#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 0.10 0.00 1.09 4.57 -2.06 -2.53 114.58 115.75 2k0f h GLU 2 Ca 0.00 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 2k0f h GLU 2 Cb 0.00 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2k0f h GLU 2 CO 0.00 0.42 -0.22 1.05 -1.18 0.00 0.00 179.01 179.07 2k0f h GLU 3 N -0.22 0.00 -0.09 1.92 4.11 -2.05 -2.46 114.58 115.78 2k0f h GLU 3 Ca 0.01 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.29 2k0f h GLU 3 Cb 0.37 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.63 2k0f h GLU 3 CO 0.00 0.22 -0.54 1.96 0.07 0.00 0.00 179.01 180.73 2k0f h GLN 4 N 0.00 0.53 -0.31 1.06 4.20 -1.97 -2.85 115.11 115.77 2k0f h GLN 4 Ca -0.00 -0.44 -0.04 0.00 0.06 0.00 0.00 58.65 58.22 2k0f h GLN 4 Cb 0.57 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 2k0f h GLN 4 CO 0.03 1.07 0.02 0.82 -0.67 0.00 0.00 178.83 180.10 2k0f h ILE 5 N 0.13 1.17 0.00 2.54 1.08 -1.01 -2.50 117.51 118.92 2k0f h ILE 5 Ca -0.04 -0.67 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 2k0f h ILE 5 Cb 1.19 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 2k0f h ILE 5 CO 0.11 0.23 -0.55 0.00 -0.69 0.00 0.00 178.15 177.25 2k0f h ALA 6 N 1.58 0.68 0.00 1.87 0.00 -1.47 -2.46 119.26 119.47 2k0f h ALA 6 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 2k0f h ALA 6 Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2k0f h ALA 6 CO 0.01 0.00 -1.21 1.49 0.00 0.00 0.00 179.25 179.54 2k0f h GLU 7 N 0.00 0.00 -0.03 0.00 4.57 -1.21 -2.88 114.58 115.03 2k0f h GLU 7 Ca 0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.03 2k0f h GLU 7 Cb 0.87 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.44 2k0f h GLU 7 CO 0.00 0.35 -0.67 0.74 -1.18 0.00 0.00 179.01 178.25 2k0f h PHE 8 N 0.00 0.16 0.00 0.92 0.04 -1.13 -3.21 116.94 113.72 2k0f h PHE 8 Ca -0.12 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.56 2k0f h PHE 8 Cb 1.54 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 39.66 2k0f h PHE 8 CO 0.00 0.75 -0.09 -0.22 -0.60 0.00 0.00 178.31 178.15 2k0f h LYS 9 N 0.08 0.00 0.00 1.51 1.63 -1.23 -2.67 116.57 115.90 2k0f h LYS 9 Ca -0.01 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.64 2k0f h LYS 9 Cb 1.19 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.80 2k0f h LYS 9 CO 0.10 0.09 -0.70 1.49 -3.45 0.00 0.00 179.45 176.98 2k0f h GLU 10 N 0.00 0.00 0.00 1.90 4.57 -1.54 -2.01 114.58 117.49 2k0f h GLU 10 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2k0f h GLU 10 Cb 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2k0f h GLU 10 CO 0.01 0.70 -0.41 0.00 -1.18 0.00 0.00 179.01 178.12 2k0f n ALA 11 N -2.40 2.73 0.30 2.92 0.00 -1.13 -2.35 120.51 120.57 2k0f n ALA 11 Ca -0.01 -0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.13 2k0f n ALA 11 Cb 0.68 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.81 2k0f n ALA 11 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2k0f h PHE 12 N 0.00 -0.74 -0.48 0.00 3.57 -1.04 -3.29 116.94 114.96 2k0f h PHE 12 Ca 0.00 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.62 2k0f h PHE 12 Cb 0.73 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 2k0f h PHE 12 CO 0.00 -0.46 0.52 0.77 -2.23 0.00 0.00 178.31 176.91 2k0f h SER 13 N -1.17 0.00 0.35 0.41 0.02 -1.49 -2.45 113.55 109.22 2k0f h SER 13 Ca -0.08 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.78 2k0f h SER 13 Cb 0.62 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2k0f h SER 13 CO 0.13 0.00 -0.40 0.25 -1.14 0.00 0.00 176.83 175.67 2k0f h LEU 14 N 0.00 0.08 -1.24 5.07 5.85 -1.53 -2.42 115.31 121.12 2k0f h LEU 14 Ca 0.23 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2k0f h LEU 14 Cb 1.27 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2k0f h LEU 14 CO -0.00 0.48 0.00 -0.26 -0.34 0.00 0.00 178.44 178.32 2k0f h PHE 15 N 0.07 0.00 -3.26 1.25 0.04 -1.55 -3.46 116.94 110.02 2k0f h PHE 15 Ca 0.00 