#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 0.11 -0.05 -0.78 4.39 -2.04 -2.02 114.58 114.18 2k0f h GLU 2 Ca 0.00 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 2k0f h GLU 2 Cb 0.00 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2k0f h GLU 2 CO 0.00 0.07 -0.39 0.93 -1.16 0.00 0.00 179.01 178.46 2k0f h GLU 3 N 0.11 0.36 -0.88 2.33 3.07 -2.04 -0.76 114.58 116.76 2k0f h GLU 3 Ca 0.55 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 59.09 2k0f h GLU 3 Cb 1.11 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 29.05 2k0f h GLU 3 CO -0.75 0.97 0.52 1.96 -1.40 0.00 0.00 179.01 180.31 2k0f h GLN 4 N -0.15 1.20 0.00 2.33 4.20 -1.81 0.61 115.11 121.49 2k0f h GLN 4 Ca -0.03 -0.11 -0.15 0.00 0.06 0.00 0.00 58.65 58.42 2k0f h GLN 4 Cb 1.07 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 2k0f h GLN 4 CO 0.08 0.85 -0.76 0.97 -0.67 0.00 0.00 178.83 179.30 2k0f h ILE 5 N 1.22 1.07 0.08 2.54 2.10 -1.45 -0.67 117.51 122.40 2k0f h ILE 5 Ca 0.31 -2.55 -0.00 0.00 1.08 0.00 0.00 64.86 63.70 2k0f h ILE 5 Cb -0.03 2.51 0.00 0.00 -1.09 0.00 0.00 36.82 38.21 2k0f h ILE 5 CO -0.06 0.61 -0.04 0.00 -1.08 0.00 0.00 178.15 177.58 2k0f h ALA 6 N 1.34 -0.11 -0.40 0.18 0.00 -1.02 -2.01 119.26 117.23 2k0f h ALA 6 Ca -0.03 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2k0f h ALA 6 Cb 1.53 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 2k0f h ALA 6 CO 0.08 -0.56 0.22 1.49 0.00 0.00 0.00 179.25 180.48 2k0f h GLU 7 N -0.13 0.42 0.14 0.00 4.81 -0.77 -0.20 114.58 118.86 2k0f h GLU 7 Ca -0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2k0f h GLU 7 Cb 0.10 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2k0f h GLU 7 CO 0.02 0.28 -0.07 0.35 -0.73 0.00 0.00 179.01 178.86 2k0f h PHE 8 N 0.44 -0.18 -0.39 0.92 3.04 -1.12 -2.19 116.94 117.45 2k0f h PHE 8 Ca 0.17 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.06 2k0f h PHE 8 Cb 0.05 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 2k0f h PHE 8 CO -0.09 -0.04 0.03 -0.22 -2.02 0.00 0.00 178.31 175.97 2k0f h LYS 9 N -0.28 0.68 -0.27 1.11 3.11 -0.76 -1.72 116.57 118.44 2k0f h LYS 9 Ca -0.02 -0.20 -0.03 0.00 -2.81 0.00 0.00 60.65 57.59 2k0f h LYS 9 Cb 0.22 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.37 2k0f h LYS 9 CO 0.03 0.75 0.07 0.93 -2.81 0.00 0.00 179.45 178.43 2k0f h GLU 10 N 0.51 0.43 -0.63 1.90 4.39 -1.10 -0.42 114.58 119.65 2k0f h GLU 10 Ca 0.11 -0.10 0.07 0.00 0.34 0.00 0.00 59.36 59.79 2k0f h GLU 10 Cb 0.43 -0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 28.92 2k0f h GLU 10 CO 0.01 0.52 -0.53 0.00 -1.16 0.00 0.00 179.01 177.85 2k0f h ALA 11 N 0.90 -0.58 -0.04 3.43 0.00 -1.30 -2.74 119.26 118.92 2k0f h ALA 11 Ca 0.09 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2k0f h ALA 11 Cb 0.27 1.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2k0f h ALA 11 CO -0.00 -0.96 0.01 0.35 0.00 0.00 0.00 179.25 178.64 2k0f h PHE 12 N -0.23 0.07 -0.60 0.00 3.04 -0.97 -2.94 116.94 115.31 2k0f h PHE 12 Ca 0.13 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.19 2k0f h PHE 12 Cb 0.54 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.99 2k0f h PHE 12 CO -0.81 0.29 0.41 0.66 -2.02 0.00 0.00 178.31 176.83 2k0f h SER 13 N -0.16 0.29 -0.11 0.41 4.64 -1.18 0.38 113.55 117.82 2k0f h SER 13 Ca 0.01 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2k0f h SER 13 Cb 0.25 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2k0f h SER 13 CO 0.00 0.17 0.07 0.25 -0.87 0.00 0.00 176.83 176.45 2k0f h LEU 14 N 0.32 0.13 0.16 5.97 5.85 -1.31 -3.39 115.31 123.03 2k0f h LEU 14 Ca 0.28 -0.01 -0.26 0.00 0.84 0.00 0.00 57.88 58.73 2k0f h LEU 14 Cb 0.68 -0.03 0.02 0.00 0.37 0.00 0.00 40.66 41.69 2k0f h LEU 14 CO -0.07 0.10 -1.22 -0.26 -0.34 0.00 0.00 178.44 176.65 2k0f h PHE 15 N 0.14 0.63 -3.12 1.25 0.04 -1.08 -3.44 116.94 111.36 2k0f h PHE 15 Ca 0.04 -0.46 -0.57 0.00 2.80 0.00 0.00 57.97 59.78 2k0f h PHE 15 Cb -0.01 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.07 2k0f h PHE 15 CO -0.07 1.47 1.09 0.34 -0.60 0.00 0.00 178.31 180.55 2k0f s ASP 16 N -7.15 6.32 0.29 2.17 2.15 0.01 -4.60 116.67 115.85 2k0f s ASP 16 Ca -0.15 1.02 -0.01 0.00 0.43 0.00 0.00 52.55 53.84 2k0f s ASP 16 Cb 0.03 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.55 2k0f s ASP 16 CO 0.84 -1.41 1.91 0.50 -0.17 0.00 0.00 175.17 176.84 2k0f h LYS 17 N 10.85 0.96 0.00 4.34 1.63 -1.89 -3.38 116.57 129.09 2k0f h LYS 17 Ca -0.29 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 2k0f h LYS 17 Cb 1.12 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 2k0f h LYS 17 CO 1.06 0.72 -0.17 -0.25 -3.45 0.00 0.00 179.45 177.36 2k0f n ASP 18 N -4.36 0.51 0.00 4.20 8.00 -1.26 -5.04 116.55 118.60 2k0f n ASP 18 Ca 0.07 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.86 