#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f n GLU 2 N 0.00 -0.03 0.28 -0.78 -0.58 -1.26 -2.57 120.64 115.70 2k0f n GLU 2 Ca 0.00 1.17 -0.16 0.00 -0.42 0.00 0.00 57.16 57.75 2k0f n GLU 2 Cb 0.00 -2.29 -0.08 0.00 -0.57 0.00 0.00 31.44 28.49 2k0f n GLU 2 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2k0f h GLU 3 N 0.00 -0.68 -0.21 3.49 3.07 -2.05 0.23 114.58 118.43 2k0f h GLU 3 Ca 0.82 0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.70 2k0f h GLU 3 Cb 2.61 0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 30.67 2k0f h GLU 3 CO -0.44 -0.46 0.03 1.96 -1.40 0.00 0.00 179.01 178.70 2k0f h GLN 4 N -0.71 0.30 -0.03 2.33 7.50 -1.93 -1.38 115.11 121.20 2k0f h GLN 4 Ca -0.06 -0.04 -0.05 0.00 0.50 0.00 0.00 58.65 59.00 2k0f h GLN 4 Cb 0.56 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.04 2k0f h GLN 4 CO 0.08 0.30 -0.18 0.82 -1.50 0.00 0.00 178.83 178.36 2k0f h ILE 5 N 0.30 1.50 -0.43 2.54 2.04 -1.21 -2.84 117.51 119.41 2k0f h ILE 5 Ca 0.07 -1.72 0.08 0.00 1.00 0.00 0.00 64.86 64.29 2k0f h ILE 5 Cb 0.15 2.55 -0.07 0.00 -0.74 0.00 0.00 36.82 38.71 2k0f h ILE 5 CO -0.00 0.47 0.03 0.00 0.00 0.00 0.00 178.15 178.65 2k0f h ALA 6 N 0.35 0.42 -0.14 1.87 0.00 -0.87 -1.65 119.26 119.24 2k0f h ALA 6 Ca -0.01 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2k0f h ALA 6 Cb 0.86 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2k0f h ALA 6 CO 0.04 -0.37 0.15 1.49 0.00 0.00 0.00 179.25 180.56 2k0f h GLU 7 N 0.14 0.00 0.02 0.00 4.81 -1.21 -0.02 114.58 118.32 2k0f h GLU 7 Ca 0.21 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.15 2k0f h GLU 7 Cb 0.30 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 2k0f h GLU 7 CO -0.33 0.00 -1.67 0.74 -0.73 0.00 0.00 179.01 177.02 2k0f h PHE 8 N 0.00 0.08 -0.48 0.92 0.04 -1.15 -3.36 116.94 112.98 2k0f h PHE 8 Ca 0.07 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 2k0f h PHE 8 Cb 0.36 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 2k0f h PHE 8 CO 0.00 1.11 0.27 -0.22 -0.60 0.00 0.00 178.31 178.86 2k0f h LYS 9 N 0.01 0.68 0.00 1.51 3.64 -0.15 -0.65 116.57 121.61 2k0f h LYS 9 Ca -0.28 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 58.99 2k0f h LYS 9 Cb 2.00 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.68 2k0f h LYS 9 CO 0.09 0.53 -0.16 0.93 -2.27 0.00 0.00 179.45 178.57 2k0f h GLU 10 N 0.64 0.00 0.00 1.90 5.08 -1.32 -0.89 114.58 120.00 2k0f h GLU 10 Ca 0.17 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2k0f h GLU 10 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2k0f h GLU 10 CO -0.03 0.16 -0.01 0.00 -1.00 0.00 0.00 179.01 178.13 2k0f h ALA 11 N 1.84 0.00 -0.91 3.43 0.00 -1.54 -3.35 119.26 118.74 2k0f h ALA 11 Ca -0.00 -0.29 0.24 0.00 0.00 0.00 0.00 54.91 54.86 2k0f h ALA 11 Cb 0.50 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.16 2k0f h ALA 11 CO 0.02 0.01 0.37 0.35 0.00 0.00 0.00 179.25 180.00 2k0f h PHE 12 N -1.00 0.61 0.00 0.00 3.57 -1.01 -2.52 116.94 116.59 2k0f h PHE 12 Ca -0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2k0f h PHE 12 Cb 0.57 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 2k0f h PHE 12 CO 0.16 -0.11 -0.01 0.77 -2.23 0.00 0.00 178.31 176.89 2k0f h SER 13 N 0.34 0.00 -0.26 0.41 0.02 -1.29 0.18 113.55 112.95 2k0f h SER 13 Ca 0.58 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.43 2k0f h SER 13 Cb 1.15 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 2k0f h SER 13 CO -0.57 0.01 -0.19 -0.07 -1.14 0.00 0.00 176.83 174.88 2k0f h LEU 14 N 0.00 0.71 -0.15 5.07 3.38 -1.59 -3.13 115.31 119.59 2k0f h LEU 14 Ca -0.00 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 2k0f h LEU 14 Cb 0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2k0f h LEU 14 CO 0.00 0.89 -0.19 -0.26 0.09 0.00 0.00 178.44 178.98 2k0f h PHE 15 N 0.63 0.48 -2.87 1.13 0.04 -0.75 -3.43 116.94 112.17 2k0f h PHE 15 Ca 0.10 -0.15 -0.56 0.00 2.80 0.00 0.00 57.97 60.15 2k0f h PHE 15 Cb 0.66 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.68 2k0f h PHE 15 CO 0.03 0.81 0.95 0.34 -0.60 0.00 0.00 178.31 179.83 2k0f s ASP 16 N -6.22 6.86 -0.00 2.17 2.15 -1.12 -4.65 116.67 115.87 2k0f s ASP 16 Ca -0.14 1.75 0.22 0.00 0.43 0.00 0.00 52.55 54.81 2k0f s ASP 16 Cb 0.05 -2.54 -0.20 0.00 -0.30 0.00 0.00 42.92 39.94 2k0f s ASP 16 CO 0.77 -0.82 0.84 0.29 -0.17 0.00 0.00 175.17 176.08 2k0f n LYS 17 N 6.77 0.17 0.00 4.34 4.76 -1.26 -4.47 118.16 128.47 2k0f n LYS 17 Ca 0.15 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 2k0f n LYS 17 Cb 0.45 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k0f n ASP 18 N -1.71 0.00 0.00 4.39 8.00 -1.26 -5.05 116.55 120.93 2k0f n ASP 18 Ca 0.02 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.61 2k0f n ASP 18 Cb 0.39 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 