#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 -0.06 -0.04 -2.82 4.71 -1.26 -1.27 120.64 119.90 2k0f n GLU 2 Ca 0.00 1.34 -0.06 0.00 -0.01 0.00 0.00 57.16 58.42 2k0f n GLU 2 Cb 0.00 -2.43 0.12 0.00 -1.01 0.00 0.00 31.44 28.12 2k0f n GLU 2 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2k0f h GLU 3 N 0.00 0.65 0.22 3.49 3.07 -2.05 -1.18 114.58 118.79 2k0f h GLU 3 Ca 0.84 -0.27 -0.33 0.00 -0.50 0.00 0.00 59.36 59.10 2k0f h GLU 3 Cb 2.28 -0.03 0.03 0.00 -0.84 0.00 0.00 28.75 30.20 2k0f h GLU 3 CO -0.71 0.85 -1.42 1.96 -1.40 0.00 0.00 179.01 178.29 2k0f h GLN 4 N 0.57 0.53 -0.22 2.33 4.20 -1.62 -0.77 115.11 120.13 2k0f h GLN 4 Ca 0.07 -0.87 0.03 0.00 0.06 0.00 0.00 58.65 57.95 2k0f h GLN 4 Cb 0.75 0.32 -0.03 0.00 0.30 0.00 0.00 27.48 28.82 2k0f h GLN 4 CO 0.06 1.41 0.02 0.82 -0.67 0.00 0.00 178.83 180.47 2k0f h ILE 5 N 0.17 0.86 -0.85 2.54 2.04 -1.26 -2.64 117.51 118.37 2k0f h ILE 5 Ca -0.23 -0.03 0.18 0.00 1.00 0.00 0.00 64.86 65.78 2k0f h ILE 5 Cb 2.11 0.76 -0.11 0.00 -0.74 0.00 0.00 36.82 38.84 2k0f h ILE 5 CO 0.26 0.02 0.37 0.00 0.00 0.00 0.00 178.15 178.80 2k0f h ALA 6 N 1.18 1.29 -0.62 1.87 0.00 -1.25 -1.62 119.26 120.11 2k0f h ALA 6 Ca 0.10 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 2k0f h ALA 6 Cb 0.12 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2k0f h ALA 6 CO -0.16 -0.25 0.13 1.49 0.00 0.00 0.00 179.25 180.45 2k0f h GLU 7 N 0.45 1.01 0.02 0.00 4.81 -0.79 -0.94 114.58 119.15 2k0f h GLU 7 Ca 0.50 -0.26 0.03 0.00 -0.13 0.00 0.00 59.36 59.50 2k0f h GLU 7 Cb 0.85 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.06 2k0f h GLU 7 CO -0.46 0.93 -0.25 0.74 -0.73 0.00 0.00 179.01 179.23 2k0f h PHE 8 N 0.92 -0.68 -0.29 0.92 0.04 -1.19 -2.40 116.94 114.27 2k0f h PHE 8 Ca 0.19 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.94 2k0f h PHE 8 Cb 0.39 0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 2k0f h PHE 8 CO 0.03 -0.35 -0.01 -0.22 -0.60 0.00 0.00 178.31 177.17 2k0f h LYS 9 N -0.40 0.52 -0.09 1.51 1.63 -1.29 -2.10 116.57 116.34 2k0f h LYS 9 Ca 0.06 -0.17 -0.17 0.00 -0.85 0.00 0.00 60.65 59.52 2k0f h LYS 9 Cb 0.48 -0.05 0.01 0.00 -0.60 0.00 0.00 32.23 32.07 2k0f h LYS 9 CO -0.21 0.67 -0.61 0.93 -3.45 0.00 0.00 179.45 176.78 2k0f h GLU 10 N 0.31 0.57 -0.30 1.90 4.39 -1.26 -2.62 114.58 117.57 2k0f h GLU 10 Ca 0.08 -0.49 0.09 0.00 0.34 0.00 0.00 59.36 59.38 2k0f h GLU 10 Cb 0.44 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2k0f h GLU 10 CO 0.02 1.12 0.27 0.00 -1.16 0.00 0.00 179.01 179.25 2k0f h ALA 11 N 0.46 2.09 -0.42 3.43 0.00 -1.50 -2.97 119.26 120.35 2k0f h ALA 11 Ca -0.05 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 2k0f h ALA 11 Cb 1.26 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2k0f h ALA 11 CO 0.12 -0.42 -0.33 0.35 0.00 0.00 0.00 179.25 178.97 2k0f h PHE 12 N 0.00 1.13 0.00 0.00 3.57 -1.01 -2.64 116.94 117.99 2k0f h PHE 12 Ca 0.14 -0.32 -0.14 0.00 3.53 0.00 0.00 57.97 61.18 2k0f h PHE 12 Cb 0.68 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 2k0f h PHE 12 CO 0.00 1.15 -0.68 1.03 -2.23 0.00 0.00 178.31 177.57 2k0f h SER 13 N 0.79 0.00 0.47 0.41 0.87 -1.36 -2.38 113.55 112.34 2k0f h SER 13 Ca 0.08 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2k0f h SER 13 Cb 0.92 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2k0f h SER 13 CO 0.09 0.68 -0.22 0.25 -0.53 0.00 0.00 176.83 177.10 2k0f h LEU 14 N 0.00 -0.53 -0.90 2.23 5.85 -1.33 -3.23 115.31 117.41 2k0f h LEU 14 Ca -0.01 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2k0f h LEU 14 Cb 1.27 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.38 2k0f h LEU 14 CO 0.09 -0.37 0.57 -0.26 -0.34 0.00 0.00 178.44 178.13 2k0f h PHE 15 N -0.63 1.06 -2.83 1.25 0.04 -1.32 -3.44 116.94 111.07 2k0f h PHE 15 Ca -0.06 0.03 -0.56 0.00 2.80 0.00 0.00 57.97 60.17 2k0f h PHE 15 Cb 0.48 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 2k0f h PHE 15 CO -0.04 0.56 0.95 0.34 -0.60 0.00 0.00 178.31 179.52 2k0f s ASP 16 N -5.84 6.87 0.09 2.17 -1.08 -0.91 -4.65 116.67 113.32 2k0f s ASP 16 Ca -0.13 1.86 0.05 0.00 -0.52 0.00 0.00 52.55 53.82 2k0f s ASP 16 Cb 0.19 -2.54 -0.23 0.00 -1.46 0.00 0.00 42.92 38.88 2k0f s ASP 16 CO 0.80 -0.80 1.19 0.11 0.52 0.00 0.00 175.17 176.98 2k0f h LYS 17 N 8.55 0.06 0.00 4.34 1.79 -1.85 -3.37 116.57 126.09 2k0f h LYS 17 Ca -0.31 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 2k0f h LYS 17 Cb 1.13 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2k0f h LYS 17 CO 0.96 1.00 -0.21 -0.44 -1.08 0.00 0.00 179.45 179.68 2k0f h ASP 18 N 0.02 0.00 0.00 0.86 3.32 -1.93 -3.49 116.42 115.19 2k0f h ASP 18 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2k0f h ASP 18 Cb 1.