2k0f n ASP 18 Cb 0.11 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 1.66 1.92 0.10 0.44 0.00 -1.26 -5.02 105.19 103.02 2k0f n GLY 19 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 1.06 0.00 1.61 5.75 -1.26 -4.97 116.55 118.74 2k0f n ASP 20 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 54.79 55.06 2k0f n ASP 20 Cb 0.00 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 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 1.71 1.02 3.56 6.12 0.00 -1.26 -5.08 105.19 111.26 2k0f n GLY 21 Ca -0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 3.95 -0.22 2.61 -4.23 -1.26 -4.02 115.64 110.46 2k0f s THR 22 Ca 0.00 -0.36 -0.06 0.00 -1.18 0.00 0.00 61.69 60.09 2k0f s THR 22 Cb 0.00 -2.68 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 2k0f s THR 22 CO 0.00 0.55 0.03 -0.63 -0.54 0.00 0.00 174.62 174.03 2k0f s ILE 23 N -0.23 4.13 0.81 2.99 1.01 -0.86 -4.87 121.20 124.19 2k0f s ILE 23 Ca 0.04 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.37 2k0f s ILE 23 Cb -0.13 -2.90 0.13 0.00 0.01 0.00 0.00 42.46 39.58 2k0f s ILE 23 CO 0.02 0.39 1.13 0.42 0.00 0.00 0.00 174.94 176.90 2k0f s THR 24 N 1.29 2.12 0.21 2.92 -4.23 -1.26 -0.21 115.64 116.48 2k0f s THR 24 Ca 0.04 -0.26 0.20 0.00 -1.18 0.00 0.00 61.69 60.49 2k0f s THR 24 Cb -0.15 -2.86 0.17 0.00 1.34 0.00 0.00 72.50 71.00 2k0f s THR 24 CO 0.02 0.00 1.80 0.71 -0.54 0.00 0.00 174.62 176.61 2k0f h THR 25 N -0.97 0.81 0.11 3.99 1.35 -1.97 -2.90 112.91 113.33 2k0f h THR 25 Ca -0.42 -1.30 -0.22 0.00 -0.55 0.00 0.00 66.41 63.92 2k0f h THR 25 Cb 1.27 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 2k0f h THR 25 CO 0.46 0.31 -1.08 0.11 -0.25 0.00 0.00 175.52 175.06 2k0f h LYS 26 N 0.00 0.24 -0.85 4.72 1.57 -1.95 -1.95 116.57 118.34 2k0f h LYS 26 Ca -0.00 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2k0f h LYS 26 Cb 0.78 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.20 2k0f h LYS 26 CO 0.04 1.19 0.52 0.93 -0.57 0.00 0.00 179.45 181.56 2k0f h GLU 27 N -0.42 1.15 -0.00 3.15 5.08 -1.87 0.22 114.58 121.90 2k0f h GLU 27 Ca -0.22 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2k0f h GLU 27 Cb 1.64 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.65 2k0f h GLU 27 CO 0.07 0.80 -0.00 1.25 -1.00 0.00 0.00 179.01 180.14 2k0f h LEU 28 N 1.17 0.01 -2.53 1.33 5.85 -1.59 -2.53 115.31 117.02 2k0f h LEU 28 Ca 0.31 -0.50 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 2k0f h LEU 28 Cb -0.06 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 2k0f h LEU 28 CO -0.06 0.51 -0.00 1.23 -0.34 0.00 0.00 178.44 179.78 2k0f h GLY 29 N -0.49 0.00 0.64 3.75 0.00 -0.97 -2.31 103.07 103.68 2k0f h GLY 29 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2k0f h GLY 29 CO 0.00 0.00 -0.46 -0.84 0.00 0.00 0.00 176.54 175.24 2k0f h THR 30 N 0.00 1.48 -0.89 4.70 2.02 -0.30 -1.06 112.91 118.86 2k0f h THR 30 Ca -0.00 -2.05 0.04 0.00 0.77 0.00 0.00 66.41 65.17 2k0f h THR 30 Cb 0.01 2.70 -0.05 0.00 -1.74 0.00 0.00 68.15 69.07 2k0f h THR 30 CO 0.00 0.58 0.58 0.58 0.37 0.00 0.00 175.52 177.63 2k0f h VAL 31 N -0.29 1.12 -0.54 3.16 2.07 -1.09 0.41 116.25 121.09 2k0f h VAL 31 Ca -0.06 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 2k0f h VAL 31 Cb 1.20 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 2k0f h VAL 31 CO 0.09 0.20 0.09 0.24 0.02 0.00 0.00 177.57 178.21 2k0f h MET 32 N 1.08 0.90 -0.51 1.57 2.86 -1.31 -2.86 114.93 116.65 2k0f h MET 32 Ca 0.36 -0.24 -0.11 0.00 -2.06 0.00 0.00 59.70 57.65 2k0f h MET 32 Cb 0.08 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 2k0f h MET 32 CO -0.12 0.87 -0.12 -0.09 1.06 0.00 0.00 176.91 178.51 2k0f h ARG 33 N 0.79 0.99 -0.73 1.72 2.43 -1.01 -1.49 114.38 117.08 2k0f h ARG 33 Ca 0.17 -0.38 0.07 0.00 -0.81 0.00 0.00 59.98 59.03 2k0f h ARG 33 Cb 0.41 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 2k0f h ARG 33 CO 0.01 1.05 0.41 0.77 -1.51 0.00 0.00 179.97 180.71 2k0f h SER 34 N 0.85 0.61 0.85 -3.80 0.02 -0.19 -2.24 113.55 109.65 2k0f h SER 34 Ca 0.13 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 2k0f h SER 34 Cb 0.69 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2k0f h SER 34 CO 0.05 0.38 -0.47 0.25 -1.14 0.00 0.00 176.83 175.90 2k0f h LEU 35 N 0.74 -1.16 0.00 5.07 5.85 -1.43 -3.33 115.31 121.05 2k0f h LEU 35 Ca 0.33 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.11 2k0f h LEU 35 Cb 0.23 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2k0f h LEU 35 CO -0.20 -0.75 0.00 0.61 -0.34 0.00 0.00 178.44 177.76 2k0f n GLY 36 N -1.62 0.00 3.38 3.75 0.00 -0.83 -4.75 105.19 105.12 2k0f n GLY 36 Ca -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 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 0.40 -0.31 1.61 2.00 -0.62 -4.96 119.66 117.78 2k0f s