#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 0.99 -0.43 -0.78 4.39 -2.05 -2.28 114.58 114.43 2k0f h GLU 2 Ca 0.00 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 2k0f h GLU 2 Cb 0.00 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 2k0f h GLU 2 CO 0.00 0.88 0.21 0.93 -1.16 0.00 0.00 179.01 179.87 2k0f h GLU 3 N 0.92 0.59 0.03 2.33 5.08 -2.05 -0.25 114.58 121.22 2k0f h GLU 3 Ca 0.20 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.38 2k0f h GLU 3 Cb 0.31 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2k0f h GLU 3 CO -0.00 0.45 -0.65 1.96 -1.00 0.00 0.00 179.01 179.77 2k0f h GLN 4 N 0.60 0.07 -0.92 2.33 4.20 -1.93 -2.90 115.11 116.56 2k0f h GLN 4 Ca 0.15 -0.12 0.20 0.00 0.06 0.00 0.00 58.65 58.95 2k0f h GLN 4 Cb 0.05 0.04 -0.11 0.00 0.30 0.00 0.00 27.48 27.76 2k0f h GLN 4 CO -0.02 1.06 0.48 0.82 -0.67 0.00 0.00 178.83 180.49 2k0f h ILE 5 N -0.83 0.59 -0.49 2.54 1.08 -1.31 -0.29 117.51 118.80 2k0f h ILE 5 Ca -0.16 -0.19 0.10 0.00 -0.39 0.00 0.00 64.86 64.22 2k0f h ILE 5 Cb 1.27 -0.01 -0.08 0.00 -3.07 0.00 0.00 36.82 34.93 2k0f h ILE 5 CO -0.03 0.10 -0.03 0.00 -0.69 0.00 0.00 178.15 177.50 2k0f h ALA 6 N 1.67 0.43 -0.09 1.87 0.00 -1.12 -1.34 119.26 120.67 2k0f h ALA 6 Ca 0.56 0.16 -0.14 0.00 0.00 0.00 0.00 54.91 55.48 2k0f h ALA 6 Cb 0.97 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2k0f h ALA 6 CO -0.45 -0.40 -0.58 1.49 0.00 0.00 0.00 179.25 179.31 2k0f h GLU 7 N 0.08 0.28 0.03 0.00 4.81 -1.06 -1.35 114.58 117.38 2k0f h GLU 7 Ca 0.24 -0.19 -0.23 0.00 -0.13 0.00 0.00 59.36 59.06 2k0f h GLU 7 Cb 0.37 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2k0f h GLU 7 CO -0.43 0.78 -1.07 0.74 -0.73 0.00 0.00 179.01 178.30 2k0f h PHE 8 N 0.22 0.13 0.00 0.92 0.04 -1.04 -3.06 116.94 114.15 2k0f h PHE 8 Ca -0.00 -0.10 -0.23 0.00 2.80 0.00 0.00 57.97 60.44 2k0f h PHE 8 Cb 1.08 -0.01 0.02 0.00 2.20 0.00 0.00 35.95 39.24 2k0f h PHE 8 CO 0.02 1.08 -0.89 -0.22 -0.60 0.00 0.00 178.31 177.70 2k0f h LYS 9 N 0.02 0.60 0.00 1.51 3.64 -0.79 -2.62 116.57 118.93 2k0f h LYS 9 Ca -0.05 -0.65 -0.02 0.00 -1.27 0.00 0.00 60.65 58.67 2k0f h LYS 9 Cb 1.83 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 33.83 2k0f h LYS 9 CO 0.15 1.25 -0.09 0.93 -2.27 0.00 0.00 179.45 179.42 2k0f h GLU 10 N 0.21 0.00 -0.26 1.90 5.08 -1.35 -0.91 114.58 119.26 2k0f h GLU 10 Ca -0.11 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.08 2k0f h GLU 10 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.82 2k0f h GLU 10 CO 0.18 0.09 -0.51 0.00 -1.00 0.00 0.00 179.01 177.77 2k0f h ALA 11 N 1.91 0.41 -0.16 3.43 0.00 -1.47 -3.10 119.26 120.28 2k0f h ALA 11 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2k0f h ALA 11 Cb 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2k0f h ALA 11 CO 0.01 0.60 0.10 0.35 0.00 0.00 0.00 179.25 180.31 2k0f h PHE 12 N 0.56 0.20 -1.01 0.00 3.04 -0.90 -2.86 116.94 115.97 2k0f h PHE 12 Ca 0.01 0.00 0.24 0.00 3.98 0.00 0.00 57.97 62.20 2k0f h PHE 12 Cb 1.12 -0.07 -0.10 0.00 2.56 0.00 0.00 35.95 39.46 2k0f h PHE 12 CO 0.08 0.15 0.64 0.77 -2.02 0.00 0.00 178.31 177.92 2k0f h SER 13 N 0.19 0.56 -0.90 0.41 0.02 -1.28 0.21 113.55 112.76 2k0f h SER 13 Ca 0.06 0.09 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 2k0f h SER 13 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 2k0f h SER 13 CO -0.01 0.14 0.58 -0.07 -1.14 0.00 0.00 176.83 176.32 2k0f h LEU 14 N 0.51 0.94 0.06 5.07 3.38 -1.42 -3.27 115.31 120.57 2k0f h LEU 14 Ca 0.59 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.48 2k0f h LEU 14 Cb 1.30 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.85 2k0f h LEU 14 CO -0.34 0.63 -0.34 -0.26 0.09 0.00 0.00 178.44 178.22 2k0f h PHE 15 N 1.09 0.23 -2.76 1.13 0.04 -1.17 -3.42 116.94 112.07 2k0f h PHE 15 Ca 0.37 -0.17 -0.57 0.00 2.80 0.00 0.00 57.97 60.41 2k0f h PHE 15 Cb 0.07 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 2k0f h PHE 15 CO -0.02 1.12 1.18 0.34 -0.60 0.00 0.00 178.31 180.33 2k0f s ASP 16 N -6.53 6.21 0.00 2.17 -1.08 0.60 -4.71 116.67 113.33 2k0f s ASP 16 Ca -0.17 1.47 0.19 0.00 -0.52 0.00 0.00 52.55 53.52 2k0f s ASP 16 Cb -0.01 -2.53 -0.08 0.00 -1.46 0.00 0.00 42.92 38.83 2k0f s ASP 16 CO 0.75 -1.43 0.90 0.29 0.52 0.00 0.00 175.17 176.20 2k0f n LYS 17 N 7.96 1.26 -0.00 4.34 4.76 -1.26 -4.07 118.16 131.14 2k0f n LYS 17 Ca 0.20 -0.55 -0.00 0.00 -2.87 0.00 0.00 58.31 55.09 2k0f n LYS 17 Cb 0.46 -1.37 -0.00 0.00 -1.84 0.00 0.00 35.03 32.28 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2k0f h ASP 18 N 1.29 0.00 0.00 4.39 3.32 -1.91 -3.49 116.42 120.02 2k0f h ASP 18 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k0f h ASP 18 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2k0f h ASP 18 CO 