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.38 2k0f h ASP 18 CO 0.14 0.38 0.00 0.61 -1.72 0.00 0.00 179.24 178.65 2k0f n GLY 19 N 1.73 1.05 0.22 2.75 0.00 -1.26 -5.10 105.19 104.58 2k0f n GLY 19 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.00 1.61 5.75 -1.26 -5.06 116.55 117.59 2k0f n ASP 20 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2k0f n ASP 20 Cb 0.00 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 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 2.36 0.00 3.41 6.12 0.00 -1.26 -5.15 105.19 110.67 2k0f n GLY 21 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.08 2.50 -0.19 2.61 -4.23 -1.26 -3.91 115.64 111.09 2k0f s THR 22 Ca 0.00 -1.38 -0.14 0.00 -1.18 0.00 0.00 61.69 58.98 2k0f s THR 22 Cb 0.00 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 2k0f s THR 22 CO 0.00 0.28 0.33 -0.63 -0.54 0.00 0.00 174.62 174.06 2k0f s ILE 23 N -0.93 5.26 0.75 2.99 1.01 -0.19 -4.94 121.20 125.14 2k0f s ILE 23 Ca 0.14 0.59 -0.01 0.00 0.00 0.00 0.00 60.65 61.36 2k0f s ILE 23 Cb -0.10 -3.67 0.14 0.00 0.01 0.00 0.00 42.46 38.84 2k0f s ILE 23 CO 0.05 0.32 1.03 0.42 0.00 0.00 0.00 174.94 176.75 2k0f s THR 24 N 0.93 2.07 0.23 2.92 -4.23 -1.26 -3.00 115.64 113.31 2k0f s THR 24 Ca 0.17 -0.58 0.03 0.00 -1.18 0.00 0.00 61.69 60.13 2k0f s THR 24 Cb -0.14 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.16 2k0f s THR 24 CO 0.06 0.00 1.55 0.71 -0.54 0.00 0.00 174.62 176.40 2k0f h THR 25 N -0.62 1.38 0.00 3.99 1.35 -1.97 -2.62 112.91 114.41 2k0f h THR 25 Ca -0.36 -1.96 -0.12 0.00 -0.55 0.00 0.00 66.41 63.42 2k0f h THR 25 Cb 1.26 1.98 -0.02 0.00 -1.73 0.00 0.00 68.15 69.64 2k0f h THR 25 CO 0.38 0.58 -0.59 0.07 -0.25 0.00 0.00 175.52 175.72 2k0f h LYS 26 N 0.21 0.00 0.20 4.72 2.10 -1.98 -1.46 116.57 120.37 2k0f h LYS 26 Ca -0.01 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 2k0f h LYS 26 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2k0f h LYS 26 CO 0.10 0.59 -0.10 0.93 -2.00 0.00 0.00 179.45 178.97 2k0f h GLU 27 N 0.00 -0.26 -0.90 0.07 5.08 -1.92 -1.56 114.58 115.09 2k0f h GLU 27 Ca -0.01 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.50 2k0f h GLU 27 Cb 1.14 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 30.36 2k0f h GLU 27 CO 0.08 0.07 0.52 -0.07 -1.00 0.00 0.00 179.01 178.61 2k0f h LEU 28 N -0.96 0.72 -0.75 1.33 3.38 -1.55 -2.12 115.31 115.36 2k0f h LEU 28 Ca -0.03 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2k0f h LEU 28 Cb 0.45 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2k0f h LEU 28 CO 0.05 0.36 -0.46 1.23 0.09 0.00 0.00 178.44 179.70 2k0f h GLY 29 N 0.80 0.41 1.44 0.83 0.00 -1.27 -2.18 103.07 103.10 2k0f h GLY 29 Ca 0.46 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 2k0f h GLY 29 CO -0.30 0.39 -0.08 -0.84 0.00 0.00 0.00 176.54 175.71 2k0f h THR 30 N 0.30 1.24 0.18 4.70 2.02 -0.61 0.46 112.91 121.21 2k0f h THR 30 Ca 0.02 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 2k0f h THR 30 Cb 0.93 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2k0f h THR 30 CO 0.08 0.36 -0.09 0.58 0.37 0.00 0.00 175.52 176.82 2k0f h VAL 31 N 0.62 0.93 -0.55 3.16 2.07 -1.21 -1.51 116.25 119.76 2k0f h VAL 31 Ca 0.12 -0.70 0.10 0.00 0.82 0.00 0.00 66.70 67.03 2k0f h VAL 31 Cb 0.50 1.34 -0.11 0.00 -1.52 0.00 0.00 31.29 31.50 2k0f h VAL 31 CO 0.03 0.16 -0.31 0.24 0.02 0.00 0.00 177.57 177.70 2k0f h MET 32 N -0.60 -0.16 -0.64 1.57 2.86 -1.29 -2.10 114.93 114.57 2k0f h MET 32 Ca -0.02 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 2k0f h MET 32 Cb 0.44 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 2k0f h MET 32 CO 0.04 -0.11 0.29 -0.09 1.06 0.00 0.00 176.91 178.10 2k0f h ARG 33 N -0.17 0.94 -0.04 1.72 2.43 -0.82 0.21 114.38 118.65 2k0f h ARG 33 Ca 0.23 -0.15 -0.20 0.00 -0.81 0.00 0.00 59.98 59.04 2k0f h ARG 33 Cb 0.54 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2k0f h ARG 33 CO -0.65 0.77 -0.83 0.77 -1.51 0.00 0.00 179.97 178.52 2k0f h SER 34 N 0.89 0.52 0.63 -3.80 0.02 -1.03 -3.08 113.55 107.70 2k0f h SER 34 Ca 0.22 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 2k0f h SER 34 Cb 0.16 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.55 2k0f h SER 34 CO -0.02 1.15 -0.30 0.25 -1.14 0.00 0.00 176.83 176.76 2k0f h LEU 35 N 0.26 -0.72 0.00 5.07 5.85 -1.29 -3.48 115.31 121.00 2k0f h LEU 35 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2k0f h LEU 35 Cb 1.44 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.65 2k0f h LEU 35 CO 0.14 -0.33 0.00 0.61 -0.34 0.00 0.00 178.44 178.52 2k0f n GLY 36 N -0.48 -0.19 3.79 3.75 0.00 0.15 -5.10 105.19 107.11 2k0f n GLY 36 Ca -0.11 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 2.46 -0.72 1.61 -0.21 0.50 -4.97 119.66 118.33 2k0f s GLN 37 Ca 0.00 -1.54 0.01 0.00 0.02 0.00 0.00 55.36 53.86 2k0f