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.18 2k0f h PHE 15 Cb 0.75 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.81 2k0f h PHE 15 CO 0.00 0.00 -0.29 0.34 -0.60 0.00 0.00 178.31 177.76 2k0f s ASP 16 N -5.34 6.50 0.12 2.17 -1.08 -0.91 -4.47 116.67 113.65 2k0f s ASP 16 Ca 0.02 0.59 0.25 0.00 -0.52 0.00 0.00 52.55 52.89 2k0f s ASP 16 Cb 0.09 -2.20 0.59 0.00 -1.46 0.00 0.00 42.92 39.94 2k0f s ASP 16 CO 0.51 0.10 1.53 2.29 0.52 0.00 0.00 175.17 180.12 2k0f n LYS 17 N 3.44 0.22 -0.05 4.34 2.85 -1.26 -4.30 118.16 123.39 2k0f n LYS 17 Ca -0.11 0.11 -0.09 0.00 -1.05 0.00 0.00 58.31 57.16 2k0f n LYS 17 Cb 0.52 -1.68 -0.03 0.00 -0.65 0.00 0.00 35.03 33.19 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2k0f n ASP 18 N -2.03 1.50 -0.18 -5.58 8.00 -1.26 -5.03 116.55 111.96 2k0f n ASP 18 Ca 0.05 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.79 2k0f n ASP 18 Cb 0.41 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 2.15 0.96 0.13 0.44 0.00 -1.26 -5.02 105.19 102.59 2k0f n GLY 19 Ca -0.16 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 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 1.11 2.05 0.00 1.61 5.75 -1.26 -5.02 116.55 120.79 2k0f n ASP 20 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 2k0f n ASP 20 Cb 0.32 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 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 2.13 1.46 3.54 6.12 0.00 -1.26 -5.09 105.19 112.09 2k0f n GLY 21 Ca -0.39 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 2k0f n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0f s THR 22 N -0.76 4.96 -0.62 2.61 2.01 -1.26 -4.87 115.64 117.71 2k0f s THR 22 Ca 0.00 0.26 -0.16 0.00 0.31 0.00 0.00 61.69 62.10 2k0f s THR 22 Cb 0.00 -4.04 0.15 0.00 0.01 0.00 0.00 72.50 68.62 2k0f s THR 22 CO 0.00 -0.34 0.60 -0.63 -0.69 0.00 0.00 174.62 173.56 2k0f s ILE 23 N 2.52 5.26 0.80 1.82 1.01 -1.26 -4.96 121.20 126.39 2k0f s ILE 23 Ca 0.20 -1.69 -0.12 0.00 0.00 0.00 0.00 60.65 59.04 2k0f s ILE 23 Cb -0.15 -4.40 0.08 0.00 0.01 0.00 0.00 42.46 38.00 2k0f s ILE 23 CO 0.15 -0.95 1.14 0.42 0.00 0.00 0.00 174.94 175.69 2k0f s THR 24 N 1.38 2.66 0.29 2.92 -4.23 -1.26 -3.49 115.64 113.92 2k0f s THR 24 Ca 0.08 0.25 0.13 0.00 -1.18 0.00 0.00 61.69 60.96 2k0f s THR 24 Cb -0.24 -2.58 0.04 0.00 1.34 0.00 0.00 72.50 71.05 2k0f s THR 24 CO 0.00 -0.25 1.70 0.71 -0.54 0.00 0.00 174.62 176.24 2k0f h THR 25 N -1.11 1.30 -0.05 3.99 1.35 -1.96 -3.11 112.91 113.31 2k0f h THR 25 Ca -0.44 -1.76 0.03 0.00 -0.55 0.00 0.00 66.41 63.68 2k0f h THR 25 Cb 1.26 1.96 -0.03 0.00 -1.73 0.00 0.00 68.15 69.61 2k0f h THR 25 CO 0.48 0.49 -0.12 0.50 -0.25 0.00 0.00 175.52 176.62 2k0f h LYS 26 N 0.00 -0.17 0.00 4.72 1.63 -1.97 0.14 116.57 120.92 2k0f h LYS 26 Ca -0.01 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 2k0f h LYS 26 Cb 0.92 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.58 2k0f h LYS 26 CO 0.07 -0.11 -0.35 1.05 -3.45 0.00 0.00 179.45 176.66 2k0f h GLU 27 N -0.17 0.00 0.00 1.90 4.11 -1.91 -1.53 114.58 116.97 2k0f h GLU 27 Ca 0.06 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.30 2k0f h GLU 27 Cb 0.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2k0f h GLU 27 CO -0.15 0.35 -0.88 1.25 0.07 0.00 0.00 179.01 179.64 2k0f h LEU 28 N 0.00 0.00 -0.41 3.06 5.85 -1.47 -2.95 115.31 119.40 2k0f h LEU 28 Ca -0.00 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 2k0f h LEU 28 Cb 1.18 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 2k0f h LEU 28 CO 0.05 0.88 -0.61 1.23 -0.34 0.00 0.00 178.44 179.65 2k0f h GLY 29 N 2.66 0.00 0.67 3.75 0.00 -0.20 -0.84 103.07 109.10 2k0f h GLY 29 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.40 2k0f h GLY 29 CO 0.11 0.00 0.59 -0.84 0.00 0.00 0.00 176.54 176.40 2k0f h THR 30 N 0.00 1.03 0.12 4.70 2.02 -1.28 0.28 112.91 119.77 2k0f h THR 30 Ca -0.01 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 