0.00 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 2k0f n GLY 19 N 1.97 1.89 0.12 2.75 0.00 -1.26 -5.05 105.19 105.61 2k0f n GLY 19 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 1.71 0.00 1.61 5.75 -1.26 -4.99 116.55 119.37 2k0f n ASP 20 Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 2k0f n ASP 20 Cb 0.00 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.58 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 1.93 1.88 3.06 6.12 0.00 -1.26 -5.13 105.19 111.79 2k0f n GLY 21 Ca -0.31 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N -2.00 -0.01 -0.37 2.61 -4.23 -1.26 -3.74 115.64 106.64 2k0f s THR 22 Ca 0.00 0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.38 2k0f s THR 22 Cb 0.00 -0.28 -0.00 0.00 1.34 0.00 0.00 72.50 73.56 2k0f s THR 22 CO 0.00 0.01 0.38 -0.63 -0.54 0.00 0.00 174.62 173.84 2k0f s ILE 23 N 0.27 5.15 0.87 2.99 1.01 0.33 -4.76 121.20 127.06 2k0f s ILE 23 Ca -0.01 -0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.44 2k0f s ILE 23 Cb -0.03 -3.89 0.11 0.00 0.01 0.00 0.00 42.46 38.67 2k0f s ILE 23 CO -0.01 -0.19 1.13 0.42 0.00 0.00 0.00 174.94 176.29 2k0f s THR 24 N 2.05 2.26 0.31 2.92 -4.23 -1.26 -2.67 115.64 115.02 2k0f s THR 24 Ca 0.12 0.08 0.23 0.00 -1.18 0.00 0.00 61.69 60.94 2k0f s THR 24 Cb -0.17 -2.88 0.22 0.00 1.34 0.00 0.00 72.50 71.02 2k0f s THR 24 CO 0.12 -0.11 1.93 0.71 -0.54 0.00 0.00 174.62 176.73 2k0f h THR 25 N -1.33 0.74 0.15 3.99 1.35 -1.92 -0.63 112.91 115.26 2k0f h THR 25 Ca -0.49 -0.94 -0.26 0.00 -0.55 0.00 0.00 66.41 64.17 2k0f h THR 25 Cb 1.32 1.58 0.03 0.00 -1.73 0.00 0.00 68.15 69.35 2k0f h THR 25 CO 0.62 0.22 -1.13 0.11 -0.25 0.00 0.00 175.52 175.09 2k0f h LYS 26 N 0.00 0.50 -0.08 4.72 1.57 -1.97 -0.80 116.57 120.52 2k0f h LYS 26 Ca -0.00 -0.74 -0.16 0.00 -1.87 0.00 0.00 60.65 57.89 2k0f h LYS 26 Cb 0.56 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 2k0f h LYS 26 CO 0.03 1.33 -0.63 0.93 -0.57 0.00 0.00 179.45 180.54 2k0f h GLU 27 N 0.03 0.29 0.09 3.15 5.08 -1.87 0.80 114.58 122.14 2k0f h GLU 27 Ca -0.18 -0.21 -0.26 0.00 -1.00 0.00 0.00 59.36 57.71 2k0f h GLU 27 Cb 1.85 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 2k0f h GLU 27 CO 0.21 0.82 -1.24 1.25 -1.00 0.00 0.00 179.01 179.06 2k0f h LEU 28 N 0.21 0.29 -0.84 1.33 5.85 -1.23 -2.85 115.31 118.06 2k0f h LEU 28 Ca -0.01 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 2k0f h LEU 28 Cb 1.16 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 2k0f h LEU 28 CO 0.10 1.26 0.52 1.23 -0.34 0.00 0.00 178.44 181.21 2k0f h GLY 29 N 2.06 1.22 0.96 3.75 0.00 -0.74 -2.80 103.07 107.52 2k0f h GLY 29 Ca -0.12 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 2k0f h GLY 29 CO 0.17 0.48 0.20 -0.84 0.00 0.00 0.00 176.54 176.56 2k0f h THR 30 N 1.16 1.18 -0.31 4.70 2.02 -0.86 -0.65 112.91 120.14 2k0f h THR 30 Ca 0.30 -0.51 0.01 0.00 0.77 0.00 0.00 66.41 66.98 2k0f h THR 30 Cb -0.06 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2k0f h THR 30 CO -0.06 0.19 0.19 0.58 0.37 0.00 0.00 175.52 176.79 2k0f h VAL 31 N 0.55 1.05 -0.00 3.16 2.07 -1.51 -0.93 116.25 120.64 2k0f h VAL 31 Ca 0.15 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 2k0f h VAL 31 Cb 0.12 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2k0f h VAL 31 CO -0.02 0.07 0.00 0.24 0.02 0.00 0.00 177.57 177.88 2k0f h MET 32 N 0.38 0.00 0.00 1.57 2.86 -1.40 -3.06 114.93 115.29 2k0f h MET 32 Ca 0.12 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 2k0f h MET 32 Cb -0.02 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 2k0f h MET 32 CO -0.04 0.07 -0.08 0.00 1.06 0.00 0.00 176.91 177.92 2k0f h ARG 33 N -0.06 0.00 0.01 1.72 3.08 -0.99 0.21 114.38 118.35 2k0f h ARG 33 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k0f h ARG 33 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2k0f h ARG 33 CO -0.00 0.08 -0.01 1.03 -1.07 0.00 0.00 179.97 180.00 2k0f h SER 34 N 0.00 -0.01 -0.41 7.04 0.87 -1.11 -3.29 113.55 116.65 2k0f h SER 34 Ca -0.00 -0.49 -0.14 0.00 -1.23 0.00 0.00 61.79 59.93 2k0f h SER 34 Cb 0.34 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2k0f h SER 34 CO 0.01 0.49 -0.26 -0.07 -0.53 0.00 0.00 176.83 176.46 2k0f h LEU 35 N -0.52 0.96 0.00 2.23 3.38 -1.40 -3.47 115.31 116.49 2k0f h LEU 35 Ca -0.00 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2k0f h LEU 35 Cb 0.50 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2k0f h LEU 35 CO 0.00 1.16 0.00 0.61 0.09 0.00 0.00 178.44 180.31 2k0f n GLY 36 N -0.07 0.00 2.95 0.83 0.00 0.51 -5.12 105.19 104.29 2k0f n GLY 36 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.12 -0.90 1.61 2.00 0.12 -4.94 119.66 117.68 2k0f s GLN 37 Ca 0.00 0.67 -0.12 0.00 -2.00 0.00 0.00 55.36 53.91 2k0f