#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 0.33 -0.55 -0.78 4.39 -2.05 -0.30 114.58 115.62 2k0f h GLU 2 Ca 0.00 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 2k0f h GLU 2 Cb 0.00 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2k0f h GLU 2 CO 0.00 0.39 0.12 1.05 -1.16 0.00 0.00 179.01 179.41 2k0f h GLU 3 N 0.32 0.85 -0.13 2.33 -0.00 -2.05 -1.18 114.58 114.72 2k0f h GLU 3 Ca 0.07 -0.18 -0.04 0.00 -0.00 0.00 0.00 59.36 59.21 2k0f h GLU 3 Cb 0.28 -0.12 -0.00 0.00 -0.00 0.00 0.00 28.75 28.90 2k0f h GLU 3 CO 0.01 0.77 -0.07 0.37 -0.00 0.00 0.00 179.01 180.09 2k0f h GLN 4 N 0.82 0.28 -0.81 1.06 4.15 -1.52 -1.04 115.11 118.05 2k0f h GLN 4 Ca 0.18 -0.13 0.17 0.00 0.77 0.00 0.00 58.65 59.64 2k0f h GLN 4 Cb 0.32 -0.01 -0.11 0.00 0.21 0.00 0.00 27.48 27.90 2k0f h GLN 4 CO 0.00 0.63 0.34 0.82 -1.93 0.00 0.00 178.83 178.69 2k0f h ILE 5 N -0.07 0.60 -0.34 2.39 1.08 -1.24 0.34 117.51 120.28 2k0f h ILE 5 Ca 0.03 -0.15 -0.02 0.00 -0.39 0.00 0.00 64.86 64.33 2k0f h ILE 5 Cb 0.55 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 2k0f h ILE 5 CO 0.02 0.08 0.13 0.00 -0.69 0.00 0.00 178.15 177.70 2k0f h ALA 6 N 1.61 1.61 0.00 1.87 0.00 -1.09 -2.13 119.26 121.12 2k0f h ALA 6 Ca 0.47 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 55.11 2k0f h ALA 6 Cb 0.77 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2k0f h ALA 6 CO -0.45 0.31 -0.83 1.49 0.00 0.00 0.00 179.25 179.77 2k0f h GLU 7 N 0.47 0.00 0.00 0.00 4.81 0.40 -2.74 114.58 117.52 2k0f h GLU 7 Ca 0.12 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 2k0f h GLU 7 Cb 0.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2k0f h GLU 7 CO -0.01 0.83 -0.21 0.74 -0.73 0.00 0.00 179.01 179.63 2k0f h PHE 8 N 0.00 0.00 -0.01 0.92 0.04 -1.17 -3.20 116.94 113.52 2k0f h PHE 8 Ca -0.01 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.67 2k0f h PHE 8 Cb 1.55 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.68 2k0f h PHE 8 CO 0.00 0.21 -0.42 -0.22 -0.60 0.00 0.00 178.31 177.28 2k0f h LYS 9 N 0.00 0.02 0.00 1.51 3.64 -1.06 -2.48 116.57 118.19 2k0f h LYS 9 Ca -0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2k0f h LYS 9 Cb 0.47 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2k0f h LYS 9 CO 0.03 0.44 -0.04 0.93 -2.27 0.00 0.00 179.45 178.54 2k0f h GLU 10 N 0.02 0.00 0.02 1.90 4.39 -1.60 0.12 114.58 119.43 2k0f h GLU 10 Ca -0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 2k0f h GLU 10 Cb 0.75 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.42 2k0f h GLU 10 CO 0.06 0.04 -0.93 0.00 -1.16 0.00 0.00 179.01 177.01 2k0f h ALA 11 N 1.96 0.09 0.42 3.43 0.00 -1.63 -2.69 119.26 120.84 2k0f h ALA 11 Ca -0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 2k0f h ALA 11 Cb 0.87 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2k0f h ALA 11 CO 0.00 0.58 -0.37 0.35 0.00 0.00 0.00 179.25 179.81 2k0f h PHE 12 N 0.22 -1.01 0.00 0.00 3.57 -1.13 -3.10 116.94 115.49 2k0f h PHE 12 Ca -0.12 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.38 2k0f h PHE 12 Cb 1.61 0.39 0.00 0.00 2.79 0.00 0.00 35.95 40.74 2k0f h PHE 12 CO 0.12 -0.53 0.00 0.43 -2.23 0.00 0.00 178.31 176.10 2k0f n SER 13 N -5.48 0.65 -0.28 0.41 7.64 0.00 -0.42 113.62 116.14 2k0f n SER 13 Ca -0.11 0.67 0.04 0.00 1.01 0.00 0.00 58.87 60.48 2k0f n SER 13 Cb 0.38 -0.80 0.18 0.00 -1.01 0.00 0.00 64.21 62.96 2k0f n SER 13 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k0f h LEU 14 N 0.00 0.60 0.07 -3.43 5.85 -1.39 -3.18 115.31 113.82 2k0f h LEU 14 Ca 0.00 0.06 -0.28 0.00 0.84 0.00 0.00 57.88 58.51 2k0f h LEU 14 Cb 0.34 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2k0f h LEU 14 CO 0.00 0.32 -1.47 -0.26 -0.34 0.00 0.00 178.44 176.69 2k0f h PHE 15 N 0.71 0.28 -2.73 1.25 0.04 -1.34 -3.47 116.94 111.68 2k0f h PHE 15 Ca 0.41 -0.20 -0.57 0.00 2.80 0.00 0.00 57.97 60.40 2k0f h PHE 15 Cb 0.45 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.56 2k0f h PHE 15 CO -0.08 1.58 1.22 0.34 -0.60 0.00 0.00 178.31 180.77 2k0f s ASP 16 N -6.94 6.06 -0.16 2.17 2.15 0.44 -4.69 116.67 115.70 2k0f s ASP 16 Ca -0.24 1.38 -0.14 0.00 0.43 0.00 0.00 52.55 53.99 2k0f s ASP 16 Cb 0.05 -2.53 -0.05 0.00 -0.30 0.00 0.00 42.92 40.10 2k0f s ASP 16 CO 0.70 -1.56 -0.27 0.29 -0.17 0.00 0.00 175.17 174.16 2k0f n LYS 17 N 8.19 0.47 -3.16 4.34 4.76 -1.26 -4.72 118.16 126.79 2k0f n LYS 17 Ca 0.21 0.32 -0.39 0.00 -2.87 0.00 0.00 58.31 55.58 2k0f n LYS 17 Cb 0.46 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 32.12 2k0f n LYS 17 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2k0f s ASP 18 N -5.73 6.91 -1.22 4.39 1.47 -1.26 -4.99 116.67 116.23 2k0f s ASP 18 Ca -0.22 1.08 -0.09 0.00 1.18 0.00 0.00 52.55 54.50 2k0f s ASP 18 Cb 0.03 -2.37 0.20 0.00 -0.34 