s GLN 37 Cb 0.00 -2.25 0.18 0.00 1.00 0.00 0.00 33.01 31.93 2k0f s GLN 37 CO 0.00 0.01 0.54 -0.80 -2.12 0.00 0.00 175.29 172.92 2k0f s ASN 38 N -3.95 5.21 0.34 5.90 0.01 -1.26 -4.24 114.94 116.94 2k0f s ASN 38 Ca 0.41 -3.50 -0.29 0.00 -0.71 0.00 0.00 52.86 48.77 2k0f s ASN 38 Cb -0.02 -1.77 -0.11 0.00 0.41 0.00 0.00 41.25 39.76 2k0f s ASN 38 CO 0.25 -0.19 1.55 -2.16 -1.51 0.00 0.00 177.10 175.03 2k0f s PRO 39 N -0.99 4.11 -0.25 -0.60 0.04 -1.26 -4.99 135.00 131.06 2k0f s PRO 39 Ca 0.23 2.59 -0.19 0.00 0.04 0.00 0.00 61.00 63.67 2k0f s PRO 39 Cb -0.12 -2.99 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 2k0f s PRO 39 CO -0.10 -0.59 0.55 0.99 0.04 0.00 0.00 177.00 177.89 2k0f s THR 40 N -0.57 5.05 0.11 1.26 2.01 -1.26 -5.00 115.64 117.24 2k0f s THR 40 Ca 0.58 0.97 -0.19 0.00 0.31 0.00 0.00 61.69 63.37 2k0f s THR 40 Cb -0.47 -3.86 -0.06 0.00 0.01 0.00 0.00 72.50 68.11 2k0f s THR 40 CO 0.56 0.09 1.67 -0.08 -0.69 0.00 0.00 174.62 176.16 2k0f h GLU 41 N 7.87 0.37 -1.07 4.92 4.81 -1.98 -1.20 114.58 128.29 2k0f h GLU 41 Ca -0.29 -0.06 0.36 0.00 -0.13 0.00 0.00 59.36 59.24 2k0f h GLU 41 Cb 1.14 -0.06 -0.14 0.00 0.63 0.00 0.00 28.75 30.31 2k0f h GLU 41 CO 0.74 0.38 0.63 0.00 -0.73 0.00 0.00 179.01 180.03 2k0f h ALA 42 N 0.97 2.18 0.20 2.92 0.00 -1.98 0.25 119.26 123.79 2k0f h ALA 42 Ca 0.09 0.17 -0.31 0.00 0.00 0.00 0.00 54.91 54.86 2k0f h ALA 42 Cb 0.14 0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.14 2k0f h ALA 42 CO -0.01 -0.81 -1.41 1.49 0.00 0.00 0.00 179.25 178.52 2k0f h GLU 43 N 0.23 0.42 -0.10 0.00 4.81 -1.87 -2.59 114.58 115.49 2k0f h GLU 43 Ca 0.76 -0.72 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 43 Cb 1.94 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 31.58 2k0f h GLU 43 CO -0.57 1.34 -0.22 1.25 -0.73 0.00 0.00 179.01 180.09 2k0f h LEU 44 N 0.11 0.16 -0.55 1.64 5.85 -0.21 -2.57 115.31 119.74 2k0f h LEU 44 Ca -0.21 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 2k0f h LEU 44 Cb 2.09 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 43.05 2k0f h LEU 44 CO 0.24 0.39 0.07 1.56 -0.34 0.00 0.00 178.44 180.36 2k0f h GLN 45 N 0.15 0.92 -0.58 1.25 4.20 -0.56 -2.46 115.11 118.03 2k0f h GLN 45 Ca 0.03 -0.26 0.06 0.00 0.06 0.00 0.00 58.65 58.54 2k0f h GLN 45 Cb 0.48 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 2k0f h GLN 45 CO 0.03 0.90 0.28 0.22 -0.67 0.00 0.00 178.83 179.60 2k0f h ASP 46 N 0.81 0.39 -0.93 1.46 3.58 -1.25 -0.47 116.42 120.00 2k0f h ASP 46 Ca 0.16 0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.68 2k0f h ASP 46 Cb 0.44 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.41 2k0f h ASP 46 CO 0.01 0.25 0.61 0.24 -2.88 0.00 0.00 179.24 177.48 2k0f h MET 47 N 0.53 1.18 0.90 0.28 2.86 -1.45 -1.62 114.93 117.61 2k0f h MET 47 Ca 0.27 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.79 2k0f h MET 47 Cb 0.22 -0.27 0.01 0.00 0.06 0.00 0.00 31.60 31.62 2k0f h MET 47 CO -0.20 0.78 -0.43 0.82 1.06 0.00 0.00 176.91 178.93 2k0f h ILE 48 N 1.22 0.05 -1.21 -1.22 2.04 -1.33 -3.21 117.51 113.84 2k0f h ILE 48 Ca 0.35 -0.08 0.35 0.00 1.00 0.00 0.00 64.86 66.49 2k0f h ILE 48 Cb -0.08 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.01 2k0f h ILE 48 CO -0.09 0.00 0.88 0.78 0.00 0.00 0.00 178.15 179.73 2k0f h ASN 49 N -1.29 0.00 0.30 1.72 2.35 -0.80 0.89 115.58 118.75 2k0f h ASN 49 Ca -0.12 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.62 2k0f h ASN 49 Cb 0.93 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.27 2k0f h ASN 49 CO 0.20 0.00 -0.45 -0.08 -1.65 0.00 0.00 177.43 175.45 2k0f h GLU 50 N 0.00 -0.76 -0.00 0.81 4.81 -1.33 -3.28 114.58 114.83 2k0f h GLU 50 Ca 0.58 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.86 2k0f h GLU 50 Cb 2.34 0.17 0.00 0.00 0.63 0.00 0.00 28.75 31.89 2k0f h GLU 50 CO -0.01 -0.51 -0.27 1.33 -0.73 0.00 0.00 179.01 178.82 2k0f n VAL 51 N -5.12 0.00 -2.15 0.32 0.24 0.25 -4.77 118.33 107.11 2k0f n VAL 51 Ca -0.09 -0.08 -0.42 0.00 -2.04 0.00 0.00 64.34 61.70 2k0f n VAL 51 Cb 0.39 0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 32.96 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 -2.63 6.01 0.00 -1.34 2.15 0.17 -4.82 116.67 116.20 2k0f s ASP 52 Ca 0.22 0.99 0.00 0.00 0.43 0.00 0.00 52.55 54.19 2k0f s ASP 52 Cb 0.19 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 2k0f s ASP 52 CO 0.55 -1.67 0.16 0.00 -0.17 0.00 0.00 175.17 174.05 2k0f n ALA 53 N 9.95 0.00 -0.79 3.66 0.00 -1.26 -4.82 120.51 127.25 2k0f n ALA 53 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2k0f n ALA 53 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2k0f n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k0f n ASP 54 N -0.33 0.00 0.00 0.00 5.68 -1.26 -4.93 116.55 115.71 2k0f n ASP 54 Ca 