2k0f h THR 30 Cb 1.29 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2k0f h THR 30 CO 0.08 0.19 -0.06 0.58 0.37 0.00 0.00 175.52 176.68 2k0f h VAL 31 N 1.03 1.06 -0.63 3.16 2.07 -1.23 -1.91 116.25 119.81 2k0f h VAL 31 Ca 0.42 -1.15 0.13 0.00 0.82 0.00 0.00 66.70 66.91 2k0f h VAL 31 Cb 0.24 1.73 -0.09 0.00 -1.52 0.00 0.00 31.29 31.65 2k0f h VAL 31 CO -0.20 0.26 0.10 0.24 0.02 0.00 0.00 177.57 177.99 2k0f h MET 32 N -0.74 0.21 -0.02 1.57 2.86 -1.16 0.54 114.93 118.20 2k0f h MET 32 Ca -0.02 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2k0f h MET 32 Cb 0.54 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 2k0f h MET 32 CO 0.03 0.14 -0.04 -0.09 1.06 0.00 0.00 176.91 178.01 2k0f h ARG 33 N 0.22 0.02 -0.14 1.72 1.12 -0.23 -1.52 114.38 115.58 2k0f h ARG 33 Ca 0.33 -0.00 -0.16 0.00 -1.11 0.00 0.00 59.98 59.04 2k0f h ARG 33 Cb 0.53 -0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.49 2k0f h ARG 33 CO -0.45 0.07 -0.55 0.77 -3.11 0.00 0.00 179.97 176.70 2k0f h SER 34 N 0.02 0.72 0.00 -3.80 0.02 -0.27 -3.37 113.55 106.87 2k0f h SER 34 Ca 0.01 -0.62 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 2k0f h SER 34 Cb 0.09 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2k0f h SER 34 CO 0.01 1.22 0.00 0.18 -1.14 0.00 0.00 176.83 177.09 2k0f n LEU 35 N -4.16 0.25 0.00 5.07 4.77 0.02 -4.93 117.00 118.02 2k0f n LEU 35 Ca -0.07 0.71 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 2k0f n LEU 35 Cb 0.62 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2k0f n LEU 35 CO 0.48 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 2k0f n GLY 36 N 0.17 -0.67 3.92 -0.72 0.00 -0.62 -5.05 105.19 102.23 2k0f n GLY 36 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.73 3.47 -0.49 1.61 -2.07 -1.23 -4.91 119.66 115.31 2k0f s GLN 37 Ca 0.00 -0.43 -0.16 0.00 -1.82 0.00 0.00 55.36 52.96 2k0f s GLN 37 Cb 0.00 -2.98 0.09 0.00 -1.09 0.00 0.00 33.01 29.03 2k0f s GLN 37 CO 0.00 0.55 0.43 1.21 -1.32 0.00 0.00 175.29 176.16 2k0f s ASN 38 N -2.73 6.16 0.79 12.60 2.47 -1.26 -2.71 114.94 130.26 2k0f s ASN 38 Ca 0.36 -1.45 -0.12 0.00 0.42 0.00 0.00 52.86 52.07 2k0f s ASN 38 Cb -0.12 -2.19 0.07 0.00 -1.45 0.00 0.00 41.25 37.55 2k0f s ASN 38 CO 0.28 -0.71 1.13 -2.16 -3.72 0.00 0.00 177.10 171.92 2k0f s PRO 39 N 1.65 2.11 0.54 0.43 0.04 -1.26 -5.01 135.00 133.49 2k0f s PRO 39 Ca 0.04 0.36 -0.17 0.00 0.04 0.00 0.00 61.00 61.27 2k0f s PRO 39 Cb -0.26 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 2k0f s PRO 39 CO 0.06 -1.54 1.02 0.95 0.04 0.00 0.00 177.00 177.53 2k0f s THR 40 N -3.37 4.12 0.27 1.26 -4.23 -1.26 -4.98 115.64 107.45 2k0f s THR 40 Ca 0.61 1.06 0.00 0.00 -1.18 0.00 0.00 61.69 62.18 2k0f s THR 40 Cb -0.12 -3.54 0.08 0.00 1.34 0.00 0.00 72.50 70.27 2k0f s THR 40 CO 0.52 -0.54 1.73 -0.33 -0.54 0.00 0.00 174.62 175.46 2k0f h GLU 41 N 0.84 0.63 -0.12 3.99 5.08 -1.97 -2.36 114.58 120.67 2k0f h GLU 41 Ca -0.47 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 57.53 2k0f h GLU 41 Cb 1.20 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2k0f h GLU 41 CO 0.59 0.75 -0.56 0.00 -1.00 0.00 0.00 179.01 178.80 2k0f h ALA 42 N 1.27 0.82 0.08 3.43 0.00 -1.98 -1.13 119.26 121.75 2k0f h ALA 42 Ca 0.10 -0.51 -0.26 0.00 0.00 0.00 0.00 54.91 54.23 2k0f h ALA 42 Cb 0.58 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2k0f h ALA 42 CO 0.04 0.70 -1.25 1.05 0.00 0.00 0.00 179.25 179.79 2k0f h GLU 43 N 0.27 0.17 -0.45 0.00 4.11 -1.96 -2.09 114.58 114.64 2k0f h GLU 43 Ca 0.00 -0.29 -0.02 0.00 0.07 0.00 0.00 59.36 59.12 2k0f h GLU 43 Cb 1.06 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2k0f h GLU 43 CO 0.09 1.10 0.19 1.25 0.07 0.00 0.00 179.01 181.71 2k0f h LEU 44 N 0.05 0.61 -0.94 3.06 5.85 -1.38 -1.89 115.31 120.67 2k0f h LEU 44 Ca -0.12 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 2k0f h LEU 44 Cb 1.92 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.76 