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 2.20 0.99 0.28 0.44 0.00 -1.26 -5.07 105.19 102.77 2k0f n GLY 19 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 1.68 0.00 1.61 5.75 -1.26 -5.05 116.55 119.28 2k0f n ASP 20 Ca 0.00 0.29 0.00 0.00 -0.01 0.00 0.00 54.79 55.07 2k0f n ASP 20 Cb 0.00 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.41 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 1.63 -0.69 3.06 6.12 0.00 -1.26 -5.13 105.19 108.91 2k0f n GLY 21 Ca -0.36 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.45 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N -0.27 0.93 -0.18 2.61 -4.23 -1.26 -3.31 115.64 109.93 2k0f s THR 22 Ca 0.00 -0.48 -0.08 0.00 -1.18 0.00 0.00 61.69 59.95 2k0f s THR 22 Cb 0.00 -0.79 -0.04 0.00 1.34 0.00 0.00 72.50 73.01 2k0f s THR 22 CO 0.00 0.27 0.08 -0.63 -0.54 0.00 0.00 174.62 173.80 2k0f s ILE 23 N -0.13 4.95 0.44 2.99 1.01 -0.04 -4.77 121.20 125.66 2k0f s ILE 23 Ca 0.02 0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.75 2k0f s ILE 23 Cb -0.06 -3.23 0.01 0.00 0.01 0.00 0.00 42.46 39.19 2k0f s ILE 23 CO -0.00 0.46 0.61 0.42 0.00 0.00 0.00 174.94 176.43 2k0f s THR 24 N 0.31 3.02 0.23 2.92 -4.23 -1.26 -2.79 115.64 113.83 2k0f s THR 24 Ca 0.05 -0.91 -0.07 0.00 -1.18 0.00 0.00 61.69 59.58 2k0f s THR 24 Cb -0.12 -3.04 0.18 0.00 1.34 0.00 0.00 72.50 70.86 2k0f s THR 24 CO -0.00 -0.02 1.77 0.71 -0.54 0.00 0.00 174.62 176.54 2k0f h THR 25 N 0.52 0.81 -0.16 3.99 1.35 -1.92 -0.59 112.91 116.91 2k0f h THR 25 Ca -0.41 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2k0f h THR 25 Cb 1.28 0.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 2k0f h THR 25 CO 0.47 0.10 0.09 0.50 -0.25 0.00 0.00 175.52 176.44 2k0f h LYS 26 N 0.56 0.19 -0.06 4.72 3.64 -1.96 0.16 116.57 123.82 2k0f h LYS 26 Ca 0.36 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2k0f h LYS 26 Cb 0.41 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2k0f h LYS 26 CO -0.29 0.12 0.04 0.93 -2.27 0.00 0.00 179.45 177.98 2k0f h GLU 27 N 0.19 0.08 -0.06 1.90 5.08 -1.77 0.31 114.58 120.32 2k0f h GLU 27 Ca 0.06 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 27 Cb -0.01 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 2k0f h GLU 27 CO -0.03 0.09 -0.26 1.25 -1.00 0.00 0.00 179.01 179.07 2k0f h LEU 28 N 0.05 -0.78 -0.52 1.33 5.85 -1.12 -2.71 115.31 117.41 2k0f h LEU 28 Ca 0.02 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2k0f h LEU 28 Cb 0.03 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.39 2k0f h LEU 28 CO -0.00 -0.32 0.00 1.23 -0.34 0.00 0.00 178.44 179.01 2k0f h GLY 29 N -0.36 0.00 0.53 3.75 0.00 -0.59 -0.49 103.07 105.90 2k0f h GLY 29 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 2k0f h GLY 29 CO -0.27 0.00 -0.43 -0.84 0.00 0.00 0.00 176.54 175.00 2k0f h THR 30 N 0.00 0.00 -0.73 4.70 2.02 -0.27 -3.24 112.91 115.38 2k0f h THR 30 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 2k0f h THR 30 Cb 0.57 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.93 2k0f h THR 30 CO 0.00 0.00 0.42 0.58 0.37 0.00 0.00 175.52 176.89 2k0f h VAL 31 N -0.93 0.98 -0.14 3.16 2.07 -1.14 -3.06 116.25 117.19 2k0f h VAL 31 Ca -0.07 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.22 2k0f h VAL 31 Cb 0.78 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2k0f h VAL 31 CO 0.00 0.14 -0.04 0.24 0.02 0.00 0.00 177.57 177.93 2k0f h MET 32 N 0.76 -0.01 -0.22 1.57 2.86 -1.23 -2.29 114.93 116.37 2k0f h MET 32 Ca 0.33 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.84 2k0f h MET 32 Cb 0.21 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 2k0f h MET 32 CO -0.19 -0.01 -0.38 0.00 1.06 0.00 0.00 176.91 177.40 2k0f h ARG 33 N -0.01 0.64 -0.70 1.72 3.08 -1.48 0.27 114.38 117.89 2k0f h ARG 33 Ca 0.07 -0.40 0.14 0.00 0.07 0.00 0.00 59.98 59.87 2k0f h ARG 33 Cb 0.12 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.08 2k0f h ARG 33 CO -0.15 1.01 -0.16 0.77 -1.07 0.00 0.00 179.97 180.37 2k0f h SER 34 N 0.33 -0.63 0.16 7.04 0.02 -1.58 -2.62 113.55 116.26 2k0f h SER 34 Ca 0.01 0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2k0f h SER 34 Cb 0.97 0.43 0.00 0.00 0.14 0.00 0.00 62.40 63.94 2k0f h SER 34 CO 0.09 -0.23 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.40 2k0f h LEU 35 N 0.01 -0.18 0.00 5.07 3.38 -1.25 -3.46 115.31 118.87 2k0f h LEU 35 Ca 0.34 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2k0f h LEU 35 Cb 0.52 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2k0f h LEU 35 CO -0.71 0.18 0.00 0.61 0.09 0.00 0.00 178.44 178.61 2k0f n GLY 36 N -0.22 0.00 2.84 0.83 0.00 0.71 -5.08 105.19 104.27 2k0f n GLY 36 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 0.38 -0.58 1.61 -0.21 0.13 -4.94 119.66 116.05 2k0f s GLN 37 Ca 