GLN 37 Ca 0.00 1.16 -0.10 0.00 -2.00 0.00 0.00 55.36 54.42 2k0f s GLN 37 Cb 0.00 0.50 -0.01 0.00 0.80 0.00 0.00 33.01 34.29 2k0f s GLN 37 CO 0.00 -0.24 0.17 1.21 -0.50 0.00 0.00 175.29 175.94 2k0f s ASN 38 N 2.69 5.69 0.65 6.67 2.47 -1.26 -3.22 114.94 128.63 2k0f s ASN 38 Ca -0.03 -0.45 -0.06 0.00 0.42 0.00 0.00 52.86 52.74 2k0f s ASN 38 Cb -0.12 -2.04 0.03 0.00 -1.45 0.00 0.00 41.25 37.67 2k0f s ASN 38 CO -0.15 -0.19 0.96 -2.16 -3.72 0.00 0.00 177.10 171.85 2k0f s PRO 39 N 1.65 2.59 0.33 0.43 0.04 -1.26 -5.03 135.00 133.75 2k0f s PRO 39 Ca 0.05 -0.09 -0.29 0.00 0.04 0.00 0.00 61.00 60.71 2k0f s PRO 39 Cb -0.17 -2.21 -0.10 0.00 0.04 0.00 0.00 34.50 32.05 2k0f s PRO 39 CO 0.08 -0.96 1.38 0.99 0.04 0.00 0.00 177.00 178.53 2k0f s THR 40 N -3.13 2.52 0.11 1.26 2.01 -1.26 -4.92 115.64 112.23 2k0f s THR 40 Ca 0.57 0.50 -0.16 0.00 0.31 0.00 0.00 61.69 62.91 2k0f s THR 40 Cb -0.11 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 2k0f s THR 40 CO 0.45 0.11 1.55 -0.33 -0.69 0.00 0.00 174.62 175.71 2k0f h GLU 41 N 3.59 0.63 -0.54 4.92 5.08 -1.99 -1.68 114.58 124.59 2k0f h GLU 41 Ca -0.49 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 57.58 2k0f h GLU 41 Cb 1.23 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2k0f h GLU 41 CO 0.67 0.75 0.01 0.00 -1.00 0.00 0.00 179.01 179.44 2k0f h ALA 42 N 0.85 0.72 0.00 3.43 0.00 -1.98 -2.48 119.26 119.80 2k0f h ALA 42 Ca 0.10 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 2k0f h ALA 42 Cb 0.48 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2k0f h ALA 42 CO 0.02 0.54 -0.41 0.93 0.00 0.00 0.00 179.25 180.33 2k0f h GLU 43 N 0.82 0.00 -0.02 0.00 5.08 -1.85 0.61 114.58 119.23 2k0f h GLU 43 Ca 0.15 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 43 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2k0f h GLU 43 CO 0.03 0.41 -0.77 1.25 -1.00 0.00 0.00 179.01 178.93 2k0f h LEU 44 N 0.00 0.20 -0.48 1.33 5.85 -1.30 -2.55 115.31 118.36 2k0f h LEU 44 Ca -0.00 -0.14 -0.17 0.00 0.84 0.00 0.00 57.88 58.40 2k0f h LEU 44 Cb 0.84 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2k0f h LEU 44 CO 0.05 0.89 -0.74 -0.61 -0.34 0.00 0.00 178.44 177.69 2k0f h GLN 45 N 0.10 0.17 -0.40 1.25 4.15 -0.87 -2.43 115.11 117.08 2k0f h GLN 45 Ca -0.02 -0.15 -0.11 0.00 0.77 0.00 0.00 58.65 59.14 2k0f h GLN 45 Cb 1.35 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 29.06 2k0f h GLN 45 CO 0.11 0.83 -0.19 0.22 -1.93 0.00 0.00 178.83 177.87 2k0f h ASP 46 N 0.11 0.77 -0.47 -0.69 3.58 -0.97 0.42 116.42 119.17 2k0f h ASP 46 Ca -0.02 -0.26 -0.06 0.00 0.42 0.00 0.00 57.03 57.11 2k0f h ASP 46 Cb 1.31 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 42.13 2k0f h ASP 46 CO 0.11 0.95 0.08 -0.03 -2.88 0.00 0.00 179.24 177.47 2k0f h MET 47 N 0.67 0.78 -0.28 0.28 4.05 -1.31 -2.81 114.93 116.31 2k0f h MET 47 Ca 0.10 -0.21 -0.06 0.00 -0.28 0.00 0.00 59.70 59.26 2k0f h MET 47 Cb 0.69 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.39 2k0f h MET 47 CO 0.05 0.79 -0.04 0.82 0.23 0.00 0.00 176.91 178.76 2k0f h ILE 48 N 0.65 1.27 0.00 1.77 1.08 -1.27 -2.20 117.51 118.82 2k0f h ILE 48 Ca 0.14 -1.03 0.00 0.00 -0.39 0.00 0.00 64.86 63.58 2k0f h ILE 48 Cb 0.38 1.38 0.00 0.00 -3.07 0.00 0.00 36.82 35.51 2k0f h ILE 48 CO 0.01 0.33 0.00 0.78 -0.69 0.00 0.00 178.15 178.58 2k0f h ASN 49 N 0.29 0.00 1.17 1.72 2.35 0.06 0.14 115.58 121.31 2k0f h ASN 49 Ca 0.07 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 2k0f h ASN 49 Cb 0.50 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 2k0f h ASN 49 CO 0.02 0.00 -0.52 -0.08 -1.65 0.00 0.00 177.43 175.20 2k0f h GLU 50 N 0.00 0.00 0.02 0.81 4.81 -1.15 -3.31 114.58 115.76 2k0f h GLU 50 Ca 0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 2k0f h GLU 50 Cb 0.01 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 2k0f h GLU 50 CO 0.00 0.52 -2.10 0.28 -0.73 0.00 0.00 179.01 176.98 2k0f n VAL 51 N -3.37 1.53 -2.04 0.32 0.31 -0.19 -4.95 118.33 109.96 2k0f n VAL 51 Ca 0.01 -0.77 -0.42 0.00 -0.01 0.00 0.00 64.34 63.14 2k0f n VAL 51 Cb 0.68 -0.96 -0.03 0.00 -0.91 0.00 0.00 33.84 32.62 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k0f s ASP 52 N -6.04 6.69 -0.20 4.52 2.15 0.32 -4.84 116.67 119.27 2k0f s ASP 52 Ca -0.13 2.48 -0.09 0.00 0.43 0.00 0.00 52.55 55.24 2k0f s ASP 52 Cb 0.07 -2.59 -0.09 0.00 -0.30 0.00 0.00 42.92 40.02 2k0f s ASP 52 CO 0.79 -0.75 -0.25 0.00 -0.17 0.00 0.00 175.17 174.79 2k0f n ALA 53 N 4.06 1.73 -1.00 3.66 0.00 -1.26 -4.77 120.51 122.92 2k0f n ALA 53 Ca 0.13 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2k0f n ALA 53 Cb 0.40 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.09 2k0f n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k0f n ASP 54 N -3.85 0.00 0.00 0.00 5.68 -1.26 -5.01 116.55 112.11 2k0f