2k0f h LEU 44 CO 0.17 0.60 0.20 -0.61 -0.34 0.00 0.00 178.44 178.46 2k0f h GLN 45 N 0.58 0.98 -0.96 1.25 4.15 -1.18 -2.26 115.11 117.67 2k0f h GLN 45 Ca 0.15 -0.19 0.20 0.00 0.77 0.00 0.00 58.65 59.58 2k0f h GLN 45 Cb 0.17 -0.15 -0.11 0.00 0.21 0.00 0.00 27.48 27.60 2k0f h GLN 45 CO -0.01 0.84 0.54 0.22 -1.93 0.00 0.00 178.83 178.49 2k0f h ASP 46 N 0.95 0.65 -0.10 -0.69 3.58 -1.09 0.33 116.42 120.04 2k0f h ASP 46 Ca 0.21 0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.77 2k0f h ASP 46 Cb 0.27 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.32 2k0f h ASP 46 CO -0.01 0.19 0.03 0.24 -2.88 0.00 0.00 179.24 176.82 2k0f h MET 47 N 0.65 0.15 -0.40 0.28 2.86 -0.86 -3.30 114.93 114.31 2k0f h MET 47 Ca 0.57 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 58.06 2k0f h MET 47 Cb 0.94 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 2k0f h MET 47 CO -0.42 0.28 -0.20 0.82 1.06 0.00 0.00 176.91 178.45 2k0f h ILE 48 N -0.01 1.28 -0.25 -1.22 1.08 -0.85 -3.19 117.51 114.34 2k0f h ILE 48 Ca 0.03 -1.35 0.07 0.00 -0.39 0.00 0.00 64.86 63.23 2k0f h ILE 48 Cb 0.19 1.28 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 2k0f h ILE 48 CO -0.00 0.45 0.41 0.78 -0.69 0.00 0.00 178.15 179.10 2k0f h ASN 49 N 0.67 0.00 0.89 1.72 2.35 -0.45 0.28 115.58 121.04 2k0f h ASN 49 Ca 0.09 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.63 2k0f h ASN 49 Cb 0.76 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.10 2k0f h ASN 49 CO 0.06 0.00 -1.19 -0.08 -1.65 0.00 0.00 177.43 174.57 2k0f h GLU 50 N 0.00 0.00 0.01 0.81 4.81 -1.70 -3.25 114.58 115.25 2k0f h GLU 50 Ca 0.12 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.15 2k0f h GLU 50 Cb 0.94 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2k0f h GLU 50 CO -0.00 0.65 -0.89 0.28 -0.73 0.00 0.00 179.01 178.32 2k0f h VAL 51 N 0.00 1.49 -2.79 0.32 2.07 -1.13 -3.46 116.25 112.75 2k0f h VAL 51 Ca -0.11 -2.62 -0.57 0.00 0.82 0.00 0.00 66.70 64.22 2k0f h VAL 51 Cb 1.75 2.47 -0.03 0.00 -1.52 0.00 0.00 31.29 33.96 2k0f h VAL 51 CO 0.09 0.76 1.12 -0.62 0.02 0.00 0.00 177.57 178.95 2k0f s ASP 52 N -6.95 6.38 0.40 0.57 -1.08 0.80 -4.84 116.67 111.96 2k0f s ASP 52 Ca -0.03 1.59 0.22 0.00 -0.52 0.00 0.00 52.55 53.80 2k0f s ASP 52 Cb 0.10 -2.53 0.69 0.00 -1.46 0.00 0.00 42.92 39.71 2k0f s ASP 52 CO 0.83 -1.26 1.72 0.00 0.52 0.00 0.00 175.17 176.99 2k0f h ALA 53 N 10.70 0.94 0.13 3.66 0.00 -1.89 -3.24 119.26 129.56 2k0f h ALA 53 Ca -0.33 -0.25 -0.31 0.00 0.00 0.00 0.00 54.91 54.02 2k0f h ALA 53 Cb 1.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2k0f h ALA 53 CO 1.00 0.34 -1.61 -0.44 0.00 0.00 0.00 179.25 178.54 2k0f h ASP 54 N 0.00 0.42 0.00 0.00 3.32 -1.95 -3.49 116.42 114.72 2k0f h ASP 54 Ca -0.00 -0.88 0.00 0.00 0.02 0.00 0.00 57.03 56.17 2k0f h ASP 54 Cb 0.91 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.32 2k0f h ASP 54 CO 0.04 1.71 0.00 0.61 -1.72 0.00 0.00 179.24 179.87 2k0f n GLY 55 N 1.81 1.15 0.12 2.75 0.00 -1.23 -5.04 105.19 104.75 2k0f n GLY 55 Ca -0.27 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 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 1.52 0.00 1.61 6.94 -1.26 -5.00 115.26 119.07 2k0f n ASN 56 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.57 2k0f n ASN 56 Cb 0.00 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 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 2.04 1.41 3.36 4.83 0.00 -1.26 -5.08 105.19 110.49 2k0f n GLY 57 Ca -0.38 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 3.21 -0.05 2.61 -4.23 -1.26 -4.70 115.64 109.21 2k0f s THR 58 Ca 0.00 -0.59 -0.26 0.00 -1.18 0.00 0.00 61.69 59.67 2k0f s THR 58 Cb 0.00 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.42 2k0f s THR 58 CO 0.00 0.50 0.79 -0.51 -0.54 0.00 0.00 174.62 174.86 2k0f s ILE 59 N 0.66 4.98 0.26 2.99 1.10 -1.23 -4.96 121.20 125.00 2k0f s ILE 59 Ca -0.05 1.65 0.05 0.00 -0.51 0.00 0.00 60.65 