#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 -0.08 0.25 1.09 4.71 -1.26 -2.49 120.64 122.86 2k0f n GLU 2 Ca 0.00 1.44 0.11 0.00 -0.01 0.00 0.00 57.16 58.71 2k0f n GLU 2 Cb 0.00 -2.29 0.65 0.00 -1.01 0.00 0.00 31.44 28.79 2k0f n GLU 2 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 2k0f h GLU 3 N 0.00 0.00 0.05 3.49 4.11 -2.05 0.39 114.58 120.57 2k0f h GLU 3 Ca 0.58 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.85 2k0f h GLU 3 Cb 1.18 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.45 2k0f h GLU 3 CO -0.91 0.16 -0.66 1.96 0.07 0.00 0.00 179.01 179.63 2k0f h GLN 4 N 0.00 0.36 -0.60 1.06 4.20 -1.92 -3.17 115.11 115.04 2k0f h GLN 4 Ca -0.00 -0.45 0.09 0.00 0.06 0.00 0.00 58.65 58.35 2k0f h GLN 4 Cb 0.44 0.14 -0.07 0.00 0.30 0.00 0.00 27.48 28.29 2k0f h GLN 4 CO 0.02 1.14 0.21 0.82 -0.67 0.00 0.00 178.83 180.35 2k0f h ILE 5 N -0.21 0.76 -0.96 2.54 1.08 -0.81 0.48 117.51 120.39 2k0f h ILE 5 Ca -0.10 -0.13 0.29 0.00 -0.39 0.00 0.00 64.86 64.54 2k0f h ILE 5 Cb 1.41 0.34 -0.17 0.00 -3.07 0.00 0.00 36.82 35.33 2k0f h ILE 5 CO 0.13 0.07 0.19 0.00 -0.69 0.00 0.00 178.15 177.85 2k0f h ALA 6 N 1.42 1.41 0.21 1.87 0.00 -0.51 0.19 119.26 123.86 2k0f h ALA 6 Ca 0.30 0.30 -0.34 0.00 0.00 0.00 0.00 54.91 55.17 2k0f h ALA 6 Cb 0.38 0.47 0.02 0.00 0.00 0.00 0.00 17.79 18.66 2k0f h ALA 6 CO -0.31 -0.63 -1.63 1.49 0.00 0.00 0.00 179.25 178.17 2k0f h GLU 7 N 0.06 0.45 -0.60 0.00 4.57 -0.76 -0.66 114.58 117.65 2k0f h GLU 7 Ca 0.64 -0.77 0.03 0.00 -1.18 0.00 0.00 59.36 58.07 2k0f h GLU 7 Cb 1.42 0.29 -0.03 0.00 -0.16 0.00 0.00 28.75 30.27 2k0f h GLU 7 CO -0.82 1.37 0.39 0.74 -1.18 0.00 0.00 179.01 179.51 2k0f h PHE 8 N 0.12 0.69 0.02 0.92 0.04 -0.09 -2.86 116.94 115.78 2k0f h PHE 8 Ca -0.30 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.48 2k0f h PHE 8 Cb 2.13 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 40.05 2k0f h PHE 8 CO 0.11 0.41 -0.01 -0.22 -0.60 0.00 0.00 178.31 178.00 2k0f h LYS 9 N 0.72 -0.03 0.00 1.51 3.64 -0.74 -0.21 116.57 121.47 2k0f h LYS 9 Ca 0.23 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 2k0f h LYS 9 Cb 0.04 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2k0f h LYS 9 CO -0.06 0.66 -0.21 0.93 -2.27 0.00 0.00 179.45 178.50 2k0f h GLU 10 N -0.77 0.00 -0.07 1.90 5.08 -1.18 -0.43 114.58 119.12 2k0f h GLU 10 Ca -0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 2k0f h GLU 10 Cb 0.70 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 2k0f h GLU 10 CO 0.00 0.21 -0.76 0.00 -1.00 0.00 0.00 179.01 177.46 2k0f h ALA 11 N 1.79 0.56 -0.14 3.43 0.00 -1.42 -0.50 119.26 122.99 2k0f h ALA 11 Ca -0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 2k0f h ALA 11 Cb 0.38 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k0f h ALA 11 CO 0.03 0.77 -0.32 0.35 0.00 0.00 0.00 179.25 180.08 2k0f h PHE 12 N 0.27 0.30 0.06 0.00 3.57 -0.39 -1.54 116.94 119.21 2k0f h PHE 12 Ca -0.04 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 2k0f h PHE 12 Cb 1.34 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.01 2k0f h PHE 12 CO 0.05 0.56 -0.03 1.03 -2.23 0.00 0.00 178.31 177.68 2k0f h SER 13 N 0.23 -0.07 -0.88 0.41 0.87 -1.03 -3.03 113.55 110.05 2k0f h SER 13 Ca 0.03 -0.39 0.20 0.00 -1.23 0.00 0.00 61.79 60.41 2k0f h SER 13 Cb 0.68 0.02 -0.12 0.00 -0.44 0.00 0.00 62.40 62.54 2k0f h SER 13 CO 0.05 0.36 0.39 0.25 -0.53 0.00 0.00 176.83 177.35 2k0f h LEU 14 N -0.52 0.35 -1.07 2.23 5.85 -1.07 -1.10 115.31 119.98 2k0f h LEU 14 Ca -0.01 0.14 0.26 0.00 0.84 0.00 0.00 57.88 59.11 2k0f h LEU 14 Cb 0.45 0.12 -0.12 0.00 0.37 0.00 0.00 40.66 41.48 2k0f h LEU 14 CO 0.01 0.03 0.61 0.15 -0.34 0.00 0.00 178.44 178.91 2k0f h PHE 15 N 0.43 0.95 -3.03 1.25 3.04 -1.16 -3.42 116.94 115.00 2k0f h PHE 15 Ca 0.54 0.03 -0.53 0.00 3.98 0.00 0.00 57.97 61.99 2k0f h PHE 15 Cb 0.97 -0.27 0.02 0.00 2.56 0.00 0.00 35.95 39.23 2k0f h PHE 15 CO -0.14 0.05 0.71 0.34 -2.02 0.00 0.00 178.31 177.25 2k0f s ASP 16 N -5.18 6.84 0.19 0.41 -1.08 -0.42 -4.92 116.67 112.51 2k0f s ASP 16 Ca -0.10 2.32 -0.08 0.00 -0.52 0.00 0.00 52.55 54.16 2k0f s ASP 16 Cb 0.27 -2.59 0.09 0.00 -1.46 0.00 0.00 42.92 39.24 2k0f s ASP 16 CO 0.80 -0.64 1.66 0.50 0.52 0.00 0.00 175.17 178.01 2k0f h LYS 17 N 6.71 1.06 0.00 4.34 3.64 -1.86 -3.39 116.57 127.08 2k0f h LYS 17 Ca -0.42 -0.33 -0.41 0.00 -1.27 0.00 0.00 60.65 58.22 2k0f h LYS 17 Cb 1.21 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 2k0f h LYS 17 CO 0.86 1.03 -2.38 -0.25 -2.27 0.00 0.00 179.45 176.44 2k0f n ASP 18 N -4.18 1.76 0.00 4.20 8.00 -1.26 -5.02 116.55 120.04 2k0f n ASP 18 Ca 0.03 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.81 2k0f n ASP 18 Cb 0.34 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 