n ASP 54 Ca -0.39 0.34 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 2k0f n ASP 54 Cb 0.78 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.76 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 55 N -0.46 -0.34 0.00 6.12 0.00 -1.26 -5.04 105.19 104.20 2k0f n GLY 55 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 0.79 -1.05 1.61 0.23 -1.26 -4.97 115.26 110.61 2k0f n ASN 56 Ca 0.00 -0.69 -0.14 0.00 -0.53 0.00 0.00 54.58 53.23 2k0f n ASN 56 Cb 0.00 0.86 -0.06 0.00 -2.08 0.00 0.00 39.78 38.50 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 1.47 1.42 3.53 4.83 0.00 -1.26 -5.03 105.19 110.15 2k0f n GLY 57 Ca 0.04 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.51 3.24 -0.40 2.61 -4.23 -1.26 -4.25 115.64 108.85 2k0f s THR 58 Ca 0.00 -1.01 -0.24 0.00 -1.18 0.00 0.00 61.69 59.26 2k0f s THR 58 Cb 0.00 -2.41 0.02 0.00 1.34 0.00 0.00 72.50 71.45 2k0f s THR 58 CO 0.00 0.34 0.83 -0.63 -0.54 0.00 0.00 174.62 174.62 2k0f s ILE 59 N -0.99 4.65 0.59 2.99 1.01 0.71 -4.85 121.20 125.30 2k0f s ILE 59 Ca 0.17 0.84 -0.04 0.00 0.00 0.00 0.00 60.65 61.62 2k0f s ILE 59 Cb -0.11 -4.29 0.03 0.00 0.01 0.00 0.00 42.46 38.10 2k0f s ILE 59 CO 0.07 -0.57 0.87 -1.81 0.00 0.00 0.00 174.94 173.51 2k0f s ASP 60 N 1.97 5.35 0.10 3.58 1.11 -1.26 -2.02 116.67 125.50 2k0f s ASP 60 Ca 0.33 0.44 -0.23 0.00 0.18 0.00 0.00 52.55 53.27 2k0f s ASP 60 Cb -0.12 -1.36 -0.12 0.00 1.07 0.00 0.00 42.92 42.39 2k0f s ASP 60 CO 0.20 -1.17 1.72 -0.26 1.18 0.00 0.00 175.17 176.83 2k0f h PHE 61 N -0.16 -0.13 0.00 4.23 0.04 -1.97 -1.16 116.94 117.79 2k0f h PHE 61 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.33 2k0f h PHE 61 Cb 1.28 0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.49 2k0f h PHE 61 CO 0.41 -0.08 0.00 -1.00 -0.60 0.00 0.00 178.31 177.04 2k0f h PRO 62 N -0.10 0.00 -0.00 1.51 0.13 -1.96 0.58 132.00 132.16 2k0f h PRO 62 Ca 0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2k0f h PRO 62 Cb 0.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.25 2k0f h PRO 62 CO -0.05 0.00 -0.00 0.93 -0.23 0.00 0.00 178.00 178.65 2k0f h GLU 63 N 0.00 0.01 0.00 0.86 5.08 -1.71 -3.11 114.58 115.71 2k0f h GLU 63 Ca 0.00 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 63 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 2k0f h GLU 63 CO 0.00 0.51 -0.09 0.35 -1.00 0.00 0.00 179.01 178.79 2k0f h PHE 64 N -0.50 0.00 -0.69 4.33 3.57 0.27 -1.05 116.94 122.88 2k0f h PHE 64 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2k0f h PHE 64 Cb 0.51 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 2k0f h PHE 64 CO 0.10 0.09 0.31 -0.07 -2.23 0.00 0.00 178.31 176.51 2k0f h LEU 65 N 0.00 0.91 -0.87 0.59 3.38 -1.29 -2.27 115.31 115.77 2k0f h LEU 65 Ca -0.00 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 2k0f h LEU 65 Cb 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2k0f h LEU 65 CO 0.01 0.81 -0.49 0.74 0.09 0.00 0.00 178.44 179.60 2k0f h THR 66 N 0.96 1.17 -0.06 0.22 2.02 -1.14 -3.26 112.91 112.81 2k0f h THR 66 Ca 0.23 -1.79 -0.23 0.00 0.77 0.00 0.00 66.41 65.38 2k0f h THR 66 Cb 0.15 2.02 0.01 0.00 -1.74 0.00 0.00 68.15 68.59 2k0f h THR 66 CO -0.03 0.48 -0.90 -0.03 0.37 0.00 0.00 175.52 175.42 2k0f h MET 67 N 0.00 0.64 -0.12 6.66 1.85 -0.81 -3.08 114.93 120.07 2k0f h MET 67 Ca -0.00 -0.61 -0.06 0.00 -0.61 0.00 0.00 59.70 58.41 2k0f h MET 67 Cb 0.98 0.15 -0.01 0.00 0.43 0.00 0.00 31.60 33.15 2k0f h MET 67 CO 0.06 1.22 -0.21 0.52 -0.40 0.00 0.00 176.91 178.10 2k0f h MET 68 N 0.40 0.21 -0.03 0.39 2.07 -1.50 -3.06 114.93 113.42 2k0f h MET 68 Ca -0.08 -0.06 0.00 0.00 -2.07 0.00 0.00 59.70 57.49 2k0f h MET 68 Cb 1.53 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 31.24 2k0f h MET 68 CO 0.17 0.42 -0.06 0.00 1.07 0.00 0.00 176.91 178.51 2k0f n ALA 69 N -2.48 2.61 -2.13 6.32 0.00 -1.22 -4.95 120.51 118.67 2k0f n ALA 69 Ca -0.01 -0.64 -0.42 0.00 0.00 0.00 0.00 53.44 52.37 2k0f n ALA 69 Cb 0.32 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 2k0f n ALA 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k0f s ARG 70 N -2.06 4.27 -0.06 0.00 0.52 -1.16 -5.03 118.95 115.42 2k0f s ARG 70 Ca 0.29 2.09 -0.00 0.00 -0.52 0.00 0.00 55.73 57.58 2k0f s ARG 70 Cb 0.20 -3.48 -0.03 0.00 0.52 0.00 0.00 34.95 32.16 2k0f s ARG 70 CO 0.34 -0.58 -0.02 0.15 0.02 0.00 0.00 175.30 175.22 2k0f s LYS 71 N 2.07 2.88 0.29 3.54 1.02 -1.26 -5.09 119.74 123.18 2k0f s LYS 71 Ca 0.67 -0.49 0.05 0.00 0.02 0.00 0.00 55.97 56.22 2k0f s LYS 71 Cb -0.35 -2.71 -0.02 0.00 -0.52 0.00 0.00 37.83 34.23 2k0f s LYS 71 CO 0.29 0.68 0.42 -1.64 -0.92 0.00 0.00 175.35 174.18 2k0f s MET 72 N -1.01 3.30 0.85 1.68 -1.94 -1.26 -5.11 119.30 115.80 2k0f s MET 72 Ca 0.14 -0.83 -0.11 0.00 -1.71 0.00 0.00 55.69 53.17 2k0f s MET 72 Cb -0.11 -2.84 0.10 0.00 2.01 