61.78 2k0f s ILE 59 Cb -0.15 -4.13 -0.03 0.00 0.15 0.00 0.00 42.46 38.30 2k0f s ILE 59 CO 0.02 0.21 0.38 -1.81 -2.11 0.00 0.00 174.94 171.63 2k0f s ASP 60 N 0.89 6.27 0.23 4.50 1.11 -1.26 -4.13 116.67 124.28 2k0f s ASP 60 Ca 0.42 0.05 -0.08 0.00 0.18 0.00 0.00 52.55 53.12 2k0f s ASP 60 Cb -0.19 -1.78 0.22 0.00 1.07 0.00 0.00 42.92 42.24 2k0f s ASP 60 CO 0.21 -0.13 1.90 0.15 1.18 0.00 0.00 175.17 178.48 2k0f h PHE 61 N 1.12 1.09 0.00 4.23 3.57 -1.96 -0.26 116.94 124.72 2k0f h PHE 61 Ca -0.51 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.02 2k0f h PHE 61 Cb 1.23 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2k0f h PHE 61 CO 0.45 0.68 0.00 -1.35 -2.23 0.00 0.00 178.31 175.85 2k0f h PRO 62 N 1.17 0.00 -0.05 6.41 0.11 -1.98 -2.15 132.00 135.51 2k0f h PRO 62 Ca 0.32 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.23 2k0f h PRO 62 Cb -0.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.00 2k0f h PRO 62 CO -0.08 0.00 -0.83 0.93 -0.21 0.00 0.00 178.00 177.82 2k0f h GLU 63 N 0.00 0.43 -0.34 1.05 5.08 -1.76 -2.02 114.58 117.02 2k0f h GLU 63 Ca 0.00 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2k0f h GLU 63 Cb 0.73 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2k0f h GLU 63 CO 0.00 1.04 0.20 0.35 -1.00 0.00 0.00 179.01 179.61 2k0f h PHE 64 N 0.27 0.45 -0.10 4.33 3.04 -0.96 -2.29 116.94 121.68 2k0f h PHE 64 Ca -0.05 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.88 2k0f h PHE 64 Cb 1.43 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.79 2k0f h PHE 64 CO 0.05 0.33 0.01 -0.07 -2.02 0.00 0.00 178.31 176.62 2k0f h LEU 65 N 0.44 0.12 -0.02 0.59 3.38 -1.39 -1.49 115.31 116.94 2k0f h LEU 65 Ca 0.12 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 2k0f h LEU 65 Cb 0.01 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.75 2k0f h LEU 65 CO -0.02 0.14 -0.69 0.74 0.09 0.00 0.00 178.44 178.70 2k0f h THR 66 N 0.14 1.38 -0.90 0.22 2.02 -1.14 0.59 112.91 115.21 2k0f h THR 66 Ca 0.04 -2.07 0.06 0.00 0.77 0.00 0.00 66.41 65.20 2k0f h THR 66 Cb 0.08 2.46 -0.06 0.00 -1.74 0.00 0.00 68.15 68.89 2k0f h THR 66 CO -0.00 0.62 0.57 -0.03 0.37 0.00 0.00 175.52 177.04 2k0f h MET 67 N 0.07 1.01 0.51 6.66 1.85 -0.90 -1.65 114.93 122.48 2k0f h MET 67 Ca -0.08 -0.06 -0.03 0.00 -0.61 0.00 0.00 59.70 58.92 2k0f h MET 67 Cb 1.38 -0.23 0.01 0.00 0.43 0.00 0.00 31.60 33.19 2k0f h MET 67 CO 0.14 0.67 -0.25 0.52 -0.40 0.00 0.00 176.91 177.59 2k0f h MET 68 N 1.04 -0.66 -0.26 0.39 2.07 -1.24 -3.40 114.93 112.87 2k0f h MET 68 Ca 0.39 0.05 -0.15 0.00 -2.07 0.00 0.00 59.70 57.91 2k0f h MET 68 Cb 0.15 0.15 -0.00 0.00 -1.87 0.00 0.00 31.60 30.03 2k0f h MET 68 CO -0.17 -0.44 -0.42 0.00 1.07 0.00 0.00 176.91 176.96 2k0f h ALA 69 N -1.39 0.41 -2.07 6.32 0.00 -0.19 -3.43 119.26 118.91 2k0f h ALA 69 Ca -0.07 -0.46 -0.57 0.00 0.00 0.00 0.00 54.91 53.81 2k0f h ALA 69 Cb 0.53 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2k0f h ALA 69 CO 0.12 0.52 0.92 0.50 0.00 0.00 0.00 179.25 181.31 2k0f s ARG 70 N -4.18 4.11 0.38 0.00 3.52 -0.69 -4.96 118.95 117.13 2k0f s ARG 70 Ca -0.12 1.47 -0.25 0.00 -0.13 0.00 0.00 55.73 56.70 2k0f s ARG 70 Cb 0.09 -3.80 -0.09 0.00 -1.56 0.00 0.00 34.95 29.59 2k0f s ARG 70 CO 0.85 -0.86 1.09 0.15 -0.81 0.00 0.00 175.30 175.73 2k0f s LYS 71 N 3.73 4.21 0.04 5.12 1.02 -1.26 -4.97 119.74 127.64 2k0f s LYS 71 Ca 0.54 1.66 0.00 0.00 0.02 0.00 0.00 55.97 58.19 2k0f s LYS 71 Cb -0.19 -2.70 0.01 0.00 -0.52 0.00 0.00 37.83 34.43 2k0f s LYS 71 CO 0.17 -0.13 0.06 -1.33 -0.92 0.00 0.00 175.35 173.20 2k0f n MET 72 N 0.20 0.62 -1.79 1.68 2.81 -1.26 -5.11 117.12 114.27 2k0f n MET 72 Ca 0.04 -0.17 -0.29 0.00 -1.81 0.00 0.00 57.70 55.47 2k0f n MET 72 Cb 0.48 -0.04 0.08 0.00 -0.71 0.00 0.00 33.22 33.04 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 -2.50 2.10 0.24 0.03 1.02 -1.26 -4.96 119.74 114.41 2k0f s LYS 73 Ca 0.04 0.30 -0.08 0.00 0.02 0.00 0.00 55.97 