 135 Cb 0.97 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 2k0f h GLU 135 CO 0.08 -0.06 0.30 1.49 -1.16 0.00 0.00 179.01 179.66 2k0f h GLU 136 N -0.09 0.64 0.07 2.33 4.81 -1.94 -2.59 114.58 117.81 2k0f h GLU 136 Ca 0.20 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2k0f h GLU 136 Cb 0.40 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2k0f h GLU 136 CO -0.48 0.44 -0.03 0.35 -0.73 0.00 0.00 179.01 178.56 2k0f h PHE 137 N 0.66 -0.09 -0.37 0.92 3.57 -0.69 -1.74 116.94 119.20 2k0f h PHE 137 Ca 0.18 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 2k0f h PHE 137 Cb -0.04 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2k0f h PHE 137 CO 0.00 0.13 0.22 0.28 -2.23 0.00 0.00 178.31 176.72 2k0f h VAL 138 N -0.30 1.12 -0.82 1.41 2.07 -1.04 0.13 116.25 118.82 2k0f h VAL 138 Ca -0.01 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2k0f h VAL 138 Cb 0.26 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 2k0f h VAL 138 CO 0.02 0.12 0.46 -0.61 0.02 0.00 0.00 177.57 177.58 2k0f h GLN 139 N 0.48 1.14 -0.55 1.57 4.15 -1.55 -0.60 115.11 119.76 2k0f h GLN 139 Ca 0.13 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 2k0f h GLN 139 Cb -0.00 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.43 2k0f h GLN 139 CO -0.03 0.83 0.32 1.98 -1.93 0.00 0.00 178.83 180.01 2k0f h MET 140 N 1.14 0.74 0.00 1.69 4.05 -0.93 -3.35 114.93 118.27 2k0f h MET 140 Ca 0.29 -0.06 -0.32 0.00 -0.28 0.00 0.00 59.70 59.33 2k0f h MET 140 Cb 0.01 -0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 30.60 2k0f h MET 140 CO -0.05 0.52 -2.09 -1.33 0.23 0.00 0.00 176.91 174.20 2k0f n MET 141 N -4.42 0.66 0.00 0.39 2.81 0.00 -5.08 117.12 111.48 2k0f n MET 141 Ca 0.05 0.10 0.13 0.00 -1.81 0.00 0.00 57.70 56.17 2k0f n MET 141 Cb 0.08 -1.63 0.78 0.00 -0.71 0.00 0.00 33.22 31.74 2k0f n MET 141 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89