0.00 0.13 0.00 0.00 -0.50 0.00 0.00 54.79 54.42 2k0f n ASP 54 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 -0.28 0.00 0.08 6.12 0.00 -1.26 -5.03 105.19 104.82 2k0f n GLY 55 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.62 -0.56 1.61 0.23 -1.26 -4.92 115.26 110.98 2k0f n ASN 56 Ca 0.00 -0.41 -0.07 0.00 -0.53 0.00 0.00 54.58 53.56 2k0f n ASN 56 Cb 0.00 0.13 -0.03 0.00 -2.08 0.00 0.00 39.78 37.80 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 1.43 0.85 3.81 4.83 0.00 -1.26 -5.00 105.19 109.85 2k0f n GLY 57 Ca 0.08 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.99 4.24 -0.27 2.61 -4.23 -1.26 -4.90 115.64 109.84 2k0f s THR 58 Ca 0.00 -1.46 -0.20 0.00 -1.18 0.00 0.00 61.69 58.86 2k0f s THR 58 Cb 0.00 -3.32 -0.02 0.00 1.34 0.00 0.00 72.50 70.50 2k0f s THR 58 CO 0.00 -0.33 0.61 -0.51 -0.54 0.00 0.00 174.62 173.85 2k0f s ILE 59 N -2.17 4.98 0.56 2.99 2.07 -1.16 -4.81 121.20 123.66 2k0f s ILE 59 Ca 0.34 1.00 0.09 0.00 -1.41 0.00 0.00 60.65 60.67 2k0f s ILE 59 Cb -0.07 -3.94 0.07 0.00 0.13 0.00 0.00 42.46 38.65 2k0f s ILE 59 CO 0.25 -0.02 0.70 -1.81 -1.91 0.00 0.00 174.94 172.15 2k0f s ASP 60 N 1.54 5.04 0.02 4.50 1.11 -1.26 -1.02 116.67 126.59 2k0f s ASP 60 Ca 0.25 -0.90 -0.22 0.00 0.18 0.00 0.00 52.55 51.85 2k0f s ASP 60 Cb -0.15 0.26 -0.16 0.00 1.07 0.00 0.00 42.92 43.93 2k0f s ASP 60 CO 0.10 -1.25 1.32 0.15 1.18 0.00 0.00 175.17 176.66 2k0f h PHE 61 N 0.33 0.28 0.00 4.23 3.57 -1.98 -1.55 116.94 121.82 2k0f h PHE 61 Ca -0.32 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2k0f h PHE 61 Cb 1.29 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.97 2k0f h PHE 61 CO 0.54 0.65 0.00 -0.35 -2.23 0.00 0.00 178.31 176.92 2k0f n PRO 62 N -4.66 0.13 0.01 6.41 -0.04 -1.26 -1.06 135.00 134.52 2k0f n PRO 62 Ca -0.07 0.18 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 2k0f n PRO 62 Cb 0.32 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.14 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 0.26 0.00 0.54 5.08 -1.62 -0.83 114.58 118.02 2k0f h GLU 63 Ca 0.00 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2k0f h GLU 63 Cb 0.20 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2k0f h GLU 63 CO 0.00 1.22 0.00 0.34 -1.00 0.00 0.00 179.01 179.57 2k0f n PHE 64 N -3.53 0.00 -0.22 4.33 7.35 -0.87 -0.89 117.46 123.63 2k0f n PHE 64 Ca -0.32 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.38 2k0f n PHE 64 Cb 1.03 -0.46 0.09 0.00 0.35 0.00 0.00 39.48 40.49 2k0f n PHE 64 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2k0f h LEU 65 N 0.00 -0.51 -1.11 -2.13 6.46 -1.16 0.01 115.31 116.86 2k0f h LEU 65 Ca 0.00 0.19 -0.09 0.00 -0.12 0.00 0.00 57.88 57.86 2k0f h LEU 65 Cb 0.00 0.37 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 2k0f h LEU 65 CO 0.00 -0.20 -0.33 0.00 -0.62 0.00 0.00 178.44 177.29 2k0f h THR 66 N 0.03 1.27 0.10 1.05 1.03 -1.14 0.23 112.91 115.48 2k0f h THR 66 Ca 0.33 -1.29 -0.00 0.00 -0.01 0.00 0.00 66.41 65.43 2k0f h THR 66 Cb 0.52 1.56 0.00 0.00 -1.07 0.00 0.00 68.15 69.17 2k0f h THR 66 CO -0.65 0.39 -0.05 -0.03 -0.01 0.00 0.00 175.52 175.17 2k0f h MET 67 N 0.17 -0.13 0.00 0.00 1.85 -0.51 -3.37 114.93 112.95 2k0f h MET 67 Ca 0.02 0.01 -0.18 0.00 -0.61 0.00 0.00 59.70 58.94 2k0f h MET 67 Cb 0.67 0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.70 2k0f h MET 67 CO 0.05 0.14 -1.20 0.52 -0.40 0.00 0.00 176.91 176.02 2k0f h MET 68 N -0.39 0.00 0.00 0.39 2.86 -0.92 -3.31 114.93 113.56 2k0f h MET 68 Ca -0.01 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2k0f h MET 68 Cb 0.32 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 2k0f h MET 68 CO 0.02 0.49 -0.10 0.00 1.06 0.00 0.00 176.91 178.38 2k0f h ALA 69 N 1.29 1.51 -2.65 6.32 0.00 -1.11 -3.43 119.26 121.19 2k0f h ALA 69 Ca -0.13 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.17 2k0f h ALA 69 Cb 1.65 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 19.46 2k0f h ALA 69 CO 0.07 0.12 0.69 1.03 0.00 0.00 0.00 179.25 181.17 2k0f s ARG 70 N -4.49 4.35 0.40 0.00 0.52 -1.25 -5.05 118.95 113.43 2k0f s ARG 70 Ca -0.04 2.10 0.04 0.00 -0.52 0.00 0.00 55.73 57.31 2k0f s ARG 70 Cb 0.15 -3.20 -0.00 0.00 0.52 0.00 0.00 34.95 32.42 2k0f s ARG 70 CO 0.61 -0.34 0.57 0.15 0.02 0.00 0.00 175.30 176.32 2k0f s LYS 71 N 0.22 3.06 0.44 3.54 1.02 -1.26 -5.07 119.74 121.69 2k0f s LYS 71 Ca 0.60 -0.78 0.03 0.00 0.02 0.00 0.00 55.97 55.84 2k0f s LYS 71 Cb -0.37 -2.69 -0.03 0.00 -0.52 0.00 0.00 37.83 34.21 2k0f s LYS 71 CO 0.36 -0.13 0.05 -1.64 -0.92 0.00 0.00 175.35 173.08 2k0f s MET 72 N -4.37 2.02 0.00 1.68 -1.94 -1.26 -5.14 119.30 110.28 2k0f s MET 72 Ca 0.47 -2.23 0.00 0.00 -1.71 0.00 0.00 55.69 52.22 2k0f s MET 72 Cb -0.10 -1.18 0.00 0.00 2.01 0.00 0.00 34.83 35.56 2k0f s MET 72 