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 1.50 1.76 0.09 0.44 0.00 -1.26 -5.08 105.19 102.64 2k0f n GLY 19 Ca -0.48 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 0.00 0.00 1.61 2.03 -1.95 -3.49 116.42 114.62 2k0f h ASP 20 Ca 0.00 -0.44 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 2k0f h ASP 20 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 20 CO 0.00 1.19 0.00 0.61 -1.03 0.00 0.00 179.24 180.01 2k0f n GLY 21 N 1.52 2.00 3.78 7.15 0.00 -1.26 -5.15 105.19 113.23 2k0f n GLY 21 Ca -0.21 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 4.75 -0.29 2.61 -4.23 -1.26 -4.98 115.64 112.24 2k0f s THR 22 Ca 0.00 1.37 -0.08 0.00 -1.18 0.00 0.00 61.69 61.80 2k0f s THR 22 Cb 0.00 -3.98 -0.01 0.00 1.34 0.00 0.00 72.50 69.85 2k0f s THR 22 CO 0.00 0.46 0.11 -0.63 -0.54 0.00 0.00 174.62 174.03 2k0f s ILE 23 N -0.58 4.34 0.56 2.99 -1.09 -1.26 -4.89 121.20 121.27 2k0f s ILE 23 Ca 0.32 -0.46 0.06 0.00 -2.23 0.00 0.00 60.65 58.35 2k0f s ILE 23 Cb -0.20 -3.18 0.05 0.00 -1.58 0.00 0.00 42.46 37.55 2k0f s ILE 23 CO 0.20 0.12 0.49 0.42 -1.23 0.00 0.00 174.94 174.94 2k0f s THR 24 N 1.58 1.69 0.41 2.92 -4.23 -1.26 -4.06 115.64 112.69 2k0f s THR 24 Ca 0.04 -1.40 0.25 0.00 -1.18 0.00 0.00 61.69 59.41 2k0f s THR 24 Cb -0.17 -2.09 0.27 0.00 1.34 0.00 0.00 72.50 71.85 2k0f s THR 24 CO 0.04 0.00 2.04 0.74 -0.54 0.00 0.00 174.62 176.91 2k0f h THR 25 N 0.61 0.66 -0.28 3.99 2.02 -1.99 0.42 112.91 118.35 2k0f h THR 25 Ca -0.35 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.20 2k0f h THR 25 Cb 1.30 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 2k0f h THR 25 CO 0.54 0.14 0.01 0.50 0.37 0.00 0.00 175.52 177.08 2k0f h LYS 26 N 0.00 0.48 -0.08 6.66 3.64 -1.98 -1.78 116.57 123.51 2k0f h LYS 26 Ca -0.00 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.13 2k0f h LYS 26 Cb 0.36 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2k0f h LYS 26 CO 0.02 0.62 -0.42 0.93 -2.27 0.00 0.00 179.45 178.33 2k0f h GLU 27 N 0.27 0.18 0.01 1.90 5.08 -1.33 0.26 114.58 120.95 2k0f h GLU 27 Ca 0.08 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 27 Cb 0.40 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k0f h GLU 27 CO 0.01 0.57 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.52 2k0f h LEU 28 N 0.15 -0.01 -0.62 1.33 3.38 -1.26 -1.94 115.31 116.33 2k0f h LEU 28 Ca 0.01 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 2k0f h LEU 28 Cb 0.81 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2k0f h LEU 28 CO 0.06 0.22 -0.13 1.23 0.09 0.00 0.00 178.44 179.92 2k0f h GLY 29 N -0.25 1.03 1.98 0.83 0.00 -1.15 -2.53 103.07 102.98 2k0f h GLY 29 Ca -0.00 -0.83 -0.09 0.00 0.00 0.00 0.00 47.33 46.40 2k0f h GLY 29 CO 0.00 0.76 -0.44 -0.84 0.00 0.00 0.00 176.54 176.02 2k0f h THR 30 N 0.84 1.32 0.00 4.70 2.02 -0.39 -1.73 112.91 119.68 2k0f h THR 30 Ca 0.13 -1.53 -0.02 0.00 0.77 0.00 0.00 66.41 65.76 2k0f h THR 30 Cb 0.67 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 2k0f h THR 30 CO 0.05 0.44 -0.10 1.62 0.37 0.00 0.00 175.52 177.90 2k0f h VAL 31 N 0.01 1.61 -0.54 3.16 3.04 -1.33 -2.79 116.25 119.42 2k0f h VAL 31 Ca -0.00 -1.92 0.10 0.00 -1.01 0.00 0.00 66.70 63.86 2k0f h VAL 31 Cb 0.79 2.88 -0.08 0.00 -2.01 0.00 0.00 31.29 32.88 2k0f h VAL 31 CO 0.06 0.51 0.10 0.24 -1.01 0.00 0.00 177.57 177.47 2k0f h MET 32 N -0.69 0.23 -0.86 4.17 2.86 -1.45 -1.75 114.93 117.43 2k0f h MET 32 Ca -0.01 -0.01 0.17 0.00 -2.06 0.00 0.00 59.70 57.78 2k0f h MET 32 Cb 0.89 -0.05 -0.16 0.00 0.06 0.00 0.00 31.60 32.33 2k0f h MET 32 CO 0.02 0.15 -0.25 -0.09 1.06 0.00 0.00 176.91 177.80 2k0f h ARG 33 N 0.24 -0.01 0.20 1.72 2.43 -0.99 -1.10 114.38 116.86 2k0f h ARG 33 Ca 0.27 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 59.13 2k0f h ARG 33 Cb 0.38 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.96 2k0f h ARG 33 CO -0.36 -0.01 -1.40 0.77 -1.51 0.00 0.00 179.97 177.47 2k0f h SER 34 N -0.01 0.67 -0.37 -3.80 0.02 -1.14 -3.31 113.55 105.60 2k0f h SER 34 Ca 0.39 -0.72 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 2k0f h SER 34 Cb 0.63 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 2k0f h SER 34 CO -0.89 1.57 0.12 -0.07 -1.14 0.00 0.00 176.83 176.41 2k0f h LEU 35 N 0.12 0.54 0.00 5.07 3.38 -1.27 -3.47 115.31 119.68 2k0f h LEU 35 Ca -0.21 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2k0f h LEU 35 Cb 2.09 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.70 2k0f h LEU 35 CO 0.24 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.99 2k0f n GLY 36 N -0.65 -1.39 3.30 0.83 0.00 -0.43 -4.92 105.19 101.93 2k0f n GLY 36 Ca -0.01 0.36 -0.16 0.00 0.00 0.00 0.00 46.02 46.20 2k0f n GLY 36 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 37 N -0.63 1.21 -0.43 1.61 -2.07 -1.16 -4.94 119.66 