0.00 0.03 0.04 0.00 0.02 0.00 0.00 55.36 55.45 2k0f s GLN 37 Cb 0.00 -0.51 0.14 0.00 1.00 0.00 0.00 33.01 33.64 2k0f s GLN 37 CO 0.00 -0.11 0.33 -0.80 -2.12 0.00 0.00 175.29 172.60 2k0f s ASN 38 N 0.90 4.48 0.56 5.90 0.01 -1.26 -3.12 114.94 122.42 2k0f s ASN 38 Ca -0.10 -3.27 -0.04 0.00 -0.71 0.00 0.00 52.86 48.75 2k0f s ASN 38 Cb -0.13 -1.64 0.01 0.00 0.41 0.00 0.00 41.25 39.90 2k0f s ASN 38 CO -0.01 -0.19 0.85 -2.16 -1.51 0.00 0.00 177.10 174.07 2k0f s PRO 39 N -0.64 2.87 0.57 -0.60 0.04 -1.26 -5.09 135.00 130.89 2k0f s PRO 39 Ca 0.19 -0.19 -0.07 0.00 0.04 0.00 0.00 61.00 60.97 2k0f s PRO 39 Cb -0.20 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 2k0f s PRO 39 CO -0.05 -0.64 0.90 0.95 0.04 0.00 0.00 177.00 178.20 2k0f s THR 40 N -2.89 4.13 0.29 1.26 -4.23 -1.26 -4.89 115.64 108.05 2k0f s THR 40 Ca 0.53 0.21 0.28 0.00 -1.18 0.00 0.00 61.69 61.53 2k0f s THR 40 Cb -0.10 -3.63 0.30 0.00 1.34 0.00 0.00 72.50 70.41 2k0f s THR 40 CO 0.43 -0.67 2.00 -0.33 -0.54 0.00 0.00 174.62 175.50 2k0f h GLU 41 N -0.12 0.00 -0.29 3.99 5.08 -1.98 0.19 114.58 121.46 2k0f h GLU 41 Ca -0.46 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.92 2k0f h GLU 41 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2k0f h GLU 41 CO 0.61 0.13 0.16 0.00 -1.00 0.00 0.00 179.01 178.91 2k0f h ALA 42 N 1.87 0.36 -0.19 3.43 0.00 -1.98 -0.77 119.26 121.98 2k0f h ALA 42 Ca -0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2k0f h ALA 42 Cb 0.48 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2k0f h ALA 42 CO 0.02 -0.22 -0.66 0.93 0.00 0.00 0.00 179.25 179.32 2k0f h GLU 43 N 0.33 0.77 -0.53 0.00 5.08 -1.35 -2.08 114.58 116.80 2k0f h GLU 43 Ca 0.12 -0.58 0.04 0.00 -1.00 0.00 0.00 59.36 57.93 2k0f h GLU 43 Cb 0.01 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2k0f h GLU 43 CO -0.06 1.20 0.29 -0.07 -1.00 0.00 0.00 179.01 179.37 2k0f h LEU 44 N 0.50 0.44 -0.60 1.33 3.38 -0.72 0.04 115.31 119.69 2k0f h LEU 44 Ca -0.03 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.05 2k0f h LEU 44 Cb 1.28 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.89 2k0f h LEU 44 CO 0.14 0.31 0.23 -0.61 0.09 0.00 0.00 178.44 178.59 2k0f h GLN 45 N 0.57 0.40 -0.41 1.13 -0.00 -1.11 -1.85 115.11 113.85 2k0f h GLN 45 Ca 0.22 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.82 2k0f h GLN 45 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 27.46 2k0f h GLN 45 CO -0.13 0.26 0.14 0.22 0.00 0.00 0.00 178.83 179.32 2k0f h ASP 46 N 0.41 0.58 -0.80 -0.69 3.58 -1.00 0.15 116.42 118.64 2k0f h ASP 46 Ca 0.30 -0.19 0.15 0.00 0.42 0.00 0.00 57.03 57.71 2k0f h ASP 46 Cb 0.35 -0.15 -0.10 0.00 1.72 0.00 0.00 39.33 41.16 2k0f h ASP 46 CO -0.29 0.62 0.36 0.24 -2.88 0.00 0.00 179.24 177.28 2k0f h MET 47 N 0.51 0.50 -0.08 0.28 2.86 -0.92 -2.75 114.93 115.33 2k0f h MET 47 Ca 0.13 -0.03 -0.16 0.00 -2.06 0.00 0.00 59.70 57.58 2k0f h MET 47 Cb 0.23 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.79 2k0f h MET 47 CO -0.01 0.33 -0.59 0.82 1.06 0.00 0.00 176.91 178.52 2k0f h ILE 48 N 0.51 1.36 -0.77 -1.22 2.04 -0.43 -3.33 117.51 115.67 2k0f h ILE 48 Ca 0.45 -1.92 0.08 0.00 1.00 0.00 0.00 64.86 64.46 2k0f h ILE 48 Cb 0.67 2.26 -0.07 0.00 -0.74 0.00 0.00 36.82 38.95 2k0f h ILE 48 CO -0.40 0.58 0.44 -1.13 0.00 0.00 0.00 178.15 177.64 2k0f h ASN 49 N 0.14 0.64 -0.70 1.72 -0.73 -0.71 0.05 115.58 116.00 2k0f h ASN 49 Ca -0.05 0.04 0.16 0.00 1.87 0.00 0.00 56.30 58.31 2k0f h ASN 49 Cb 1.25 -0.09 -0.13 0.00 0.27 0.00 0.00 38.32 39.62 2k0f h ASN 49 CO 0.12 0.39 -0.12 1.21 -0.37 0.00 0.00 177.43 178.66 2k0f n GLU 50 N -4.75 -0.06 -0.02 6.67 4.07 -1.04 -2.77 120.64 122.73 2k0f n GLU 50 Ca 0.12 1.08 0.02 0.00 -0.06 0.00 0.00 57.16 58.31 2k0f n GLU 50 Cb 0.23 -1.64 -0.09 0.00 -0.06 0.00 0.00 31.44 29.88 2k0f n GLU 50 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 2k0f n VAL 51 N -5.08 0.26 -1.52 6.31 0.24 -1.05 -4.94 118.33 112.55 2k0f n VAL 51 Ca 0.13 -0.33 -0.34 0.00 -2.04 0.00 0.00 64.34 61.76 2k0f n VAL 51 Cb 0.41 -0.11 -0.12 0.00 -1.47 0.00 0.00 33.84 32.55 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2k0f n ASP 52 N -2.07 0.77 -0.03 -1.34 2.03 -0.02 -4.86 116.55 111.02 2k0f n ASP 52 Ca -0.07 -0.28 -0.13 0.00 0.52 0.00 0.00 54.79 54.82 2k0f n ASP 52 Cb 0.49 -1.13 -0.11 0.00 -0.72 0.00 0.00 41.12 39.65 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f h ALA 53 N 14.18 -0.01 -1.14 -1.67 0.00 -1.90 -3.40 119.26 125.32 2k0f h ALA 53 Ca -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2k0f h ALA 53 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2k0f h ALA 53 CO 1.32 -0.15 0.00 -0.40 0.00 0.00 0.00 179.25 180.03 2k0f n ASP 54 N -4.75 0.00 0.00 0.00 5.68 -1.26 -5.03 116.55 111.19 2k0f n ASP 54 Ca -0.09 0.65 0.00 0.00 -0.50 0.00 0.00 54.79 