0.00 0.00 42.92 40.44 2k0f s ASP 18 CO 0.33 -0.02 1.69 0.61 0.68 0.00 0.00 175.17 178.46 2k0f n GLY 19 N 2.96 4.58 0.10 2.12 0.00 -1.26 -4.57 105.19 109.12 2k0f n GLY 19 Ca -0.04 -2.21 -0.18 0.00 0.00 0.00 0.00 46.02 43.58 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 3.64 1.87 0.00 1.61 5.75 -1.26 -5.02 116.55 123.13 2k0f n ASP 20 Ca 0.36 0.45 0.00 0.00 -0.01 0.00 0.00 54.79 55.59 2k0f n ASP 20 Cb 0.37 -0.90 0.00 0.00 -1.03 0.00 0.00 41.12 39.55 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 1.45 0.10 3.10 6.12 0.00 -1.26 -5.16 105.19 109.54 2k0f n GLY 21 Ca -0.29 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 0.62 -0.29 2.61 -4.23 -1.26 -3.59 115.64 109.51 2k0f s THR 22 Ca 0.00 -1.30 -0.06 0.00 -1.18 0.00 0.00 61.69 59.14 2k0f s THR 22 Cb 0.00 -0.90 0.01 0.00 1.34 0.00 0.00 72.50 72.95 2k0f s THR 22 CO 0.00 -0.49 0.07 -0.63 -0.54 0.00 0.00 174.62 173.03 2k0f s ILE 23 N -1.91 3.88 0.89 2.99 1.01 -0.08 -4.89 121.20 123.08 2k0f s ILE 23 Ca -0.04 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 59.75 2k0f s ILE 23 Cb -0.06 -3.00 0.13 0.00 0.01 0.00 0.00 42.46 39.53 2k0f s ILE 23 CO -0.01 0.08 1.20 0.42 0.00 0.00 0.00 174.94 176.63 2k0f s THR 24 N 1.48 1.98 0.23 2.92 -4.23 -1.26 -1.69 115.64 115.07 2k0f s THR 24 Ca 0.02 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.45 2k0f s THR 24 Cb -0.17 -2.91 0.23 0.00 1.34 0.00 0.00 72.50 70.98 2k0f s THR 24 CO 0.02 0.00 1.66 0.71 -0.54 0.00 0.00 174.62 176.47 2k0f h THR 25 N -1.37 0.45 -0.11 3.99 1.35 -1.94 -2.36 112.91 112.92 2k0f h THR 25 Ca -0.47 -0.05 -0.13 0.00 -0.55 0.00 0.00 66.41 65.22 2k0f h THR 25 Cb 1.31 0.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 2k0f h THR 25 CO 0.57 0.02 -0.50 0.11 -0.25 0.00 0.00 175.52 175.48 2k0f h LYS 26 N 0.14 0.28 0.00 4.72 6.56 -1.98 0.87 116.57 127.16 2k0f h LYS 26 Ca 0.36 -0.16 -0.06 0.00 -1.06 0.00 0.00 60.65 59.73 2k0f h LYS 26 Cb 0.61 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.27 2k0f h LYS 26 CO -0.57 0.72 -0.28 0.93 -2.06 0.00 0.00 179.45 178.19 2k0f h GLU 27 N 0.22 0.00 0.16 3.15 5.08 -1.79 -2.47 114.58 118.93 2k0f h GLU 27 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 27 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2k0f h GLU 27 CO 0.08 0.28 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.23 2k0f h LEU 28 N 0.00 -0.18 -0.85 1.33 3.38 -1.03 -3.37 115.31 114.59 2k0f h LEU 28 Ca -0.00 -0.28 0.21 0.00 0.09 0.00 0.00 57.88 57.90 2k0f h LEU 28 Cb 1.21 0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.86 2k0f h LEU 28 CO 0.04 0.38 0.09 1.23 0.09 0.00 0.00 178.44 180.27 2k0f h GLY 29 N -0.96 1.11 0.83 0.83 0.00 -0.65 -0.04 103.07 104.19 2k0f h GLY 29 Ca -0.02 0.07 0.08 0.00 0.00 0.00 0.00 47.33 47.46 2k0f h GLY 29 CO 0.04 -0.36 0.55 0.00 0.00 0.00 0.00 176.54 176.76 2k0f h THR 30 N 0.12 1.00 0.02 4.70 1.03 -1.64 -0.56 112.91 117.57 2k0f h THR 30 Ca 0.50 -0.30 -0.12 0.00 -0.01 0.00 0.00 66.41 66.49 2k0f h THR 30 Cb 0.97 0.06 0.01 0.00 -1.07 0.00 0.00 68.15 68.11 2k0f h THR 30 CO -0.72 0.16 -0.46 0.58 -0.01 0.00 0.00 175.52 175.07 2k0f h VAL 31 N 0.86 1.50 0.01 0.00 2.07 -1.22 -3.16 116.25 116.31 2k0f h VAL 31 Ca 0.38 -2.09 0.03 0.00 0.82 0.00 0.00 66.70 65.84 2k0f h VAL 31 Cb 0.34 2.77 -0.05 0.00 -1.52 0.00 0.00 31.29 32.82 2k0f h VAL 31 CO -0.15 0.59 -0.39 0.24 0.02 0.00 0.00 177.57 177.88 2k0f h MET 32 N -0.33 -0.54 0.00 1.57 2.07 -1.11 -2.61 114.93 113.98 2k0f h MET 32 Ca -0.06 0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 2k0f h MET 32 Cb 1.22 0.12 0.00 0.00 -1.87 0.00 0.00 31.60 31.07 2k0f h MET 32 CO 0.09 -0.36 0.00 2.89 1.07 0.00 0.00 176.91 180.60 2k0f n ARG 33 N -5.44 0.03 0.07 1.72 1.85 -0.23 -0.19 116.66 114.47 2k0f n ARG 33 Ca -0.06 0.25 -0.21 0.00 -1.00 0.00 0.00 57.85 56.83 2k0f n ARG 33 Cb 0.36 -1.50 -0.15 0.00 -1.05 0.00 0.00 32.46 30.12 2k0f n ARG 33 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 2k0f h SER 34 N 0.00 0.57 0.00 2.89 0.02 -1.43 -3.41 113.55 112.19 2k0f h SER 34 Ca 0.00 -0.82 -0.25 0.00 -0.84 0.00 0.00 61.79 59.88 2k0f h SER 34 Cb 0.22 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 2k0f h SER 34 CO 0.00 1.69 -1.38 0.18 -1.14 0.00 0.00 176.83 176.18 2k0f n LEU 35 N -3.56 1.87 0.00 5.07 4.77 -1.08 -5.02 117.00 119.05 2k0f n LEU 35 Ca -0.22 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2k0f n LEU 35 Cb 1.07 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2k0f n LEU 35 CO 0.52 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 2k0f n GLY 36 N 1.42 3.89 3.77 -0.72 0.00 0.74 -4.75 105.19 109.55 2k0f n GLY 36 Ca -0.34 -1.72 -0.24 0.00 0.00 0.00 0.00 46.02 43.73 2k0f n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k0f n GLN 37 N 0.00 -0.33 -2.98 1.61 