56.25 2k0f s LYS 73 Cb -0.00 -1.95 0.41 0.00 -0.52 0.00 0.00 37.83 35.77 2k0f s LYS 73 CO 0.03 -1.54 1.62 0.22 -0.92 0.00 0.00 175.35 174.76 2k0f h ASP 74 N -1.02 -0.46 -0.50 2.83 3.58 -2.00 -2.98 116.42 115.88 2k0f h ASP 74 Ca -0.47 0.21 -0.09 0.00 0.42 0.00 0.00 57.03 57.10 2k0f h ASP 74 Cb 1.30 0.39 -0.02 0.00 1.72 0.00 0.00 39.33 42.72 2k0f h ASP 74 CO 0.64 -0.21 -0.03 0.71 -2.88 0.00 0.00 179.24 177.47 2k0f h THR 75 N 0.06 1.27 0.00 2.25 1.35 -1.99 -2.08 112.91 113.77 2k0f h THR 75 Ca 0.40 -1.14 -0.14 0.00 -0.55 0.00 0.00 66.41 64.99 2k0f h THR 75 Cb 0.69 1.00 -0.02 0.00 -1.73 0.00 0.00 68.15 68.09 2k0f h THR 75 CO -0.71 0.40 -0.65 0.44 -0.25 0.00 0.00 175.52 174.75 2k0f h ASP 76 N 0.77 0.00 -0.02 5.36 3.32 -1.96 -1.97 116.42 121.92 2k0f h ASP 76 Ca 0.14 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 2k0f h ASP 76 Cb 0.57 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.12 2k0f h ASP 76 CO 0.03 0.65 -0.42 0.28 -1.72 0.00 0.00 179.24 178.06 2k0f h SER 77 N 0.00 0.39 -0.55 6.45 0.02 -1.26 -1.06 113.55 117.55 2k0f h SER 77 Ca -0.01 -0.74 0.01 0.00 -0.84 0.00 0.00 61.79 60.21 2k0f h SER 77 Cb 1.37 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 2k0f h SER 77 CO 0.08 1.08 0.36 -0.33 -1.14 0.00 0.00 176.83 176.89 2k0f h GLU 78 N -0.26 0.70 -0.75 3.45 5.08 -1.46 -2.97 114.58 118.37 2k0f h GLU 78 Ca -0.05 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 78 Cb 1.13 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 2k0f h GLU 78 CO 0.08 0.47 0.48 1.49 -1.00 0.00 0.00 179.01 180.53 2k0f h GLU 79 N 0.73 0.93 -0.61 2.33 4.81 -1.17 -1.43 114.58 120.16 2k0f h GLU 79 Ca 0.21 -0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.48 2k0f h GLU 79 Cb -0.06 -0.21 -0.08 0.00 0.63 0.00 0.00 28.75 29.04 2k0f h GLU 79 CO -0.06 0.61 0.20 1.49 -0.73 0.00 0.00 179.01 180.52 2k0f h GLU 80 N 0.95 0.35 -0.06 1.92 4.81 -1.08 0.13 114.58 121.60 2k0f h GLU 80 Ca 0.29 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.31 2k0f h GLU 80 Cb -0.02 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.29 2k0f h GLU 80 CO -0.10 0.23 -0.73 0.82 -0.73 0.00 0.00 179.01 178.50 2k0f h ILE 81 N 0.36 1.34 -0.67 2.32 2.04 -1.41 -1.43 117.51 120.06 2k0f h ILE 81 Ca 0.31 -2.03 0.00 0.00 1.00 0.00 0.00 64.86 64.15 2k0f h ILE 81 Cb 0.42 2.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.76 2k0f h ILE 81 CO -0.34 0.62 0.42 -0.09 0.00 0.00 0.00 178.15 178.76 2k0f h ARG 82 N 0.23 0.89 -0.64 2.37 2.43 -0.74 -1.83 114.38 117.09 2k0f h ARG 82 Ca -0.07 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.09 2k0f h ARG 82 Cb 1.39 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.69 2k0f h ARG 82 CO 0.15 0.61 0.35 0.93 -1.51 0.00 0.00 179.97 180.50 2k0f h GLU 83 N 0.91 0.63 0.00 0.20 4.39 -0.77 -1.40 114.58 118.54 2k0f h GLU 83 Ca 0.24 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.85 2k0f h GLU 83 Cb -0.07 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 2k0f h GLU 83 CO -0.05 0.42 -0.27 0.00 -1.16 0.00 0.00 179.01 177.95 2k0f h ALA 84 N 1.33 1.33 0.09 3.43 0.00 -0.84 -2.03 119.26 122.58 2k0f h ALA 84 Ca 0.28 -0.25 -0.29 0.00 0.00 0.00 0.00 54.91 54.65 2k0f h ALA 84 Cb 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2k0f h ALA 84 CO -0.18 0.34 -1.48 0.35 0.00 0.00 0.00 179.25 178.28 2k0f h PHE 85 N 0.00 0.35 -0.07 0.00 3.57 -1.16 -3.25 116.94 116.39 2k0f h PHE 85 Ca -0.00 -0.26 0.02 0.00 3.53 0.00 0.00 57.97 61.26 2k0f h PHE 85 Cb 0.56 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 2k0f h PHE 85 CO 0.00 1.30 0.30 -0.09 -2.23 0.00 0.00 178.31 177.59 2k0f h ARG 86 N 0.05 0.00 0.00 1.11 2.43 -0.84 0.23 114.38 117.37 2k0f h ARG 86 Ca -0.22 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 2k0f h ARG 86 Cb 1.98 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.53 2k0f h ARG 86 CO 0.15 0.00 -0.11 0.28 -1.51 0.00 0.00 179.97 178.78 2k0f h VAL 87 N 0.00 1.07 