113.25 2k0f s GLN 37 Ca 0.00 -1.54 -0.11 0.00 -1.82 0.00 0.00 55.36 51.89 2k0f s GLN 37 Cb 0.00 -0.84 0.08 0.00 -1.09 0.00 0.00 33.01 31.16 2k0f s GLN 37 CO 0.00 0.10 0.29 1.21 -1.32 0.00 0.00 175.29 175.57 2k0f s ASN 38 N -3.25 5.77 1.06 12.60 2.47 -1.26 -2.49 114.94 129.83 2k0f s ASN 38 Ca 0.20 -1.46 -0.17 0.00 0.42 0.00 0.00 52.86 51.85 2k0f s ASN 38 Cb 0.02 -2.04 0.24 0.00 -1.45 0.00 0.00 41.25 38.02 2k0f s ASN 38 CO 0.04 -0.56 1.25 -2.16 -3.72 0.00 0.00 177.10 171.95 2k0f s PRO 39 N 1.48 -0.09 0.60 0.43 0.04 -1.26 -5.04 135.00 131.16 2k0f s PRO 39 Ca 0.03 -0.31 -0.14 0.00 0.04 0.00 0.00 61.00 60.61 2k0f s PRO 39 Cb -0.23 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2k0f s PRO 39 CO 0.03 -2.92 1.04 0.95 0.04 0.00 0.00 177.00 176.14 2k0f s THR 40 N -3.59 4.12 -0.05 1.26 -4.23 -1.26 -4.98 115.64 106.91 2k0f s THR 40 Ca 0.73 0.91 0.13 0.00 -1.18 0.00 0.00 61.69 62.29 2k0f s THR 40 Cb -0.06 -3.52 -0.16 0.00 1.34 0.00 0.00 72.50 70.10 2k0f s THR 40 CO 0.54 -0.68 0.91 -0.33 -0.54 0.00 0.00 174.62 174.52 2k0f h GLU 41 N 0.26 0.00 -0.20 3.99 5.08 -1.97 -3.31 114.58 118.43 2k0f h GLU 41 Ca -0.46 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 2k0f h GLU 41 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2k0f h GLU 41 CO 0.59 0.52 0.07 0.00 -1.00 0.00 0.00 179.01 179.18 2k0f h ALA 42 N 1.19 1.75 0.00 3.43 0.00 -1.99 -0.59 119.26 123.05 2k0f h ALA 42 Ca -0.17 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 2k0f h ALA 42 Cb 1.77 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 2k0f h ALA 42 CO 0.08 0.20 -0.57 1.05 0.00 0.00 0.00 179.25 180.01 2k0f h GLU 43 N 0.27 0.00 0.07 0.00 4.11 -1.99 -3.19 114.58 113.85 2k0f h GLU 43 Ca 0.07 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.26 2k0f h GLU 43 Cb 0.08 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.35 2k0f h GLU 43 CO -0.01 0.57 -0.98 1.25 0.07 0.00 0.00 179.01 179.91 2k0f h LEU 44 N 0.00 0.74 -0.35 3.06 5.85 -1.22 -2.92 115.31 120.46 2k0f h LEU 44 Ca -0.01 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 57.91 2k0f h LEU 44 Cb 1.28 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2k0f h LEU 44 CO 0.07 1.47 0.00 0.06 -0.34 0.00 0.00 178.44 179.70 2k0f h GLN 45 N 0.11 0.00 -0.17 1.25 3.07 -1.41 -2.85 115.11 115.11 2k0f h GLN 45 Ca -0.14 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.56 2k0f h GLN 45 Cb 1.68 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.23 2k0f h GLN 45 CO 0.19 0.00 -0.06 -0.44 0.09 0.00 0.00 178.83 178.61 2k0f h ASP 46 N 0.00 0.34 0.33 0.06 3.32 -1.53 -2.53 116.42 116.41 2k0f h ASP 46 Ca 0.00 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 2k0f h ASP 46 Cb 0.65 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2k0f h ASP 46 CO 0.00 0.65 -0.25 0.24 -1.72 0.00 0.00 179.24 178.16 2k0f h MET 47 N 0.03 -0.56 -0.17 3.56 2.86 -1.41 -3.00 114.93 116.24 2k0f h MET 47 Ca 0.04 0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.77 2k0f h MET 47 Cb 0.51 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 2k0f h MET 47 CO 0.02 -0.38 0.31 0.82 1.06 0.00 0.00 176.91 178.75 2k0f h ILE 48 N -0.58 0.23 0.00 -1.22 5.03 -1.50 -3.10 117.51 116.36 2k0f h ILE 48 Ca -0.02 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.67 2k0f h ILE 48 Cb 0.51 0.73 -0.01 0.00 -3.03 0.00 0.00 36.82 35.02 2k0f h ILE 48 CO -0.01 0.00 -0.21 -1.13 -0.68 0.00 0.00 178.15 176.13 2k0f h ASN 49 N 0.00 0.00 1.36 1.72 -1.24 -1.30 0.28 115.58 116.41 2k0f h ASN 49 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 2k0f h ASN 49 Cb 0.71 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.76 2k0f h ASN 49 CO -0.00 0.21 0.00 -0.62 -1.29 0.00 0.00 177.43 175.73 2k0f n GLU 50 N -3.27 0.25 -0.06 6.67 1.02 -1.17 -3.25 120.64 120.83 2k0f n GLU 50 Ca 0.01 0.24 -0.10 0.00 -0.02 0.00 0.00 57.16 57.29 2k0f n GLU 50 Cb 0.48 -1.80 -0.09 0.00 -0.02 0.00 0.00 31.44 30.01 2k0f n GLU 50 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2k0f h VAL 51 N 0.00 1.26 -1.95 2.62 2.07 -1.43 -3.46 116.25 115.36 2k0f h VAL 51 Ca 0.00 -1.89 -0.59 0.00 0.82 0.00 0.00 66.70 65.04 2k0f h VAL 51 Cb 0.68 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2k0f h VAL 51 CO 0.00 0.42 1.49 -0.67 0.02 0.00 0.00 177.57 178.83 2k0f n ASP 52 N -4.68 3.23 -0.08 0.57 2.03 -0.01 -4.80 116.55 112.81 2k0f n ASP 52 Ca -0.07 0.22 -0.16 0.00 0.52 0.00 0.00 54.79 55.30 2k0f n ASP 52 Cb 0.34 -1.54 -0.11 0.00 -0.72 0.00 0.00 41.12 39.08 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 14.89 0.10 0.00 -1.67 0.00 -1.90 -3.41 119.26 127.27 2k0f h ALA 53 Ca -0.41 -0.74 -0.04 0.00 0.00 0.00 0.00 54.91 53.72 2k0f h ALA 53 Cb 1.24 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2k0f h ALA 53 CO 0.96 0.30 -0.18 0.38 0.00 0.00 0.00 