0.00 0.00 34.83 33.99 2k0f s MET 72 CO 0.04 0.24 1.10 -1.59 -0.01 0.00 0.00 175.02 174.80 2k0f s LYS 73 N -4.09 1.65 0.24 2.03 -2.85 -1.26 -4.74 119.74 110.72 2k0f s LYS 73 Ca 0.39 0.73 -0.04 0.00 -1.00 0.00 0.00 55.97 56.05 2k0f s LYS 73 Cb -0.09 -1.86 0.27 0.00 -2.06 0.00 0.00 37.83 34.09 2k0f s LYS 73 CO 0.30 -1.94 1.77 -0.44 0.10 0.00 0.00 175.35 175.14 2k0f h ASP 74 N -1.33 0.90 -0.17 0.03 5.19 -1.99 0.19 116.42 119.24 2k0f h ASP 74 Ca -0.48 -0.18 -0.14 0.00 -0.62 0.00 0.00 57.03 55.60 2k0f h ASP 74 Cb 1.28 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 2k0f h ASP 74 CO 0.57 0.88 -0.39 0.71 -3.12 0.00 0.00 179.24 177.90 2k0f h THR 75 N 0.90 1.29 -0.00 0.35 1.35 -1.99 -2.69 112.91 112.13 2k0f h THR 75 Ca 0.19 -1.55 -0.16 0.00 -0.55 0.00 0.00 66.41 64.33 2k0f h THR 75 Cb 0.36 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 68.23 2k0f h THR 75 CO 0.00 0.50 -0.78 0.44 -0.25 0.00 0.00 175.52 175.44 2k0f h ASP 76 N 0.58 0.02 0.06 5.36 3.32 -1.64 -0.24 116.42 123.87 2k0f h ASP 76 Ca 0.05 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2k0f h ASP 76 Cb 0.92 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.46 2k0f h ASP 76 CO 0.08 0.79 0.00 -0.24 -1.72 0.00 0.00 179.24 178.15 2k0f n SER 77 N -3.63 0.00 -0.02 6.45 2.88 0.57 -2.19 113.62 117.68 2k0f n SER 77 Ca -0.01 -0.82 -0.04 0.00 -1.33 0.00 0.00 58.87 56.67 2k0f n SER 77 Cb 0.75 -0.03 -0.02 0.00 -0.75 0.00 0.00 64.21 64.16 2k0f n SER 77 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2k0f n GLU 78 N -1.03 0.09 -0.06 -1.46 2.13 -1.04 -4.59 120.64 114.68 2k0f n GLU 78 Ca 0.21 0.04 -0.08 0.00 0.66 0.00 0.00 57.16 57.98 2k0f n GLU 78 Cb 0.11 -0.70 -0.01 0.00 0.27 0.00 0.00 31.44 31.11 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 -0.13 0.19 0.00 5.31 4.81 -1.05 0.01 114.58 123.72 2k0f h GLU 79 Ca -0.11 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.05 2k0f h GLU 79 Cb 1.10 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 2k0f h GLU 79 CO -0.06 0.13 -0.32 1.49 -0.73 0.00 0.00 179.01 179.52 2k0f h GLU 80 N 0.20 0.00 0.09 1.92 4.81 -1.68 0.82 114.58 120.74 2k0f h GLU 80 Ca 0.11 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.11 2k0f h GLU 80 Cb 0.08 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 2k0f h GLU 80 CO -0.11 0.32 -1.17 0.82 -0.73 0.00 0.00 179.01 178.14 2k0f h ILE 81 N 0.00 1.16 -0.88 2.32 1.08 -1.76 -2.27 117.51 117.16 2k0f h ILE 81 Ca -0.00 -2.38 0.19 0.00 -0.39 0.00 0.00 64.86 62.27 2k0f h ILE 81 Cb 1.13 2.78 -0.16 0.00 -3.07 0.00 0.00 36.82 37.49 2k0f h ILE 81 CO 0.04 0.64 -0.17 -0.09 -0.69 0.00 0.00 178.15 177.89 2k0f h ARG 82 N -0.48 0.01 0.00 2.37 2.43 -0.45 0.48 114.38 118.74 2k0f h ARG 82 Ca -0.26 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.87 2k0f h ARG 82 Cb 1.60 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.14 2k0f h ARG 82 CO 0.03 0.01 -0.20 0.93 -1.51 0.00 0.00 179.97 179.23 2k0f h GLU 83 N 0.01 0.00 -0.00 0.20 4.39 -0.89 -2.35 114.58 115.93 2k0f h GLU 83 Ca 0.44 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.99 2k0f h GLU 83 Cb 0.72 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 2k0f h GLU 83 CO -0.88 0.20 -0.71 0.00 -1.16 0.00 0.00 179.01 176.46 2k0f h ALA 84 N 1.80 0.83 -0.66 3.43 0.00 -0.60 -2.73 119.26 121.33 2k0f h ALA 84 Ca -0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 2k0f h ALA 84 Cb 0.93 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2k0f h ALA 84 CO 0.03 0.88 0.30 0.35 0.00 0.00 0.00 179.25 180.80 2k0f h PHE 85 N 0.01 0.97 -0.73 0.00 3.57 -0.75 -1.56 116.94 118.46 2k0f h PHE 85 Ca -0.01 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 2k0f h PHE 85 Cb 1.25 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 2k0f h PHE 85 CO 0.00 0.74 0.38 -0.09 -2.23 0.00 0.00 178.31 177.11 2k0f h ARG 86 N 0.92 1.03 -0.48 1.11 2.43 -1.31 -0.35 114.38 117.74 2k0f h ARG 86 Ca 0.23 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2k0f h ARG 86 Cb 0.15 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2k0f h ARG 86 CO -0.03 0.79 0.07 0.28 -1.51 0.00 0.00 179.97 179.57 2k0f h VAL 87 N 1.01 1.25 0.50 0.20 2.07 -1.33 -3.33 116.25 116.62 2k0f h VAL 87 Ca 0.25 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 2k0f h VAL 87 Cb 0.07 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2k0f h VAL 87 CO -0.04 0.33 -0.24 0.15 0.02 0.00 0.00 177.57 177.79 2k0f h PHE 88 N 0.67 -0.62 -2.56 1.57 3.04 -0.86 -3.43 116.94 114.73 2k0f h PHE 88 Ca 0.14 -0.01 -0.55 0.00 3.98 0.00 0.00 57.97 61.53 2k0f h PHE 88 Cb 0.40 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.11 2k0f h PHE 88 CO 0.03 -0.39 1.14 0.34 -2.02 0.00 0.00 178.31 177.41 2k0f s ASP 89 N -3.10 6.53 -0.09 0.41 2.15 -0.18 -4.97 116.67 117.43 2k0f s ASP 89 Ca -0.10 2.20 -0.27 0.00 