0.00 0.20 2.07 -1.41 -3.38 116.25 114.81 2k0f h VAL 87 Ca 0.03 -0.39 -0.36 0.00 0.82 0.00 0.00 66.70 66.80 2k0f h VAL 87 Cb 0.64 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 31.55 2k0f h VAL 87 CO -0.00 0.11 -2.36 0.49 0.02 0.00 0.00 177.57 175.83 2k0f n PHE 88 N -4.39 0.00 -2.99 1.57 3.72 0.75 -4.83 117.46 111.28 2k0f n PHE 88 Ca -0.03 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.94 2k0f n PHE 88 Cb 0.19 -0.95 -0.05 0.00 -0.94 0.00 0.00 39.48 37.72 2k0f n PHE 88 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k0f s ASP 89 N -5.75 6.32 -0.09 4.37 2.15 -0.87 -4.71 116.67 118.08 2k0f s ASP 89 Ca -0.18 -0.48 -0.11 0.00 0.43 0.00 0.00 52.55 52.21 2k0f s ASP 89 Cb 0.07 -2.37 -0.09 0.00 -0.30 0.00 0.00 42.92 40.23 2k0f s ASP 89 CO 0.71 -1.02 0.40 0.50 -0.17 0.00 0.00 175.17 175.59 2k0f h LYS 90 N 9.11 -0.13 0.63 4.34 3.11 -1.89 -3.40 116.57 128.34 2k0f h LYS 90 Ca -0.26 0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.56 2k0f h LYS 90 Cb 1.08 0.03 0.01 0.00 -1.00 0.00 0.00 32.23 32.35 2k0f h LYS 90 CO 1.00 0.14 -0.30 0.38 -2.81 0.00 0.00 179.45 177.86 2k0f h ASP 91 N -1.00 -0.71 0.00 4.20 3.04 -1.96 -3.48 116.42 116.50 2k0f h ASP 91 Ca -0.01 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 2k0f h ASP 91 Cb 0.34 0.18 0.00 0.00 -1.04 0.00 0.00 39.33 38.81 2k0f h ASP 91 CO 0.02 -0.47 0.00 0.61 -2.04 0.00 0.00 179.24 177.36 2k0f n GLY 92 N -1.12 1.15 0.22 7.15 0.00 -1.26 -5.04 105.19 106.30 2k0f n GLY 92 Ca -0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.47 115.58 110.72 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 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 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 0.79 1.00 2.82 9.14 0.00 -1.26 -5.07 105.19 112.60 2k0f n GLY 94 Ca 0.03 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.35 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 -0.27 -0.47 1.61 1.51 -1.26 -4.23 117.35 112.24 2k0f s TYR 95 Ca 0.00 0.45 -0.29 0.00 -1.01 0.00 0.00 57.07 56.22 2k0f s TYR 95 Cb 0.00 -0.28 0.03 0.00 -0.11 0.00 0.00 41.96 41.59 2k0f s TYR 95 CO 0.00 -0.47 1.19 0.42 -1.11 0.00 0.00 175.55 175.58 2k0f s ILE 96 N 2.33 4.14 0.88 2.71 1.01 0.07 -4.86 121.20 127.48 2k0f s ILE 96 Ca 0.05 1.15 -0.13 0.00 0.00 0.00 0.00 60.65 61.72 2k0f s ILE 96 Cb -0.14 -4.53 0.12 0.00 0.01 0.00 0.00 42.46 37.92 2k0f s ILE 96 CO -0.10 -0.98 1.18 -0.94 0.00 0.00 0.00 174.94 174.11 2k0f s SER 97 N 2.77 3.87 0.54 3.58 1.04 -1.26 -1.09 113.70 123.16 2k0f s SER 97 Ca 0.50 0.77 0.32 0.00 0.48 0.00 0.00 55.95 58.02 2k0f s SER 97 Cb -0.08 -1.22 1.52 0.00 0.10 0.00 0.00 66.02 66.34 2k0f s SER 97 CO 0.32 -2.30 2.06 0.00 0.98 0.00 0.00 173.24 174.30 2k0f h ALA 98 N -1.33 1.12 -0.03 5.32 0.00 -1.96 -1.94 119.26 120.43 2k0f h ALA 98 Ca -0.47 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 2k0f h ALA 98 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2k0f h ALA 98 CO 0.60 0.10 -0.15 0.00 0.00 0.00 0.00 179.25 179.80 2k0f h ALA 99 N 1.92 0.06 -0.68 0.00 0.00 -1.99 -2.26 119.26 116.31 2k0f h ALA 99 Ca -0.00 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.56 2k0f h ALA 99 Cb 0.39 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2k0f h ALA 99 CO 0.01 0.00 0.42 0.93 0.00 0.00 0.00 179.25 180.62 2k0f h GLU 100 N -0.42 0.80 -0.05 0.00 5.08 -1.85 -2.19 114.58 115.96 2k0f h GLU 100 Ca -0.01 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 100 Cb 0.81 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2k0f h GLU 100 CO 0.03 0.53 0.02 1.25 -1.00 0.00 0.00 179.01 179.84 2k0f h LEU 101 N 0.82 0.07 -0.39 1.33 5.85 -1.43 -3.03 115.31 118.53 2k0f h LEU 101 Ca 0.28 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.87 2k0f h LEU 101 Cb 0.03 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 2k0f h LEU 101 CO -0.11 0.24 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.13 2k0f h ARG 102 N -0.11 0.09 -0.45 