54.85 2k0f n ASP 54 Cb 0.35 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 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 0.13 1.36 0.00 6.12 0.00 -1.26 -4.99 105.19 106.55 2k0f n GLY 55 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 0.00 -0.06 1.61 0.23 -1.26 -4.89 115.26 110.90 2k0f n ASN 56 Ca 0.00 0.11 -0.01 0.00 -0.53 0.00 0.00 54.58 54.16 2k0f n ASN 56 Cb 0.00 -0.34 -0.00 0.00 -2.08 0.00 0.00 39.78 37.36 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 0.47 0.43 3.13 4.83 0.00 -1.26 -5.02 105.19 107.77 2k0f n GLY 57 Ca 0.09 -1.05 -0.16 0.00 0.00 0.00 0.00 46.02 44.90 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.03 0.87 -0.38 2.61 -4.23 -1.26 -4.79 115.64 106.44 2k0f s THR 58 Ca 0.00 -1.29 -0.26 0.00 -1.18 0.00 0.00 61.69 58.96 2k0f s THR 58 Cb 0.00 -0.96 0.02 0.00 1.34 0.00 0.00 72.50 72.89 2k0f s THR 58 CO 0.00 -0.35 0.93 -0.51 -0.54 0.00 0.00 174.62 174.15 2k0f s ILE 59 N -1.55 4.57 0.59 2.99 2.07 -1.12 -4.77 121.20 123.98 2k0f s ILE 59 Ca -0.03 1.14 -0.04 0.00 -1.41 0.00 0.00 60.65 60.31 2k0f s ILE 59 Cb -0.09 -4.35 0.02 0.00 0.13 0.00 0.00 42.46 38.18 2k0f s ILE 59 CO 0.01 -0.57 0.88 -1.81 -1.91 0.00 0.00 174.94 171.54 2k0f s ASP 60 N 1.92 5.45 0.20 4.50 1.11 -1.26 -0.86 116.67 127.73 2k0f s ASP 60 Ca 0.38 0.54 -0.11 0.00 0.18 0.00 0.00 52.55 53.54 2k0f s ASP 60 Cb -0.12 -1.49 0.13 0.00 1.07 0.00 0.00 42.92 42.51 2k0f s ASP 60 CO 0.20 -1.12 1.82 0.15 1.18 0.00 0.00 175.17 177.40 2k0f h PHE 61 N -0.15 0.94 0.00 4.23 3.57 -1.95 -1.78 116.94 121.79 2k0f h PHE 61 Ca -0.45 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.04 2k0f h PHE 61 Cb 1.27 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.71 2k0f h PHE 61 CO 0.43 0.65 0.00 -2.30 -2.23 0.00 0.00 178.31 174.86 2k0f n PRO 62 N -4.52 0.54 -0.10 6.41 -0.02 -1.26 -0.90 135.00 135.15 2k0f n PRO 62 Ca 0.06 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.33 2k0f n PRO 62 Cb 0.07 -1.29 -0.07 0.00 -0.02 0.00 0.00 33.50 32.19 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k0f n GLU 63 N -0.79 0.44 -0.37 -0.52 1.02 -0.96 -3.31 120.64 116.15 2k0f n GLU 63 Ca 0.07 0.19 -0.02 0.00 -0.02 0.00 0.00 57.16 57.38 2k0f n GLU 63 Cb 0.03 -1.24 0.02 0.00 -0.02 0.00 0.00 31.44 30.23 2k0f n GLU 63 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2k0f n PHE 64 N -3.96 -0.04 -0.17 -0.32 -0.00 -0.71 -0.70 117.46 111.56 2k0f n PHE 64 Ca -0.39 1.16 -0.07 0.00 -0.00 0.00 0.00 57.45 58.15 2k0f n PHE 64 Cb 0.76 -0.81 -0.06 0.00 -0.00 0.00 0.00 39.48 39.37 2k0f n PHE 64 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2k0f h LEU 65 N 0.00 -1.22 -1.67 -2.13 3.38 -1.20 -1.65 115.31 110.83 2k0f h LEU 65 Ca 0.30 0.17 0.10 0.00 0.09 0.00 0.00 57.88 58.55 2k0f h LEU 65 Cb 0.53 0.52 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 2k0f h LEU 65 CO -0.93 -0.19 0.40 0.74 0.09 0.00 0.00 178.44 178.55 2k0f h THR 66 N -0.12 0.88 0.13 0.22 2.02 -1.51 -1.53 112.91 112.99 2k0f h THR 66 Ca 0.07 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 2k0f h THR 66 Cb 0.30 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2k0f h THR 66 CO -0.46 0.07 -0.06 -0.03 0.37 0.00 0.00 175.52 175.40 2k0f h MET 67 N 0.36 -0.16 0.00 6.66 1.85 -0.61 -2.71 114.93 120.32 2k0f h MET 67 Ca 0.27 0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 59.34 2k0f h MET 67 Cb 0.60 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.66 2k0f h MET 67 CO -0.07 0.22 -0.18 0.52 -0.40 0.00 0.00 176.91 176.99 2k0f h MET 68 N -0.58 0.00 0.00 0.39 2.07 -1.22 -3.20 114.93 112.39 2k0f h MET 68 Ca -0.02 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.60 2k0f h MET 68 Cb 0.45 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.18 2k0f h MET 68 CO 0.03 0.18 -0.46 0.00 1.07 0.00 0.00 176.91 177.73 2k0f h ALA 69 N 1.82 0.78 -2.75 6.32 0.00 -1.20 -3.45 119.26 120.77 2k0f h ALA 69 Ca -0.00 -0.05 -0.52 0.00 0.00 0.00 0.00 54.91 54.33 2k0f h ALA 69 Cb 0.37 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.21 2k0f h ALA 69 CO 0.02 0.06 0.70 0.50 0.00 0.00 0.00 179.25 180.53 2k0f s ARG 70 N -3.25 4.33 -0.10 0.00 3.52 -1.03 -5.05 118.95 117.38 2k0f s ARG 70 Ca 0.04 2.20 -0.05 0.00 -0.13 0.00 0.00 55.73 57.79 2k0f s ARG 70 Cb 0.07 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.29 2k0f s ARG 70 CO 0.73 -0.31 0.08 0.15 -0.81 0.00 0.00 175.30 175.14 2k0f s LYS 71 N -0.60 3.24 0.69 5.12 1.02 -1.26 -5.05 119.74 122.90 2k0f s LYS 71 Ca 0.56 -0.26 -0.07 0.00 0.02 0.00 0.00 55.97 56.22 2k0f s LYS 71 Cb -0.40 -3.01 0.05 0.00 -0.52 0.00 0.00 37.83 33.95 2k0f s LYS 71 CO 0.44 0.74 1.00 -1.64 -0.92 0.00 0.00 175.35 174.97 2k0f s MET 72 N -1.03 2.34 0.61 1.68 -1.94 -1.26 -5.12 119.30 114.58 2k0f s MET 72 Ca 0.15 -0.17 -0.06 0.00 -1.71 0.00 0.00 55.69 53.90 2k0f s MET 72 