s GLN 37 Cb 0.00 -0.17 0.23 0.00 0.80 0.00 0.00 33.01 33.87 2k0f s GLN 37 CO 0.00 -0.32 0.85 1.21 -0.50 0.00 0.00 175.29 176.53 2k0f s ASN 38 N 2.38 6.84 1.00 6.67 2.47 -1.26 -2.91 114.94 130.13 2k0f s ASN 38 Ca 0.02 -2.95 -0.16 0.00 0.42 0.00 0.00 52.86 50.19 2k0f s ASN 38 Cb -0.12 -2.19 0.20 0.00 -1.45 0.00 0.00 41.25 37.69 2k0f s ASN 38 CO -0.08 -0.48 1.21 -2.16 -3.72 0.00 0.00 177.10 171.87 2k0f s PRO 39 N -0.25 0.36 0.71 0.43 0.04 -1.26 -5.10 135.00 129.93 2k0f s PRO 39 Ca 0.21 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.13 2k0f s PRO 39 Cb -0.10 -1.79 0.13 0.00 0.04 0.00 0.00 34.50 32.78 2k0f s PRO 39 CO -0.09 -2.65 0.98 0.95 0.04 0.00 0.00 177.00 176.24 2k0f s THR 40 N -3.49 2.11 0.16 1.26 -4.23 -1.26 -4.93 115.64 105.25 2k0f s THR 40 Ca 0.70 -0.63 -0.07 0.00 -1.18 0.00 0.00 61.69 60.51 2k0f s THR 40 Cb -0.08 -2.48 -0.09 0.00 1.34 0.00 0.00 72.50 71.19 2k0f s THR 40 CO 0.54 0.00 1.43 -0.33 -0.54 0.00 0.00 174.62 175.71 2k0f h GLU 41 N -0.48 0.65 -0.81 3.99 4.39 -1.99 -1.76 114.58 118.57 2k0f h GLU 41 Ca -0.35 -0.45 0.15 0.00 0.34 0.00 0.00 59.36 59.04 2k0f h GLU 41 Cb 1.27 0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 29.89 2k0f h GLU 41 CO 0.40 1.07 0.37 0.00 -1.16 0.00 0.00 179.01 179.69 2k0f h ALA 42 N 0.82 1.19 -0.27 3.43 0.00 -1.99 -1.69 119.26 120.75 2k0f h ALA 42 Ca -0.01 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 2k0f h ALA 42 Cb 1.21 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2k0f h ALA 42 CO 0.12 -0.15 -0.45 0.93 0.00 0.00 0.00 179.25 179.70 2k0f h GLU 43 N 0.53 0.68 -0.14 0.00 5.08 -1.86 -0.53 114.58 118.34 2k0f h GLU 43 Ca 0.44 -0.38 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 43 Cb 0.66 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2k0f h GLU 43 CO -0.39 0.99 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.08 2k0f h LEU 44 N 0.55 0.38 -0.30 1.33 3.38 -1.19 -2.48 115.31 116.98 2k0f h LEU 44 Ca 0.03 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2k0f h LEU 44 Cb 0.99 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2k0f h LEU 44 CO 0.09 0.79 0.03 -0.61 0.09 0.00 0.00 178.44 178.83 2k0f h GLN 45 N 0.29 0.51 -0.23 1.13 5.75 -1.09 -2.91 115.11 118.56 2k0f h GLN 45 Ca 0.02 -0.15 0.07 0.00 -0.15 0.00 0.00 58.65 58.44 2k0f h GLN 45 Cb 0.93 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.41 2k0f h GLN 45 CO 0.08 0.63 0.18 0.22 -2.65 0.00 0.00 178.83 177.28 2k0f h ASP 46 N 0.32 0.00 0.32 -0.69 3.58 -1.02 0.15 116.42 119.07 2k0f h ASP 46 Ca 0.09 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 2k0f h ASP 46 Cb 0.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2k0f h ASP 46 CO 0.01 0.00 -0.15 0.24 -2.88 0.00 0.00 179.24 176.46 2k0f h MET 47 N 0.00 -0.41 -0.76 0.28 2.86 -1.40 -3.34 114.93 112.16 2k0f h MET 47 Ca 0.11 0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.87 2k0f h MET 47 Cb 0.47 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.15 2k0f h MET 47 CO -0.00 -0.08 0.41 0.82 1.06 0.00 0.00 176.91 179.12 2k0f h ILE 48 N -0.90 0.88 -1.19 -1.22 2.04 -1.22 -0.69 117.51 115.21 2k0f h ILE 48 Ca -0.04 -0.24 0.43 0.00 1.00 0.00 0.00 64.86 66.01 2k0f h ILE 48 Cb 0.52 0.13 -0.15 0.00 -0.74 0.00 0.00 36.82 36.58 2k0f h ILE 48 CO 0.07 0.13 0.72 0.78 0.00 0.00 0.00 178.15 179.85 2k0f h ASN 49 N 0.69 0.29 0.61 1.72 2.35 -0.86 -0.22 115.58 120.16 2k0f h ASN 49 Ca 0.37 0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 56.28 2k0f h ASN 49 Cb 0.36 0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 2k0f h ASN 49 CO -0.25 -0.28 -0.38 -0.08 -1.65 0.00 0.00 177.43 174.78 2k0f h GLU 50 N 0.07 -0.89 0.00 0.81 4.57 -1.24 -3.27 114.58 114.63 2k0f h GLU 50 Ca 0.84 0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 58.92 2k0f h GLU 50 Cb 2.42 0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 31.19 2k0f h GLU 50 CO -0.57 -0.59 -0.73 -0.39 -1.18 0.00 0.00 179.01 175.54 2k0f h VAL 51 N -0.92 1.41 -1.93 0.32 -1.51 -1.64 -3.44 116.25 108.53 2k0f h VAL 51 Ca -0.08 -2.61 -0.59 0.00 -1.23 0.00 0.00 66.70 62.19 2k0f h VAL 51 Cb 0.74 2.45 0.00 0.00 -2.13 0.00 0.00 31.29 32.36 2k0f h VAL 51 CO 0.08 0.72 1.45 -0.67 -1.23 0.00 0.00 177.57 177.91 2k0f n ASP 52 N -3.50 3.25 -0.10 4.19 2.03 -0.11 -4.84 116.55 117.48 2k0f n ASP 52 Ca -0.00 0.32 -0.17 0.00 0.52 0.00 0.00 54.79 55.46 2k0f n ASP 52 Cb 0.76 -1.52 -0.08 0.00 -0.72 0.00 0.00 41.12 39.56 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f n ALA 53 N 10.93 0.75 -0.09 -1.67 0.00 -1.26 -4.50 120.51 124.66 2k0f n ALA 53 Ca 0.30 -0.56 -0.01 0.00 0.00 0.00 0.00 53.44 53.16 2k0f n ALA 53 Cb 0.42 -0.27 0.25 0.00 0.00 0.00 0.00 19.45 19.84 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N -1.00 0.68 0.00 0.00 3.04 -1.94 -3.47 116.42 113.74 2k0f h ASP 54 Ca -0.27 -0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.42 2k0f h ASP 54 Cb 1.10 -0.18 0.00 0.00 -1.04 0.00 0.00 39.33 39.21 2k0f h ASP 54 CO -0.17 0.65 0.00 0.61 -2.04 0.00 0.00 179.24 178.29 2k0f n GLY 55 N -1.00 1.15 0.22 7.15 0.00 -1.26 -5.00 105.19 106.45 2k0f n GLY 55 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.94 -3.47 115.58 118.86 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 0.26 0.00 0.61 -2.08 0.00 0.00 177.43 176.22 2k0f n GLY 57 N -0.37 0.82 3.25 9.14 0.00 -1.26 -5.11 105.19 111.66 2k0f n GLY 57 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.10 1.42 -0.22 2.61 -4.23 -1.26 -4.79 115.64 107.06 2k0f s THR 58 Ca 0.00 -1.63 -0.29 0.00 -1.18 0.00 0.00 61.69 58.59 2k0f s THR 58 Cb 0.00 -1.48 -0.01 0.00 1.34 0.00 0.00 72.50 72.35 2k0f s THR 58 CO 0.00 -0.30 1.34 -0.63 -0.54 0.00 0.00 174.62 174.49 2k0f s ILE 59 N -1.77 4.13 0.42 2.99 1.01 -1.09 -4.79 121.20 122.09 2k0f s ILE 59 Ca 0.07 1.32 0.00 0.00 0.00 0.00 0.00 60.65 62.04 2k0f s ILE 59 Cb -0.07 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 2k0f s ILE 59 CO 0.04 -0.29 0.64 -1.81 0.00 0.00 0.00 174.94 173.51 2k0f s ASP 60 N 2.63 6.00 0.16 3.58 1.11 -1.26 -0.51 116.67 128.39 2k0f s ASP 60 Ca 0.58 0.37 -0.21 0.00 0.18 0.00 0.00 52.55 53.47 2k0f s ASP 60 Cb -0.20 -1.73 0.07 0.00 1.07 0.00 0.00 42.92 42.13 2k0f s ASP 60 CO 0.20 -0.56 1.63 0.15 1.18 0.00 0.00 175.17 177.77 2k0f h PHE 61 N 0.51 -0.59 0.00 4.23 3.57 -1.98 -2.40 116.94 120.27 2k0f h PHE 61 Ca -0.47 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2k0f h PHE 61 Cb 1.24 0.31 0.00 0.00 2.79 0.00 0.00 35.95 40.29 2k0f h PHE 61 CO 0.48 -0.30 0.00 -0.35 -2.23 0.00 0.00 178.31 175.90 2k0f n PRO 62 N -5.38 0.17 0.08 6.41 -0.04 -1.26 -1.60 135.00 133.38 2k0f n PRO 62 Ca 0.01 0.53 -0.20 0.00 -0.04 0.00 0.00 63.50 63.80 2k0f n PRO 62 Cb 0.30 -1.92 -0.15 0.00 -0.04 0.00 0.00 33.50 31.69 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 0.34 0.03 0.54 5.08 -1.78 -3.08 114.58 115.70 2k0f h GLU 63 Ca 0.00 -0.57 -0.00 0.00 -1.00 0.00 0.00 59.36 57.78 2k0f h GLU 63 Cb 0.20 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2k0f h GLU 63 CO 0.00 1.23 -0.01 0.35 -1.00 0.00 0.00 179.01 179.57 2k0f h PHE 64 N 0.09 -0.04 -0.73 4.33 3.57 -1.21 -3.23 116.94 119.72 2k0f h PHE 64 Ca -0.28 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.33 2k0f h PHE 64 Cb 2.06 0.01 -0.12 0.00 2.79 0.00 0.00 35.95 40.69 2k0f h PHE 64 CO 0.08 0.52 -0.43 1.25 -2.23 0.00 0.00 178.31 177.50 2k0f h LEU 65 N -0.63 -1.53 -0.03 0.59 5.85 -1.43 -2.60 115.31 115.52 2k0f h LEU 65 Ca -0.00 0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2k0f h LEU 65 Cb 0.58 0.72 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2k0f h LEU 65 CO 0.01 -0.31 0.00 0.35 -0.34 0.00 0.00 178.44 178.15 2k0f n THR 66 N -5.41 0.01 -0.03 1.05 -2.24 -1.16 -0.75 114.28 105.75 2k0f n THR 66 Ca 0.04 -0.01 -0.20 0.00 -2.27 0.00 0.00 64.05 61.61 2k0f n THR 66 Cb 0.35 -0.03 -0.14 0.00 -2.10 0.00 0.00 70.33 68.42 2k0f n THR 66 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2k0f n MET 67 N -0.51 0.73 -0.01 -0.78 0.00 -0.99 -3.93 117.12 111.63 2k0f n MET 67 Ca 0.02 0.23 -0.22 0.00 -0.00 0.00 0.00 57.70 57.74 2k0f n MET 67 Cb 0.02 -1.67 -0.14 0.00 0.00 0.00 0.00 33.22 31.43 2k0f n MET 67 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 2k0f n MET 68 N -3.40 0.73 0.29 2.12 2.00 -0.35 -3.95 117.12 114.56 2k0f n MET 68 Ca -0.34 0.32 0.15 0.00 0.00 0.00 0.00 57.70 57.82 2k0f n MET 68 Cb 1.04 -1.72 0.90 0.00 0.00 0.00 0.00 33.22 33.44 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k0f h ALA 69 N -0.02 1.57 -2.81 3.04 0.00 -1.18 -3.43 119.26 116.42 2k0f h ALA 69 Ca -0.41 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 53.97 2k0f h ALA 69 Cb 1.91 0.00 0.07 0.00 0.00 0.00 0.00 17.79 19.77 2k0f h ALA 69 CO 0.04 -0.02 0.75 0.50 0.00 0.00 0.00 179.25 180.52 2k0f s ARG 70 N -4.65 4.25 -0.22 0.00 3.52 -1.25 -4.99 118.95 115.60 2k0f s ARG 70 Ca -0.05 2.35 -0.16 0.00 -0.13 0.00 0.00 55.73 57.74 2k0f s ARG 70 Cb 0.15 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.43 2k0f s ARG 70 CO 0.55 -0.41 0.41 0.21 -0.81 0.00 0.00 175.30 175.25 2k0f s LYS 71 N -0.94 4.13 0.52 5.12 2.36 -1.26 -4.99 119.74 124.68 2k0f s LYS 71 Ca 0.57 0.19 -0.04 0.00 -2.55 0.00 0.00 55.97 54.13 2k0f s LYS 71 Cb -0.43 -3.57 -0.01 0.00 -1.05 0.00 0.00 37.83 32.77 2k0f s LYS 71 CO 0.49 -0.12 0.81 -1.64 1.55 0.00 0.00 175.35 176.43 2k0f s MET 72 N 1.57 3.11 0.91 4.03 -1.94 -1.26 -5.11 119.30 120.62 2k0f s MET 72 Ca 0.19 -0.09 -0.11 0.00 -1.71 0.00 0.00 55.69 53.97 2k0f s MET 72 Cb -0.15 -2.38 0.14 0.00 2.01 0.00 0.00 34.83 34.45 2k0f s MET 72 CO 0.08 -0.45 