#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 0.00 -0.11 1.09 4.39 -2.05 -1.30 114.58 116.60 2k0f h GLU 2 Ca 0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 2k0f h GLU 2 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2k0f h GLU 2 CO 0.00 0.01 -0.48 0.93 -1.16 0.00 0.00 179.01 178.31 2k0f h GLU 3 N 0.00 0.28 0.00 2.33 5.08 -2.06 -0.67 114.58 119.54 2k0f h GLU 3 Ca -0.00 -0.15 -0.30 0.00 -1.00 0.00 0.00 59.36 57.91 2k0f h GLU 3 Cb 0.05 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 2k0f h GLU 3 CO 0.00 0.70 -1.90 1.04 -1.00 0.00 0.00 179.01 177.86 2k0f n GLN 4 N -3.97 0.65 -0.11 2.33 6.02 -0.52 -2.60 117.38 119.18 2k0f n GLN 4 Ca -0.02 0.18 -0.05 0.00 -0.01 0.00 0.00 57.00 57.10 2k0f n GLN 4 Cb 0.54 -1.70 0.02 0.00 1.02 0.00 0.00 30.24 30.11 2k0f n GLN 4 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2k0f h ILE 5 N 0.00 0.67 -0.64 5.09 1.08 -1.52 -3.05 117.51 119.14 2k0f h ILE 5 Ca -0.35 -0.02 0.08 0.00 -0.39 0.00 0.00 64.86 64.18 2k0f h ILE 5 Cb 2.02 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 36.33 2k0f h ILE 5 CO 0.06 0.01 0.42 0.00 -0.69 0.00 0.00 178.15 177.95 2k0f h ALA 6 N 1.36 1.86 -0.68 1.87 0.00 -0.92 0.20 119.26 122.94 2k0f h ALA 6 Ca 0.19 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.15 2k0f h ALA 6 Cb 0.28 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 2k0f h ALA 6 CO -0.35 0.02 0.37 0.93 0.00 0.00 0.00 179.25 180.22 2k0f h GLU 7 N 0.56 0.65 0.00 0.00 5.08 -1.40 0.23 114.58 119.71 2k0f h GLU 7 Ca 0.29 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.44 2k0f h GLU 7 Cb 0.39 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2k0f h GLU 7 CO -0.09 0.43 -0.81 0.74 -1.00 0.00 0.00 179.01 178.28 2k0f h PHE 8 N 0.67 0.00 -0.73 4.33 0.04 -1.37 -2.67 116.94 117.21 2k0f h PHE 8 Ca 0.31 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.04 2k0f h PHE 8 Cb 0.23 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 2k0f h PHE 8 CO -0.08 0.81 0.27 -0.22 -0.60 0.00 0.00 178.31 178.49 2k0f h LYS 9 N 0.00 1.10 -0.30 1.51 1.63 -0.17 0.83 116.57 121.17 2k0f h LYS 9 Ca -0.01 -0.21 -0.18 0.00 -0.85 0.00 0.00 60.65 59.40 2k0f h LYS 9 Cb 1.46 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2k0f h LYS 9 CO 0.11 0.91 -0.52 0.93 -3.45 0.00 0.00 179.45 177.43 2k0f h GLU 10 N 1.05 0.86 -0.38 1.90 4.39 -1.03 -1.48 114.58 119.89 2k0f h GLU 10 Ca 0.24 -0.53 -0.04 0.00 0.34 0.00 0.00 59.36 59.37 2k0f h GLU 10 Cb 0.24 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 2k0f h GLU 10 CO -0.02 1.17 0.07 0.00 -1.16 0.00 0.00 179.01 179.07 2k0f h ALA 11 N 0.73 0.51 -0.69 3.43 0.00 -1.27 -3.12 119.26 118.86 2k0f h ALA 11 Ca 0.02 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 54.87 2k0f h ALA 11 Cb 1.12 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.64 2k0f h ALA 11 CO 0.12 0.21 -0.07 0.35 0.00 0.00 0.00 179.25 179.86 2k0f h PHE 12 N 0.48 -0.18 -1.07 0.00 3.04 -0.76 -2.49 116.94 115.96 2k0f h PHE 12 Ca 0.12 0.06 0.29 0.00 3.98 0.00 0.00 57.97 62.41 2k0f h PHE 12 Cb 0.36 0.19 -0.07 0.00 2.56 0.00 0.00 35.95 38.98 2k0f h PHE 12 CO 0.02 -0.25 0.72 0.77 -2.02 0.00 0.00 178.31 177.56 2k0f h SER 13 N 0.06 0.27 0.44 0.41 0.02 -1.20 -2.07 113.55 111.48 2k0f h SER 13 Ca 0.35 0.05 -0.27 0.00 -0.84 0.00 0.00 61.79 61.09 2k0f h SER 13 Cb 0.58 0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.14 2k0f h SER 13 CO -0.65 0.05 -1.16 -0.07 -1.14 0.00 0.00 176.83 173.86 2k0f h LEU 14 N 0.24 0.55 0.03 5.07 3.38 -1.50 -3.37 115.31 119.70 2k0f h LEU 14 Ca 0.57 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k0f h LEU 14 Cb 1.75 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.33 2k0f h LEU 14 CO -0.18 1.37 -0.01 -0.26 0.09 0.00 0.00 178.44 179.44 2k0f h PHE 15 N 0.16 -0.03 -1.27 1.13 0.04 -1.47 -3.41 116.94 112.08 2k0f h PHE 15 Ca -0.13 -0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.28 2k0f h PHE 15 Cb 1.85 0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.98 2k0f h PHE 15 CO 0.07 0.48 1.00 0.34 -0.60 0.00 0.00 178.31 179.61 2k0f s ASP 16 N -5.69 4.97 0.45 2.17 2.15 -0.82 -4.60 116.67 115.30 2k0f s ASP 16 Ca -0.16 -0.00 0.25 0.00 0.43 0.00 0.00 52.55 53.07 2k0f s ASP 16 Cb 0.01 -2.54 0.94 0.00 -0.30 0.00 0.00 42.92 41.04 2k0f s ASP 16 CO 0.65 -2.74 1.83 0.11 -0.17 0.00 0.00 175.17 174.85 2k0f h LYS 17 N 13.82 0.00 0.00 4.34 1.79 -1.82 -3.37 116.57 131.33 2k0f h LYS 17 Ca -0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2k0f h LYS 17 Cb 1.