6.02 -1.26 -4.40 117.38 116.05 2k0f n GLN 37 Ca 0.00 -2.52 -0.41 0.00 -0.01 0.00 0.00 57.00 54.06 2k0f n GLN 37 Cb 0.00 -0.78 -0.05 0.00 1.02 0.00 0.00 30.24 30.43 2k0f n GLN 37 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2k0f s ASN 38 N -5.11 6.78 0.90 1.08 0.01 -1.26 -3.30 114.94 114.03 2k0f s ASN 38 Ca 0.66 0.96 -0.14 0.00 -0.71 0.00 0.00 52.86 53.64 2k0f s ASN 38 Cb -0.03 -2.40 0.14 0.00 0.41 0.00 0.00 41.25 39.36 2k0f s ASN 38 CO 0.45 -0.41 1.20 -2.84 -1.51 0.00 0.00 177.10 173.98 2k0f s PRO 39 N 2.43 1.19 0.31 -0.60 0.02 -1.26 -5.07 135.00 132.02 2k0f s PRO 39 Ca 0.33 0.02 0.08 0.00 0.02 0.00 0.00 61.00 61.45 2k0f s PRO 39 Cb -0.16 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 2k0f s PRO 39 CO 0.09 -2.11 0.12 0.95 -0.33 0.00 0.00 177.00 175.72 2k0f s THR 40 N -3.53 3.33 0.12 0.99 -4.23 -1.26 -5.04 115.64 106.01 2k0f s THR 40 Ca 0.66 -1.70 -0.21 0.00 -1.18 0.00 0.00 61.69 59.27 2k0f s THR 40 Cb -0.10 -3.00 -0.06 0.00 1.34 0.00 0.00 72.50 70.67 2k0f s THR 40 CO 0.52 -0.25 1.72 -0.33 -0.54 0.00 0.00 174.62 175.73 2k0f h GLU 41 N 1.61 0.00 -0.80 3.99 4.39 -1.98 -2.42 114.58 119.37 2k0f h GLU 41 Ca -0.44 -0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.44 2k0f h GLU 41 Cb 1.25 -0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.78 2k0f h GLU 41 CO 0.62 0.00 0.24 0.00 -1.16 0.00 0.00 179.01 178.71 2k0f h ALA 42 N 1.14 1.12 0.12 3.43 0.00 -2.00 -1.41 119.26 121.67 2k0f h ALA 42 Ca 0.07 0.18 -0.28 0.00 0.00 0.00 0.00 54.91 54.88 2k0f h ALA 42 Cb 0.10 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2k0f h ALA 42 CO -0.14 -0.35 -1.30 0.93 0.00 0.00 0.00 179.25 178.39 2k0f h GLU 43 N 0.30 0.26 -0.64 0.00 5.08 -1.96 -2.62 114.58 114.99 2k0f h GLU 43 Ca 0.47 -0.44 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 43 Cb 0.85 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.21 2k0f h GLU 43 CO -0.54 1.18 0.35 -0.07 -1.00 0.00 0.00 179.01 178.93 2k0f h LEU 44 N 0.07 0.50 -0.24 1.33 3.38 -1.22 -0.87 115.31 118.26 2k0f h LEU 44 Ca -0.15 0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2k0f h LEU 44 Cb 1.98 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.63 2k0f h LEU 44 CO 0.19 0.33 0.05 -0.61 0.09 0.00 0.00 178.44 178.49 2k0f h GLN 45 N 0.64 0.14 -0.85 1.13 4.15 -1.26 -2.85 115.11 116.22 2k0f h GLN 45 Ca 0.29 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.74 2k0f h GLN 45 Cb 0.19 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.80 2k0f h GLN 45 CO -0.19 0.09 0.56 -0.44 -1.93 0.00 0.00 178.83 176.93 2k0f h ASP 46 N 0.15 0.90 -0.36 -0.69 3.32 -1.17 0.19 116.42 118.76 2k0f h ASP 46 Ca 0.11 -0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.23 2k0f h ASP 46 Cb 0.10 -0.21 -0.09 0.00 0.22 0.00 0.00 39.33 39.36 2k0f h ASP 46 CO -0.14 0.61 -0.30 -0.03 -1.72 0.00 0.00 179.24 177.66 2k0f h MET 47 N 1.04 -0.24 0.33 3.56 4.05 -0.95 -3.11 114.93 119.61 2k0f h MET 47 Ca 0.34 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.76 2k0f h MET 47 Cb 0.05 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.91 2k0f h MET 47 CO -0.10 -0.16 -0.16 0.82 0.23 0.00 0.00 176.91 177.53 2k0f h ILE 48 N -0.25 0.69 -0.27 1.77 2.04 -1.19 -3.34 117.51 116.96 2k0f h ILE 48 Ca 0.16 -0.31 0.08 0.00 1.00 0.00 0.00 64.86 65.79 2k0f h ILE 48 Cb 0.52 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2k0f h ILE 48 CO -0.50 0.06 0.21 0.78 0.00 0.00 0.00 178.15 178.71 2k0f h ASN 49 N -0.62 0.00 0.00 1.72 2.35 -0.58 -1.18 115.58 117.27 2k0f h ASN 49 Ca -0.05 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 2k0f h ASN 49 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2k0f h ASN 49 CO 0.08 0.00 -0.10 -0.08 -1.65 0.00 0.00 177.43 175.67 2k0f h GLU 50 N 0.00 0.07 0.03 0.81 4.81 -1.67 -3.32 114.58 115.30 2k0f h GLU 50 Ca 0.13 -0.07 -0.23 0.00 -0.13 0.00 0.00 59.36 59.05 2k0f h GLU 50 Cb 0.55 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 2k0f h GLU 50 CO -0.00 0.86 -1.08 -0.39 -0.73 0.00 0.00 179.01 177.67 2k0f h VAL 51 N -0.70 1.64 -1.95 0.32 -1.51 -1.58 -3.46 116.25 109.01 2k0f h VAL 51 Ca -0.01 -3.32 -0.64 0.00 -1.23 0.00 0.00 66.70 61.50 2k0f h VAL 51 Cb 0.90 2.86 0.02 0.00 -2.13 0.00 0.00 31.29 32.95 2k0f h VAL 51 CO 0.02 0.95 0.99 -0.67 -1.23 0.00 0.00 177.57 177.62 2k0f n ASP 52 N -3.39 3.10 -0.05 4.19 2.03 -0.50 -4.90 116.55 117.03 2k0f n ASP 52 Ca -0.03 1.02 -0.21 0.00 0.52 0.00 0.00 54.79 56.09 2k0f n ASP 52 Cb 0.96 -1.32 -0.13 0.00 -0.72 0.00 0.00 41.12 39.91 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f n ALA 53 N 5.73 1.03 0.28 -1.67 0.00 -1.26 -4.66 120.51 119.95 2k0f n ALA 53 Ca 0.22 -0.73 -0.12 0.00 0.00 0.00 0.00 53.44 52.81 2k0f n ALA 53 Cb 0.25 -0.49 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N -0.10 -0.64 0.00 0.00 3.04 -1.95 -3.48 116.42 113.28 2k0f h ASP 54 Ca -0.47 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.33 2k0f h ASP 54 Cb 1.91 0.17 0.00 0.00 -1.04 0.00 0.00 39.33 40.37 2k0f h ASP 54 CO -0.01 -0.24 0.00 0.61 -2.04 0.00 0.00 179.24 177.56 2k0f n GLY 55 N -0.19 1.10 0.05 7.15 0.00 -1.26 -5.02 105.19 107.01 2k0f n GLY 55 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 0.58 0.00 1.61 6.94 -1.26 -4.95 115.26 118.18 2k0f n ASN 56 Ca 0.00 0.12 0.00 0.00 -0.02 0.00 0.00 54.58 54.68 2k0f n ASN 56 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 57 N 1.39 0.64 3.14 4.83 0.00 -1.26 -5.03 105.19 108.91 2k0f n GLY 57 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.30 0.90 -0.27 2.61 -4.23 -1.26 -4.84 115.64 106.24 2k0f s THR 58 Ca 0.00 -1.34 -0.29 0.00 -1.18 0.00 0.00 61.69 58.88 2k0f s THR 58 Cb 0.00 -1.02 0.01 0.00 1.34 0.00 0.00 72.50 72.83 2k0f s THR 58 CO 0.00 -0.37 1.04 -0.63 -0.54 0.00 0.00 174.62 174.12 2k0f s ILE 59 N -1.65 4.62 0.87 2.99 1.01 -0.68 -4.88 121.20 123.48 2k0f s ILE 59 Ca -0.02 1.85 -0.11 0.00 0.00 0.00 0.00 60.65 62.37 2k0f s ILE 59 Cb -0.08 -4.34 0.16 0.00 0.01 0.00 0.00 42.46 38.21 2k0f s ILE 59 CO 0.01 -0.31 1.20 -1.81 0.00 0.00 0.00 174.94 174.04 2k0f s ASP 60 N 1.42 3.68 0.01 3.58 1.11 -1.26 -0.91 116.67 124.30 2k0f s ASP 60 Ca 0.44 0.18 -0.23 0.00 0.18 0.00 0.00 52.55 53.11 2k0f s ASP 60 Cb -0.14 -0.39 -0.17 0.00 1.07 0.00 0.00 42.92 43.29 2k0f s ASP 60 CO 0.10 -2.35 1.33 0.15 1.18 0.00 0.00 175.17 175.58 2k0f h PHE 61 N -1.23 0.17 0.00 4.23 3.57 -1.96 -2.44 116.94 119.28 2k0f h PHE 61 Ca -0.43 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.03 2k0f h PHE 61 Cb 1.26 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.96 2k0f h PHE 61 CO -0.67 0.56 0.00 -0.35 -2.23 0.00 0.00 178.31 175.62 2k0f n PRO 62 N -4.75 0.23 0.09 6.41 -0.04 -1.26 -1.63 135.00 134.05 2k0f n PRO 62 Ca -0.07 0.10 -0.22 0.00 -0.04 0.00 0.00 63.50 63.27 2k0f n PRO 62 Cb 0.28 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.10 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 0.55 -0.61 0.54 5.08 -1.88 -3.28 114.58 114.98 2k0f h GLU 63 Ca 0.00 -0.79 -0.10 0.00 -1.00 0.00 0.00 59.36 57.47 2k0f h GLU 63 Cb 0.23 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2k0f h GLU 63 CO 0.00 1.36 -0.00 0.35 -1.00 0.00 0.00 179.01 179.72 2k0f h PHE 64 N 0.13 1.18 0.00 4.33 3.04 -0.93 -3.00 116.94 121.69 2k0f h PHE 64 Ca -0.19 -0.21 -0.00 0.00 3.98 0.00 0.00 57.97 61.55 2k0f h PHE 64 Cb 1.89 -0.31 -0.00 0.00 2.56 0.00 0.00 35.95 40.10 2k0f h PHE 64 CO 0.13 1.04 -0.01 -0.07 -2.02 0.00 0.00 178.31 177.38 2k0f h LEU 65 N 0.99 0.00 -0.08 0.59 3.38 -1.42 -0.63 115.31 118.14 2k0f h LEU 65 Ca 0.17 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 2k0f h LEU 65 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2k0f h LEU 65 CO 0.03 0.01 -0.40 0.74 0.09 0.00 0.00 178.44 178.91 2k0f h THR 66 N 0.00 0.70 -0.28 0.22 2.02 -1.60 -1.27 112.91 112.71 2k0f h THR 66 Ca -0.00 -1.95 -0.15 0.00 0.77 0.00 0.00 66.41 65.08 2k0f h THR 66 Cb 0.31 2.31 -0.00 0.00 -1.74 0.00 0.00 68.15 69.03 2k0f h THR 66 CO 0.00 0.39 -0.41 0.24 0.37 0.00 0.00 175.52 176.12 2k0f h MET 67 N 0.00 0.76 -0.20 6.66 2.86 -0.99 -2.58 114.93 121.44 2k0f h MET 67 Ca -0.00 -0.45 -0.19 0.00 -2.06 0.00 0.00 59.70 57.00 2k0f h MET 67 Cb 1.28 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.98 2k0f h MET 67 CO 0.05 1.08 -0.63 0.52 1.06 0.00 0.00 176.91 178.99 2k0f h MET 68 N 0.51 0.71 -0.25 1.72 2.07 -1.34 -3.28 114.93 115.06 2k0f h MET 68 Ca 0.03 -0.49 -0.04 0.00 -2.07 0.00 0.00 59.70 57.12 2k0f h MET 68 Cb 1.00 0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 30.80 2k0f h MET 68 CO 0.09 1.11 -0.01 0.00 1.07 0.00 0.00 176.91 179.18 2k0f h ALA 69 N 0.77 0.34 -2.34 6.32 0.00 -1.30 -3.46 119.26 119.59 2k0f h ALA 69 Ca -0.01 -0.23 -0.55 0.00 0.00 0.00 0.00 54.91 54.13 2k0f h ALA 69 Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2k0f h ALA 69 CO 0.13 0.08 0.76 0.50 0.00 0.00 0.00 179.25 180.72 2k0f s ARG 70 N -4.95 4.32 -0.09 0.00 3.52 -0.97 -5.01 118.95 115.76 2k0f s ARG 70 Ca -0.14 1.80 0.04 0.00 -0.13 0.00 0.00 55.73 57.31 2k0f s ARG 70 Cb 0.07 -3.56 -0.01 0.00 -1.56 0.00 0.00 34.95 29.90 2k0f s ARG 70 CO 0.75 -0.50 -0.22 0.15 -0.81 0.00 0.00 175.30 174.67 2k0f s LYS 71 N 2.28 2.95 0.30 5.12 -0.14 -1.26 -4.97 119.74 124.01 2k0f s LYS 71 Ca 0.59 -0.84 -0.11 0.00 -1.36 0.00 0.00 55.97 54.25 2k0f s LYS 71 Cb -0.28 -2.33 -0.08 0.00 -1.68 0.00 0.00 37.83 33.47 2k0f s LYS 71 CO 0.24 0.27 0.66 -1.64 -0.76 0.00 0.00 175.35 174.12 2k0f s MET 72 N 0.14 3.86 -0.04 1.68 -1.94 -1.26 -5.07 119.30 116.67 2k0f s MET 72 Ca -0.11 0.43 -0.05 0.00 -1.71 0.00 0.00 55.69 54.25 2k0f s MET 72 Cb -0.16 -2.52 -0.03 0.00 2.01 0.00 0.00 34.83 34.14 2k0f s MET 72 CO 0.06 0.18 -0.11 1.17 -0.01 0.00 0.00 175.02 176.31 2k0f n LYS 73 N -0.53 0.18 0.00 2.03 4.81 -1.26 -4.30 118.16 119.09 2k0f n LYS 73 Ca 0.02 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2k0f n LYS 73 Cb 0.53 -0.80 0.00 0.00 0.02 0.00 0.00 35.03 34.78 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k0f n ASP 74 N -3.61 0.00 0.03 3.14 8.00 -1.26 -4.35 116.55 118.49 2k0f n ASP 74 Ca -0.11 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.39 2k0f n ASP 74 Cb 0.38 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.76 2k0f n ASP 74 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2k0f h THR 75 N 0.00 1.22 -0.02 -3.53 2.02 -2.02 -2.82 112.91 107.76 2k0f h THR 75 Ca 0.00 -0.98 0.01 0.00 0.77 0.00 0.00 66.41 66.21 2k0f h THR 75 Cb 0.00 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2k0f h THR 75 CO 0.00 0.32 0.24 0.44 0.37 0.00 0.00 175.52 176.88 2k0f h ASP 76 N 0.41 0.00 0.99 4.18 3.32 -1.93 0.03 116.42 123.43 2k0f h ASP 76 Ca 0.08 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.97 2k0f h ASP 76 Cb 0.47 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2k0f h ASP 76 CO 0.03 0.00 -0.75 -1.28 -1.72 0.00 0.00 179.24 175.52 2k0f h SER 77 N 0.00 0.00 0.09 6.45 0.87 -1.68 -3.28 113.55 115.99 2k0f h SER 77 Ca 0.01 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.21 2k0f h SER 77 Cb 0.48 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.38 2k0f h SER 77 CO -0.00 0.75 -2.27 -0.62 -0.53 0.00 0.00 176.83 174.16 2k0f n GLU 78 N -3.45 0.68 -0.06 2.24 1.02 -0.16 -4.38 120.64 116.52 2k0f n GLU 78 Ca 0.00 0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 57.06 2k0f n GLU 78 Cb 0.78 -1.57 -0.07 0.00 -0.02 0.00 0.00 31.44 30.57 2k0f n GLU 78 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2k0f h GLU 79 N 0.00 0.35 -0.71 3.49 4.57 -1.26 -2.66 114.58 118.36 2k0f h GLU 79 Ca -0.50 -0.17 0.12 0.00 -1.18 0.00 0.00 59.36 57.63 2k0f h GLU 79 Cb 2.20 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 30.74 2k0f h GLU 79 CO 0.04 0.69 0.47 1.49 -1.18 0.00 0.00 179.01 180.53 2k0f h GLU 80 N 0.01 0.45 0.13 1.92 4.81 -1.79 0.29 114.58 120.40 2k0f h GLU 80 Ca 0.03 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2k0f h GLU 80 Cb 0.60 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2k0f h GLU 80 CO 0.03 0.30 -0.06 0.82 -0.73 0.00 0.00 179.01 179.37 2k0f h ILE 81 N 0.46 1.03 0.00 2.32 2.04 -1.72 0.33 117.51 121.98 2k0f h ILE 81 Ca 0.34 -1.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 2k0f h ILE 81 Cb 0.69 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 2k0f h ILE 81 CO -0.11 0.24 -0.18 0.08 0.00 0.00 0.00 178.15 178.19 2k0f h ARG 82 N -0.74 0.00 0.08 2.37 0.11 -1.10 0.32 114.38 115.43 2k0f h ARG 82 Ca -0.02 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.06 2k0f h ARG 82 Cb 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 2k0f h ARG 82 CO 0.03 0.18 -0.04 0.93 0.10 0.00 0.00 179.97 181.17 2k0f h GLU 83 N 0.00 -0.11 0.00 0.08 4.39 -0.46 -2.73 114.58 115.75 2k0f h GLU 83 Ca -0.00 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k0f h GLU 83 Cb 0.33 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2k0f h GLU 83 CO 0.02 0.43 -0.01 0.00 -1.16 0.00 0.00 179.01 178.29 2k0f h ALA 84 N 0.00 1.11 0.59 3.43 0.00 -0.07 -0.87 119.26 123.45 2k0f h ALA 84 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2k0f h ALA 84 Cb 0.59 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2k0f h ALA 84 CO 0.02 0.02 -0.28 0.35 0.00 0.00 0.00 179.25 179.35 2k0f h PHE 85 N 0.00 -0.73 -0.88 0.00 3.57 -0.42 -1.51 116.94 116.97 2k0f h PHE 85 Ca -0.00 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.56 2k0f h PHE 85 Cb 0.11 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 2k0f h PHE 85 CO 0.00 -0.42 0.57 -0.09 -2.23 0.00 0.00 178.31 176.14 2k0f h ARG 86 N -0.88 0.91 -0.75 1.11 2.43 -1.10 -0.69 114.38 115.41 2k0f h ARG 86 Ca -0.08 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2k0f h ARG 86 Cb 0.64 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 2k0f h ARG 86 CO 0.13 0.60 0.48 0.28 -1.51 0.00 0.00 179.97 179.96 2k0f h VAL 87 N 0.93 1.20 -0.10 0.20 2.07 -1.20 -3.30 116.25 116.05 2k0f h VAL 87 Ca 0.40 -0.39 -0.18 0.00 0.82 0.00 0.00 66.70 67.35 2k0f h VAL 87 Cb 0.31 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2k0f h VAL 87 CO -0.16 0.20 -0.68 0.15 0.02 0.00 0.00 177.57 177.10 2k0f h PHE 88 N 1.02 0.56 -2.01 1.57 3.04 -0.07 -3.41 116.94 117.63 2k0f h PHE 88 Ca 0.27 -0.23 -0.62 0.00 3.98 0.00 0.00 57.97 61.37 2k0f h PHE 88 Cb -0.09 -0.09 0.02 0.00 2.56 0.00 0.00 35.95 38.35 2k0f h PHE 88 CO -0.02 0.97 1.03 -3.47 -2.02 0.00 0.00 178.31 174.81 2k0f n ASP 89 N -3.87 3.28 -0.02 0.41 -0.08 -0.58 -4.91 116.55 110.78 2k0f n ASP 89 Ca -0.04 1.00 -0.16 0.00 -1.51 0.00 0.00 54.79 54.08 2k0f n ASP 89 Cb 0.68 -1.36 -0.10 0.00 2.34 0.00 0.00 41.12 42.68 2k0f n ASP 89 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2k0f h LYS 90 N 8.52 0.32 0.00 -0.67 3.64 -1.89 -3.41 116.57 123.09 2k0f h LYS 90 Ca -0.48 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 58.59 2k0f h LYS 90 Cb 1.27 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2k0f h LYS 90 CO 0.94 0.96 -0.14 0.38 -2.27 0.00 0.00 179.45 179.33 2k0f h ASP 91 N -0.21 0.00 0.00 4.20 3.04 -1.95 -3.49 116.42 118.01 2k0f h ASP 91 Ca -0.04 -0.23 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 2k0f h ASP 91 Cb 1.06 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.35 2k0f h ASP 91 CO 0.08 0.69 0.00 0.61 -2.04 0.00 0.00 179.24 178.58 2k0f n GLY 92 N 1.70 0.38 0.13 7.15 0.00 -1.26 -5.09 105.19 108.20 2k0f n GLY 92 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 1.96 0.00 1.61 6.94 -1.26 -5.04 115.26 119.47 2k0f n ASN 93 Ca 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 54.58 54.81 2k0f n ASN 93 Cb 0.00 -0.78 0.00 0.00 -2.36 0.00 0.00 39.78 36.64 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 1.57 1.34 3.07 4.83 0.00 -1.26 -5.11 105.19 109.63 2k0f n GLY 94 Ca -0.45 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.51 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 -1.03 -0.23 1.61 1.51 -1.26 -3.96 117.35 112.00 2k0f s TYR 95 Ca 0.00 1.25 -0.29 0.00 -1.01 0.00 0.00 57.07 57.01 2k0f s TYR 95 Cb 0.00 0.24 -0.01 0.00 -0.11 0.00 0.00 41.96 42.08 2k0f s TYR 95 CO 0.00 -0.71 1.34 0.42 -1.11 0.00 0.00 175.55 175.49 2k0f s ILE 96 N 2.65 4.12 0.39 2.71 1.01 -0.72 -4.83 121.20 126.52 2k0f s ILE 96 Ca 0.11 1.30 0.08 0.00 0.00 0.00 0.00 60.65 62.14 2k0f s ILE 96 Cb -0.15 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 2k0f s ILE 96 CO -0.17 -0.30 0.35 -0.94 0.00 0.00 0.00 174.94 173.89 2k0f s SER 97 N 2.68 5.13 0.00 3.58 1.04 -1.26 -1.94 113.70 122.93 2k0f s SER 97 Ca 0.58 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2k0f s SER 97 Cb -0.20 -0.70 0.00 0.00 0.10 0.00 0.00 66.02 65.22 2k0f s SER 97 CO 0.21 -0.56 0.42 0.00 0.98 0.00 0.00 173.24 174.28 2k0f n ALA 98 N -1.50 0.00 0.44 5.32 0.00 -1.26 -0.85 120.51 122.66 2k0f n ALA 98 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.59 2k0f n ALA 98 Cb 0.61 0.17 0.44 0.00 0.00 0.00 0.00 19.45 20.67 2k0f n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k0f h ALA 99 N -2.14 1.00 -0.09 0.00 0.00 -1.98 -2.14 119.26 113.91 2k0f h ALA 99 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2k0f h ALA 99 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2k0f h ALA 99 CO 0.00 0.00 -0.25 1.49 0.00 0.00 0.00 179.25 180.49 2k0f h GLU 100 N 0.00 -0.24 -0.75 0.00 4.81 -1.98 -1.06 114.58 115.36 2k0f h GLU 100 Ca 0.00 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.38 2k0f h GLU 100 Cb 0.63 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.98 2k0f h GLU 100 CO 0.00 -0.16 0.31 1.25 -0.73 0.00 0.00 179.01 179.68 2k0f h LEU 101 N -0.25 0.32 -0.37 1.64 5.85 -0.62 -2.23 115.31 119.64 2k0f h LEU 101 Ca 0.02 0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 2k0f h LEU 101 Cb 0.31 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2k0f h LEU 101 CO -0.22 0.13 -0.29 0.03 -0.34 0.00 0.00 178.44 177.75 2k0f h ARG 102 N 0.47 0.85 0.15 1.25 3.08 -1.35 -1.64 114.38 117.20 2k0f h ARG 102 Ca 0.40 -0.42 0.01 0.00 0.07 0.00 0.00 59.98 60.04 2k0f h ARG 102 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 2k0f h ARG 102 CO -0.38 1.06 -0.18 1.25 -1.07 0.00 0.00 179.97 180.66 2k0f h HIS 103 N 0.65 -0.46 -0.95 3.04 2.76 -0.99 0.37 115.15 119.58 2k0f h HIS 103 Ca 0.07 0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.41 2k0f h HIS 103 Cb 0.87 0.18 -0.17 0.00 1.55 0.00 0.00 27.41 29.84 2k0f h HIS 103 CO 0.06 -0.26 -0.31 0.28 -1.30 0.00 0.00 177.93 176.40 2k0f h VAL 104 N -0.37 0.03 -0.00 5.26 2.07 -1.31 -0.68 116.25 121.26 2k0f h VAL 104 Ca 0.01 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.35 2k0f h VAL 104 Cb 0.36 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 2k0f h VAL 104 CO -0.06 0.00 -0.80 0.24 0.02 0.00 0.00 177.57 176.97 2k0f h MET 105 N -0.01 0.10 -0.72 1.57 2.07 -1.15 -2.03 114.93 114.76 2k0f h MET 105 Ca 0.40 -0.10 0.02 0.00 -2.07 0.00 0.00 59.70 57.95 2k0f h MET 105 Cb 0.65 0.03 -0.04 0.00 -1.87 0.00 0.00 31.60 30.36 2k0f h MET 105 CO -0.97 0.85 0.47 1.15 1.07 0.00 0.00 176.91 179.47 2k0f h THR 106 N 0.06 1.14 -0.28 2.22 2.02 -0.44 0.27 112.91 117.90 2k0f h THR 106 Ca -0.02 -0.32 -0.13 0.00 0.77 0.00 0.00 66.41 66.71 2k0f h THR 106 Cb 1.41 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2k0f