Cb -0.12 -2.17 0.02 0.00 2.01 0.00 0.00 34.83 34.57 2k0f s MET 72 CO 0.04 -1.15 0.91 -1.59 -0.01 0.00 0.00 175.02 173.23 2k0f s LYS 73 N -5.22 2.74 0.14 2.03 -2.85 -1.26 -4.79 119.74 110.53 2k0f s LYS 73 Ca 0.59 -0.11 -0.18 0.00 -1.00 0.00 0.00 55.97 55.27 2k0f s LYS 73 Cb -0.11 -2.27 -0.01 0.00 -2.06 0.00 0.00 37.83 33.39 2k0f s LYS 73 CO 0.45 -0.81 1.77 0.38 0.10 0.00 0.00 175.35 177.24 2k0f h ASP 74 N -0.24 0.22 0.01 0.03 2.03 -1.99 0.60 116.42 117.08 2k0f h ASP 74 Ca -0.45 0.01 0.01 0.00 -0.73 0.00 0.00 57.03 55.87 2k0f h ASP 74 Cb 1.27 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 2k0f h ASP 74 CO 0.60 0.17 -0.06 0.74 -1.03 0.00 0.00 179.24 179.65 2k0f h THR 75 N 0.31 0.84 -0.20 1.15 2.02 -1.98 0.75 112.91 115.80 2k0f h THR 75 Ca 0.12 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.17 2k0f h THR 75 Cb 0.03 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2k0f h THR 75 CO -0.08 0.00 -0.41 0.44 0.37 0.00 0.00 175.52 175.84 2k0f h ASP 76 N -0.12 0.50 -0.18 4.18 5.19 -1.89 -1.61 116.42 122.49 2k0f h ASP 76 Ca 0.02 -0.22 -0.15 0.00 -0.62 0.00 0.00 57.03 56.07 2k0f h ASP 76 Cb 0.14 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.52 2k0f h ASP 76 CO -0.06 0.85 -0.46 -1.28 -3.12 0.00 0.00 179.24 175.18 2k0f h SER 77 N 0.39 0.72 1.05 6.45 0.87 0.65 -1.80 113.55 121.88 2k0f h SER 77 Ca 0.03 -0.57 -0.06 0.00 -1.23 0.00 0.00 61.79 59.96 2k0f h SER 77 Cb 0.88 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 2k0f h SER 77 CO 0.07 1.16 -0.31 -0.33 -0.53 0.00 0.00 176.83 176.90 2k0f h GLU 78 N 0.31 0.00 -0.15 2.24 4.39 -0.85 -3.07 114.58 117.45 2k0f h GLU 78 Ca -0.01 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2k0f h GLU 78 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2k0f h GLU 78 CO 0.10 0.31 -0.32 1.49 -1.16 0.00 0.00 179.01 179.42 2k0f h GLU 79 N 0.00 0.48 -0.27 2.33 4.57 -1.30 -3.32 114.58 117.06 2k0f h GLU 79 Ca -0.00 -0.32 0.03 0.00 -1.18 0.00 0.00 59.36 57.89 2k0f h GLU 79 Cb 0.91 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.52 2k0f h GLU 79 CO 0.04 0.92 0.08 1.49 -1.18 0.00 0.00 179.01 180.37 2k0f h GLU 80 N 0.09 0.20 -0.43 1.92 4.22 -1.24 -0.84 114.58 118.49 2k0f h GLU 80 Ca 0.00 -0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.33 2k0f h GLU 80 Cb 0.92 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 2k0f h GLU 80 CO 0.07 0.13 -0.14 0.97 -2.18 0.00 0.00 179.01 177.86 2k0f h ILE 81 N 0.20 1.26 -0.84 2.32 6.09 -1.72 0.16 117.51 124.98 2k0f h ILE 81 Ca 0.12 -1.23 -0.03 0.00 -1.37 0.00 0.00 64.86 62.36 2k0f h ILE 81 Cb 0.10 1.08 -0.04 0.00 0.47 0.00 0.00 36.82 38.43 2k0f h ILE 81 CO -0.14 0.42 0.42 0.03 -3.07 0.00 0.00 178.15 175.81 2k0f h ARG 82 N 0.72 1.20 0.00 2.19 3.08 -1.61 0.24 114.38 120.21 2k0f h ARG 82 Ca 0.11 -0.16 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 2k0f h ARG 82 Cb 0.64 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 2k0f h ARG 82 CO 0.04 0.91 -0.94 0.93 -1.07 0.00 0.00 179.97 179.84 2k0f h GLU 83 N 1.19 0.00 -0.11 0.04 4.39 -0.89 -0.19 114.58 119.02 2k0f h GLU 83 Ca 0.29 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.95 2k0f h GLU 83 Cb 0.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2k0f h GLU 83 CO -0.04 0.58 -0.10 0.00 -1.16 0.00 0.00 179.01 178.30 2k0f h ALA 84 N 1.31 0.16 -0.70 3.43 0.00 -0.66 -2.49 119.26 120.31 2k0f h ALA 84 Ca -0.07 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.62 2k0f h ALA 84 Cb 1.59 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 2k0f h ALA 84 CO 0.08 -0.01 0.46 0.35 0.00 0.00 0.00 179.25 180.13 2k0f h PHE 85 N -0.14 0.69 -0.15 0.00 3.57 -0.89 -1.56 116.94 118.46 2k0f h PHE 85 Ca 0.02 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2k0f h PHE 85 Cb 0.60 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2k0f h PHE 85 CO 0.08 0.35 0.00 -0.09 -2.23 0.00 0.00 178.31 176.43 2k0f h ARG 86 N 0.67 0.26 0.00 1.11 2.43 -1.05 -2.72 114.38 115.08 2k0f h ARG 86 Ca 0.31 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2k0f h ARG 86 Cb 0.34 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2k0f h ARG 86 CO -0.10 0.48 -0.08 1.55 -1.51 0.00 0.00 179.97 180.31 2k0f n VAL 87 N -4.76 0.57 0.13 0.20 3.14 -0.94 -3.28 118.33 113.39 2k0f n VAL 87 Ca -0.05 -0.29 -0.10 0.00 -2.96 0.00 0.00 64.34 60.94 2k0f n VAL 87 Cb 0.21 -0.53 -0.06 0.00 -1.06 0.00 0.00 33.84 32.40 2k0f n VAL 87 CO 0.00 0.00 0.00 0.15 -6.46 0.00 0.00 176.83 170.52 2k0f h PHE 88 N 0.00 -0.37 -3.83 1.45 3.04 -1.32 -3.46 116.94 112.44 2k0f h PHE 88 Ca 0.00 -0.01 -0.54 0.00 3.98 0.00 0.00 57.97 61.40 2k0f h PHE 88 Cb 0.74 0.12 0.11 0.00 2.56 0.00 0.00 35.95 39.48 2k0f h PHE 88 CO 0.00 -0.07 0.78 -3.47 -2.02 0.00 0.00 178.31 173.53 2k0f n ASP 89 N -5.05 3.77 0.06 0.41 -0.08 -1.03 -4.83 116.55 109.80 2k0f