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 2k0f h LYS 17 CO 1.19 0.19 0.00 -0.40 -1.08 0.00 0.00 179.45 179.35 2k0f n ASP 18 N -3.34 0.00 0.00 0.86 5.68 -1.26 -5.06 116.55 113.43 2k0f n ASP 18 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2k0f n ASP 18 Cb 0.42 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 19 N 2.13 0.03 0.08 6.12 0.00 -1.26 -5.05 105.19 107.25 2k0f n GLY 19 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 0.00 0.58 0.00 1.61 5.68 -1.26 -5.01 116.55 118.15 2k0f n ASP 20 Ca 0.00 0.24 0.00 0.00 -0.50 0.00 0.00 54.79 54.53 2k0f n ASP 20 Cb 0.00 0.79 0.00 0.00 -1.14 0.00 0.00 41.12 40.77 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 1.31 0.77 2.98 6.12 0.00 -1.26 -5.05 105.19 110.06 2k0f n GLY 21 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.19 1.10 -0.22 2.61 -4.23 -1.26 -4.26 115.64 107.20 2k0f s THR 22 Ca 0.00 -0.42 -0.14 0.00 -1.18 0.00 0.00 61.69 59.95 2k0f s THR 22 Cb 0.00 -1.05 -0.04 0.00 1.34 0.00 0.00 72.50 72.75 2k0f s THR 22 CO 0.00 0.36 0.33 -0.63 -0.54 0.00 0.00 174.62 174.14 2k0f s ILE 23 N 1.04 5.24 0.33 2.99 1.01 -0.25 -4.90 121.20 126.67 2k0f s ILE 23 Ca -0.07 0.54 0.05 0.00 0.00 0.00 0.00 60.65 61.17 2k0f s ILE 23 Cb -0.15 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 2k0f s ILE 23 CO -0.01 0.27 0.47 0.42 0.00 0.00 0.00 174.94 176.09 2k0f s THR 24 N 1.34 4.36 0.26 2.92 -4.23 -1.26 -2.60 115.64 116.42 2k0f s THR 24 Ca 0.15 -0.92 -0.03 0.00 -1.18 0.00 0.00 61.69 59.71 2k0f s THR 24 Cb -0.15 -3.53 0.24 0.00 1.34 0.00 0.00 72.50 70.40 2k0f s THR 24 CO 0.07 -0.23 1.85 0.71 -0.54 0.00 0.00 174.62 176.48 2k0f h THR 25 N 0.89 1.01 -0.37 3.99 1.35 -1.92 0.87 112.91 118.73 2k0f h THR 25 Ca -0.47 -0.34 0.04 0.00 -0.55 0.00 0.00 66.41 65.08 2k0f h THR 25 Cb 1.25 -0.08 -0.05 0.00 -1.73 0.00 0.00 68.15 67.54 2k0f h THR 25 CO 0.55 0.18 -0.31 0.11 -0.25 0.00 0.00 175.52 175.81 2k0f h LYS 26 N 1.00 -0.11 -0.38 4.72 1.57 -1.97 -0.69 116.57 120.71 2k0f h LYS 26 Ca 0.42 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.26 2k0f h LYS 26 Cb 0.26 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 2k0f h LYS 26 CO -0.20 -0.07 0.07 0.93 -0.57 0.00 0.00 179.45 179.60 2k0f h GLU 27 N -0.11 0.19 -1.00 3.15 5.08 -1.82 -0.10 114.58 119.96 2k0f h GLU 27 Ca 0.06 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.51 2k0f h GLU 27 Cb 0.27 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 2k0f h GLU 27 CO -0.41 0.12 0.64 1.25 -1.00 0.00 0.00 179.01 179.61 2k0f h LEU 28 N 0.19 0.96 -0.47 1.33 5.85 -0.91 -2.88 115.31 119.39 2k0f h LEU 28 Ca 0.18 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 2k0f h LEU 28 Cb 0.22 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2k0f h LEU 28 CO -0.24 0.55 0.18 1.23 -0.34 0.00 0.00 178.44 179.81 2k0f h GLY 29 N 1.05 0.76 0.42 3.75 0.00 -0.53 -3.07 103.07 105.45 2k0f h GLY 29 Ca 0.47 -0.42 0.21 0.00 0.00 0.00 0.00 47.33 47.59 2k0f h GLY 29 CO -0.23 0.40 0.57 -0.84 0.00 0.00 0.00 176.54 176.43 2k0f h THR 30 N 0.61 0.66 0.15 4.70 2.02 -0.83 0.14 112.91 120.37 2k0f h THR 30 Ca 0.15 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 2k0f h THR 30 Cb 0.21 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 2k0f h THR 30 CO -0.01 0.04 -0.07 0.58 0.37 0.00 0.00 175.52 176.43 2k0f h VAL 31 N 0.23 0.99 -0.26 3.16 2.07 -1.42 -2.18 116.25 118.84 2k0f h VAL 31 Ca 0.41 -0.89 0.06 0.00 0.82 0.00 0.00 66.70 67.10 2k0f h VAL 31 Cb 1.26 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 32.49 2k0f h VAL 31 CO -0.10 0.20 -0.09 0.24 0.02 0.00 0.00 177.57 177.84 2k0f h MET 32 N -0.65 -0.04 -0.18 1.57 2.86 -1.40 -1.71 114.93 115.38 2k0f h MET 32 Ca -0.02 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2k0f h MET 32 Cb 0.48 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 2k0f h MET 32 CO 0.03 -0.02 0.14 0.00 1.06 0.00 0.00 176.91 178.12 2k0f h ARG 33 N -0.04 0.00 -0.26 1.72 3.08 -0.62 0.15 114.38 118.41 2k0f h ARG 33 Ca 0.13 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.09 2k0f h ARG 33 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 2k0f h ARG 33 CO -0.29 0.00 -0.21 1.03 -1.07 0.00 0.00 179.97 179.43 2k0f h SER 34 N 0.00 0.63 0.56 7.04 0.87 -0.63 -2.68 113.55 119.33 2k0f h SER 34 Ca 0.08 -0.45 -0.03 0.00 -1.23 0.00 0.00 61.79 60.16 2k0f h SER 34 Cb 0.37 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.16 2k0f h SER 34 CO -0.00 0.95 -0.27 0.25 -0.53 0.00 0.00 176.83 177.23 2k0f h LEU 35 N 0.32 -0.63 0.00 2.23 5.85 -1.27 -3.48 115.31 118.33 2k0f h LEU 35 Ca 0.05 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2k0f h LEU 35 Cb 0.75 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.94 2k0f h LEU 35 CO 0.05 -0.37 0.00 0.61 -0.34 0.00 0.00 178.44 178.39 2k0f n GLY 36 N -1.09 0.08 2.98 3.75 0.00 -0.02 -5.13 105.19 105.76 2k0f n GLY 36 Ca -0.12 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 0.32 -0.35 1.61 -0.21 -0.82 -4.94 119.66 115.27 2k0f s GLN 37 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 55.36 54.84 2k0f s GLN 37 Cb 0.00 -0.00 0.14 0.00 1.00 0.00 0.00 33.01 34.14 2k0f s GLN 37 CO 0.00 -0.02 0.23 -0.80 -2.12 0.00 0.00 175.29 172.58 2k0f s ASN 38 N -1.25 2.72 0.77 5.90 0.01 -1.26 -2.98 114.94 118.86 2k0f s ASN 38 Ca -0.12 -1.97 -0.00 0.00 -0.71 0.00 0.00 52.86 50.05 2k0f s ASN 38 Cb -0.08 -0.23 0.01 0.00 0.41 0.00 0.00 41.25 41.36 2k0f s ASN 38 CO -0.01 -0.32 0.05 -0.81 -1.51 0.00 0.00 177.10 174.51 2k0f n PRO 39 N 4.22 0.19 -3.29 -0.60 -0.04 -1.26 -5.12 135.00 129.11 2k0f n PRO 39 Ca 0.10 -0.10 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 2k0f n PRO 39 Cb 0.39 -0.