h THR 106 CO 0.11 0.17 -0.36 0.78 0.37 0.00 0.00 175.52 176.59 2k0f h ASN 107 N 0.93 0.65 -0.05 4.18 -0.26 -0.61 -3.29 115.58 117.13 2k0f h ASN 107 Ca 0.28 -0.27 -0.12 0.00 -0.56 0.00 0.00 56.30 55.62 2k0f h ASN 107 Cb -0.04 -0.18 0.01 0.00 -1.06 0.00 0.00 38.32 37.05 2k0f h ASN 107 CO -0.09 0.95 -0.45 -0.07 -1.06 0.00 0.00 177.43 176.71 2k0f h LEU 108 N 0.52 0.48 0.00 1.61 3.38 -1.26 -3.49 115.31 116.56 2k0f h LEU 108 Ca 0.05 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.32 2k0f h LEU 108 Cb 0.86 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2k0f h LEU 108 CO 0.07 1.11 0.00 0.61 0.09 0.00 0.00 178.44 180.32 2k0f n GLY 109 N 0.86 0.00 3.84 0.83 0.00 0.52 -5.09 105.19 106.16 2k0f n GLY 109 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 3.97 -0.69 1.61 0.41 0.64 -4.99 118.70 119.65 2k0f s GLU 110 Ca 0.00 0.47 -0.23 0.00 -0.41 0.00 0.00 54.97 54.80 2k0f s GLU 110 Cb 0.00 -3.10 0.07 0.00 -1.78 0.00 0.00 34.13 29.32 2k0f s GLU 110 CO 0.00 0.59 1.02 0.21 -0.49 0.00 0.00 175.26 176.59 2k0f s LYS 111 N -1.50 3.15 -0.38 1.61 2.20 -1.26 -4.39 119.74 119.17 2k0f s LYS 111 Ca 0.31 -0.82 -0.15 0.00 -0.36 0.00 0.00 55.97 54.95 2k0f s LYS 111 Cb -0.16 -4.28 0.00 0.00 -1.51 0.00 0.00 37.83 31.88 2k0f s LYS 111 CO 0.17 -1.86 0.34 -0.51 -0.36 0.00 0.00 175.35 173.12 2k0f s LEU 112 N 4.21 4.72 0.49 5.43 1.43 -1.26 -5.02 118.68 128.68 2k0f s LEU 112 Ca 0.25 -0.54 -0.07 0.00 -1.03 0.00 0.00 54.13 52.74 2k0f s LEU 112 Cb -0.15 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 2k0f s LEU 112 CO 0.09 -0.40 0.82 0.42 0.23 0.00 0.00 176.35 177.52 2k0f s THR 113 N 1.89 4.86 -0.41 5.49 -4.23 -1.26 -4.97 115.64 117.01 2k0f s THR 113 Ca 0.09 0.36 0.22 0.00 -1.18 0.00 0.00 61.69 61.18 2k0f s THR 113 Cb -0.17 -3.85 0.23 0.00 1.34 0.00 0.00 72.50 70.05 2k0f s THR 113 CO 0.11 -0.86 1.68 0.47 -0.54 0.00 0.00 174.62 175.49 2k0f n ASP 114 N -2.22 0.62 0.07 3.99 9.92 -1.26 -1.77 116.55 125.89 2k0f n ASP 114 Ca 0.02 0.69 -0.14 0.00 -0.53 0.00 0.00 54.79 54.83 2k0f n ASP 114 Cb 0.55 -0.81 -0.06 0.00 -0.64 0.00 0.00 41.12 40.16 2k0f n ASP 114 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2k0f h GLU 115 N 0.00 0.40 0.00 -1.24 5.08 -1.99 -1.47 114.58 115.36 2k0f h GLU 115 Ca 0.00 -0.46 -0.10 0.00 -1.00 0.00 0.00 59.36 57.80 2k0f h GLU 115 Cb 0.25 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2k0f h GLU 115 CO 0.00 1.13 -0.47 0.93 -1.00 0.00 0.00 179.01 179.59 2k0f h GLU 116 N 0.22 0.00 0.13 2.33 5.08 -1.76 -2.79 114.58 117.79 2k0f h GLU 116 Ca -0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2k0f h GLU 116 Cb 1.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 2k0f h GLU 116 CO 0.17 0.47 -0.06 0.28 -1.00 0.00 0.00 179.01 178.87 2k0f h VAL 117 N 0.00 1.02 -0.61 3.13 2.07 -1.29 -1.51 116.25 119.06 2k0f h VAL 117 Ca -0.00 -0.67 0.12 0.00 0.82 0.00 0.00 66.70 66.96 2k0f h VAL 117 Cb 1.28 1.44 -0.09 0.00 -1.52 0.00 0.00 31.29 32.40 2k0f h VAL 117 CO 0.06 0.16 0.10 -0.78 0.02 0.00 0.00 177.57 177.14 2k0f h ASP 118 N -0.49 -0.05 -0.69 0.57 3.58 -1.35 0.58 116.42 118.56 2k0f h ASP 118 Ca -0.02 0.12 0.10 0.00 0.42 0.00 0.00 57.03 57.65 2k0f h ASP 118 Cb 0.39 0.18 -0.07 0.00 1.72 0.00 0.00 39.33 41.55 2k0f h ASP 118 CO 0.03 -0.02 0.31 -0.08 -2.88 0.00 0.00 179.24 176.60 2k0f h GLU 119 N 0.23 0.50 -0.09 0.28 4.81 -1.45 -1.71 114.58 117.16 2k0f h GLU 119 Ca 0.32 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.40 2k0f h GLU 119 Cb 0.49 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.76 2k0f h GLU 119 CO -0.43 0.33 -0.42 1.98 -0.73 0.00 0.00 179.01 179.74 2k0f h MET 120 N 0.52 0.43 0.01 1.92 4.05 -1.00 -3.19 114.93 117.67 2k0f h MET 120 Ca 0.35 -0.35 -0.27 0.00 -0.28 0.00 0.00 59.70 59.15 2k0f h MET 120 Cb 0.41 0.07 0.02 0.00 -0.80 0.00 0.00 31.60 31.30 2k0f h MET 120 CO -0.30 0.99 -1.05 0.97 0.23 0.00 0.00 176.91 177.75 2k0f h ILE 121 N -0.01 1.29 0.00 1.77 6.09 -0.70 -3.11 117.51 122.84 2k0f h ILE 121 Ca -0.03 -2.29 0.00 0.00 -1.37 0.00 0.00 64.86 61.18 2k0f h ILE 121 Cb 1.07 2.41 0.00 0.00 0.47 0.00 0.00 36.82 40.77 2k0f h ILE 121 CO 0.09 0.70 0.00 0.08 -3.07 0.00 0.00 178.15 175.95 2k0f h ARG 122 N 0.37 0.00 0.11 2.19 0.11 -1.48 -0.52 114.38 115.17 2k0f h ARG 122 Ca -0.13 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.63 2k0f h ARG 122 Cb 1.71 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.77 2k0f h ARG 122 CO 0.20 0.00 -1.66 1.49 0.10 0.00 0.00 179.97 180.10 2k0f h GLU 123 N 0.00 0.24 0.01 0.08 4.81 -1.53 -3.38 114.58 114.81 2k0f h GLU 123 Ca 0.00 -0.41 -0.06 0.00 -0.13 0.00 0.00 59.36 58.76 2k0f h GLU 123 Cb 0.19 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 2k0f h GLU 123 CO 0.00 1.08 -0.29 0.00 -0.73 0.00 0.00 179.01 