179.25 180.71 2k0f h ASP 54 N -1.00 0.00 0.00 0.00 3.04 -1.94 -3.47 116.42 113.04 2k0f h ASP 54 Ca -0.13 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.66 2k0f h ASP 54 Cb 1.03 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.32 2k0f h ASP 54 CO -0.08 0.18 0.00 0.61 -2.04 0.00 0.00 179.24 177.91 2k0f n GLY 55 N -0.96 0.81 0.18 7.15 0.00 -1.26 -4.93 105.19 106.18 2k0f n GLY 55 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.95 -3.48 115.58 118.85 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 0.36 0.00 0.61 -2.08 0.00 0.00 177.43 176.32 2k0f n GLY 57 N 0.75 0.42 3.37 9.14 0.00 -1.26 -5.04 105.19 112.57 2k0f n GLY 57 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.15 2.38 -0.38 2.61 -4.23 -1.26 -4.82 115.64 107.78 2k0f s THR 58 Ca 0.00 -1.12 -0.29 0.00 -1.18 0.00 0.00 61.69 59.10 2k0f s THR 58 Cb 0.00 -1.90 -0.00 0.00 1.34 0.00 0.00 72.50 71.94 2k0f s THR 58 CO 0.00 0.49 1.56 -0.51 -0.54 0.00 0.00 174.62 175.62 2k0f s ILE 59 N -0.73 3.74 0.32 2.99 2.07 -1.26 -4.88 121.20 123.45 2k0f s ILE 59 Ca 0.11 0.75 0.02 0.00 -1.41 0.00 0.00 60.65 60.12 2k0f s ILE 59 Cb -0.10 -3.99 0.06 0.00 0.13 0.00 0.00 42.46 38.56 2k0f s ILE 59 CO 0.01 -0.63 0.44 0.47 -1.91 0.00 0.00 174.94 173.32 2k0f n ASP 60 N 9.38 0.77 0.31 4.50 8.00 -1.26 -4.30 116.55 133.95 2k0f n ASP 60 Ca 0.19 -1.61 -0.16 0.00 0.71 0.00 0.00 54.79 53.92 2k0f n ASP 60 Cb 0.47 -0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 41.22 2k0f n ASP 60 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2k0f h PHE 61 N -0.30 -0.73 -0.02 1.24 3.57 -1.93 0.25 116.94 119.02 2k0f h PHE 61 Ca -0.15 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.34 2k0f h PHE 61 Cb 0.59 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 2k0f h PHE 61 CO 0.00 -0.41 0.04 -1.35 -2.23 0.00 0.00 178.31 174.37 2k0f h PRO 62 N -0.95 0.00 0.01 6.41 0.11 -1.98 0.60 132.00 136.20 2k0f h PRO 62 Ca -0.08 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 2k0f h PRO 62 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2k0f h PRO 62 CO 0.13 0.00 -0.01 0.93 -0.21 0.00 0.00 178.00 178.85 2k0f h GLU 63 N 0.00 -0.02 -0.97 1.05 5.08 -1.79 -0.52 114.58 117.41 2k0f h GLU 63 Ca 0.01 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 2k0f h GLU 63 Cb 0.09 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.22 2k0f h GLU 63 CO -0.00 0.77 -0.57 0.35 -1.00 0.00 0.00 179.01 178.56 2k0f h PHE 64 N -0.86 -1.80 -0.15 4.33 3.57 -0.57 0.19 116.94 121.64 2k0f h PHE 64 Ca -0.00 0.12 0.04 0.00 3.53 0.00 0.00 57.97 61.67 2k0f h PHE 64 Cb 0.79 0.92 -0.05 0.00 2.79 0.00 0.00 35.95 40.40 2k0f h PHE 64 CO 0.21 -0.38 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.71 2k0f h LEU 65 N -0.02 -0.41 -1.28 0.59 3.38 -0.95 -0.45 115.31 116.16 2k0f h LEU 65 Ca 0.17 0.08 0.18 0.00 0.09 0.00 0.00 57.88 58.41 2k0f h LEU 65 Cb 0.44 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 2k0f h LEU 65 CO -0.93 -0.17 0.60 0.74 0.09 0.00 0.00 178.44 178.78 2k0f h THR 66 N -0.14 0.73 -0.02 0.22 2.02 -0.66 0.27 112.91 115.32 2k0f h THR 66 Ca 0.10 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 2k0f h THR 66 Cb 0.29 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2k0f h THR 66 CO -0.24 0.11 0.00 -0.03 0.37 0.00 0.00 175.52 175.73 2k0f h MET 67 N 0.61 0.03 -0.60 6.66 1.85 0.32 -2.33 114.93 121.47 2k0f h MET 67 Ca 0.50 -0.01 -0.10 0.00 -0.61 0.00 0.00 59.70 59.49 2k0f h MET 67 Cb 0.97 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.98 2k0f h MET 67 CO -0.25 0.32 -0.01 0.52 -0.40 0.00 0.00 176.91 177.09 2k0f h MET 68 N -0.27 1.06 0.01 0.39 2.86 -0.35 -3.24 114.93 115.38 2k0f h MET 68 Ca 0.00 -0.34 -0.00 0.00 -2.06 0.00 0.00 59.70 57.30 2k0f h MET 68 Cb 0.31 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2k0f h MET 68 CO 0.00 1.04 -0.00 0.00 1.06 0.00 0.00 176.91 179.01 2k0f h ALA 69 N 0.98 -0.01 -2.33 6.32 0.00 -0.56 -3.45 119.26 120.21 2k0f h ALA 69 Ca 0.17 -0.32 -0.54 0.00 0.00 0.00 0.00 54.91 54.23 2k0f h ALA 69 Cb 0.57 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2k0f h ALA 69 CO 0.03 -0.18 1.20 0.50 0.00 0.00 0.00 179.25 180.80 2k0f s ARG 70 N -3.64 4.15 0.02 0.00 3.52 -0.88 -5.00 118.95 117.12 2k0f s ARG 70 Ca -0.17 2.50 0.03 0.00 -0.13 0.00 0.00 55.73 57.97 2k0f s ARG 70 Cb 0.00 -4.12 -0.04 0.00 -1.56 0.00 0.00 34.95 29.24 2k0f s ARG 70 CO 0.67 -0.93 -0.05 0.21 -0.81 0.00 0.00 175.30 174.39 2k0f s LYS 71 N 4.36 2.57 0.00 5.12 2.20 -1.26 -4.89 119.74 127.85 2k0f s LYS 71 Ca 0.85 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 2k0f s LYS 71 Cb -0.40 -2.53 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 2k0f s LYS 71 CO 0.38 0.59 0.00 -1.33 -0.36 0.00 0.00 175.35 174.64 2k0f n MET 72 N 1.35 0.00 -2.71 4.03 2.81 -1.26 -5.09 117.12 116.25 2k0f n MET 72 Ca -0.15 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.53 2k0f n MET 72 Cb 0.52 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 33.07 2k0f n MET 72 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2k0f s LYS 73 N 3.49 2.63 0.33 0.03 1.02 -1.26 -4.90 119.74 121.08 2k0f s LYS 73 Ca 0.00 -0.76 0.03 0.00 0.02 0.00 0.00 55.97 55.25 2k0f s LYS 73 Cb 0.00 -2.51 0.62 0.00 -0.52 0.00 0.00 37.83 35.42 2k0f s LYS 73 CO 0.00 -0.63 1.94 -0.44 -0.92 0.00 0.00 175.35 175.30 2k0f h ASP 74 N 0.15 0.80 0.21 2.83 3.32 -1.98 -0.06 116.42 121.69 2k0f h ASP 74 Ca -0.43 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.63 2k0f h ASP 74 Cb 1.29 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 2k0f h ASP 74 CO 0.53 0.52 -0.23 0.71 -1.72 0.00 0.00 179.24 179.05 2k0f h THR 75 N 0.91 0.51 -0.20 0.35 1.35 -1.99 0.26 112.91 114.10 2k0f h THR 75 Ca 0.34 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.18 2k0f h THR 75 Cb 0.19 0.51 -0.01 0.00 -1.73 0.00 0.00 68.15 67.10 2k0f h THR 75 CO -0.12 0.00 0.02 0.44 -0.25 0.00 0.00 175.52 175.61 2k0f h ASP 76 N -0.48 0.26 0.71 5.36 3.32 -1.82 0.23 116.42 124.01 2k0f h ASP 76 Ca 0.00 -0.03 -0.21 0.00 0.02 0.00 0.00 57.03 56.81 2k0f h ASP 76 Cb 0.45 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2k0f h ASP 76 CO -0.06 0.30 -0.96 -1.28 -1.72 0.00 0.00 179.24 175.52 2k0f h SER 77 N 0.29 0.19 -0.00 6.45 0.87 -0.22 -0.68 113.55 120.46 2k0f h SER 77 Ca 0.07 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2k0f h SER 77 Cb 0.17 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2k0f h SER 77 CO 0.00 1.04 -0.01 -0.08 -0.53 0.00 0.00 176.83 177.25 2k0f h GLU 78 N 0.06 0.02 -0.09 2.24 4.81 -0.81 -3.31 114.58 117.49 2k0f h GLU 78 Ca -0.05 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 78 Cb 1.63 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.01 2k0f h GLU 78 CO 0.14 0.66 0.08 1.49 -0.73 0.00 0.00 179.01 180.65 2k0f h GLU 79 N -0.62 0.00 0.53 1.92 4.81 -0.51 -0.87 114.58 119.83 2k0f h GLU 79 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 79 Cb 0.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2k0f h GLU 79 CO 0.00 0.00 -0.28 1.49 -0.73 0.00 0.00 179.01 179.50 2k0f h GLU 80 N 0.00 -0.72 -0.64 1.92 4.81 -1.21 -1.39 114.58 117.36 2k0f h GLU 80 Ca 0.05 0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 80 Cb 0.21 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 2k0f h GLU 80 CO -0.00 -0.48 0.10 0.82 -0.73 0.00 0.00 179.01 178.72 2k0f h ILE 81 N -0.74 1.26 -0.19 2.32 2.04 -1.52 -2.10 117.51 118.58 2k0f h ILE 81 Ca -0.07 -1.03 0.05 0.00 1.00 0.00 0.00 64.86 64.81 2k0f h ILE 81 Cb 0.58 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 2k0f h ILE 81 CO 0.10 0.38 -0.36 -0.09 0.00 0.00 0.00 178.15 178.19 2k0f h ARG 82 N 0.97 -0.39 0.00 2.37 2.43 -1.15 -1.38 114.38 117.24 2k0f h ARG 82 Ca 0.19 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 2k0f h ARG 82 Cb 0.44 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2k0f h ARG 82 CO 0.01 -0.26 -0.08 0.93 -1.51 0.00 0.00 179.97 179.07 2k0f h GLU 83 N -0.40 0.00 -0.12 0.20 4.39 -1.19 -2.71 114.58 114.74 2k0f h GLU 83 Ca 0.10 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2k0f h GLU 83 Cb 0.58 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2k0f h GLU 83 CO -0.41 0.08 0.05 0.00 -1.16 0.00 0.00 179.01 177.56 2k0f h ALA 84 N 1.92 0.16 0.00 3.43 0.00 -0.58 -2.71 119.26 121.48 2k0f h ALA 84 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k0f h ALA 84 Cb 0.24 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2k0f h ALA 84 CO 0.01 -0.25 -0.01 0.35 0.00 0.00 0.00 179.25 179.35 2k0f h PHE 85 N 0.05 0.00 0.09 0.00 3.57 -1.01 -2.57 116.94 117.07 2k0f h PHE 85 Ca 0.04 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.24 2k0f h PHE 85 Cb 0.16 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 2k0f h PHE 85 CO -0.02 0.01 -1.58 -0.09 -2.23 0.00 0.00 178.31 174.40 2k0f h ARG 86 N 0.00 0.18 -0.07 1.11 2.43 -1.19 -1.55 114.38 115.29 2k0f h ARG 86 Ca -0.00 -0.32 -0.03 0.00 -0.81 0.00 0.00 59.98 58.82 2k0f h ARG 86 Cb 0.06 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2k0f h ARG 86 CO 0.00 1.00 -0.11 0.28 -1.51 0.00 0.00 179.97 179.63 2k0f h VAL 87 N 0.05 1.12 0.18 0.20 2.07 -1.30 -3.18 116.25 115.40 2k0f h VAL 87 Ca -0.25 -0.55 -0.28 0.00 0.82 0.00 0.00 66.70 66.44 2k0f h VAL 87 Cb 2.00 1.19 0.02 0.00 -1.52 0.00 0.00 31.29 32.98 2k0f h VAL 87 CO 0.14 0.17 -1.28 0.15 0.02 0.00 0.00 177.57 176.76 2k0f h PHE 88 N 0.10 0.70 -3.56 1.57 3.04 -1.42 -3.42 116.94 113.96 2k0f h PHE 88 Ca 0.02 -0.51 -0.57 0.00 3.98 0.00 0.00 57.97 60.89 2k0f h PHE 88 Cb 0.26 -0.03 -0.07 0.00 2.56 0.00 0.00 35.95 38.67 2k0f h PHE 88 CO 0.00 