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 2k0f n PRO 39 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2k0f s THR 40 N -0.66 4.10 0.19 0.52 -4.23 -1.26 -5.03 115.64 109.26 2k0f s THR 40 Ca 0.03 -0.78 -0.06 0.00 -1.18 0.00 0.00 61.69 59.70 2k0f s THR 40 Cb -0.00 -3.46 -0.01 0.00 1.34 0.00 0.00 72.50 70.37 2k0f s THR 40 CO 0.02 -0.24 1.56 -0.33 -0.54 0.00 0.00 174.62 175.09 2k0f h GLU 41 N 0.70 0.77 -0.92 3.99 5.08 -1.99 -2.00 114.58 120.21 2k0f h GLU 41 Ca -0.46 -0.37 0.17 0.00 -1.00 0.00 0.00 59.36 57.70 2k0f h GLU 41 Cb 1.25 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.40 2k0f h GLU 41 CO 0.55 1.00 0.50 0.00 -1.00 0.00 0.00 179.01 180.06 2k0f h ALA 42 N 0.97 1.46 -0.31 3.43 0.00 -1.99 -0.42 119.26 122.40 2k0f h ALA 42 Ca 0.06 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2k0f h ALA 42 Cb 0.89 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2k0f h ALA 42 CO 0.08 -0.11 -0.33 0.93 0.00 0.00 0.00 179.25 179.82 2k0f h GLU 43 N 0.65 0.77 -0.58 0.00 5.08 -1.77 -3.07 114.58 115.66 2k0f h GLU 43 Ca 0.52 -0.41 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 43 Cb 0.81 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2k0f h GLU 43 CO -0.39 1.04 0.12 -0.07 -1.00 0.00 0.00 179.01 178.71 2k0f h LEU 44 N 0.53 0.91 -0.71 1.33 3.38 -1.28 -3.00 115.31 116.48 2k0f h LEU 44 Ca 0.05 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 2k0f h LEU 44 Cb 0.91 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2k0f h LEU 44 CO 0.08 0.92 -0.39 -0.61 0.09 0.00 0.00 178.44 178.53 2k0f h GLN 45 N 0.85 0.00 0.00 1.13 4.15 -1.11 -2.88 115.11 117.25 2k0f h GLN 45 Ca 0.18 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 2k0f h GLN 45 Cb 0.38 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.07 2k0f h GLN 45 CO 0.01 0.39 -0.00 0.22 -1.93 0.00 0.00 178.83 177.51 2k0f h ASP 46 N 0.00 0.00 0.08 -0.69 3.58 -1.42 0.25 116.42 118.21 2k0f h ASP 46 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2k0f h ASP 46 Cb 1.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.06 2k0f h ASP 46 CO 0.05 0.00 -0.04 0.24 -2.88 0.00 0.00 179.24 176.61 2k0f h MET 47 N 0.00 -0.10 0.58 0.28 2.86 -1.48 -3.32 114.93 113.76 2k0f h MET 47 Ca -0.00 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 2k0f h MET 47 Cb 0.22 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2k0f h MET 47 CO 0.00 0.01 -0.31 0.82 1.06 0.00 0.00 176.91 178.49 2k0f h ILE 48 N -1.02 0.36 0.00 -1.22 2.04 -1.37 -3.37 117.51 112.93 2k0f h ILE 48 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2k0f h ILE 48 Cb 0.16 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2k0f h ILE 48 CO 0.02 0.00 -0.04 -1.13 0.00 0.00 0.00 178.15 177.00 2k0f h ASN 49 N -0.83 0.00 -0.86 1.72 -1.24 -0.68 -1.79 115.58 111.91 2k0f h ASN 49 Ca -0.07 0.00 0.09 0.00 0.71 0.00 0.00 56.30 57.02 2k0f h ASN 49 Cb 0.65 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.64 2k0f h ASN 49 CO 0.10 0.04 0.56 -0.08 -1.29 0.00 0.00 177.43 176.77 2k0f h GLU 50 N 0.00 0.85 -0.41 6.67 4.57 -1.71 -2.74 114.58 121.81 2k0f h GLU 50 Ca -0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2k0f h GLU 50 Cb 0.27 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2k0f h GLU 50 CO 0.01 0.56 0.00 1.33 -1.18 0.00 0.00 179.01 179.73 2k0f n VAL 51 N -4.51 0.54 -2.88 0.32 0.24 -0.70 -4.94 118.33 106.39 2k0f n VAL 51 Ca 0.14 -0.77 -0.41 0.00 -2.04 0.00 0.00 64.34 61.26 2k0f n VAL 51 Cb 0.28 0.96 -0.04 0.00 -1.47 0.00 0.00 33.84 33.57 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -1.44 6.99 -0.11 -1.34 2.15 -1.02 -4.85 116.67 117.05 2k0f s ASP 52 Ca 0.39 1.21 -0.02 0.00 0.43 0.00 0.00 52.55 54.56 2k0f s ASP 52 Cb 0.23 -2.46 -0.02 0.00 -0.30 0.00 0.00 42.92 40.37 2k0f s ASP 52 CO 0.31 -0.37 0.02 0.00 -0.17 0.00 0.00 175.17 174.96 2k0f h ALA 53 N 7.25 0.00 -2.52 3.66 0.00 -1.91 -3.42 119.26 122.31 2k0f h ALA 53 Ca -0.31 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2k0f h ALA 53 Cb 1.14 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2k0f h ALA 53 CO 0.83 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.73 2k0f n ASP 54 N -4.75 0.00 0.00 0.00 