1.12 0.15 -0.01 0.00 0.00 175.02 175.91 2k0f s LYS 73 N -4.80 1.06 0.43 2.03 1.02 -1.26 -4.75 119.74 113.46 2k0f s LYS 73 Ca 0.51 1.32 0.26 0.00 0.02 0.00 0.00 55.97 58.07 2k0f s LYS 73 Cb -0.10 -1.75 1.42 0.00 -0.52 0.00 0.00 37.83 36.87 2k0f s LYS 73 CO 0.43 -2.52 1.78 -0.44 -0.92 0.00 0.00 175.35 173.67 2k0f h ASP 74 N -1.78 0.00 0.00 2.83 3.32 -1.99 -0.50 116.42 118.30 2k0f h ASP 74 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2k0f h ASP 74 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2k0f h ASP 74 CO 0.46 0.00 -0.60 0.35 -1.72 0.00 0.00 179.24 177.73 2k0f n THR 75 N -2.46 1.07 -0.22 0.35 -2.24 -1.26 -3.76 114.28 105.77 2k0f n THR 75 Ca -0.02 0.26 0.09 0.00 -2.27 0.00 0.00 64.05 62.11 2k0f n THR 75 Cb 0.12 -2.13 0.37 0.00 -2.10 0.00 0.00 70.33 66.59 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 -0.73 0.65 0.37 3.42 3.32 -1.93 -1.93 116.42 119.59 2k0f h ASP 76 Ca 0.00 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 2k0f h ASP 76 Cb 0.60 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 2k0f h ASP 76 CO 0.00 0.38 -0.38 0.28 -1.72 0.00 0.00 179.24 177.80 2k0f h SER 77 N 0.72 0.01 0.01 6.45 0.02 -1.29 -1.77 113.55 117.70 2k0f h SER 77 Ca 0.38 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.29 2k0f h SER 77 Cb 0.49 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2k0f h SER 77 CO -0.15 0.39 -0.10 -0.08 -1.14 0.00 0.00 176.83 175.75 2k0f h GLU 78 N 0.01 0.06 0.00 3.45 4.57 -1.47 -3.30 114.58 117.91 2k0f h GLU 78 Ca -0.00 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 2k0f h GLU 78 Cb 0.67 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.28 2k0f h GLU 78 CO 0.05 0.91 -0.14 0.93 -1.18 0.00 0.00 179.01 179.58 2k0f h GLU 79 N -0.77 0.00 0.22 1.92 5.08 -1.41 -3.00 114.58 116.63 2k0f h GLU 79 Ca -0.02 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2k0f h GLU 79 Cb 0.95 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2k0f h GLU 79 CO 0.02 0.14 -0.27 1.49 -1.00 0.00 0.00 179.01 179.40 2k0f h GLU 80 N 0.00 -0.52 0.00 2.33 4.81 -1.39 -0.86 114.58 118.95 2k0f h GLU 80 Ca -0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 80 Cb 0.36 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2k0f h GLU 80 CO 0.02 -0.35 -0.01 1.51 -0.73 0.00 0.00 179.01 179.45 2k0f n ILE 81 N -5.39 0.48 -0.06 2.32 3.06 -1.22 -3.31 119.36 115.24 2k0f n ILE 81 Ca -0.08 -0.23 -0.15 0.00 -2.50 0.00 0.00 62.75 59.78 2k0f n ILE 81 Cb 0.29 -0.56 -0.13 0.00 0.54 0.00 0.00 39.64 39.78 2k0f n ILE 81 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 2k0f h ARG 82 N 0.00 0.04 -0.80 9.51 2.43 -1.28 -2.80 114.38 121.48 2k0f h ARG 82 Ca 0.00 -0.07 0.10 0.00 -0.81 0.00 0.00 59.98 59.20 2k0f h ARG 82 Cb 0.69 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.21 2k0f h ARG 82 CO 0.00 1.03 0.52 0.93 -1.51 0.00 0.00 179.97 180.95 2k0f h GLU 83 N -0.91 0.70 -0.33 0.20 4.39 -1.32 -3.09 114.58 114.21 2k0f h GLU 83 Ca -0.05 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 2k0f h GLU 83 Cb 1.12 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 2k0f h GLU 83 CO 0.01 0.46 0.05 0.00 -1.16 0.00 0.00 179.01 178.37 2k0f h ALA 84 N 1.60 0.44 -0.69 3.43 0.00 -1.58 -3.02 119.26 119.43 2k0f h ALA 84 Ca 0.37 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.23 2k0f h ALA 84 Cb 0.47 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.02 2k0f h ALA 84 CO -0.14 0.15 0.05 0.35 0.00 0.00 0.00 179.25 179.65 2k0f h PHE 85 N 0.38 0.04 -0.32 0.00 3.57 -1.44 -2.34 116.94 116.82 2k0f h PHE 85 Ca 0.10 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.74 2k0f h PHE 85 Cb 0.36 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 2k0f h PHE 85 CO 0.02 -0.17 0.31 0.00 -2.23 0.00 0.00 178.31 176.24 2k0f h ARG 86 N 0.15 0.00 0.13 1.11 3.08 -1.45 -1.47 114.38 115.93 2k0f h ARG 86 Ca 0.37 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.18 2k0f h ARG 86 Cb 0.64 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.69 2k0f h ARG 86 CO -0.57 0.00 -1.19 0.28 -1.07 0.00 0.00 179.97 177.43 2k0f h VAL 87 N 0.00 1.22 -0.68 2.04 2.07 -1.43 -3.37 116.25 116.10 2k0f h VAL 87 Ca 0.15 -2.46 -0.02 0.00 0.82 0.00 0.00 66.70 65.20 2k0f h VAL 87 Cb 0.77 2.90 -0.03 0.00 -1.52 0.00 0.00 31.29 33.41 2k0f h VAL 87 CO -0.00 0.71 0.35 -0.26 0.02 0.00 0.00 177.57 178.39 2k0f h PHE 88 N -0.33 0.95 -3.05 1.57 -1.00 -0.98 -3.38 116.94 110.71 2k0f h PHE 88 Ca -0.24 -0.03 -0.63 0.00 2.81 0.00 0.00 57.97 59.87 2k0f h PHE 88 Cb 1.72 -0.30 -0.14 0.00 3.61 0.00 0.00 35.95 40.84 2k0f h PHE 88 CO 0.15 0.69 0.43 0.34 -1.61 0.00 0.00 178.31 178.31 2k0f s ASP 89 N -6.03 6.26 0.03 2.17 2.15 -0.69 -4.33 116.67 116.24 2k0f s ASP 89 Ca -0.13 -0.69 -0.21 0.00 0.43 0.00 0.00 52.55 51.96 2k0f s