CO 0.34 -0.33 0.00 0.36 -0.01 0.00 0.00 175.02 175.38 2k0f n LYS 73 N -1.04 0.34 0.03 2.03 2.85 -1.26 -4.56 118.16 116.54 2k0f n LYS 73 Ca -0.11 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.04 2k0f n LYS 73 Cb 0.66 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.96 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2k0f h ASP 74 N 0.00 -0.14 -0.64 -5.58 3.32 -2.02 0.10 116.42 111.47 2k0f h ASP 74 Ca 0.00 -0.41 0.04 0.00 0.02 0.00 0.00 57.03 56.67 2k0f h ASP 74 Cb 0.00 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 2k0f h ASP 74 CO 0.00 0.45 0.42 0.71 -1.72 0.00 0.00 179.24 179.10 2k0f h THR 75 N -0.86 1.08 -0.08 0.35 1.35 -2.00 -2.81 112.91 109.94 2k0f h THR 75 Ca -0.02 -0.25 -0.13 0.00 -0.55 0.00 0.00 66.41 65.46 2k0f h THR 75 Cb 0.55 0.27 0.01 0.00 -1.73 0.00 0.00 68.15 67.24 2k0f h THR 75 CO 0.03 0.14 -0.46 0.44 -0.25 0.00 0.00 175.52 175.41 2k0f h ASP 76 N 0.74 0.55 1.40 5.36 3.32 -1.90 -2.76 116.42 123.13 2k0f h ASP 76 Ca 0.26 -0.66 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2k0f h ASP 76 Cb 0.09 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2k0f h ASP 76 CO -0.07 1.12 0.00 0.28 -1.72 0.00 0.00 179.24 178.85 2k0f h SER 77 N 0.02 0.00 -0.21 6.45 0.02 -0.55 -1.87 113.55 117.41 2k0f h SER 77 Ca -0.03 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.73 2k0f h SER 77 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2k0f h SER 77 CO 0.10 0.00 -0.57 -0.08 -1.14 0.00 0.00 176.83 175.13 2k0f h GLU 78 N 0.00 0.81 -0.30 3.45 4.57 -1.44 -3.29 114.58 118.37 2k0f h GLU 78 Ca 0.00 -0.53 -0.18 0.00 -1.18 0.00 0.00 59.36 57.47 2k0f h GLU 78 Cb 0.70 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.36 2k0f h GLU 78 CO 0.00 1.16 -0.52 1.49 -1.18 0.00 0.00 179.01 179.96 2k0f h GLU 79 N 0.62 0.88 -0.86 1.92 4.57 -1.19 -3.12 114.58 117.39 2k0f h GLU 79 Ca 0.01 -0.54 0.23 0.00 -1.18 0.00 0.00 59.36 57.87 2k0f h GLU 79 Cb 1.17 0.06 -0.14 0.00 -0.16 0.00 0.00 28.75 29.68 2k0f h GLU 79 CO 0.12 1.18 0.20 1.49 -1.18 0.00 0.00 179.01 180.82 2k0f h GLU 80 N 0.68 0.19 -0.20 1.92 4.81 -1.43 0.27 114.58 120.82 2k0f h GLU 80 Ca 0.02 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 80 Cb 1.12 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 2k0f h GLU 80 CO 0.12 0.12 0.01 0.82 -0.73 0.00 0.00 179.01 179.35 2k0f h ILE 81 N 0.19 1.25 -0.71 2.32 2.04 -1.61 -3.10 117.51 117.89 2k0f h ILE 81 Ca 0.53 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 2k0f h ILE 81 Cb 1.06 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 2k0f h ILE 81 CO -0.66 0.26 0.44 0.03 0.00 0.00 0.00 178.15 178.22 2k0f h ARG 82 N 0.12 0.96 0.00 2.37 3.08 -0.98 -2.38 114.38 117.55 2k0f h ARG 82 Ca 0.06 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2k0f h ARG 82 Cb 0.37 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2k0f h ARG 82 CO 0.01 0.66 0.00 0.93 -1.07 0.00 0.00 179.97 180.50 2k0f h GLU 83 N 0.97 0.00 0.13 0.04 4.39 -1.21 -1.49 114.58 117.41 2k0f h GLU 83 Ca 0.26 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.72 2k0f h GLU 83 Cb -0.06 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2k0f h GLU 83 CO -0.05 0.00 -1.15 0.00 -1.16 0.00 0.00 179.01 176.65 2k0f h ALA 84 N 2.16 0.04 -0.85 3.43 0.00 -1.35 -3.25 119.26 119.45 2k0f h ALA 84 Ca 0.00 -0.90 0.11 0.00 0.00 0.00 0.00 54.91 54.12 2k0f h ALA 84 Cb 0.42 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 2k0f h ALA 84 CO 0.00 0.62 0.47 0.35 0.00 0.00 0.00 179.25 180.69 2k0f h PHE 85 N -0.32 0.85 -0.16 0.00 3.57 -1.11 -1.10 116.94 118.68 2k0f h PHE 85 Ca -0.23 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.35 2k0f h PHE 85 Cb 1.73 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 40.21 2k0f h PHE 85 CO 0.16 0.30 0.19 -0.09 -2.23 0.00 0.00 178.31 176.64 2k0f h ARG 86 N 0.75 0.00 0.02 1.11 2.43 -1.42 0.33 114.38 117.61 2k0f h ARG 86 Ca 0.43 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.48 2k0f h ARG 86 Cb 0.47 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2k0f h ARG 86 CO -0.29 0.00 -0.64 0.28 -1.51 0.00 0.00 179.97 177.82 2k0f h VAL 87 N 0.00 1.40 -0.77 0.20 2.07 -1.36 -3.38 116.25 114.41 2k0f h VAL 87 Ca 0.08 -2.32 -0.05 0.00 0.82 0.00 0.00 66.70 65.23 2k0f h VAL 87 Cb 0.45 2.92 -0.03 0.00 -1.52 0.00 0.00 31.29 33.11 2k0f h VAL 87 CO -0.00 0.53 0.30 -0.26 0.02 0.00 0.00 177.57 178.16 2k0f h PHE 88 N -0.87 1.17 -3.60 1.57 0.04 -0.64 -3.43 116.94 111.18 2k0f h PHE 88 Ca -0.16 -0.09 -0.62 0.00 2.80 0.00 0.00 57.97 59.90 2k0f h PHE 88 Cb 1.24 -0.35 -0.12 0.00 2.20 0.00 0.00 35.95 38.91 2k0f h PHE 88 CO 0.20 0.89 0.36 0.34 -0.60 0.00 0.00 178.31 179.49 2k0f s ASP 89 N -6.39 6.45 -0.00 2.17 2.15 0.11 -4.58 116.67 116.59 2k0f s ASP 89 Ca -0.12 0.04 -0.21 0.00 0.43 0.00 0.00 52.55 