5.68 -1.26 -5.00 116.55 111.22 2k0f n ASP 54 Ca -0.01 0.58 0.00 0.00 -0.50 0.00 0.00 54.79 54.86 2k0f n ASP 54 Cb 0.05 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 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 -0.66 -0.71 0.21 6.12 0.00 -1.26 -5.03 105.19 103.85 2k0f n GLY 55 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.96 -3.46 115.58 118.85 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 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.96 2k0f n GLY 57 N 0.21 0.58 3.15 9.14 0.00 -1.26 -5.03 105.19 111.97 2k0f n GLY 57 Ca 0.02 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 1.14 -0.13 2.61 -4.23 -1.26 -4.87 115.64 106.89 2k0f s THR 58 Ca 0.00 -1.00 -0.29 0.00 -1.18 0.00 0.00 61.69 59.22 2k0f s THR 58 Cb 0.00 -1.03 -0.01 0.00 1.34 0.00 0.00 72.50 72.80 2k0f s THR 58 CO 0.00 0.02 0.97 -0.51 -0.54 0.00 0.00 174.62 174.56 2k0f s ILE 59 N -0.84 4.79 0.59 2.99 2.07 -1.07 -4.81 121.20 124.92 2k0f s ILE 59 Ca 0.02 1.95 0.09 0.00 -1.41 0.00 0.00 60.65 61.30 2k0f s ILE 59 Cb -0.08 -4.27 0.09 0.00 0.13 0.00 0.00 42.46 38.32 2k0f s ILE 59 CO 0.01 -0.01 0.73 -1.81 -1.91 0.00 0.00 174.94 171.95 2k0f s ASP 60 N 1.12 4.94 0.04 4.50 1.11 -1.26 -1.09 116.67 126.03 2k0f s ASP 60 Ca 0.46 -0.99 -0.30 0.00 0.18 0.00 0.00 52.55 51.90 2k0f s ASP 60 Cb -0.18 0.45 -0.18 0.00 1.07 0.00 0.00 42.92 44.08 2k0f s ASP 60 CO 0.15 -1.36 1.43 0.15 1.18 0.00 0.00 175.17 176.73 2k0f h PHE 61 N 0.25 -0.75 0.00 4.23 3.57 -1.96 0.72 116.94 122.99 2k0f h PHE 61 Ca -0.30 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.18 2k0f h PHE 61 Cb 1.29 0.25 0.00 0.00 2.79 0.00 0.00 35.95 40.28 2k0f h PHE 61 CO 0.57 -0.43 0.00 -0.35 -2.23 0.00 0.00 178.31 175.88 2k0f n PRO 62 N -5.39 0.02 -0.09 6.41 -0.04 -1.26 -1.37 135.00 133.28 2k0f n PRO 62 Ca -0.12 0.30 -0.19 0.00 -0.04 0.00 0.00 63.50 63.44 2k0f n PRO 62 Cb 0.35 -1.54 -0.12 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.01 -0.49 0.54 5.08 -1.84 -3.04 114.58 114.84 2k0f h GLU 63 Ca 0.00 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 63 Cb 0.23 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2k0f h GLU 63 CO 0.00 1.01 0.27 0.35 -1.00 0.00 0.00 179.01 179.64 2k0f h PHE 64 N -0.96 0.51 -0.79 4.33 3.04 -0.66 -2.10 116.94 120.31 2k0f h PHE 64 Ca -0.23 0.02 0.17 0.00 3.98 0.00 0.00 57.97 61.91 2k0f h PHE 64 Cb 1.23 -0.16 -0.14 0.00 2.56 0.00 0.00 35.95 39.44 2k0f h PHE 64 CO 0.16 0.27 -0.09 1.25 -2.02 0.00 0.00 178.31 177.88 2k0f h LEU 65 N 0.54 -0.54 -0.91 0.59 5.85 -1.39 -2.34 115.31 117.10 2k0f h LEU 65 Ca 0.21 0.22 -0.03 0.00 0.84 0.00 0.00 57.88 59.11 2k0f h LEU 65 Cb 0.07 0.42 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 2k0f h LEU 65 CO -0.12 -0.23 0.37 0.74 -0.34 0.00 0.00 178.44 178.86 2k0f h THR 66 N 0.04 1.25 -0.22 1.05 2.02 -1.26 -2.83 112.91 112.97 2k0f h THR 66 Ca 0.41 -0.73 -0.09 0.00 0.77 0.00 0.00 66.41 66.78 2k0f h THR 66 Cb 0.70 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2k0f h THR 66 CO -0.75 0.31 -0.21 -0.03 0.37 0.00 0.00 175.52 175.21 2k0f h MET 67 N 1.14 0.52 -0.17 6.66 1.85 -1.17 -3.36 114.93 120.40 2k0f h MET 67 Ca 0.27 -0.27 -0.16 0.00 -0.61 0.00 0.00 59.70 58.93 2k0f h MET 67 Cb 0.14 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.17 2k0f h MET 67 CO -0.03 0.85 -0.56 0.52 -0.40 0.00 0.00 176.91 177.29 2k0f h MET 68 N 0.21 0.52 0.00 0.39 2.07 -1.30 -3.31 114.93 113.50 2k0f h MET 68 Ca 0.04 -0.34 0.00 0.00 -2.07 0.00 0.00 59.70 57.33 2k0f h MET 68 Cb 0.75 0.04 0.00 0.00 -1.87 0.00 0.00 31.60 30.53 2k0f h MET 68 CO 0.05 0.94 0.00 0.00 1.07 0.00 0.00 176.91 178.98 2k0f n ALA 69 N -2.52 1.60 -2.84 6.32 0.00 -1.08 -4.75 120.51 117.25 2k0f n ALA 69 Ca -0.03 -0.05 -0.36 0.00 0.00 0.00 0.00 53.44 53.01 2k0f n ALA 69 Cb 0.61 -1.19 -0.11 0.00 0.00 0.00 0.00 19.45 18.77 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -2.80 3.90 -0.27 0.00 3.52 -1.25 -5.08 118.95 116.97 2k0f s ARG 70 Ca 0.08 -0.37 -0.27 0.00 -0.13 0.00 0.00 55.73 55.04 2k0f s ARG 70 Cb 0.08 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 30.15 2k0f s ARG 70 CO 0.19 0.09 0.95 0.21 -0.81 0.00 0.00 175.30 175.93 2k0f s LYS 71 N 0.89 4.14 0.00 5.12 2.20 -1.26 -5.01 119.74 125.82 2k0f s LYS 71 Ca 0.05 1.