0.43 0.00 0.00 52.55 54.81 2k0f s ASP 89 Cb 0.01 -2.53 -0.24 0.00 -0.30 0.00 0.00 42.92 39.86 2k0f s ASP 89 CO 0.29 -1.04 0.96 0.50 -0.17 0.00 0.00 175.17 175.72 2k0f h LYS 90 N 10.14 0.03 -0.01 4.34 3.64 -1.85 -3.39 116.57 129.47 2k0f h LYS 90 Ca -0.40 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.89 2k0f h LYS 90 Cb 1.19 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2k0f h LYS 90 CO 0.96 0.84 -0.18 0.38 -2.27 0.00 0.00 179.45 179.17 2k0f h ASP 91 N -0.75 0.18 0.00 4.20 3.04 -1.94 -3.48 116.42 117.67 2k0f h ASP 91 Ca -0.01 -0.73 0.00 0.00 -3.24 0.00 0.00 57.03 53.05 2k0f h ASP 91 Cb 0.86 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 39.09 2k0f h ASP 91 CO 0.01 0.89 0.00 0.61 -2.04 0.00 0.00 179.24 178.71 2k0f n GLY 92 N 0.92 -0.24 0.00 7.15 0.00 -1.26 -5.04 105.19 106.72 2k0f n GLY 92 Ca -0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 0.17 -1.61 1.61 0.23 -1.26 -4.93 115.26 109.47 2k0f n ASN 93 Ca 0.00 0.28 -0.07 0.00 -0.53 0.00 0.00 54.58 54.26 2k0f n ASN 93 Cb 0.00 -0.28 0.03 0.00 -2.08 0.00 0.00 39.78 37.44 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 94 N 1.49 0.36 2.69 4.83 0.00 -1.26 -5.07 105.19 108.24 2k0f n GLY 94 Ca 0.06 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.11 -0.01 -0.22 1.61 2.02 -1.26 -3.84 117.35 112.54 2k0f s TYR 95 Ca 0.12 0.04 -0.29 0.00 -0.37 0.00 0.00 57.07 56.57 2k0f s TYR 95 Cb -0.05 -0.51 0.01 0.00 -0.40 0.00 0.00 41.96 41.00 2k0f s TYR 95 CO 0.24 -0.47 1.05 0.42 -1.57 0.00 0.00 175.55 175.22 2k0f s ILE 96 N 2.22 4.66 0.36 2.71 1.01 -0.50 -4.89 121.20 126.78 2k0f s ILE 96 Ca 0.04 2.01 0.08 0.00 0.00 0.00 0.00 60.65 62.77 2k0f s ILE 96 Cb -0.15 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 37.99 2k0f s ILE 96 CO -0.09 -0.17 0.25 -0.94 0.00 0.00 0.00 174.94 173.99 2k0f s SER 97 N 1.23 4.94 0.27 3.58 1.04 -1.26 -2.37 113.70 121.13 2k0f s SER 97 Ca 0.45 -0.70 -0.00 0.00 0.48 0.00 0.00 55.95 56.17 2k0f s SER 97 Cb -0.16 -0.75 0.37 0.00 0.10 0.00 0.00 66.02 65.58 2k0f s SER 97 CO 0.07 -0.42 1.75 0.00 0.98 0.00 0.00 173.24 175.63 2k0f h ALA 98 N 1.32 1.11 -0.53 5.32 0.00 -1.94 0.26 119.26 124.81 2k0f h ALA 98 Ca -0.43 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.25 2k0f h ALA 98 Cb 1.26 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 2k0f h ALA 98 CO 0.61 0.56 0.24 0.00 0.00 0.00 0.00 179.25 180.65 2k0f h ALA 99 N 1.28 0.68 0.08 0.00 0.00 -1.97 -0.85 119.26 118.48 2k0f h ALA 99 Ca 0.12 0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.82 2k0f h ALA 99 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2k0f h ALA 99 CO 0.03 -0.14 -1.13 0.93 0.00 0.00 0.00 179.25 178.94 2k0f h GLU 100 N 0.45 0.31 -0.59 0.00 5.08 -1.70 -3.24 114.58 114.89 2k0f h GLU 100 Ca 0.25 -0.44 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 2k0f h GLU 100 Cb 0.22 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2k0f h GLU 100 CO -0.21 1.17 0.15 1.25 -1.00 0.00 0.00 179.01 180.37 2k0f h LEU 101 N 0.12 0.89 -0.12 1.33 5.85 -0.89 0.44 115.31 122.93 2k0f h LEU 101 Ca -0.11 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.41 2k0f h LEU 101 Cb 1.83 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.58 2k0f h LEU 101 CO 0.19 0.89 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.98 2k0f h ARG 102 N 0.86 -0.13 -0.97 1.25 2.43 -1.29 -1.67 114.38 114.86 2k0f h ARG 102 Ca 0.19 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 2k0f h ARG 102 Cb 0.34 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.86 2k0f h ARG 102 CO 0.00 -0.09 0.63 0.45 -1.51 0.00 0.00 179.97 179.46 2k0f h HIS 103 N -0.13 1.19 -0.06 2.20 3.86 -1.35 0.37 115.15 121.23 2k0f h HIS 103 Ca 0.08 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.34 2k0f h HIS 103 Cb 0.25 -0.40 -0.06 0.00 1.06 0.00 0.00 27.41 28.27 2k0f h HIS 103 CO -0.23 0.70 -0.51 0.28 0.86 0.00 0.00 177.93 179.03 2k0f h VAL 104 N 1.24 0.00 -0.53 2.45 2.07 -0.88 0.14 116.25 120.73 2k0f h VAL 104 Ca 0.38 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.85 2k0f h VAL 104 Cb -0.02 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.72 2k0f h VAL 104 CO -0.12 0.00 0.11 0.24 0.02 0.00 0.00 177.57 177.83 2k0f h MET 105 N -0.59 0.83 -0.53 1.57 2.07 -1.04 0.60 114.93 117.83 2k0f h MET 105 Ca 0.02 -0.18 -0.06 0.00 -2.07 0.00 0.00 59.70 57.42 2k0f h MET 105 Cb 0.66 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 30.25 2k0f h MET 105 CO -0.37 0.76 0.09 1.15 1.07 0.00 0.00 176.91 179.61 2k0f h THR 106 N 0.79 1.23 -0.33 2.22 2.02 -0.82 0.12 112.91 118.15 2k0f h THR 106 Ca 0.17 -0.88 -0.09 0.00 0.77 0.00 0.00 66.41 66.38 2k0f h THR 106 Cb 0.32 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2k0f h THR 106 CO 0.00 0.32 -0.15 0.78 0.37 0.00 0.00 175.52 176.84 2k0f h ASN 107 N 0.79 