52.70 2k0f s ASP 89 Cb 0.16 -2.39 -0.11 0.00 -0.30 0.00 0.00 42.92 40.28 2k0f s ASP 89 CO 0.83 -0.85 0.93 0.50 -0.17 0.00 0.00 175.17 176.41 2k0f h LYS 90 N 8.81 -0.72 -0.02 4.34 3.64 -1.85 -3.35 116.57 127.42 2k0f h LYS 90 Ca -0.25 0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.01 2k0f h LYS 90 Cb 1.09 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 2k0f h LYS 90 CO 0.94 -0.48 -0.75 0.38 -2.27 0.00 0.00 179.45 177.28 2k0f h ASP 91 N -1.08 0.18 -0.16 4.20 2.03 -1.93 -3.48 116.42 116.18 2k0f h ASP 91 Ca -0.08 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.10 2k0f h ASP 91 Cb 0.57 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 2k0f h ASP 91 CO 0.12 0.86 0.00 0.61 -1.03 0.00 0.00 179.24 179.81 2k0f n GLY 92 N 0.59 0.69 0.24 7.15 0.00 -1.26 -4.99 105.19 107.61 2k0f n GLY 92 Ca -0.02 -0.72 0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 0.00 1.61 -1.07 -1.93 -3.46 115.58 110.73 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 93 Cb 0.84 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.09 2k0f h ASN 93 CO 0.00 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 2k0f n GLY 94 N 0.60 1.86 3.62 9.14 0.00 -1.26 -5.11 105.19 114.04 2k0f n GLY 94 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.91 -1.01 -0.17 1.61 2.02 -1.26 -4.41 117.35 112.21 2k0f s TYR 95 Ca 0.00 2.07 -0.19 0.00 -0.37 0.00 0.00 57.07 58.58 2k0f s TYR 95 Cb 0.00 0.57 -0.03 0.00 -0.40 0.00 0.00 41.96 42.10 2k0f s TYR 95 CO 0.00 -0.50 0.55 0.42 -1.57 0.00 0.00 175.55 174.45 2k0f s ILE 96 N 1.46 5.10 0.52 2.71 1.01 -1.02 -4.70 121.20 126.28 2k0f s ILE 96 Ca -0.09 1.06 0.03 0.00 0.00 0.00 0.00 60.65 61.65 2k0f s ILE 96 Cb -0.05 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.54 2k0f s ILE 96 CO -0.17 0.20 0.17 -0.55 0.00 0.00 0.00 174.94 174.59 2k0f s SER 97 N 1.01 4.34 0.02 3.58 0.15 -1.26 -3.06 113.70 118.47 2k0f s SER 97 Ca 0.27 -1.47 -0.10 0.00 0.70 0.00 0.00 55.95 55.35 2k0f s SER 97 Cb -0.16 0.44 -0.05 0.00 -1.71 0.00 0.00 66.02 64.54 2k0f s SER 97 CO 0.11 -0.94 1.15 0.00 1.20 0.00 0.00 173.24 174.76 2k0f h ALA 98 N 1.12 -0.96 -0.91 5.45 0.00 -1.97 -1.72 119.26 120.27 2k0f h ALA 98 Ca -0.41 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.45 2k0f h ALA 98 Cb 1.31 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 19.33 2k0f h ALA 98 CO 0.67 -0.95 0.60 0.00 0.00 0.00 0.00 179.25 179.58 2k0f h ALA 99 N -1.65 1.37 -0.63 0.00 0.00 -1.98 -1.75 119.26 114.61 2k0f h ALA 99 Ca -0.02 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2k0f h ALA 99 Cb 0.25 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2k0f h ALA 99 CO 0.01 0.58 0.37 0.93 0.00 0.00 0.00 179.25 181.14 2k0f h GLU 100 N 1.21 0.68 -0.47 0.00 5.08 -1.87 0.92 114.58 120.13 2k0f h GLU 100 Ca 0.34 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.56 2k0f h GLU 100 Cb -0.11 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 2k0f h GLU 100 CO -0.08 0.45 -0.11 1.25 -1.00 0.00 0.00 179.01 179.51 2k0f h LEU 101 N 0.70 0.92 -0.64 1.33 5.85 -1.13 -2.26 115.31 120.08 2k0f h LEU 101 Ca 0.27 -0.36 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 2k0f h LEU 101 Cb 0.11 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2k0f h LEU 101 CO -0.15 1.07 0.14 -0.09 -0.34 0.00 0.00 178.44 179.07 2k0f h ARG 102 N 0.76 1.04 0.04 1.25 2.43 -0.91 0.89 114.38 119.88 2k0f h ARG 102 Ca 0.12 -0.26 0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2k0f h ARG 102 Cb 0.66 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 2k0f h ARG 102 CO 0.05 0.95 -0.17 1.25 -1.51 0.00 0.00 179.97 180.53 2k0f h HIS 103 N 0.96 -0.44 -0.67 2.20 2.76 -0.89 0.22 115.15 119.28 2k0f h HIS 103 Ca 0.20 0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.52 2k0f h HIS 103 Cb 0.39 0.19 -0.12 0.00 1.55 0.00 0.00 27.41 29.42 2k0f h HIS 103 CO 0.03 -0.25 -0.09 0.28 -1.30 0.00 0.00 177.93 176.60 2k0f h VAL 104 N -0.30 0.37 0.00 5.26 2.07 -1.11 -0.56 116.25 121.98 2k0f h VAL 104 Ca 0.04 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 2k0f h VAL 104 Cb 0.35 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2k0f h VAL 104 CO -0.13 0.01 -0.26 -0.03 0.02 0.00 0.00 177.57 177.18 2k0f h MET 105 N 0.04 0.00 0.07 1.57 -1.53 -0.52 -2.23 114.93 112.33 2k0f h MET 105 Ca 0.34 0.00 -0.27 0.00 -3.44 0.00 0.00 59.70 56.33 2k0f h MET 105 Cb 0.55 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.58 2k0f h MET 105 CO -0.65 0.26 -1.31 1.15 0.14 0.00 0.00 176.91 176.50 2k0f h THR 106 N 0.00 1.39 0.00 -0.77 2.02 0.12 -2.52 112.91 113.14 2k0f h THR 106 Ca -0.00 -3.06 -0.05 0.00 0.77 0.00 0.00 66.41 64.08 2k0f h THR 106 Cb 0.47 2.79 -0.01 0.00 -1.74 0.00 0.00 68.15 69.67 2k0f h THR 106 CO 0.03 0.85 -1.74 0.59 0.37 0.00 0.00 175.52 175.63 2k0f n