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 2k0f s LYS 71 Cb -0.14 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 2k0f s LYS 71 CO 0.03 -0.68 0.00 -1.33 -0.36 0.00 0.00 175.35 173.01 2k0f n MET 72 N 6.35 -0.01 0.00 4.03 2.81 -1.26 -5.09 117.12 123.95 2k0f n MET 72 Ca 0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 2k0f n MET 72 Cb 0.47 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.98 2k0f n MET 72 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2k0f n LYS 73 N -0.88 0.44 0.00 0.03 4.81 -1.26 -4.85 118.16 116.45 2k0f n LYS 73 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2k0f n LYS 73 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2k0f n ASP 74 N -0.81 0.00 -0.28 3.14 5.68 -1.26 -3.35 116.55 119.67 2k0f n ASP 74 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.35 2k0f n ASP 74 Cb 0.00 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.15 2k0f n ASP 74 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2k0f h THR 75 N 0.00 0.25 0.36 2.12 2.02 -1.99 -2.74 112.91 112.93 2k0f h THR 75 Ca 0.00 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 2k0f h THR 75 Cb 0.00 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 2k0f h THR 75 CO 0.00 0.01 -0.24 0.44 0.37 0.00 0.00 175.52 176.11 2k0f h ASP 76 N 0.07 -0.60 0.31 4.18 3.32 -1.98 0.18 116.42 121.92 2k0f h ASP 76 Ca 0.44 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.53 2k0f h ASP 76 Cb 0.79 0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.53 2k0f h ASP 76 CO -0.75 -0.37 0.00 0.28 -1.72 0.00 0.00 179.24 176.68 2k0f h SER 77 N -0.58 0.00 0.00 6.45 0.02 -1.49 -0.35 113.55 117.60 2k0f h SER 77 Ca -0.03 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.78 2k0f h SER 77 Cb 0.48 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 2k0f h SER 77 CO 0.03 0.00 -0.79 -0.33 -1.14 0.00 0.00 176.83 174.60 2k0f h GLU 78 N 0.00 0.00 -1.00 3.45 4.39 -1.37 -3.29 114.58 116.76 2k0f h GLU 78 Ca 0.00 0.00 0.37 0.00 0.34 0.00 0.00 59.36 60.07 2k0f h GLU 78 Cb 0.16 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 28.63 2k0f h GLU 78 CO 0.00 0.81 0.37 1.49 -1.16 0.00 0.00 179.01 180.52 2k0f h GLU 79 N -1.00 0.02 -0.04 2.33 4.57 -0.49 0.17 114.58 120.13 2k0f h GLU 79 Ca -0.20 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 57.99 2k0f h GLU 79 Cb 1.05 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.61 2k0f h GLU 79 CO -0.12 0.01 -0.20 0.93 -1.18 0.00 0.00 179.01 178.45 2k0f h GLU 80 N 0.02 -0.21 -0.17 1.92 5.08 -1.19 -0.42 114.58 119.60 2k0f h GLU 80 Ca 0.76 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 59.17 2k0f h GLU 80 Cb 1.89 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 31.16 2k0f h GLU 80 CO -0.81 -0.14 -0.04 0.82 -1.00 0.00 0.00 179.01 177.84 2k0f h ILE 81 N -0.22 0.84 -0.13 3.13 1.08 -1.31 -2.59 117.51 118.31 2k0f h ILE 81 Ca 0.01 -0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 2k0f h ILE 81 Cb 0.25 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 2k0f h ILE 81 CO -0.16 0.00 0.07 0.03 -0.69 0.00 0.00 178.15 177.40 2k0f h ARG 82 N 0.01 0.15 0.00 2.37 3.08 -0.58 -1.57 114.38 117.83 2k0f h ARG 82 Ca 0.08 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 2k0f h ARG 82 Cb 0.12 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2k0f h ARG 82 CO -0.17 0.10 -0.47 0.93 -1.07 0.00 0.00 179.97 179.29 2k0f h GLU 83 N 0.15 0.00 -0.32 0.04 4.39 -1.12 -0.38 114.58 117.34 2k0f h GLU 83 Ca 0.05 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.67 2k0f h GLU 83 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2k0f h GLU 83 CO -0.03 0.47 -0.14 0.00 -1.16 0.00 0.00 179.01 178.15 2k0f h ALA 84 N 1.53 1.16 -0.10 3.43 0.00 -1.23 -2.58 119.26 121.47 2k0f h ALA 84 Ca -0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 2k0f h ALA 84 Cb 1.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2k0f h ALA 84 CO 0.06 0.53 -0.32 0.35 0.00 0.00 0.00 179.25 179.88 2k0f h PHE 85 N 0.52 0.52 -1.00 0.00 3.57 -0.68 -2.87 116.94 116.99 2k0f h PHE 85 Ca 0.09 -0.21 0.21 0.00 3.53 0.00 0.00 57.97 61.60 2k0f h PHE 85 Cb 0.54 -0.09 -0.10 0.00 2.79 0.00 0.00 35.95 39.09 2k0f h PHE 85 CO 0.02 0.93 0.62 -0.09 -2.23 0.00 0.00 178.31 177.56 2k0f h ARG 86 N -0.04 0.62 -0.88 1.11 2.43 -1.08 0.24 114.38 116.78 2k0f h ARG 86 Ca -0.01 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.18 2k0f h ARG 86 Cb 0.94 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.29 2k0f h ARG 86 CO 0.07 0.41 0.55 0.28 -1.51 0.00 0.00 179.97 179.77 2k0f h VAL 87 N 0.64 1.05 0.16 0.20 2.07 -1.27 -3.28 116.25 115.83 2k0f h VAL 87 Ca 0.59 -0.34 -0.31 0.00 0.82 0.00 0.00 66.70 67.45 2k0f h VAL 87 Cb 1.08 -0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2k0f h VAL 87 CO -0.37 0.18 -1.53 -0.26 0.02 0.00 0.00 177.57 175.61 2k0f h PHE 88 N 1.01 0.61 -3.08 1.57 0.04 -1.06 -3.44 116.94 112.59 2k0f h PHE 88 Ca 0.38 -0.45 -0.57 0.00 2.80 0.00 0.00 57.97 60.13 2k0f h PHE 88 Cb 0.16 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.23 2k0f h PHE 88 CO -0.03 1.60 0.88 0.34 -0.60 0.00 0.00 178.31 180.50 2k0f s ASP 89 N -7.19 6.91 -0.05 2.17 -1.08 -0.03 -4.71 116.67 112.69 2k0f s ASP 89 Ca -0.17 1.39 -0.10 0.00 -0.52 0.00 0.00 52.55 53.15 2k0f s ASP 89 Cb 0.05 -2.54 -0.06 0.00 -1.46 0.00 0.00 42.92 38.91 2k0f s ASP 89 CO 0.82 -0.84 0.43 0.50 0.52 0.00 0.00 175.17 176.61 2k0f h LYS 90 N 8.26 -0.36 -0.26 4.34 1.63 -1.85 -3.36 116.57 124.97 2k0f h LYS 90 Ca -0.24 0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.44 2k0f h LYS 90 Cb 1.08 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.79 2k0f h LYS 90 CO 1.00 -0.24 -0.44 0.38 -3.45 0.00 0.00 179.45 176.70 2k0f h ASP 91 N -1.08 0.71 -2.36 4.20 2.03 -1.92 -3.49 116.42 114.52 2k0f h ASP 91 Ca -0.04 -0.33 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 2k0f h ASP 91 Cb 0.29 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 2k0f h ASP 91 CO 0.06 1.05 0.00 0.61 -1.03 0.00 0.00 179.24 179.93 2k0f n GLY 92 N 0.10 0.28 0.28 7.15 0.00 -1.26 -5.03 105.19 106.71 2k0f n GLY 92 Ca -0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.92 2.58 0.00 1.61 6.94 -1.26 -5.03 115.26 119.18 2k0f n ASN 93 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2k0f n ASN 93 Cb 0.39 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 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 3.06 0.76 2.95 4.83 0.00 -1.26 -5.14 105.19 110.39 2k0f n GLY 94 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.76 0.36 -0.25 1.61 2.02 -1.26 -3.95 117.35 115.11 2k0f s TYR 95 Ca 0.00 -0.12 -0.11 0.00 -0.37 0.00 0.00 57.07 56.47 2k0f s TYR 95 Cb 0.00 -0.23 -0.05 0.00 -0.40 0.00 0.00 41.96 41.28 2k0f s TYR 95 CO 0.00 -0.02 0.21 0.42 -1.57 0.00 0.00 175.55 174.59 2k0f s ILE 96 N -0.25 5.31 0.52 2.71 1.01 0.01 -4.77 121.20 125.74 2k0f s ILE 96 Ca -0.00 0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.96 2k0f s ILE 96 Cb -0.03 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 38.93 2k0f s ILE 96 CO -0.00 0.29 0.45 -0.94 0.00 0.00 0.00 174.94 174.74 2k0f s SER 97 N 1.36 4.78 0.08 3.58 1.04 -1.26 -1.61 113.70 121.67 2k0f s SER 97 Ca 0.09 -1.08 -0.21 0.00 0.48 0.00 0.00 55.95 55.23 2k0f s SER 97 Cb -0.15 0.17 -0.10 0.00 0.10 0.00 0.00 66.02 66.04 2k0f s SER 97 CO 0.08 -1.03 1.61 0.00 0.98 0.00 0.00 173.24 174.87 2k0f h ALA 98 N 0.74 0.21 -0.67 5.32 0.00 -1.98 0.47 119.26 123.37 2k0f h ALA 98 Ca -0.37 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.54 2k0f h ALA 98 Cb 1.29 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 2k0f h ALA 98 CO 0.55 -0.18 0.25 0.00 0.00 0.00 0.00 179.25 179.86 2k0f h ALA 99 N 0.89 0.89 0.18 0.00 0.00 -1.98 0.31 119.26 119.55 2k0f h ALA 99 Ca 0.05 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2k0f h ALA 99 Cb 0.19 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2k0f h ALA 99 CO -0.00 -0.21 -0.46 0.93 0.00 0.00 0.00 179.25 179.51 2k0f h GLU 100 N 0.41 -0.68 -0.28 0.00 5.08 -1.84 -1.05 114.58 116.22 2k0f h GLU 100 Ca 0.35 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.80 2k0f h GLU 100 Cb 0.48 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.81 2k0f h GLU 100 CO -0.36 -0.45 -0.50 1.25 -1.00 0.00 0.00 179.01 177.95 2k0f h LEU 101 N -0.71 -1.63 -0.89 1.33 5.85 -0.27 0.28 115.31 119.28 2k0f h LEU 101 Ca -0.02 0.21 0.11 0.00 0.84 0.00 0.00 57.88 59.03 2k0f h LEU 101 Cb 0.68 0.67 -0.12 0.00 0.37 0.00 0.00 40.66 42.25 2k0f h LEU 101 CO -0.20 -0.43 -0.44 0.54 -0.34 0.00 0.00 178.44 177.56 2k0f n ARG 102 N -5.42 -0.31 -0.12 1.25 1.74 0.10 -2.68 116.66 111.23 2k0f n ARG 102 Ca -0.04 1.36 -0.09 0.00 -0.77 0.00 0.00 57.85 58.31 2k0f n ARG 102 Cb 0.36 -2.01 -0.01 0.00 -1.02 0.00 0.00 32.46 29.78 2k0f n ARG 102 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2k0f h HIS 103 N 0.00 0.55 0.00 -1.55 2.76 -0.42 -1.89 115.15 114.60 2k0f h HIS 103 Ca 0.22 -0.04 -0.13 0.00 -2.20 0.00 0.00 60.37 58.23 2k0f h HIS 103 Cb 0.45 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 2k0f h HIS 103 CO -0.86 0.49 -0.64 -0.39 -1.30 0.00 0.00 177.93 175.23 2k0f h VAL 104 N 0.44 1.00 0.00 5.26 -1.51 -0.44 -2.53 116.25 118.47 2k0f h VAL 104 Ca 0.12 -2.44 -0.21 0.00 -1.23 0.00 0.00 66.70 62.94 2k0f h VAL 104 Cb 0.17 2.49 -0.03 0.00 -2.13 0.00 0.00 31.29 31.79 2k0f h VAL 104 CO -0.01 0.57 -1.03 0.24 -1.23 0.00 0.00 177.57 176.11 2k0f h MET 105 N 0.00 0.00 -0.23 5.19 2.07 -1.57 -2.80 114.93 117.59 2k0f h MET 105 Ca -0.01 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.61 2k0f h MET 105 Cb 1.47 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.19 2k0f h MET 105 CO 0.08 0.97 0.13 1.15 1.07 0.00 0.00 176.91 180.31 2k0f h THR 106 N 0.00 1.10 -0.75 2.22 2.02 -1.23 -1.46 112.91 114.81 2k0f h THR 106 Ca -0.02 -0.27 0.13 0.00 0.77 0.00 0.00 66.41 67.02 2k0f h THR 106 Cb 1.78 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 69.01 2k0f h THR 106 CO 0.13 0.10 0.50 0.78 0.37 0.00 0.00 175.52 177.39 2k0f h ASN 107 N 0.27 0.46 -0.12 4.18 2.35 -1.50 -2.93 115.58 118.29 2k0f h ASN 107 Ca 