n ASP 89 Ca -0.07 1.22 -0.10 0.00 -1.51 0.00 0.00 54.79 54.32 2k0f n ASP 89 Cb 0.24 -1.61 0.00 0.00 2.34 0.00 0.00 41.12 42.09 2k0f n ASP 89 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2k0f h LYS 90 N 3.11 0.36 0.06 -0.67 1.63 -1.89 -3.33 116.57 115.84 2k0f h LYS 90 Ca -0.50 -0.33 -0.36 0.00 -0.85 0.00 0.00 60.65 58.60 2k0f h LYS 90 Cb 1.24 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.92 2k0f h LYS 90 CO 0.65 1.00 -2.06 -0.25 -3.45 0.00 0.00 179.45 175.34 2k0f n ASP 91 N -3.78 2.02 0.00 4.20 8.00 -1.26 -4.99 116.55 120.75 2k0f n ASP 91 Ca -0.05 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2k0f n ASP 91 Cb 0.76 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2k0f n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 92 N 1.88 1.45 0.08 0.44 0.00 -1.25 -5.04 105.19 102.75 2k0f n GLY 92 Ca -0.38 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.09 0.00 1.61 -1.07 -1.90 -3.48 115.58 110.82 2k0f h ASN 93 Ca 0.00 -0.97 0.00 0.00 0.07 0.00 0.00 56.30 55.40 2k0f h ASN 93 Cb 0.00 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 36.22 2k0f h ASN 93 CO 0.00 1.09 0.00 0.61 0.07 0.00 0.00 177.43 179.20 2k0f n GLY 94 N 1.62 1.01 2.80 9.14 0.00 -1.26 -5.09 105.19 113.40 2k0f n GLY 94 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.47 -0.22 1.61 2.02 -1.26 -4.32 117.35 112.71 2k0f s TYR 95 Ca 0.00 -0.53 -0.14 0.00 -0.37 0.00 0.00 57.07 56.03 2k0f s TYR 95 Cb 0.00 -0.36 -0.04 0.00 -0.40 0.00 0.00 41.96 41.16 2k0f s TYR 95 CO 0.00 -0.97 0.33 0.42 -1.57 0.00 0.00 175.55 173.76 2k0f s ILE 96 N 1.74 5.24 0.00 2.71 1.01 -0.88 -4.87 121.20 126.15 2k0f s ILE 96 Ca 0.15 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.34 2k0f s ILE 96 Cb -0.14 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.67 2k0f s ILE 96 CO -0.12 0.27 0.00 -1.54 0.00 0.00 0.00 174.94 173.55 2k0f n SER 97 N 4.53 0.00 0.18 3.58 3.41 -1.26 -0.96 113.62 123.09 2k0f n SER 97 Ca -0.10 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.37 2k0f n SER 97 Cb 0.51 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.38 2k0f n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k0f h ALA 98 N 1.15 -0.43 -0.45 7.33 0.00 -1.95 -3.09 119.26 121.81 2k0f h ALA 98 Ca 0.00 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.84 2k0f h ALA 98 Cb 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.86 2k0f h ALA 98 CO 0.00 -0.66 -0.41 0.00 0.00 0.00 0.00 179.25 178.18 2k0f h ALA 99 N 0.01 -0.35 -0.74 0.00 0.00 -1.98 -1.50 119.26 114.70 2k0f h ALA 99 Ca -0.04 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.04 2k0f h ALA 99 Cb 0.44 0.88 -0.11 0.00 0.00 0.00 0.00 17.79 18.99 2k0f h ALA 99 CO 0.07 -0.83 -0.52 0.93 0.00 0.00 0.00 179.25 178.91 2k0f h GLU 100 N -0.29 -0.15 -0.32 0.00 3.07 -1.88 -1.99 114.58 113.02 2k0f h GLU 100 Ca 0.16 0.01 -0.15 0.00 -0.50 0.00 0.00 59.36 58.87 2k0f h GLU 100 Cb 0.57 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.51 2k0f h GLU 100 CO -0.60 -0.10 -0.40 -0.07 -1.40 0.00 0.00 179.01 176.44 2k0f h LEU 101 N -0.16 0.91 -0.55 1.33 3.38 -1.33 -0.04 115.31 118.86 2k0f h LEU 101 Ca 0.17 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2k0f h LEU 101 Cb 0.52 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2k0f h LEU 101 CO -0.79 1.22 0.00 0.03 0.09 0.00 0.00 178.44 178.98 2k0f h ARG 102 N 0.62 0.00 0.00 1.13 3.08 -1.26 -1.82 114.38 116.13 2k0f h ARG 102 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2k0f h ARG 102 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 2k0f h ARG 102 CO 0.10 0.00 0.00 1.58 -1.07 0.00 0.00 179.97 180.58 2k0f n HIS 103 N -2.41 0.00 -0.27 3.04 -0.00 -0.75 -4.39 115.22 110.44 2k0f n HIS 103 Ca 0.03 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.28 2k0f n HIS 103 Cb 0.32 -0.09 0.21 0.00 -0.12 0.00 0.00 29.99 30.31 2k0f n HIS 103 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2k0f h VAL 104 N 0.00 0.55 0.00 3.57 2.07 -1.00 -2.92 116.25 118.52 2k0f h VAL 104 Ca 0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2k0f h VAL 104 Cb 0.00 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 29.93 2k0f h VAL 104 CO 0.00 0.07 -0.46 0.24 0.02 0.00 0.00 177.57 177.44 2k0f h MET 105 N 0.36 0.00 -0.50 1.57 2.86 -1.56 -1.23 114.93 116.44 2k0f h MET 105 Ca 0.45 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 58.03 2k0f h MET 105 Cb 0.77 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 2k0f h MET 105 CO -0.48 0.04 0.08 1.15 1.06 0.00 0.00 176.91 178.76 2k0f h THR 106 N 0.00 1.25 0.00 2.22 2.02 -1.71 0.15 112.91 116.84 2k0f h THR 106 Ca -0.01 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.24 2k0f h THR 106 Cb 1.05 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2k0f h THR 106 CO 0.01 0.33 -0.64 0.78 0.37 0.00 0.00 175.52 