ASN 107 N -3.39 0.28 -0.26 4.18 3.02 -0.28 -2.64 115.26 116.18 2k0f n ASN 107 Ca -0.09 0.11 0.01 0.00 -0.03 0.00 0.00 54.58 54.58 2k0f n ASN 107 Cb 1.01 1.38 0.22 0.00 -0.61 0.00 0.00 39.78 41.77 2k0f n ASN 107 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2k0f h LEU 108 N 0.00 0.92 0.00 3.41 3.38 -1.53 -3.41 115.31 118.08 2k0f h LEU 108 Ca -0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2k0f h LEU 108 Cb 1.15 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2k0f h LEU 108 CO 0.01 0.66 0.00 0.61 0.09 0.00 0.00 178.44 179.80 2k0f n GLY 109 N -1.41 0.68 3.52 0.83 0.00 -1.08 -4.69 105.19 103.04 2k0f n GLY 109 Ca 0.10 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 2k0f n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0f s GLU 110 N -0.40 3.36 -1.49 1.61 2.56 -0.96 -4.94 118.70 118.44 2k0f s GLU 110 Ca 0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 54.97 54.35 2k0f s GLU 110 Cb 0.00 -2.79 0.01 0.00 2.00 0.00 0.00 34.13 33.35 2k0f s GLU 110 CO 0.00 0.38 2.64 1.63 -0.56 0.00 0.00 175.26 179.35 2k0f n LYS 111 N 3.10 3.98 -2.90 4.30 5.02 -1.26 -4.49 118.16 125.91 2k0f n LYS 111 Ca -0.18 -2.77 -0.32 0.00 -2.02 0.00 0.00 58.31 53.02 2k0f n LYS 111 Cb 0.53 -2.78 -0.06 0.00 -0.02 0.00 0.00 35.03 32.70 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 -0.57 3.93 0.46 -0.35 2.34 -1.26 -5.09 118.68 118.15 2k0f s LEU 112 Ca 0.61 1.42 0.05 0.00 0.06 0.00 0.00 54.13 56.27 2k0f s LEU 112 Cb 0.17 -4.27 0.02 0.00 -0.56 0.00 0.00 46.19 41.55 2k0f s LEU 112 CO -0.07 -0.33 0.64 0.42 -1.06 0.00 0.00 176.35 175.95 2k0f s THR 113 N -2.18 3.00 0.33 5.48 -4.23 -1.26 -5.00 115.64 111.78 2k0f s THR 113 Ca 0.57 -0.85 0.11 0.00 -1.18 0.00 0.00 61.69 60.33 2k0f s THR 113 Cb -0.10 -3.05 0.33 0.00 1.34 0.00 0.00 72.50 71.02 2k0f s THR 113 CO 0.20 -0.03 1.76 0.44 -0.54 0.00 0.00 174.62 176.45 2k0f h ASP 114 N 0.44 0.65 0.30 3.99 3.32 -2.01 -2.78 116.42 120.34 2k0f h ASP 114 Ca -0.41 0.11 -0.17 0.00 0.02 0.00 0.00 57.03 56.58 2k0f h ASP 114 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 2k0f h ASP 114 CO 0.49 0.15 -0.68 -0.33 -1.72 0.00 0.00 179.24 177.15 2k0f h GLU 115 N 0.59 0.34 -0.30 3.56 3.07 -2.00 -3.10 114.58 116.74 2k0f h GLU 115 Ca 0.61 -0.26 -0.09 0.00 -0.50 0.00 0.00 59.36 59.12 2k0f h GLU 115 Cb 1.19 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 2k0f h GLU 115 CO -0.40 0.89 -0.20 0.93 -1.40 0.00 0.00 179.01 178.83 2k0f h GLU 116 N 0.24 0.56 -0.18 2.33 4.39 -1.88 -2.75 114.58 117.28 2k0f h GLU 116 Ca -0.02 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 2k0f h GLU 116 Cb 1.23 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 2k0f h GLU 116 CO 0.11 0.73 0.02 0.28 -1.16 0.00 0.00 179.01 178.99 2k0f h VAL 117 N 0.50 1.24 -0.15 3.13 2.07 -1.55 -2.27 116.25 119.22 2k0f h VAL 117 Ca 0.08 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 2k0f h VAL 117 Cb 0.63 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2k0f h VAL 117 CO 0.04 0.24 -0.05 -0.78 0.02 0.00 0.00 177.57 177.04 2k0f h ASP 118 N 0.08 0.30 -0.98 0.57 1.82 -1.44 -0.02 116.42 116.75 2k0f h ASP 118 Ca 0.05 -0.39 0.33 0.00 -0.39 0.00 0.00 57.03 56.64 2k0f h ASP 118 Cb 0.34 -0.08 -0.16 0.00 0.68 0.00 0.00 39.33 40.11 2k0f h ASP 118 CO 0.01 0.62 0.47 -0.08 -1.61 0.00 0.00 179.24 178.64 2k0f h GLU 119 N -0.03 0.19 0.02 0.28 4.81 -1.58 -1.10 114.58 117.18 2k0f h GLU 119 Ca 0.04 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 119 Cb 0.49 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2k0f h GLU 119 CO 0.02 0.13 -0.01 1.98 -0.73 0.00 0.00 179.01 180.39 2k0f h MET 120 N 0.20 -0.03 -0.20 1.92 4.05 -0.63 -1.40 114.93 118.84 2k0f h MET 120 Ca 0.73 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 60.14 2k0f h MET 120 Cb 1.71 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.51 2k0f h MET 120 CO -0.68 0.54 0.10 0.82 0.23 0.00 0.00 176.91 177.91 2k0f h ILE 121 N -0.63 1.13 -0.25 1.77 2.04 -1.01 -2.74 117.51 117.83 2k0f h ILE 121 Ca -0.00 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 2k0f h ILE 121 Cb 0.58 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2k0f h ILE 121 CO 0.01 0.13 0.04 0.03 0.00 0.00 0.00 178.15 178.35 2k0f h ARG 122 N 0.20 0.36 -0.69 2.37 3.08 -1.16 -1.69 114.38 116.85 2k0f h ARG 122 Ca 0.07 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.14 2k0f h ARG 122 Cb 0.11 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 2k0f h ARG 122 CO -0.01 0.36 0.45 1.49 -1.07 0.00 0.00 179.97 181.19 2k0f h GLU 123 N 0.35 0.64 0.20 0.04 4.81 -0.94 -3.26 114.58 116.43 2k0f h GLU 123 Ca 0.08 -0.04 -0.32 0.00 -0.13 0.00 0.00 59.36 58.96 2k0f h GLU 123 Cb 0.18 -0.15 0.02 0.00 0.63 0.00 0.00 28.75 29.44 2k0f h GLU 123 CO -0.00 0.43 -1.50 0.00 -0.73 0.00 0.00 179.01 