0.08 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2k0f h ASN 107 Cb 0.05 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 2k0f h ASN 107 CO -0.01 0.25 0.01 0.25 -1.65 0.00 0.00 177.43 176.28 2k0f h LEU 108 N 0.50 0.20 0.00 1.61 5.85 -1.20 -3.48 115.31 118.80 2k0f h LEU 108 Ca 0.36 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2k0f h LEU 108 Cb 0.71 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2k0f h LEU 108 CO -0.13 0.44 0.00 0.61 -0.34 0.00 0.00 178.44 179.02 2k0f n GLY 109 N -0.34 0.93 2.77 3.75 0.00 -0.82 -5.10 105.19 106.37 2k0f n GLY 109 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 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 0.79 -1.30 1.61 0.41 -0.61 -5.04 118.70 114.55 2k0f s GLU 110 Ca 0.00 -0.38 -0.16 0.00 -0.41 0.00 0.00 54.97 54.03 2k0f s GLU 110 Cb 0.00 -1.94 0.10 0.00 -1.78 0.00 0.00 34.13 30.51 2k0f s GLU 110 CO 0.00 -0.56 1.76 1.17 -0.49 0.00 0.00 175.26 177.14 2k0f n LYS 111 N 5.03 3.22 -2.54 1.61 3.00 -1.26 -3.77 118.16 123.45 2k0f n LYS 111 Ca -0.09 -3.33 -0.38 0.00 -0.00 0.00 0.00 58.31 54.51 2k0f n LYS 111 Cb 0.48 -3.31 -0.04 0.00 0.00 0.00 0.00 35.03 32.15 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2k0f s LEU 112 N 2.90 4.29 1.04 3.14 1.43 -1.26 -5.06 118.68 125.15 2k0f s LEU 112 Ca 0.49 2.09 -0.17 0.00 -1.03 0.00 0.00 54.13 55.51 2k0f s LEU 112 Cb 0.04 -3.99 0.23 0.00 0.03 0.00 0.00 46.19 42.50 2k0f s LEU 112 CO 0.03 -0.35 1.29 0.42 0.23 0.00 0.00 176.35 177.96 2k0f s THR 113 N -1.49 1.90 0.17 5.49 -4.23 -1.26 -4.92 115.64 111.29 2k0f s THR 113 Ca 0.53 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.05 2k0f s THR 113 Cb -0.25 -2.88 -0.14 0.00 1.34 0.00 0.00 72.50 70.57 2k0f s THR 113 CO 0.31 0.00 1.39 0.44 -0.54 0.00 0.00 174.62 176.23 2k0f h ASP 114 N -1.93 0.35 -0.78 3.99 3.32 -2.00 -2.73 116.42 116.64 2k0f h ASP 114 Ca -0.44 -0.26 0.17 0.00 0.02 0.00 0.00 57.03 56.52 2k0f h ASP 114 Cb 1.24 -0.11 -0.11 0.00 0.22 0.00 0.00 39.33 40.57 2k0f h ASP 114 CO 0.34 1.04 0.24 -0.08 -1.72 0.00 0.00 179.24 179.06 2k0f h GLU 115 N 0.17 0.31 -0.06 3.56 4.81 -1.99 -1.83 114.58 119.55 2k0f h GLU 115 Ca -0.05 -0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 58.93 2k0f h GLU 115 Cb 1.45 -0.07 0.02 0.00 0.63 0.00 0.00 28.75 30.77 2k0f h GLU 115 CO 0.13 0.20 -0.87 0.93 -0.73 0.00 0.00 179.01 178.67 2k0f h GLU 116 N 0.32 0.70 -0.08 1.92 5.08 -1.88 -1.28 114.58 119.36 2k0f h GLU 116 Ca 0.45 -0.67 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2k0f h GLU 116 Cb 0.79 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 2k0f h GLU 116 CO -0.51 1.27 -0.33 0.28 -1.00 0.00 0.00 179.01 178.71 2k0f h VAL 117 N 0.38 0.00 -0.71 3.13 2.07 -1.41 -0.24 116.25 119.48 2k0f h VAL 117 Ca -0.09 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.55 2k0f h VAL 117 Cb 1.52 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.17 2k0f h VAL 117 CO 0.18 0.00 -0.35 0.44 0.02 0.00 0.00 177.57 177.86 2k0f h ASP 118 N -0.36 -1.23 0.61 0.57 3.32 -1.32 -1.04 116.42 116.97 2k0f h ASP 118 Ca 0.02 0.25 -0.11 0.00 0.02 0.00 0.00 57.03 57.21 2k0f h ASP 118 Cb 0.42 0.63 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 2k0f h ASP 118 CO -0.27 -0.30 -0.51 -0.33 -1.72 0.00 0.00 179.24 176.12 2k0f h GLU 119 N -0.12 0.00 0.69 3.56 5.08 -1.08 0.10 114.58 122.81 2k0f h GLU 119 Ca 0.27 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 2k0f h GLU 119 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2k0f h GLU 119 CO -0.77 0.51 -0.40 0.52 -1.00 0.00 0.00 179.01 177.87 2k0f h MET 120 N 0.00 -0.98 -0.06 2.33 2.86 -0.59 0.63 114.93 119.12 2k0f h MET 120 Ca -0.01 0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 2k0f h MET 120 Cb 0.95 0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 2k0f h MET 120 CO 0.07 -0.65 -0.22 0.82 1.06 0.00 0.00 176.91 177.98 2k0f h ILE 121 N -1.01 1.19 -0.23 -1.22 1.08 -0.44 -2.34 117.51 114.54 2k0f h ILE 121 Ca -0.09 -0.89 -0.15 0.00 -0.39 0.00 0.00 64.86 63.34 2k0f h ILE 121 Cb 0.81 1.39 -0.01 0.00 -3.07 0.00 0.00 36.82 35.94 2k0f h ILE 121 CO 0.10 0.26 -0.48 -0.09 -0.69 0.00 0.00 178.15 177.25 2k0f h ARG 122 N 0.09 0.61 -0.46 2.37 2.43 -0.71 -0.05 114.38 118.66 2k0f h ARG 122 Ca 0.02 -0.35 -0.13 0.00 -0.81 0.00 0.00 59.98 58.71 2k0f h ARG 122 Cb 0.45 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2k0f h ARG 122 CO 0.03 0.96 -0.22 1.49 -1.51 0.00 0.00 179.97 180.71 2k0f h GLU 123 N 0.48 0.94 0.32 0.20 4.81 -0.52 -3.35 114.58 117.47 2k0f h GLU 123 Ca 0.02 -0.40 -0.02 0.00 -0.13 0.00 0.00 59.36 58.84 2k0f h GLU 123 Cb 1.02 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.37 2k0f h GLU 123 CO 0.10 1.07 -0.16 0.00 -0.73 0.00 0.00 179.01 179.28 2k0f h ALA 124 N 0.92 -0.44 -2.87 2.92 0.00 -1.36 -3.45 119.26 114.98 2k0f h ALA 124 Ca 0.11 -0.18 -0.53 0.00 0.00 0.00 0.00 54.91 54.30 2k0f h ALA 124 Cb 0.79 0.17 0.07 0.00 0.00 0.00 0.00 17.79 18.82 2k0f h ALA 124 CO 0.07 -0.57 0.70 0.34 0.00 0.00 0.00 179.25 179.78 2k0f s ASP 125 N -5.05 6.64 0.00 0.00 2.15 -0.04 -4.79 116.67 115.58 2k0f s ASP 125 Ca -0.14 2.77 0.00 0.00 0.43 0.00 0.00 52.55 55.61 2k0f s ASP 125 Cb 0.02 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 2k0f s ASP 125 CO 0.53 -0.65 0.00 0.00 -0.17 0.00 0.00 175.17 174.88 2k0f n ILE 126 N 1.04 0.00 -0.12 4.11 0.13 -1.26 -4.86 119.36 118.40 2k0f n ILE 126 Ca 0.02 0.00 -0.11 0.00 -1.10 0.00 0.00 62.75 61.56 2k0f n ILE 126 Cb 0.41 -0.55 -0.02 0.00 -0.84 0.00 0.00 39.64 38.64 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 2.80 0.00 0.00 176.55 177.11 2k0f h ASP 127 N 0.00 0.58 0.00 9.51 3.04 -1.93 -3.48 116.42 124.14 2k0f h ASP 127 Ca 0.00 -0.29 0.00 0.00 -3.24 0.00 0.00 57.03 53.50 2k0f h ASP 127 Cb 0.69 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 38.83 2k0f h ASP 127 CO 0.00 0.73 0.00 0.61 -2.04 0.00 0.00 179.24 178.54 2k0f n GLY 128 N -0.38 0.61 0.19 7.15 0.00 -1.26 -5.07 105.19 106.44 2k0f n GLY 128 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.38 0.00 1.61 3.04 -1.99 -3.48 116.42 115.22 2k0f h ASP 129 Ca 0.00 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 2k0f h ASP 129 Cb 0.00 0.10 0.00 0.00 -1.04 0.00 0.00 39.33 38.39 2k0f h ASP 129 CO 0.00 -0.08 0.00 0.61 -2.04 0.00 0.00 179.24 177.73 2k0f n GLY 130 N 0.30 1.90 3.14 7.15 0.00 -1.26 -5.10 105.19 111.32 2k0f n GLY 130 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.44 2.50 -0.55 1.61 -0.21 -1.26 -4.77 119.66 116.54 2k0f s GLN 131 Ca 0.00 -0.69 -0.25 0.00 0.02 0.00 0.00 55.36 54.44 2k0f s GLN 131 Cb 0.00 -1.95 0.04 0.00 1.00 0.00 0.00 33.01 32.10 2k0f s GLN 131 CO 0.00 0.11 0.98 0.08 -2.12 0.00 0.00 175.29 174.34 2k0f s VAL 132 N 0.50 4.34 0.48 1.09 1.01 -0.63 -4.84 120.40 122.34 2k0f s VAL 132 Ca -0.16 0.43 -0.03 0.00 0.00 0.00 0.00 61.98 62.21 2k0f s VAL 132 Cb -0.17 -4.56 0.10 0.00 0.00 0.00 0.00 36.38 31.75 2k0f s VAL 132 CO 0.06 -1.12 0.65 -0.46 0.00 0.00 0.00 175.10 174.24 2k0f n ASN 133 N 7.59 0.60 -0.02 3.32 0.23 -1.26 -0.81 115.26 124.90 2k0f n ASN 133 Ca 0.03 -1.57 -0.17 0.00 -0.53 0.00 0.00 54.58 52.34 2k0f n ASN 133 Cb 0.48 -0.45 -0.08 0.00 -2.08 0.00 0.00 39.78 37.65 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 -0.78 0.89 -0.64 -2.53 3.20 -1.97 -2.48 116.97 112.65 2k0f h TYR 134 Ca -0.21 -0.40 0.03 0.00 3.14 0.00 0.00 58.73 61.28 2k0f h TYR 134 Cb 0.73 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 2k0f h TYR 134 CO 0.00 1.21 0.40 0.93 -1.64 0.00 0.00 178.16 179.06 2k0f h GLU 135 N 0.32 0.76 0.00 1.82 5.08 -1.95 0.24 114.58 120.85 2k0f h GLU 135 Ca -0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2k0f h GLU 135 Cb 1.30 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2k0f h GLU 135 CO 0.14 0.51 0.00 0.39 -1.00 0.00 0.00 179.01 179.04 2k0f n GLU 136 N -4.70 0.03 -0.13 2.33 1.02 -1.14 -1.75 120.64 116.30 2k0f n GLU 136 Ca 0.06 0.42 -0.27 0.00 -0.02 0.00 0.00 57.16 57.35 2k0f n GLU 136 Cb 0.08 -1.58 -0.11 0.00 -0.02 0.00 0.00 31.44 29.81 2k0f n GLU 136 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2k0f n PHE 137 N -1.64 0.10 -0.13 -0.32 7.35 -0.41 -3.18 117.46 119.23 2k0f n PHE 137 Ca 0.01 0.04 -0.04 0.00 -0.76 0.00 0.00 57.45 56.70 2k0f n PHE 137 Cb 0.08 -1.01 0.04 0.00 0.35 0.00 0.00 39.48 38.95 2k0f n PHE 137 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2k0f h VAL 138 N -0.76 0.71 0.00 -2.13 2.07 -0.49 -0.61 116.25 115.04 2k0f h VAL 138 Ca -0.65 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 2k0f h VAL 138 Cb 1.67 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 2k0f h VAL 138 CO -0.33 0.03 -0.22 -0.61 0.02 0.00 0.00 177.57 176.46 2k0f h GLN 139 N 0.15 0.00 0.05 1.57 5.75 -1.53 -1.67 115.11 119.43 2k0f h GLN 139 Ca 0.22 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.46 2k0f h GLN 139 Cb 0.30 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.86 2k0f h GLN 139 CO -0.33 0.22 -1.08 1.98 -2.65 0.00 0.00 178.83 176.97 2k0f h MET 140 N 0.00 0.49 0.07 1.69 4.05 -1.31 -3.36 114.93 116.56 2k0f h MET 140 Ca -0.00 -0.59 -0.31 0.00 -0.28 0.00 0.00 59.70 58.52 2k0f h MET 140 Cb 0.70 0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 31.65 2k0f h MET 140 CO 0.03 1.23 -1.68 0.52 0.23 0.00 0.00 176.91 177.23 2k0f h MET 141 N 0.25 0.15 0.00 0.39 2.86 -0.89 -3.50 114.93 114.18 2k0f h MET 141 Ca -0.12 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 2k0f h MET 141 Cb 1.74 0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.49 2k0f h MET 141 CO 0.19 0.91 0.00 0.25 1.06 0.00 0.00 176.91 179.32