ASP 89 Cb 0.14 -2.39 -0.15 0.00 -0.30 0.00 0.00 42.92 40.22 2k0f s ASP 89 CO 0.79 -1.21 1.34 0.50 -0.17 0.00 0.00 175.17 176.42 2k0f h LYS 90 N 9.31 0.32 0.66 4.34 3.64 -1.83 -3.32 116.57 129.69 2k0f h LYS 90 Ca -0.27 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 58.91 2k0f h LYS 90 Cb 1.08 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2k0f h LYS 90 CO 1.09 0.71 -0.32 0.38 -2.27 0.00 0.00 179.45 179.04 2k0f h ASP 91 N -0.06 -0.75 0.00 4.20 3.04 -1.93 -3.49 116.42 117.43 2k0f h ASP 91 Ca 0.02 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 2k0f h ASP 91 Cb 0.65 0.19 0.00 0.00 -1.04 0.00 0.00 39.33 39.14 2k0f h ASP 91 CO 0.03 -0.43 0.00 0.61 -2.04 0.00 0.00 179.24 177.42 2k0f n GLY 92 N -0.93 1.21 0.00 7.15 0.00 -1.25 -5.06 105.19 106.31 2k0f n GLY 92 Ca -0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.00 1.61 6.94 -1.26 -4.81 115.26 117.74 2k0f n ASN 93 Ca 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 54.58 53.89 2k0f n ASN 93 Cb 0.00 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 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 0.89 0.88 2.91 4.83 0.00 -1.26 -5.06 105.19 108.37 2k0f n GLY 94 Ca 0.19 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.21 -0.42 1.61 2.02 -1.26 -3.98 117.35 113.11 2k0f s TYR 95 Ca 0.00 0.62 -0.18 0.00 -0.37 0.00 0.00 57.07 57.14 2k0f s TYR 95 Cb 0.00 -0.14 0.02 0.00 -0.40 0.00 0.00 41.96 41.44 2k0f s TYR 95 CO 0.00 -0.24 0.46 0.42 -1.57 0.00 0.00 175.55 174.62 2k0f s ILE 96 N 1.78 5.06 0.47 2.71 1.01 0.37 -4.82 121.20 127.77 2k0f s ILE 96 Ca -0.03 -0.25 0.08 0.00 0.00 0.00 0.00 60.65 60.45 2k0f s ILE 96 Cb -0.12 -4.05 0.03 0.00 0.01 0.00 0.00 42.46 38.34 2k0f s ILE 96 CO -0.06 -0.42 0.62 -0.94 0.00 0.00 0.00 174.94 174.13 2k0f s SER 97 N 1.83 5.45 0.34 3.58 1.04 -1.26 -1.49 113.70 123.19 2k0f s SER 97 Ca 0.13 -0.57 0.09 0.00 0.48 0.00 0.00 55.95 56.08 2k0f s SER 97 Cb -0.17 -0.37 0.83 0.00 0.10 0.00 0.00 66.02 66.42 2k0f s SER 97 CO 0.14 -0.92 1.80 0.00 0.98 0.00 0.00 173.24 175.24 2k0f h ALA 98 N 0.53 1.83 -0.00 5.32 0.00 -1.93 -1.40 119.26 123.61 2k0f h ALA 98 Ca -0.37 0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.36 2k0f h ALA 98 Cb 1.28 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.00 2k0f h ALA 98 CO 0.45 -0.17 -0.96 0.00 0.00 0.00 0.00 179.25 178.57 2k0f h ALA 99 N 1.62 0.32 -0.20 0.00 0.00 -1.97 -0.69 119.26 118.35 2k0f h ALA 99 Ca 0.54 -0.70 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2k0f h ALA 99 Cb 0.96 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2k0f h ALA 99 CO -0.31 0.79 -0.02 0.93 0.00 0.00 0.00 179.25 180.64 2k0f h GLU 100 N 0.27 0.36 -0.48 0.00 5.08 -1.71 -1.82 114.58 116.28 2k0f h GLU 100 Ca -0.09 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.19 2k0f h GLU 100 Cb 1.59 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.77 2k0f h GLU 100 CO 0.17 0.58 0.23 1.25 -1.00 0.00 0.00 179.01 180.25 2k0f h LEU 101 N 0.10 0.33 -1.96 1.33 5.85 -1.27 -1.99 115.31 117.71 2k0f h LEU 101 Ca 0.05 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2k0f h LEU 101 Cb 0.43 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2k0f h LEU 101 CO 0.01 0.23 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.15 2k0f h ARG 102 N 0.46 0.00 0.13 1.25 2.43 -0.87 -2.86 114.38 114.92 2k0f h ARG 102 Ca 0.21 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.14 2k0f h ARG 102 Cb 0.13 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.70 2k0f h ARG 102 CO -0.15 0.11 -1.04 1.25 -1.51 0.00 0.00 179.97 178.62 2k0f h HIS 103 N 0.00 0.80 0.00 2.20 2.76 -0.56 -1.66 115.15 118.70 2k0f h HIS 103 Ca -0.00 -0.53 -0.08 0.00 -2.20 0.00 0.00 60.37 57.56 2k0f h HIS 103 Cb 0.31 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 2k0f h HIS 103 CO 0.00 1.38 -0.40 -0.24 -1.30 0.00 0.00 177.93 177.37 2k0f h VAL 104 N -0.00 0.80 0.60 5.26 3.04 -1.53 0.80 116.25 125.21 2k0f h VAL 104 Ca -0.17 -1.78 -0.02 0.00 -1.01 0.00 0.00 66.70 63.72 2k0f h VAL 104 Cb 1.77 2.14 -0.01 0.00 -2.01 0.00 0.00 31.29 33.18 2k0f h VAL 104 CO 0.20 0.40 -0.39 -0.03 -1.01 0.00 0.00 177.57 176.73 2k0f h MET 105 N 0.00 -0.91 -0.36 4.17 -1.53 -1.53 -2.26 114.93 112.51 2k0f h MET 105 Ca -0.00 0.06 0.07 0.00 -3.44 0.00 0.00 59.70 56.38 2k0f h MET 105 Cb 1.11 0.21 -0.06 0.00 -0.55 0.00 0.00 31.60 32.31 2k0f h MET 105 CO 0.05 -0.61 -0.03 1.15 0.14 0.00 0.00 176.91 177.62 2k0f h THR 106 N -0.95 0.71 -0.15 -0.77 2.02 -1.23 0.17 112.91 112.71 2k0f h THR 106 Ca -0.07 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 2k0f h THR 106 Cb 0.78 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2k0f h THR 106 CO 0.06 0.01 -0.04 0.78 0.37 0.00 0.00 175.52 176.70 2k0f h ASN 107 N 0.07 0.30 -0.05 4.18 