0.70 -0.89 4.18 2.35 -0.37 -3.30 115.58 119.04 2k0f h ASN 107 Ca 0.17 -0.40 0.17 0.00 -0.55 0.00 0.00 56.30 55.68 2k0f h ASN 107 Cb 0.34 -0.19 -0.07 0.00 0.05 0.00 0.00 38.32 38.45 2k0f h ASN 107 CO 0.00 0.95 0.58 0.25 -1.65 0.00 0.00 177.43 177.56 2k0f h LEU 108 N 0.45 0.57 0.00 1.61 5.85 -0.86 -3.34 115.31 119.59 2k0f h LEU 108 Ca 0.07 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2k0f h LEU 108 Cb 0.68 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2k0f h LEU 108 CO 0.05 0.26 0.00 0.61 -0.34 0.00 0.00 178.44 179.02 2k0f n GLY 109 N -1.46 1.11 3.79 3.75 0.00 -0.66 -4.79 105.19 106.93 2k0f n GLY 109 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.10 3.91 -0.77 1.61 0.41 0.34 -5.02 118.70 119.08 2k0f s GLU 110 Ca 0.00 -0.17 -0.02 0.00 -0.41 0.00 0.00 54.97 54.37 2k0f s GLU 110 Cb 0.00 -3.33 0.32 0.00 -1.78 0.00 0.00 34.13 29.33 2k0f s GLU 110 CO 0.00 0.48 2.14 1.63 -0.49 0.00 0.00 175.26 179.02 2k0f n LYS 111 N 2.92 2.68 -2.21 1.61 5.02 -1.26 -4.24 118.16 122.69 2k0f n LYS 111 Ca -0.17 -3.30 -0.35 0.00 -2.02 0.00 0.00 58.31 52.46 2k0f n LYS 111 Cb 0.53 -2.24 0.01 0.00 -0.02 0.00 0.00 35.03 33.31 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 -3.75 3.73 0.48 -0.35 1.43 -1.26 -5.05 118.68 113.91 2k0f s LEU 112 Ca 0.54 2.22 0.07 0.00 -1.03 0.00 0.00 54.13 55.93 2k0f s LEU 112 Cb 0.44 -4.58 0.01 0.00 0.03 0.00 0.00 46.19 42.08 2k0f s LEU 112 CO -0.35 -1.30 0.44 0.42 0.23 0.00 0.00 176.35 175.80 2k0f s THR 113 N -1.74 2.28 0.19 5.49 -4.23 -1.26 -4.99 115.64 111.39 2k0f s THR 113 Ca 0.74 -1.34 -0.01 0.00 -1.18 0.00 0.00 61.69 59.89 2k0f s THR 113 Cb -0.25 -2.62 -0.07 0.00 1.34 0.00 0.00 72.50 70.90 2k0f s THR 113 CO 0.28 0.00 1.49 0.44 -0.54 0.00 0.00 174.62 176.30 2k0f h ASP 114 N 0.82 0.53 -0.84 3.99 5.19 -2.00 -1.31 116.42 122.80 2k0f h ASP 114 Ca -0.38 -0.30 0.15 0.00 -0.62 0.00 0.00 57.03 55.88 2k0f h ASP 114 Cb 1.28 -0.15 -0.15 0.00 0.18 0.00 0.00 39.33 40.49 2k0f h ASP 114 CO 0.55 1.01 -0.27 1.21 -3.12 0.00 0.00 179.24 178.62 2k0f n GLU 115 N -3.91 -0.13 -0.03 3.56 2.13 -1.26 -3.25 120.64 117.74 2k0f n GLU 115 Ca -0.03 1.31 -0.16 0.00 0.66 0.00 0.00 57.16 58.94 2k0f n GLU 115 Cb 0.63 -1.95 -0.09 0.00 0.27 0.00 0.00 31.44 30.30 2k0f n GLU 115 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2k0f h GLU 116 N 0.00 0.43 -0.39 5.31 5.08 -1.63 -3.17 114.58 120.21 2k0f h GLU 116 Ca 0.35 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2k0f h GLU 116 Cb 0.56 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2k0f h GLU 116 CO -0.86 1.00 0.17 0.28 -1.00 0.00 0.00 179.01 178.60 2k0f h VAL 117 N -0.03 1.18 -0.15 3.13 2.07 -1.52 0.57 116.25 121.50 2k0f h VAL 117 Ca -0.03 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 2k0f h VAL 117 Cb 1.09 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2k0f h VAL 117 CO 0.09 0.20 0.06 -0.78 0.02 0.00 0.00 177.57 177.16 2k0f h ASP 118 N 0.48 0.21 -0.68 0.57 3.58 -1.70 -3.27 116.42 115.62 2k0f h ASP 118 Ca 0.13 -0.17 0.04 0.00 0.42 0.00 0.00 57.03 57.46 2k0f h ASP 118 Cb 0.16 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 2k0f h ASP 118 CO -0.01 0.32 0.45 -0.08 -2.88 0.00 0.00 179.24 177.04 2k0f h GLU 119 N 0.09 0.76 0.25 0.28 4.81 -1.26 -0.41 114.58 119.10 2k0f h GLU 119 Ca 0.05 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2k0f h GLU 119 Cb 0.18 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2k0f h GLU 119 CO -0.00 0.50 -0.12 0.52 -0.73 0.00 0.00 179.01 179.18 2k0f h MET 120 N 0.78 -0.33 0.10 1.92 2.86 -0.98 -0.86 114.93 118.43 2k0f h MET 120 Ca 0.28 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.94 2k0f h MET 120 Cb 0.13 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2k0f h MET 120 CO -0.08 -0.15 -0.05 0.82 1.06 0.00 0.00 176.91 178.50 2k0f h ILE 121 N -0.43 0.93 -0.68 -1.22 1.08 -1.40 -2.85 117.51 112.94 2k0f h ILE 121 Ca -0.03 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2k0f h ILE 121 Cb 0.32 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 35.05 2k0f h ILE 121 CO 0.06 0.03 0.42 -0.09 -0.69 0.00 0.00 178.15 177.88 2k0f h ARG 122 N -0.19 0.92 -0.37 2.37 2.43 -0.95 0.80 114.38 119.39 2k0f h ARG 122 Ca -0.01 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 58.98 2k0f h ARG 122 Cb 0.16 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2k0f h ARG 122 CO 0.02 0.64 -0.19 1.49 -1.51 0.00 0.00 179.97 180.42 2k0f h GLU 123 N 0.93 0.70 0.00 0.20 4.81 -1.23 -3.29 114.58 116.68 2k0f h GLU 123 Ca 0.25 -0.26 -0.19 0.00 -0.13 0.00 0.00 59.36 59.03 2k0f h GLU 123 Cb -0.05 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 2k0f h GLU 123 CO -0.05 0.84 -1.04 0.00 -0.73 0.00 0.00 179.01 178.03 2k0f h ALA 124 N 1.17 0.22 -1.02 2.92 0.00 -1.14 -3.45 119.26 117.96 2k0f h ALA 124 Ca 0.09 -1.09 -0.42 