176.37 2k0f h ASN 107 N 0.71 0.00 0.30 4.18 2.35 -1.38 -2.32 115.58 119.42 2k0f h ASN 107 Ca 0.15 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2k0f h ASN 107 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2k0f h ASN 107 CO 0.01 0.02 -0.14 -0.07 -1.65 0.00 0.00 177.43 175.60 2k0f h LEU 108 N 0.00 -0.34 0.00 1.61 3.38 -1.27 -3.40 115.31 115.29 2k0f h LEU 108 Ca 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2k0f h LEU 108 Cb 0.93 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2k0f h LEU 108 CO 0.00 -0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.10 2k0f n GLY 109 N -0.56 0.88 3.92 0.83 0.00 -0.87 -4.72 105.19 104.67 2k0f n GLY 109 Ca -0.10 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 3.52 -1.34 1.61 0.41 0.49 -4.98 118.70 118.41 2k0f s GLU 110 Ca 0.00 -0.33 -0.11 0.00 -0.41 0.00 0.00 54.97 54.13 2k0f s GLU 110 Cb 0.00 -2.90 0.13 0.00 -1.78 0.00 0.00 34.13 29.57 2k0f s GLU 110 CO 0.00 0.48 2.01 1.63 -0.49 0.00 0.00 175.26 178.89 2k0f n LYS 111 N -0.22 3.42 -2.53 1.61 5.02 -1.26 -4.42 118.16 119.78 2k0f n LYS 111 Ca -0.04 -3.24 -0.43 0.00 -2.02 0.00 0.00 58.31 52.58 2k0f n LYS 111 Cb 0.53 -3.02 -0.02 0.00 -0.02 0.00 0.00 35.03 32.49 2k0f n LYS 111 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2k0f s LEU 112 N 0.50 4.10 0.00 -0.35 2.96 -1.26 -5.03 118.68 119.60 2k0f s LEU 112 Ca 0.42 1.47 0.03 0.00 -0.22 0.00 0.00 54.13 55.84 2k0f s LEU 112 Cb 0.11 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.32 2k0f s LEU 112 CO -0.03 -0.77 0.44 0.35 -1.32 0.00 0.00 176.35 175.03 2k0f n THR 113 N 5.48 0.00 0.12 3.68 -2.24 -1.26 -5.01 114.28 115.04 2k0f n THR 113 Ca 0.13 -0.90 0.11 0.00 -2.27 0.00 0.00 64.05 61.12 2k0f n THR 113 Cb 0.46 -0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 67.75 2k0f n THR 113 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k0f n ASP 114 N -2.78 0.66 -0.02 3.42 8.00 -1.26 -3.73 116.55 120.85 2k0f n ASP 114 Ca 0.08 0.23 -0.09 0.00 0.71 0.00 0.00 54.79 55.72 2k0f n ASP 114 Cb 0.30 0.78 0.06 0.00 -0.02 0.00 0.00 41.12 42.25 2k0f n ASP 114 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2k0f h GLU 115 N 0.00 0.61 -0.42 -1.24 5.08 -1.99 -2.28 114.58 114.34 2k0f h GLU 115 Ca 0.00 -0.35 -0.12 0.00 -1.00 0.00 0.00 59.36 57.89 2k0f h GLU 115 Cb 0.98 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2k0f h GLU 115 CO 0.00 0.95 -0.23 0.93 -1.00 0.00 0.00 179.01 179.66 2k0f h GLU 116 N 0.49 0.84 -0.05 2.33 4.39 -1.98 -2.44 114.58 118.16 2k0f h GLU 116 Ca 0.03 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.36 2k0f h GLU 116 Cb 1.01 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.62 2k0f h GLU 116 CO 0.09 0.99 -0.02 0.28 -1.16 0.00 0.00 179.01 179.19 2k0f h VAL 117 N 0.73 1.32 0.14 3.13 2.07 -1.60 -2.85 116.25 119.18 2k0f h VAL 117 Ca 0.10 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.65 2k0f h VAL 117 Cb 0.77 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 2k0f h VAL 117 CO 0.06 0.27 -0.43 -0.78 0.02 0.00 0.00 177.57 176.72 2k0f h ASP 118 N -0.27 -1.25 -0.03 0.57 3.58 -1.41 -1.60 116.42 116.01 2k0f h ASP 118 Ca 0.01 0.14 0.01 0.00 0.42 0.00 0.00 57.03 57.61 2k0f h ASP 118 Cb 0.44 0.47 -0.00 0.00 1.72 0.00 0.00 39.33 41.96 2k0f h ASP 118 CO 0.01 -0.50 0.07 -0.08 -2.88 0.00 0.00 179.24 175.86 2k0f h GLU 119 N -0.67 0.00 0.03 0.28 4.81 -1.48 -1.02 114.58 116.53 2k0f h GLU 119 Ca 0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2k0f h GLU 119 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2k0f h GLU 119 CO -0.23 0.00 -0.01 0.52 -0.73 0.00 0.00 179.01 178.55 2k0f h MET 120 N 0.00 -0.04 -0.91 1.92 2.86 -1.23 -2.99 114.93 114.54 2k0f h MET 120 Ca 0.01 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 2k0f h MET 120 Cb 0.16 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.77 2k0f h MET 120 CO -0.00 0.35 0.59 0.82 1.06 0.00 0.00 176.91 179.72 2k0f h ILE 121 N -0.99 1.12 -0.59 -1.22 2.04 -0.95 -0.54 117.51 116.38 2k0f h ILE 121 Ca -0.00 -0.38 0.08 0.00 1.00 0.00 0.00 64.86 65.56 2k0f h ILE 121 Cb 0.40 -0.09 -0.10 0.00 -0.74 0.00 0.00 36.82 36.29 2k0f h ILE 121 CO 0.01 0.20 -0.46 -0.09 0.00 0.00 0.00 178.15 177.81 2k0f h ARG 122 N 1.11 -0.23 -0.60 2.37 2.43 -1.31 -0.89 114.38 117.26 2k0f h ARG 122 Ca 0.38 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2k0f h ARG 122 Cb 0.06 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 2k0f h ARG 122 CO -0.14 -0.15 0.38 1.49 -1.51 0.00 0.00 179.97 180.04 2k0f h GLU 123 N -0.23 0.80 0.00 0.20 4.81 -1.31 -3.36 114.58 115.49 2k0f h GLU 123 Ca 0.17 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.17 2k0f h GLU 123 Cb 0.56 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2k0f h GLU 123 CO -0.70 0.56 -0.85 0.00 -0.73 0.00 0.00 179.01 177.29 2k0f h ALA 