179.07 2k0f h ALA 124 N 0.43 0.04 -2.26 2.92 0.00 -1.28 -3.46 119.26 115.65 2k0f h ALA 124 Ca -0.29 -0.64 -0.55 0.00 0.00 0.00 0.00 54.91 53.43 2k0f h ALA 124 Cb 2.03 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.96 2k0f h ALA 124 CO 0.14 0.16 1.18 0.34 0.00 0.00 0.00 179.25 181.07 2k0f s ASP 125 N -6.39 6.47 -0.04 0.00 2.15 -0.28 -4.83 116.67 113.75 2k0f s ASP 125 Ca -0.20 2.32 -0.13 0.00 0.43 0.00 0.00 52.55 54.96 2k0f s ASP 125 Cb -0.01 -2.53 -0.32 0.00 -0.30 0.00 0.00 42.92 39.76 2k0f s ASP 125 CO 0.69 -1.08 0.73 0.40 -0.17 0.00 0.00 175.17 175.74 2k0f h ILE 126 N 5.77 1.04 0.00 4.11 2.04 -1.89 -3.45 117.51 125.13 2k0f h ILE 126 Ca -0.43 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 62.89 2k0f h ILE 126 Cb 1.20 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 40.12 2k0f h ILE 126 CO 0.95 0.83 0.00 -0.90 0.00 0.00 0.00 178.15 179.03 2k0f n ASP 127 N -3.68 0.00 0.00 1.72 5.68 -1.26 -5.03 116.55 113.98 2k0f n ASP 127 Ca -0.23 0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.25 2k0f n ASP 127 Cb 1.05 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.76 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 2.13 0.00 0.11 6.12 0.00 -1.26 -5.04 105.19 107.25 2k0f n GLY 128 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 2.03 -1.95 -3.48 116.42 114.63 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 129 CO 0.00 0.48 0.00 0.61 -1.03 0.00 0.00 179.24 179.30 2k0f n GLY 130 N 1.31 0.60 3.43 7.15 0.00 -1.26 -5.08 105.19 111.33 2k0f n GLY 130 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.99 2.33 -0.60 1.61 1.11 -1.26 -4.65 119.66 117.21 2k0f s GLN 131 Ca 0.00 -0.80 -0.20 0.00 0.01 0.00 0.00 55.36 54.37 2k0f s GLN 131 Cb 0.00 -2.26 0.09 0.00 -1.01 0.00 0.00 33.01 29.84 2k0f s GLN 131 CO 0.00 0.60 0.76 0.08 0.01 0.00 0.00 175.29 176.73 2k0f s VAL 132 N -0.72 4.71 0.73 1.09 1.01 -0.82 -4.86 120.40 121.55 2k0f s VAL 132 Ca 0.11 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 2k0f s VAL 132 Cb -0.10 -4.52 0.17 0.00 0.00 0.00 0.00 36.38 31.93 2k0f s VAL 132 CO 0.01 -1.18 0.90 -0.46 0.00 0.00 0.00 175.10 174.37 2k0f n ASN 133 N 6.63 -0.33 -0.10 3.32 0.23 -1.26 -1.76 115.26 121.99 2k0f n ASN 133 Ca -0.08 -1.26 -0.03 0.00 -0.53 0.00 0.00 54.58 52.68 2k0f n ASN 133 Cb 0.43 -0.72 -0.02 0.00 -2.08 0.00 0.00 39.78 37.39 2k0f n ASN 133 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k0f n TYR 134 N -3.49 -0.10 0.09 -2.53 4.19 -1.25 -2.09 117.16 111.97 2k0f n TYR 134 Ca 0.12 0.30 -0.04 0.00 3.31 0.00 0.00 57.90 61.59 2k0f n TYR 134 Cb 0.41 -0.48 -0.01 0.00 0.49 0.00 0.00 39.34 39.74 2k0f n TYR 134 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 2k0f h GLU 135 N 0.00 0.00 -0.89 2.98 5.08 -1.96 -2.07 114.58 117.72 2k0f h GLU 135 Ca 0.04 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 2k0f h GLU 135 Cb 0.10 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 2k0f h GLU 135 CO -0.22 0.81 0.55 0.93 -1.00 0.00 0.00 179.01 180.08 2k0f h GLU 136 N 0.00 0.94 0.00 2.33 5.08 -1.87 -1.99 114.58 119.07 2k0f h GLU 136 Ca -0.01 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 2k0f h GLU 136 Cb 1.53 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2k0f h GLU 136 CO 0.11 0.62 -0.48 0.35 -1.00 0.00 0.00 179.01 178.60 2k0f h PHE 137 N 0.97 0.00 -0.21 4.33 3.57 -1.24 -0.74 116.94 123.62 2k0f h PHE 137 Ca 0.40 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.72 2k0f h PHE 137 Cb 0.25 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2k0f h PHE 137 CO -0.03 0.48 -0.61 0.28 -2.23 0.00 0.00 178.31 176.20 2k0f h VAL 138 N 0.00 1.30 -0.31 1.41 2.07 -0.89 -3.01 116.25 116.82 2k0f h VAL 138 Ca -0.00 -1.84 -0.13 0.00 0.82 0.00 0.00 66.70 65.54 2k0f h VAL 138 Cb 1.10 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2k0f h VAL 138 CO 0.06 0.58 -0.36 -0.61 0.02 0.00 0.00 177.57 177.27 2k0f h GLN 139 N 0.53 0.70 -0.84 1.57 5.75 -1.07 -1.62 115.11 120.13 2k0f h GLN 139 Ca -0.01 -0.34 0.09 0.00 -0.15 0.00 0.00 58.65 58.24 2k0f h GLN 139 Cb 1.20 -0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.68 2k0f h GLN 139 CO 0.12 0.95 0.50 1.98 -2.65 0.00 0.00 178.83 179.73 2k0f h MET 140 N 0.58 0.83 0.32 1.69 4.05 -1.20 -3.34 114.93 117.86 2k0f h MET 140 Ca 0.06 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 2k0f h MET 140 Cb 0.88 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 2k0f h MET 140 CO 0.08 0.55 -0.16 0.52 0.23 0.00 0.00 176.91 178.13 2k0f h MET 141 N 0.85 -0.42 0.00 0.39 2.86 -1.18 -3.51 114.93 113.93 2k0f h MET 141 Ca 0.40 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 2k0f h MET 141 Cb 0.32 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2k0f h MET 141 CO -0.23 -0.28 0.00 0.25 1.06 0.00 0.00 176.91 177.71