2.35 -0.83 -2.89 115.58 118.71 2k0f h ASN 107 Ca 0.17 -0.37 -0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2k0f h ASN 107 Cb 0.25 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 2k0f h ASN 107 CO -0.31 0.61 0.03 -0.07 -1.65 0.00 0.00 177.43 176.03 2k0f h LEU 108 N -0.00 0.07 0.00 1.61 3.38 -1.50 -3.43 115.31 115.44 2k0f h LEU 108 Ca 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2k0f h LEU 108 Cb 0.48 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2k0f h LEU 108 CO 0.02 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.32 2k0f n GLY 109 N -0.79 0.00 3.62 0.83 0.00 -0.97 -4.74 105.19 103.15 2k0f n GLY 109 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 2.15 0.34 1.61 0.41 0.57 -4.97 118.70 118.81 2k0f s GLU 110 Ca 0.00 -1.56 -0.14 0.00 -0.41 0.00 0.00 54.97 52.86 2k0f s GLU 110 Cb 0.00 -2.05 -0.08 0.00 -1.78 0.00 0.00 34.13 30.22 2k0f s GLU 110 CO 0.00 0.28 0.74 0.15 -0.49 0.00 0.00 175.26 175.94 2k0f s LYS 111 N -3.67 3.94 -0.20 1.61 1.02 -1.26 -3.90 119.74 117.27 2k0f s LYS 111 Ca 0.33 0.61 -0.10 0.00 0.02 0.00 0.00 55.97 56.83 2k0f s LYS 111 Cb -0.04 -2.43 0.08 0.00 -0.52 0.00 0.00 37.83 34.91 2k0f s LYS 111 CO 0.19 0.12 0.47 -1.17 -0.92 0.00 0.00 175.35 174.04 2k0f s LEU 112 N -3.19 -0.45 0.33 3.17 2.96 -1.26 -5.01 118.68 115.23 2k0f s LEU 112 Ca 0.53 1.06 -0.05 0.00 -0.22 0.00 0.00 54.13 55.45 2k0f s LEU 112 Cb -0.10 1.57 -0.05 0.00 0.50 0.00 0.00 46.19 48.11 2k0f s LEU 112 CO 0.21 -0.21 0.61 0.42 -1.32 0.00 0.00 176.35 176.06 2k0f s THR 113 N 1.88 4.98 0.50 3.68 -4.23 -1.26 -4.99 115.64 116.20 2k0f s THR 113 Ca -0.07 0.13 0.33 0.00 -1.18 0.00 0.00 61.69 60.90 2k0f s THR 113 Cb -0.09 -3.76 0.36 0.00 1.34 0.00 0.00 72.50 70.35 2k0f s THR 113 CO -0.14 -0.43 2.20 0.44 -0.54 0.00 0.00 174.62 176.15 2k0f h ASP 114 N 1.39 0.00 -0.25 3.99 5.19 -2.02 0.09 116.42 124.82 2k0f h ASP 114 Ca -0.48 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 55.76 2k0f h ASP 114 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 2k0f h ASP 114 CO 0.65 0.04 -0.53 -0.33 -3.12 0.00 0.00 179.24 175.95 2k0f h GLU 115 N 0.00 0.79 -0.23 3.56 5.08 -2.01 -2.94 114.58 118.83 2k0f h GLU 115 Ca -0.00 -0.52 -0.12 0.00 -1.00 0.00 0.00 59.36 57.72 2k0f h GLU 115 Cb 0.17 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2k0f h GLU 115 CO 0.01 1.15 -0.31 0.93 -1.00 0.00 0.00 179.01 179.79 2k0f h GLU 116 N 0.54 0.61 0.00 2.33 5.08 -1.78 -3.19 114.58 118.18 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 1.14 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2k0f h GLU 116 CO 0.12 0.96 -0.07 -0.24 -1.00 0.00 0.00 179.01 178.78 2k0f h VAL 117 N 0.31 0.51 -0.13 3.13 3.04 -1.08 0.30 116.25 122.33 2k0f h VAL 117 Ca 0.03 -0.31 -0.03 0.00 -1.01 0.00 0.00 66.70 65.37 2k0f h VAL 117 Cb 0.89 1.21 -0.00 0.00 -2.01 0.00 0.00 31.29 31.37 2k0f h VAL 117 CO 0.07 0.07 -0.05 -0.78 -1.01 0.00 0.00 177.57 175.87 2k0f h ASP 118 N 0.00 0.26 -0.49 3.17 3.58 -1.59 -3.06 116.42 118.29 2k0f h ASP 118 Ca -0.00 -0.40 -0.03 0.00 0.42 0.00 0.00 57.03 57.02 2k0f h ASP 118 Cb 0.20 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 2k0f h ASP 118 CO 0.01 0.60 0.20 -0.33 -2.88 0.00 0.00 179.24 176.84 2k0f h GLU 119 N -0.07 0.73 -0.44 0.28 5.08 -1.09 -2.43 114.58 116.63 2k0f h GLU 119 Ca 0.03 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.16 2k0f h GLU 119 Cb 0.50 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2k0f h GLU 119 CO 0.02 0.65 -0.12 0.52 -1.00 0.00 0.00 179.01 179.07 2k0f h MET 120 N 0.65 0.80 -0.48 2.33 2.86 -0.57 -2.57 114.93 117.93 2k0f h MET 120 Ca 0.16 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 2k0f h MET 120 Cb 0.19 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 2k0f h MET 120 CO -0.01 0.88 0.17 0.82 1.06 0.00 0.00 176.91 179.83 2k0f h ILE 121 N 0.72 1.22 0.00 -1.22 1.08 -1.41 -3.31 117.51 114.59 2k0f h ILE 121 Ca 0.12 -0.71 0.00 0.00 -0.39 0.00 0.00 64.86 63.88 2k0f h ILE 121 Cb 0.61 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 2k0f h ILE 121 CO 0.04 0.26 -0.00 0.03 -0.69 0.00 0.00 178.15 177.79 2k0f h ARG 122 N 0.64 0.00 -0.02 2.37 3.08 -1.23 -1.18 114.38 118.04 2k0f h ARG 122 Ca 0.16 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.04 2k0f h ARG 122 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2k0f h ARG 122 CO -0.01 0.00 -0.75 1.05 -1.07 0.00 0.00 179.97 179.19 2k0f h GLU 123 N 0.00 0.14 0.14 0.04 4.11 -1.59 -3.31 114.58 114.11 2k0f h GLU 123 Ca 0.00 -0.13 -0.30 0.00 0.07 0.00 0.00 59.36 59.00 2k0f h GLU 123 Cb 0.96 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2k0f h GLU 123 CO 0.00 0.82 -1.46 0.00 0.07 0.00 0.00 179.01 178.45 2k0f h ALA 124 N 1.14 0.15 -2.15 1.06 0.00 -1.51 -3.46 119.26 114.49 