1.49 0.84 0.34 -2.02 0.00 0.00 178.31 178.96 2k0f s ASP 89 N -7.24 6.72 0.00 0.41 2.15 -0.59 -4.91 116.67 113.21 2k0f s ASP 89 Ca -0.14 0.63 -0.22 0.00 0.43 0.00 0.00 52.55 53.25 2k0f s ASP 89 Cb 0.03 -2.53 -0.19 0.00 -0.30 0.00 0.00 42.92 39.93 2k0f s ASP 89 CO 0.86 -1.08 1.21 0.50 -0.17 0.00 0.00 175.17 176.50 2k0f h LYS 90 N 8.78 0.26 0.12 4.34 1.63 -1.84 -3.41 116.57 126.45 2k0f h LYS 90 Ca -0.22 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.38 2k0f h LYS 90 Cb 1.06 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 2k0f h LYS 90 CO 1.07 0.80 -0.06 0.38 -3.45 0.00 0.00 179.45 178.20 2k0f h ASP 91 N -0.23 -0.14 0.00 4.20 3.04 -1.95 -3.49 116.42 117.86 2k0f h ASP 91 Ca -0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 91 Cb 0.82 0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.14 2k0f h ASP 91 CO 0.04 -0.03 0.00 0.61 -2.04 0.00 0.00 179.24 177.83 2k0f n GLY 92 N 0.54 0.03 0.02 7.15 0.00 -1.26 -5.08 105.19 106.59 2k0f n GLY 92 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 0.46 -1.84 1.61 6.94 -1.26 -4.94 115.26 116.23 2k0f n ASN 93 Ca 0.00 -0.19 -0.12 0.00 -0.02 0.00 0.00 54.58 54.25 2k0f n ASN 93 Cb 0.00 0.11 0.03 0.00 -2.36 0.00 0.00 39.78 37.56 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.48 0.15 2.99 4.83 0.00 -1.26 -5.03 105.19 108.35 2k0f n GLY 94 Ca 0.07 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.01 1.35 -0.46 1.61 1.51 -1.26 -4.14 117.35 112.95 2k0f s TYR 95 Ca 0.22 -0.50 -0.20 0.00 -1.01 0.00 0.00 57.07 55.58 2k0f s TYR 95 Cb -0.10 -1.02 0.03 0.00 -0.11 0.00 0.00 41.96 40.77 2k0f s TYR 95 CO 0.28 -0.28 0.63 0.42 -1.11 0.00 0.00 175.55 175.48 2k0f s ILE 96 N 0.79 4.85 0.54 2.71 1.01 0.92 -4.85 121.20 127.17 2k0f s ILE 96 Ca -0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.42 2k0f s ILE 96 Cb -0.15 -4.23 0.01 0.00 0.01 0.00 0.00 42.46 38.10 2k0f s ILE 96 CO 0.02 -0.65 0.80 -0.94 0.00 0.00 0.00 174.94 174.17 2k0f s SER 97 N 2.18 5.60 0.28 3.58 1.04 -1.26 -0.70 113.70 124.41 2k0f s SER 97 Ca 0.20 0.44 -0.02 0.00 0.48 0.00 0.00 55.95 57.05 2k0f s SER 97 Cb -0.16 -1.50 0.42 0.00 0.10 0.00 0.00 66.02 64.88 2k0f s SER 97 CO 0.17 -0.97 1.90 0.00 0.98 0.00 0.00 173.24 175.33 2k0f h ALA 98 N 0.05 1.41 -0.53 5.32 0.00 -1.97 -1.18 119.26 122.35 2k0f h ALA 98 Ca -0.45 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.53 2k0f h ALA 98 Cb 1.26 -0.32 -0.11 0.00 0.00 0.00 0.00 17.79 18.63 2k0f h ALA 98 CO 0.58 0.47 -0.26 0.00 0.00 0.00 0.00 179.25 180.04 2k0f h ALA 99 N 1.46 0.09 0.01 0.00 0.00 -1.97 -1.56 119.26 117.29 2k0f h ALA 99 Ca 0.40 0.17 -0.24 0.00 0.00 0.00 0.00 54.91 55.25 2k0f h ALA 99 Cb 0.10 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2k0f h ALA 99 CO -0.14 -0.59 -0.98 0.93 0.00 0.00 0.00 179.25 178.46 2k0f h GLU 100 N -0.13 0.43 -0.28 0.00 5.08 -1.68 -3.21 114.58 114.78 2k0f h GLU 100 Ca 0.24 -0.48 -0.17 0.00 -1.00 0.00 0.00 59.36 57.95 2k0f h GLU 100 Cb 0.51 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 2k0f h GLU 100 CO -0.61 1.14 -0.50 1.25 -1.00 0.00 0.00 179.01 179.29 2k0f h LEU 101 N 0.23 0.87 -0.23 1.33 5.85 -1.12 0.13 115.31 122.37 2k0f h LEU 101 Ca -0.09 -0.44 0.05 0.00 0.84 0.00 0.00 57.88 58.24 2k0f h LEU 101 Cb 1.63 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.36 2k0f h LEU 101 CO 0.17 1.21 -0.12 0.03 -0.34 0.00 0.00 178.44 179.39 2k0f h ARG 102 N 0.62 -0.10 -0.11 1.25 3.08 -1.36 -0.84 114.38 116.93 2k0f h ARG 102 Ca 0.03 0.01 -0.23 0.00 0.07 0.00 0.00 59.98 59.86 2k0f h ARG 102 Cb 1.08 0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.16 2k0f h ARG 102 CO 0.11 -0.06 -0.83 0.45 -1.07 0.00 0.00 179.97 178.57 2k0f h HIS 103 N -0.10 0.96 0.20 3.04 3.86 -1.45 -3.06 115.15 118.61 2k0f h HIS 103 Ca 0.12 -0.45 -0.00 0.00 -1.16 0.00 0.00 60.37 58.88 2k0f h HIS 103 Cb 0.28 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 2k0f h HIS 103 CO -0.29 1.27 -0.15 0.28 0.86 0.00 0.00 177.93 179.91 2k0f h VAL 104 N 0.46 0.69 -0.65 2.45 2.07 -0.84 -2.12 116.25 118.30 2k0f h VAL 104 Ca -0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.51 2k0f h VAL 104 Cb 1.45 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 2k0f h VAL 104 CO 0.16 0.00 0.36 0.24 0.02 0.00 0.00 177.57 178.35 2k0f h MET 105 N -0.35 0.65 -0.76 1.57 2.07 -1.20 0.16 114.93 117.06 2k0f h MET 105 Ca -0.01 -0.04 0.05 0.00 -2.07 0.00 0.00 59.70 57.63 2k0f h MET 105 Cb 0.31 -0.15 -0.06 0.00 -1.87 0.00 0.00 31.60 29.83 2k0f h MET 105 CO 0.00 0.43 0.46 1.15 1.07 0.00 0.00 176.91 180.02 2k0f h THR 106 N 0.67 1.03 -0.23 2.22 2.02 -1.41 0.36 112.91 117.57 2k0f h THR 106 Ca 0.29 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2k0f h THR 106 Cb 0.18 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 2k0f h THR 106 CO -0.18 0.16 -0.03 0.78 0.37 0.00 0.00 175.52 176.62 2k0f h ASN 107 N 0.85 0.42 0.32 4.18 2.35 -0.97 -3.28 115.58 119.45 2k0f h ASN 107 Ca 0.33 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2k0f h ASN 107 Cb 0.15 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2k0f h ASN 107 CO -0.16 0.66 -0.15 0.25 -1.65 0.00 0.00 177.43 176.38 2k0f h LEU 108 N 0.17 -0.36 0.00 1.61 5.85 -0.59 -3.45 115.31 118.54 2k0f h LEU 108 Ca 0.06 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2k0f h LEU 108 Cb 0.46 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2k0f h LEU 108 CO 0.02 -0.20 0.00 0.61 -0.34 0.00 0.00 178.44 178.53 2k0f n GLY 109 N -1.07 -0.23 3.79 3.75 0.00 0.11 -4.86 105.19 106.68 2k0f n GLY 109 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 3.98 -0.73 1.61 0.41 0.03 -4.98 118.70 119.02 2k0f s GLU 110 Ca 0.00 0.08 0.03 0.00 -0.41 0.00 0.00 54.97 54.68 2k0f s GLU 110 Cb 0.00 -3.32 0.33 0.00 -1.78 0.00 0.00 34.13 29.36 2k0f s GLU 110 CO 0.00 0.47 1.22 1.63 -0.49 0.00 0.00 175.26 178.09 2k0f n LYS 111 N 2.81 3.91 -2.25 1.61 5.02 -1.26 -3.47 118.16 124.52 2k0f n LYS 111 Ca -0.15 -4.80 -0.35 0.00 -2.02 0.00 0.00 58.31 50.99 2k0f n LYS 111 Cb 0.53 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2k0f s LEU 112 N -3.69 3.80 0.42 -0.35 2.34 -1.26 -5.08 118.68 114.86 2k0f s LEU 112 Ca 0.45 2.21 -0.08 0.00 0.06 0.00 0.00 54.13 56.77 2k0f s LEU 112 Cb 0.24 -4.51 -0.05 0.00 -0.56 0.00 0.00 46.19 41.31 2k0f s LEU 112 CO -0.13 -1.16 0.76 0.42 -1.06 0.00 0.00 176.35 175.18 2k0f s THR 113 N -1.72 4.84 0.48 5.48 -4.23 -1.26 -5.00 115.64 114.23 2k0f s THR 113 Ca 0.71 0.45 0.26 0.00 -1.18 0.00 0.00 61.69 61.93 2k0f s THR 113 Cb -0.25 -3.78 0.45 0.00 1.34 0.00 0.00 72.50 70.26 2k0f s THR 113 CO 0.29 -0.62 1.85 0.44 -0.54 0.00 0.00 174.62 176.03 2k0f h ASP 114 N 0.94 0.19 -0.41 3.99 3.32 -1.99 -1.41 116.42 121.05 2k0f h ASP 114 Ca -0.47 0.03 0.08 0.00 0.02 0.00 0.00 57.03 56.69 2k0f h ASP 114 Cb 1.19 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 40.64 2k0f h ASP 114 CO 0.63 0.06 -0.27 -0.08 -1.72 0.00 0.00 179.24 177.86 2k0f h GLU 115 N 0.18 -0.19 -0.46 3.56 4.81 -1.99 0.37 114.58 120.86 2k0f h GLU 115 Ca 0.49 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.62 2k0f h GLU 115 Cb 1.61 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 31.02 2k0f h GLU 115 CO -0.10 -0.13 -0.14 0.93 -0.73 0.00 0.00 179.01 178.84 2k0f h GLU 116 N -0.20 0.87 -0.12 1.92 5.08 -1.66 -1.67 114.58 118.81 2k0f h GLU 116 Ca 0.19 -0.32 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2k0f h GLU 116 Cb 0.50 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 2k0f h GLU 116 CO -0.53 0.96 -0.20 0.28 -1.00 0.00 0.00 179.01 178.52 2k0f h VAL 117 N 0.78 0.50 -0.49 3.13 2.07 -1.33 -0.91 116.25 120.00 2k0f h VAL 117 Ca 0.12 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.73 2k0f h VAL 117 Cb 0.66 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 2k0f h VAL 117 CO 0.05 0.00 0.06 -0.78 0.02 0.00 0.00 177.57 176.92 2k0f h ASP 118 N -0.26 -0.08 -0.13 0.57 3.58 -0.72 0.36 116.42 119.73 2k0f h ASP 118 Ca 0.10 0.10 0.05 0.00 0.42 0.00 0.00 57.03 57.69 2k0f h ASP 118 Cb 0.40 0.15 -0.06 0.00 1.72 0.00 0.00 39.33 41.55 2k0f h ASP 118 CO -0.27 -0.01 -0.23 -0.08 -2.88 0.00 0.00 179.24 175.77 2k0f h GLU 119 N 0.18 -0.28 -0.65 0.28 4.81 -1.20 -0.53 114.58 117.19 2k0f h GLU 119 Ca 0.25 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.51 2k0f h GLU 119 Cb 0.35 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 2k0f h GLU 119 CO -0.36 -0.19 0.43 0.52 -0.73 0.00 0.00 179.01 178.69 2k0f h MET 120 N -0.29 0.84 -0.51 1.92 2.86 -0.81 0.10 114.93 119.04 2k0f h MET 120 Ca 0.10 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.57 2k0f h MET 120 Cb 0.44 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 2k0f h MET 120 CO -0.30 0.56 -0.16 0.82 1.06 0.00 0.00 176.91 178.89 2k0f h ILE 121 N 0.87 1.27 -0.45 -1.22 1.08 -0.84 -1.53 117.51 116.69 2k0f h ILE 121 Ca 0.25 -1.32 -0.08 0.00 -0.39 0.00 0.00 64.86 63.31 2k0f h ILE 121 Cb -0.07 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.71 2k0f h ILE 121 CO -0.06 0.46 -0.04 -0.09 -0.69 0.00 0.00 178.15 177.73 2k0f h ARG 122 N 0.88 0.81 -0.15 2.37 2.43 -0.73 -2.15 114.38 117.84 2k0f h ARG 122 Ca 0.12 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2k0f h ARG 122 Cb 0.74 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2k0f h ARG 122 CO 0.06 0.89 0.09 1.49 -1.51 0.00 0.00 179.97 180.99 2k0f h GLU 123 N 0.65 0.20 0.00 0.20 4.81 -0.64 -3.24 114.58 116.56 2k0f h GLU 123 Ca 0.12 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2k0f h GLU 123 Cb 0.55 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2k0f h GLU 123 CO 0.03 0.16 -0.32 0.00 -0.73 0.00 0.00 179.01 178.15 2k0f n ALA 124 N -2.15 2.67 -2.57 2.92 0.00 -0.59 -4.75 120.51 116.04 2k0f n ALA 124 Ca -0.04 -0.15 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 2k0f n ALA 124 Cb 0.04 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 2k0f n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k0f s ASP 125 N -4.19 6.52 -0.09 0.00 2.15 -0.81 -4.84 116.67 115.42 2k0f s ASP 125 Ca 0.09 0.20 -0.04 0.00 0.43 0.00 0.00 52.55 53.24 2k0f s ASP 125 Cb 0.14 -2.42 -0.01 0.00 -0.30 0.00 0.00 42.92 40.32 2k0f s ASP 125 CO 0.66 -0.91 -0.07 0.40 -0.17 0.00 0.00 175.17 175.08 2k0f h ILE 126 N 5.94 0.00 0.34 4.11 1.08 -1.86 -3.44 117.51 123.68 2k0f h ILE 126 Ca -0.24 -0.69 -0.01 0.00 -0.39 0.00 0.00 64.86 63.52 2k0f h ILE 126 Cb 1.08 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.83 2k0f h ILE 126 CO 0.98 0.00 -0.21 -2.24 -0.69 0.00 0.00 178.15 175.98 2k0f h ASP 127 N -0.69 -0.54 0.00 1.72 3.04 -1.94 -3.47 116.42 114.53 2k0f h ASP 127 Ca 0.00 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 2k0f h ASP 127 Cb 0.20 0.16 0.00 0.00 -1.04 0.00 0.00 39.33 38.65 2k0f h ASP 127 CO 0.00 -0.33 0.00 0.61 -2.04 0.00 0.00 179.24 177.48 2k0f n GLY 128 N -1.27 0.00 0.20 7.15 0.00 -1.26 -5.05 105.19 104.96 2k0f n GLY 128 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.95 -3.47 116.42 115.65 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 129 CO 0.00 0.32 0.00 0.61 -2.04 0.00 0.00 179.24 178.13 2k0f n GLY 130 N 0.17 0.69 3.58 7.15 0.00 -1.26 -5.07 105.19 110.46 2k0f n GLY 130 Ca -0.00 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.48 2.55 -0.34 1.61 -0.21 -1.26 -4.46 119.66 117.06 2k0f s GLN 131 Ca 0.00 -0.71 -0.17 0.00 0.02 0.00 0.00 55.36 54.49 2k0f s GLN 131 Cb 0.00 -2.49 -0.01 0.00 1.00 0.00 0.00 33.01 31.51 2k0f s GLN 131 CO 0.00 0.61 0.47 0.08 -2.12 0.00 0.00 175.29 174.33 2k0f s VAL 132 N -0.96 5.06 0.68 1.09 1.01 0.12 -4.82 120.40 122.58 2k0f s VAL 132 Ca 0.16 0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 2k0f s VAL 132 Cb -0.11 -3.91 0.10 0.00 0.00 0.00 0.00 36.38 32.46 2k0f s VAL 132 CO 0.06 -0.16 0.95 0.54 0.00 0.00 0.00 175.10 176.50 2k0f s ASN 133 N 1.74 4.59 0.26 3.32 2.20 -1.26 -0.06 114.94 125.74 2k0f s ASN 133 Ca 0.17 -0.18 -0.02 0.00 -0.94 0.00 0.00 52.86 51.89 2k0f s ASN 133 Cb -0.16 -0.34 0.46 0.00 -2.00 0.00 0.00 41.25 39.21 2k0f s ASN 133 CO 0.13 -1.68 1.84 0.22 -2.94 0.00 0.00 177.10 174.67 2k0f h TYR 134 N -0.41 1.05 -0.15 1.54 5.03 -1.98 0.27 116.97 122.32 2k0f h TYR 134 Ca -0.39 0.03 -0.16 0.00 2.58 0.00 0.00 58.73 60.80 2k0f h TYR 134 Cb 1.28 -0.33 -0.01 0.00 1.55 0.00 0.00 36.73 39.22 2k0f h TYR 134 CO -0.03 0.46 -0.56 0.93 -1.32 0.00 0.00 178.16 177.64 2k0f h GLU 135 N 0.97 0.46 0.04 1.82 5.08 -1.95 0.10 114.58 121.09 2k0f h GLU 135 Ca 0.44 -0.30 -0.22 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 135 Cb 0.36 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2k0f h GLU 135 CO -0.23 0.90 -1.03 0.93 -1.00 0.00 0.00 179.01 178.57 2k0f h GLU 136 N 0.35 0.10 0.09 2.33 5.08 -1.80 -3.30 114.58 117.44 2k0f h GLU 136 Ca 0.00 -0.16 -0.26 0.00 -1.00 0.00 0.00 59.36 57.95 2k0f h GLU 136 Cb 1.09 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2k0f h GLU 136 CO 0.10 1.04 -1.15 0.35 -1.00 0.00 0.00 179.01 178.34 2k0f h PHE 137 N 0.04 0.52 -0.12 4.33 3.57 -0.70 -3.21 116.94 121.37 2k0f h PHE 137 Ca -0.05 -0.35 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 2k0f h PHE 137 Cb 1.76 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 40.46 2k0f h PHE 137 CO 0.02 1.24 -0.04 0.28 -2.23 0.00 0.00 178.31 177.58 2k0f h VAL 138 N 0.11 1.30 -0.21 1.41 2.07 -1.12 -1.87 116.25 117.95 2k0f h VAL 138 Ca -0.12 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.40 2k0f h VAL 138 Cb 1.86 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 33.35 2k0f h VAL 138 CO 0.19 0.29 0.14 -0.61 0.02 0.00 0.00 177.57 177.60 2k0f h GLN 139 N -0.10 0.26 -0.52 1.57 5.75 -1.75 0.14 115.11 120.46 2k0f h GLN 139 Ca 0.03 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2k0f h GLN 139 Cb 0.47 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 2k0f h GLN 139 CO 0.01 0.17 0.28 1.98 -2.65 0.00 0.00 178.83 178.63 2k0f h MET 140 N 0.27 0.72 0.22 1.69 4.05 -1.57 -3.33 114.93 116.97 2k0f h MET 140 Ca 0.08 -0.09 -0.34 0.00 -0.28 0.00 0.00 59.70 59.07 2k0f h MET 140 Cb -0.00 -0.14 0.02 0.00 -0.80 0.00 0.00 31.60 30.68 2k0f h MET 140 CO -0.02 0.56 -1.59 1.98 0.23 0.00 0.00 176.91 178.07 2k0f h MET 141 N 0.69 0.47 0.00 0.39 1.85 -0.64 -3.51 114.93 114.18 2k0f h MET 141 Ca 0.18 -0.80 0.00 0.00 -0.61 0.00 0.00 59.70 58.48 2k0f h MET 141 Cb 0.05 0.30 0.00 0.00 0.43 0.00 0.00 31.60 32.38 2k0f h MET 141 CO -0.03 1.38 0.00 0.25 -0.40 0.00 0.00 176.91 178.11