124 N 1.20 0.52 -2.52 2.92 0.00 -0.46 -3.42 119.26 117.49 2k0f h ALA 124 Ca 0.22 -0.75 -0.58 0.00 0.00 0.00 0.00 54.91 53.80 2k0f h ALA 124 Cb -0.05 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 2k0f h ALA 124 CO -0.04 0.99 0.23 0.34 0.00 0.00 0.00 179.25 180.77 2k0f s ASP 125 N -6.53 6.87 -0.22 0.00 2.15 -0.40 -4.77 116.67 113.78 2k0f s ASP 125 Ca 0.02 1.06 -0.19 0.00 0.43 0.00 0.00 52.55 53.87 2k0f s ASP 125 Cb 0.09 -2.41 -0.17 0.00 -0.30 0.00 0.00 42.92 40.13 2k0f s ASP 125 CO 0.79 -0.29 0.08 -0.38 -0.17 0.00 0.00 175.17 175.20 2k0f n ILE 126 N 4.49 1.53 0.01 4.11 5.41 -1.26 -4.82 119.36 128.83 2k0f n ILE 126 Ca 0.01 -0.07 -0.01 0.00 1.00 0.00 0.00 62.75 63.68 2k0f n ILE 126 Cb 0.50 -2.04 -0.00 0.00 -0.71 0.00 0.00 39.64 37.38 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -1.00 -0.05 0.00 4.38 3.04 -1.95 -3.49 116.42 117.35 2k0f h ASP 127 Ca -0.38 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.41 2k0f h ASP 127 Cb 1.30 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 39.61 2k0f h ASP 127 CO -0.23 0.08 0.00 0.61 -2.04 0.00 0.00 179.24 177.65 2k0f n GLY 128 N 1.41 0.00 0.11 7.15 0.00 -1.26 -5.06 105.19 107.54 2k0f n GLY 128 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 1.01 0.00 1.61 5.68 -1.26 -4.98 116.55 118.61 2k0f n ASP 129 Ca 0.00 0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 2k0f n ASP 129 Cb 0.00 0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 130 N 1.81 0.86 3.30 6.12 0.00 -1.26 -5.07 105.19 110.95 2k0f n GLY 130 Ca -0.30 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 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 3.21 -0.56 1.61 -1.52 -1.26 -4.60 119.66 115.87 2k0f s GLN 131 Ca 0.00 -0.74 -0.27 0.00 -1.95 0.00 0.00 55.36 52.40 2k0f s GLN 131 Cb 0.00 -3.08 -0.02 0.00 -0.22 0.00 0.00 33.01 29.69 2k0f s GLN 131 CO 0.00 -0.29 1.82 0.08 -0.25 0.00 0.00 175.29 176.65 2k0f s VAL 132 N 1.45 3.41 0.55 1.09 1.01 -0.14 -4.82 120.40 122.96 2k0f s VAL 132 Ca 0.04 0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.24 2k0f s VAL 132 Cb -0.15 -3.92 0.12 0.00 0.00 0.00 0.00 36.38 32.43 2k0f s VAL 132 CO -0.02 -0.84 0.76 -0.46 0.00 0.00 0.00 175.10 174.53 2k0f n ASN 133 N 12.13 0.32 -0.20 3.32 0.23 -1.26 -2.08 115.26 127.72 2k0f n ASN 133 Ca 0.20 -1.43 -0.01 0.00 -0.53 0.00 0.00 54.58 52.81 2k0f n ASN 133 Cb 0.51 -0.55 0.10 0.00 -2.08 0.00 0.00 39.78 37.75 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 -1.16 0.41 0.85 -2.53 3.20 -1.95 -0.51 116.97 115.27 2k0f h TYR 134 Ca -0.25 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.61 2k0f h TYR 134 Cb 0.74 -0.09 0.01 0.00 1.54 0.00 0.00 36.73 38.92 2k0f h TYR 134 CO 0.00 0.12 -0.41 1.49 -1.64 0.00 0.00 178.16 177.73 2k0f h GLU 135 N 0.43 -1.10 -0.59 1.82 4.81 -1.97 -2.59 114.58 115.39 2k0f h GLU 135 Ca 0.29 0.07 0.12 0.00 -0.13 0.00 0.00 59.36 59.72 2k0f h GLU 135 Cb 0.34 0.25 -0.11 0.00 0.63 0.00 0.00 28.75 29.86 2k0f h GLU 135 CO -0.28 -0.72 -0.13 0.93 -0.73 0.00 0.00 179.01 178.08 2k0f h GLU 136 N -1.24 0.01 -0.19 1.92 5.08 -1.86 0.11 114.58 118.42 2k0f h GLU 136 Ca -0.12 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2k0f h GLU 136 Cb 0.88 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 2k0f h GLU 136 CO 0.19 0.01 0.01 0.35 -1.00 0.00 0.00 179.01 178.57 2k0f h PHE 137 N 0.01 0.02 -0.14 4.33 3.57 -1.14 -0.76 116.94 122.84 2k0f h PHE 137 Ca 0.29 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 2k0f h PHE 137 Cb 0.44 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 2k0f h PHE 137 CO -0.47 -0.01 0.08 0.28 -2.23 0.00 0.00 178.31 175.96 2k0f h VAL 138 N 0.08 1.06 -0.00 1.41 2.07 -1.16 -2.89 116.25 116.82 2k0f h VAL 138 Ca 0.09 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2k0f h VAL 138 Cb 0.10 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2k0f h VAL 138 CO -0.14 0.05 -0.06 -0.61 0.02 0.00 0.00 177.57 176.83 2k0f h GLN 139 N 0.16 0.00 -0.61 1.57 4.15 -0.88 0.35 115.11 119.86 2k0f h GLN 139 Ca 0.05 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2k0f h GLN 139 Cb 0.02 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 2k0f h GLN 139 CO -0.01 0.07 0.39 1.98 -1.93 0.00 0.00 178.83 179.33 2k0f h MET 140 N 0.00 0.81 0.12 1.69 4.05 -0.92 -3.16 114.93 117.52 2k0f h MET 140 Ca -0.00 -0.05 -0.29 0.00 -0.28 0.00 0.00 59.70 59.07 2k0f h MET 140 Cb 0.12 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 30.73 2k0f h MET 140 CO 0.01 0.55 -1.49 0.52 0.23 0.00 0.00 176.91 176.72 2k0f h MET 141 N 0.83 0.26 0.00 0.39 2.86 -0.70 -3.51 114.93 115.05 2k0f h MET 141 Ca 0.22 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2k0f h MET 141 Cb -0.07 0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2k0f h MET 141 CO -0.05 1.21 0.00 0.25 1.06 0.00 0.00 176.91 179.38