2k0f h ALA 124 Ca -0.02 -1.01 -0.58 0.00 0.00 0.00 0.00 54.91 53.30 2k0f h ALA 124 Cb 1.32 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 2k0f h ALA 124 CO 0.11 1.02 0.69 0.34 0.00 0.00 0.00 179.25 181.41 2k0f s ASP 125 N -7.14 7.08 -0.06 0.00 2.15 -0.50 -4.81 116.67 113.40 2k0f s ASP 125 Ca -0.08 1.34 0.02 0.00 0.43 0.00 0.00 52.55 54.27 2k0f s ASP 125 Cb 0.06 -2.52 -0.25 0.00 -0.30 0.00 0.00 42.92 39.91 2k0f s ASP 125 CO 0.88 -0.60 0.62 0.40 -0.17 0.00 0.00 175.17 176.30 2k0f h ILE 126 N 5.38 0.86 0.00 4.11 2.04 -1.88 -3.44 117.51 124.56 2k0f h ILE 126 Ca -0.22 -2.61 0.00 0.00 1.00 0.00 0.00 64.86 63.02 2k0f h ILE 126 Cb 1.08 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.70 2k0f h ILE 126 CO 0.94 0.71 -0.16 -2.24 0.00 0.00 0.00 178.15 177.40 2k0f h ASP 127 N 0.04 0.00 0.00 1.72 3.04 -1.96 -3.50 116.42 115.76 2k0f h ASP 127 Ca -0.32 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.47 2k0f h ASP 127 Cb 2.02 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.31 2k0f h ASP 127 CO 0.10 0.24 0.00 0.61 -2.04 0.00 0.00 179.24 178.15 2k0f n GLY 128 N 1.72 -0.04 0.14 7.15 0.00 -1.26 -5.06 105.19 107.83 2k0f n GLY 128 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 0.47 0.00 1.61 3.04 -1.96 -3.48 116.42 116.11 2k0f h ASP 129 Ca 0.00 -0.92 0.00 0.00 -3.24 0.00 0.00 57.03 52.87 2k0f h ASP 129 Cb 0.00 -0.15 0.00 0.00 -1.04 0.00 0.00 39.33 38.14 2k0f h ASP 129 CO 0.00 1.79 0.00 0.61 -2.04 0.00 0.00 179.24 179.60 2k0f n GLY 130 N 1.89 0.65 3.36 7.15 0.00 -1.26 -5.06 105.19 111.93 2k0f n GLY 130 Ca -0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.67 2.93 -0.17 1.61 -1.52 -1.26 -4.59 119.66 116.00 2k0f s GLN 131 Ca 0.00 -0.99 -0.22 0.00 -1.95 0.00 0.00 55.36 52.19 2k0f s GLN 131 Cb 0.00 -3.59 -0.02 0.00 -0.22 0.00 0.00 33.01 29.18 2k0f s GLN 131 CO 0.00 -0.60 0.70 0.08 -0.25 0.00 0.00 175.29 175.22 2k0f s VAL 132 N 1.53 4.99 0.41 1.09 1.01 -0.55 -4.79 120.40 124.09 2k0f s VAL 132 Ca 0.02 1.36 0.01 0.00 0.00 0.00 0.00 61.98 63.36 2k0f s VAL 132 Cb -0.18 -4.01 0.08 0.00 0.00 0.00 0.00 36.38 32.26 2k0f s VAL 132 CO 0.05 0.11 0.57 -0.46 0.00 0.00 0.00 175.10 175.37 2k0f n ASN 133 N 4.86 0.84 -0.09 3.32 0.23 -1.26 -0.47 115.26 122.68 2k0f n ASN 133 Ca 0.00 -1.69 -0.07 0.00 -0.53 0.00 0.00 54.58 52.30 2k0f n ASN 133 Cb 0.50 -0.36 0.01 0.00 -2.08 0.00 0.00 39.78 37.84 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 -0.44 0.09 -0.03 -2.53 3.20 -1.97 -1.34 116.97 113.95 2k0f h TYR 134 Ca -0.19 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.62 2k0f h TYR 134 Cb 0.71 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 2k0f h TYR 134 CO 0.00 0.01 -0.38 0.93 -1.64 0.00 0.00 178.16 177.07 2k0f h GLU 135 N 0.16 0.06 -0.25 1.82 5.08 -1.95 -0.11 114.58 119.39 2k0f h GLU 135 Ca 0.15 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 135 Cb 0.17 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2k0f h GLU 135 CO -0.20 0.44 -0.30 0.93 -1.00 0.00 0.00 179.01 178.87 2k0f h GLU 136 N 0.05 0.65 -0.56 2.33 5.08 -1.88 -2.83 114.58 117.42 2k0f h GLU 136 Ca 0.00 -0.36 0.07 0.00 -1.00 0.00 0.00 59.36 58.07 2k0f h GLU 136 Cb 0.70 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 2k0f h GLU 136 CO 0.05 0.97 0.24 0.35 -1.00 0.00 0.00 179.01 179.62 2k0f h PHE 137 N 0.37 0.42 -0.06 4.33 3.57 -0.72 0.24 116.94 125.09 2k0f h PHE 137 Ca 0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2k0f h PHE 137 Cb 0.88 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 2k0f h PHE 137 CO 0.08 0.16 -0.05 0.28 -2.23 0.00 0.00 178.31 176.54 2k0f h VAL 138 N 0.44 1.36 -0.82 1.41 2.07 -1.05 0.11 116.25 119.78 2k0f h VAL 138 Ca 0.27 -1.17 0.15 0.00 0.82 0.00 0.00 66.70 66.76 2k0f h VAL 138 Cb 0.26 2.02 -0.09 0.00 -1.52 0.00 0.00 31.29 31.96 2k0f h VAL 138 CO -0.24 0.32 0.40 1.56 0.02 0.00 0.00 177.57 179.63 2k0f h GLN 139 N -0.30 0.55 -0.04 1.57 1.08 -1.49 -0.06 115.11 116.43 2k0f h GLN 139 Ca 0.01 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 2k0f h GLN 139 Cb 0.54 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2k0f h GLN 139 CO 0.01 0.37 -0.10 1.98 -0.95 0.00 0.00 178.83 180.14 2k0f h MET 140 N 0.57 0.13 0.02 1.46 4.05 -0.86 -3.35 114.93 116.95 2k0f h MET 140 Ca 0.45 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 59.78 2k0f h MET 140 Cb 0.65 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.46 2k0f h MET 140 CO -0.37 0.70 -0.01 0.52 0.23 0.00 0.00 176.91 177.98 2k0f h MET 141 N -0.42 -0.03 0.00 0.39 2.86 -0.75 -3.51 114.93 113.48 2k0f h MET 141 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k0f h MET 141 Cb 0.71 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.38 2k0f h MET 141 CO 0.02 0.07 0.00 2.41 1.06 0.00 0.00 176.91 180.47