0.00 0.00 0.00 0.00 54.91 53.50 2k0f h ALA 124 Cb 0.67 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 2k0f h ALA 124 CO 0.05 0.58 1.05 0.34 0.00 0.00 0.00 179.25 181.27 2k0f s ASP 125 N -6.75 5.51 0.17 0.00 2.15 0.27 -4.77 116.67 113.26 2k0f s ASP 125 Ca -0.27 -0.57 0.23 0.00 0.43 0.00 0.00 52.55 52.37 2k0f s ASP 125 Cb 0.04 -2.55 0.16 0.00 -0.30 0.00 0.00 42.92 40.27 2k0f s ASP 125 CO 0.61 -2.35 1.18 -0.29 -0.17 0.00 0.00 175.17 174.15 2k0f h ILE 126 N 6.98 0.00 -0.02 4.11 2.10 -1.86 -3.27 117.51 125.56 2k0f h ILE 126 Ca 0.00 -0.75 -0.15 0.00 1.08 0.00 0.00 64.86 65.03 2k0f h ILE 126 Cb 1.05 1.29 -0.02 0.00 -1.09 0.00 0.00 36.82 38.05 2k0f h ILE 126 CO 1.26 0.00 -0.70 -2.24 -1.08 0.00 0.00 178.15 175.39 2k0f h ASP 127 N 0.00 0.11 0.00 2.19 2.03 -1.96 -3.48 116.42 115.32 2k0f h ASP 127 Ca 0.00 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 2k0f h ASP 127 Cb 0.88 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.34 2k0f h ASP 127 CO 0.00 0.77 0.00 0.61 -1.03 0.00 0.00 179.24 179.59 2k0f n GLY 128 N 0.48 1.16 0.16 7.15 0.00 -1.23 -4.99 105.19 107.92 2k0f n GLY 128 Ca -0.02 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 3.04 -1.92 -3.47 116.42 115.68 2k0f h ASP 129 Ca 0.00 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2k0f h ASP 129 Cb 0.43 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.72 2k0f h ASP 129 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 2k0f n GLY 130 N 1.15 1.39 3.51 7.15 0.00 -1.26 -5.07 105.19 112.07 2k0f n GLY 130 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 2k0f n GLY 130 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 131 N -0.28 0.90 -0.36 1.61 -2.07 -1.26 -4.49 119.66 113.71 2k0f s GLN 131 Ca 0.00 -0.07 -0.13 0.00 -1.82 0.00 0.00 55.36 53.34 2k0f s GLN 131 Cb 0.00 0.42 -0.01 0.00 -1.09 0.00 0.00 33.01 32.33 2k0f s GLN 131 CO 0.00 -0.34 0.25 0.08 -1.32 0.00 0.00 175.29 173.96 2k0f s VAL 132 N -2.21 5.24 0.50 3.63 1.01 -1.00 -4.90 120.40 122.67 2k0f s VAL 132 Ca -0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 2k0f s VAL 132 Cb -0.01 -3.75 0.11 0.00 0.00 0.00 0.00 36.38 32.73 2k0f s VAL 132 CO -0.02 -0.08 0.68 -0.46 0.00 0.00 0.00 175.10 175.22 2k0f n ASN 133 N 5.11 0.40 -0.21 3.32 0.23 -1.26 -1.41 115.26 121.44 2k0f n ASN 133 Ca -0.12 -1.46 -0.01 0.00 -0.53 0.00 0.00 54.58 52.46 2k0f n ASN 133 Cb 0.49 -0.49 0.10 0.00 -2.08 0.00 0.00 39.78 37.80 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 -1.01 0.51 -0.66 -2.53 3.20 -1.98 -2.45 116.97 112.05 2k0f h TYR 134 Ca -0.22 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.64 2k0f h TYR 134 Cb 0.70 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 2k0f h TYR 134 CO 0.00 0.20 0.29 0.93 -1.64 0.00 0.00 178.16 177.93 2k0f h GLU 135 N 0.52 0.97 -0.19 1.82 5.08 -1.95 -2.54 114.58 118.29 2k0f h GLU 135 Ca 0.29 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 2k0f h GLU 135 Cb 0.28 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2k0f h GLU 135 CO -0.24 0.79 0.14 0.93 -1.00 0.00 0.00 179.01 179.64 2k0f h GLU 136 N 0.92 0.00 0.11 2.33 5.08 -1.84 -2.30 114.58 118.88 2k0f h GLU 136 Ca 0.22 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.31 2k0f h GLU 136 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2k0f h GLU 136 CO -0.02 0.00 -1.25 0.35 -1.00 0.00 0.00 179.01 177.09 2k0f h PHE 137 N 0.00 0.41 0.00 4.33 3.57 -1.02 -2.66 116.94 121.56 2k0f h PHE 137 Ca 0.09 -0.30 -0.13 0.00 3.53 0.00 0.00 57.97 61.16 2k0f h PHE 137 Cb 0.38 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2k0f h PHE 137 CO 0.00 1.25 -0.63 0.28 -2.23 0.00 0.00 178.31 176.98 2k0f h VAL 138 N 0.06 1.39 -0.47 1.41 2.07 -1.34 -3.02 116.25 116.35 2k0f h VAL 138 Ca -0.13 -2.19 0.03 0.00 0.82 0.00 0.00 66.70 65.23 2k0f h VAL 138 Cb 1.95 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 33.88 2k0f h VAL 138 CO 0.19 0.61 0.27 -0.61 0.02 0.00 0.00 177.57 178.05 2k0f h GLN 139 N 0.00 0.52 -1.29 1.57 5.75 -1.36 -2.78 115.11 117.52 2k0f h GLN 139 Ca -0.01 -0.03 0.37 0.00 -0.15 0.00 0.00 58.65 58.84 2k0f h GLN 139 Cb 1.15 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 29.53 2k0f h GLN 139 CO 0.08 0.34 0.93 0.52 -2.65 0.00 0.00 178.83 178.05 2k0f h MET 140 N 0.53 0.00 0.00 1.69 2.86 -1.34 -2.82 114.93 115.86 2k0f h MET 140 Ca 0.19 -0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.49 2k0f h MET 140 Cb 0.04 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.63 2k0f h MET 140 CO -0.10 0.00 -2.29 -1.33 1.06 0.00 0.00 176.91 174.25 2k0f n MET 141 N -4.15 0.92 0.00 1.72 2.81 -1.07 -5.14 117.12 112.21 2k0f n MET 141 Ca 0.28 -0.01 0.16 0.00 -1.81 0.00 0.00 57.70 56.32 2k0f n MET 141 Cb 1.35 -1.48 0.95 0.00 -0.71 0.00 0.00 33.22 33.32 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73