177.20 2k0f h ALA 124 N 1.63 -0.00 -2.47 2.92 0.00 -1.24 -3.46 119.26 116.64 2k0f h ALA 124 Ca 0.30 -0.97 -0.54 0.00 0.00 0.00 0.00 54.91 53.70 2k0f h ALA 124 Cb 0.33 0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2k0f h ALA 124 CO -0.10 0.79 0.75 0.34 0.00 0.00 0.00 179.25 181.03 2k0f s ASP 125 N -7.35 6.87 -0.25 0.00 2.15 -0.80 -4.90 116.67 112.38 2k0f s ASP 125 Ca -0.13 2.21 -0.05 0.00 0.43 0.00 0.00 52.55 55.00 2k0f s ASP 125 Cb 0.04 -2.58 -0.17 0.00 -0.30 0.00 0.00 42.92 39.92 2k0f s ASP 125 CO 0.88 -0.66 -0.17 -0.38 -0.17 0.00 0.00 175.17 174.67 2k0f n ILE 126 N 4.23 1.54 0.00 4.11 2.08 -1.26 -4.87 119.36 125.19 2k0f n ILE 126 Ca 0.12 -0.49 0.00 0.00 0.56 0.00 0.00 62.75 62.93 2k0f n ILE 126 Cb 0.43 -1.63 0.00 0.00 -0.75 0.00 0.00 39.64 37.69 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2k0f n ASP 127 N -3.65 0.00 0.00 4.38 5.68 -1.26 -5.05 116.55 116.65 2k0f n ASP 127 Ca -0.46 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.83 2k0f n ASP 127 Cb 0.95 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.93 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 2.65 0.00 0.12 6.12 0.00 -1.26 -5.00 105.19 107.82 2k0f n GLY 128 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 1.71 0.00 1.61 5.68 -1.26 -4.99 116.55 119.30 2k0f n ASP 129 Ca 0.00 0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 2k0f n ASP 129 Cb 0.00 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.43 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 1.90 0.82 3.18 6.12 0.00 -1.26 -5.08 105.19 110.87 2k0f n GLY 130 Ca -0.29 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.66 1.86 -0.34 1.61 -1.52 -1.26 -4.83 119.66 114.51 2k0f s GLN 131 Ca 0.00 -0.70 -0.09 0.00 -1.95 0.00 0.00 55.36 52.63 2k0f s GLN 131 Cb 0.00 -1.66 0.02 0.00 -0.22 0.00 0.00 33.01 31.15 2k0f s GLN 131 CO 0.00 0.33 0.14 0.08 -0.25 0.00 0.00 175.29 175.60 2k0f s VAL 132 N -0.18 4.20 0.29 1.09 1.01 -1.17 -4.90 120.40 120.73 2k0f s VAL 132 Ca 0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 2k0f s VAL 132 Cb -0.11 -3.30 0.06 0.00 0.00 0.00 0.00 36.38 33.04 2k0f s VAL 132 CO 0.01 -0.12 0.40 -0.46 0.00 0.00 0.00 175.10 174.93 2k0f n ASN 133 N 4.91 0.22 -0.18 3.32 0.23 -1.26 -2.45 115.26 120.05 2k0f n ASN 133 Ca -0.13 -1.26 -0.10 0.00 -0.53 0.00 0.00 54.58 52.56 2k0f n ASN 133 Cb 0.46 -0.29 0.01 0.00 -2.08 0.00 0.00 39.78 37.88 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 -0.90 1.13 0.17 -2.53 5.03 -1.99 -0.66 116.97 117.22 2k0f h TYR 134 Ca -0.13 -0.24 -0.01 0.00 2.58 0.00 0.00 58.73 60.93 2k0f h TYR 134 Cb 0.40 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.41 2k0f h TYR 134 CO 0.00 1.06 -0.08 1.49 -1.32 0.00 0.00 178.16 179.31 2k0f h GLU 135 N 0.88 -0.22 -1.00 1.82 4.81 -1.97 -0.71 114.58 118.19 2k0f h GLU 135 Ca 0.13 0.02 0.25 0.00 -0.13 0.00 0.00 59.36 59.63 2k0f h GLU 135 Cb 0.69 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.03 2k0f h GLU 135 CO 0.05 -0.10 0.65 0.93 -0.73 0.00 0.00 179.01 179.82 2k0f h GLU 136 N -0.29 0.38 -0.34 1.92 5.08 -1.94 0.14 114.58 119.54 2k0f h GLU 136 Ca -0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2k0f h GLU 136 Cb 0.22 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2k0f h GLU 136 CO 0.04 0.25 0.19 0.35 -1.00 0.00 0.00 179.01 178.83 2k0f h PHE 137 N 0.39 0.46 -0.24 4.33 3.57 0.38 -0.58 116.94 125.26 2k0f h PHE 137 Ca 0.55 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.96 2k0f h PHE 137 Cb 1.42 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 2k0f h PHE 137 CO -0.00 0.37 -0.15 0.28 -2.23 0.00 0.00 178.31 176.57 2k0f h VAL 138 N 0.42 1.31 -0.03 1.41 2.07 -0.95 -1.97 116.25 118.51 2k0f h VAL 138 Ca 0.12 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 2k0f h VAL 138 Cb 0.06 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2k0f h VAL 138 CO -0.02 0.39 -0.10 -0.61 0.02 0.00 0.00 177.57 177.25 2k0f h GLN 139 N 0.23 0.05 0.19 1.57 4.15 -0.77 0.41 115.11 120.95 2k0f h GLN 139 Ca 0.05 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2k0f h GLN 139 Cb 0.68 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.36 2k0f h GLN 139 CO 0.04 0.16 -0.09 1.98 -1.93 0.00 0.00 178.83 178.99 2k0f h MET 140 N 0.05 -0.25 0.00 1.69 4.05 -0.81 -3.32 114.93 116.34 2k0f h MET 140 Ca 0.01 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2k0f h MET 140 Cb 0.22 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 2k0f h MET 140 CO 0.01 0.15 0.00 0.00 0.23 0.00 0.00 176.91 177.30 2k0f n MET 141 N -4.96 0.04 0.00 0.39 0.00 -0.77 -5.09 117.12 106.73 2k0f n MET 141 Ca -0.08 0.12 0.12 0.00 0.00 0.00 0.00 57.70 57.86 2k0f n MET 141 Cb 0.26 -1.56 0.16 0.00 0.00 0.00 0.00 33.22 32.08 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22