1.25 2.43 -1.06 -0.14 114.38 116.39 2k0f h ARG 102 Ca 0.01 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 2k0f h ARG 102 Cb 0.20 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.67 2k0f h ARG 102 CO -0.00 0.06 0.11 1.25 -1.51 0.00 0.00 179.97 179.88 2k0f h HIS 103 N 0.09 0.18 -0.36 2.20 2.76 -1.50 -1.58 115.15 116.94 2k0f h HIS 103 Ca 0.19 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.33 2k0f h HIS 103 Cb 0.27 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 2k0f h HIS 103 CO -0.27 0.03 0.00 0.28 -1.30 0.00 0.00 177.93 176.67 2k0f h VAL 104 N 0.25 1.21 0.29 5.26 2.07 -1.27 -1.80 116.25 122.25 2k0f h VAL 104 Ca 0.22 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2k0f h VAL 104 Cb 0.26 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2k0f h VAL 104 CO -0.27 0.28 -0.14 0.24 0.02 0.00 0.00 177.57 177.71 2k0f h MET 105 N 0.55 -0.37 -0.84 1.57 2.07 -0.85 -0.83 114.93 116.23 2k0f h MET 105 Ca 0.12 0.03 0.18 0.00 -2.07 0.00 0.00 59.70 57.95 2k0f h MET 105 Cb 0.35 0.08 -0.16 0.00 -1.87 0.00 0.00 31.60 30.01 2k0f h MET 105 CO 0.01 -0.07 -0.16 1.15 1.07 0.00 0.00 176.91 178.91 2k0f h THR 106 N -0.68 0.18 -0.32 2.22 2.02 -1.08 -0.34 112.91 114.91 2k0f h THR 106 Ca -0.04 -0.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.98 2k0f h THR 106 Cb 0.47 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2k0f h THR 106 CO 0.06 0.00 -0.42 0.78 0.37 0.00 0.00 175.52 176.32 2k0f h ASN 107 N 0.01 0.86 1.18 4.18 2.35 -1.33 -3.17 115.58 119.66 2k0f h ASN 107 Ca 0.42 -0.40 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 2k0f h ASN 107 Cb 0.67 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 2k0f h ASN 107 CO -0.84 1.16 -0.51 0.25 -1.65 0.00 0.00 177.43 175.84 2k0f h LEU 108 N 0.65 0.00 0.00 1.61 5.85 -0.92 -3.43 115.31 119.07 2k0f h LEU 108 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2k0f h LEU 108 Cb 0.98 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2k0f h LEU 108 CO 0.09 0.51 0.00 0.61 -0.34 0.00 0.00 178.44 179.32 2k0f n GLY 109 N 0.85 1.41 3.62 3.75 0.00 -0.44 -4.80 105.19 109.58 2k0f n GLY 109 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.09 4.06 -1.22 1.61 0.41 -0.27 -4.96 118.70 118.24 2k0f s GLU 110 Ca 0.00 0.19 -0.05 0.00 -0.41 0.00 0.00 54.97 54.71 2k0f s GLU 110 Cb 0.00 -3.64 0.19 0.00 -1.78 0.00 0.00 34.13 28.90 2k0f s GLU 110 CO 0.00 -0.29 2.12 1.63 -0.49 0.00 0.00 175.26 178.23 2k0f n LYS 111 N 5.36 4.73 -2.07 1.61 5.02 -1.26 -4.01 118.16 127.53 2k0f n LYS 111 Ca -0.06 -3.87 -0.28 0.00 -2.02 0.00 0.00 58.31 52.08 2k0f n LYS 111 Cb 0.50 -2.61 0.10 0.00 -0.02 0.00 0.00 35.03 33.01 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 -2.57 2.70 0.00 -0.35 2.34 -1.26 -5.14 118.68 114.41 2k0f s LEU 112 Ca 0.47 0.46 0.05 0.00 0.06 0.00 0.00 54.13 55.17 2k0f s LEU 112 Cb 0.17 -2.90 0.05 0.00 -0.56 0.00 0.00 46.19 42.96 2k0f s LEU 112 CO -0.08 -1.97 0.45 0.35 -1.06 0.00 0.00 176.35 174.04 2k0f n THR 113 N -3.23 0.00 0.26 5.48 -2.24 -1.26 -5.01 114.28 108.28 2k0f n THR 113 Ca 0.10 -2.01 0.15 0.00 -2.27 0.00 0.00 64.05 60.03 2k0f n THR 113 Cb 0.60 -0.14 0.59 0.00 -2.10 0.00 0.00 70.33 69.28 2k0f n THR 113 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 114 N 0.52 0.00 -0.80 3.42 3.32 -2.00 -2.46 116.42 118.42 2k0f h ASP 114 Ca -0.31 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.69 2k0f h ASP 114 Cb 1.19 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.71 2k0f h ASP 114 CO 0.49 0.05 0.33 -0.33 -1.72 0.00 0.00 179.24 178.05 2k0f h GLU 115 N 0.00 1.20 -0.17 3.56 3.07 -1.99 -1.87 114.58 118.39 2k0f h GLU 115 Ca -0.00 -0.21 -0.21 0.00 -0.50 0.00 0.00 59.36 58.43 2k0f h GLU 115 Cb 0.60 -0.20 0.01 0.00 -0.84 0.00 0.00 28.75 28.32 2k0f h GLU 115 CO 0.01 0.96 -0.73 0.93 -1.40 0.00 0.00 179.01 178.78 2k0f h GLU 116 N 1.17 0.75 -0.04 2.33 4.39 -1.84 -0.80 114.58 120.55 2k0f h GLU 116 Ca 0.27 -0.59 0.03 0.00 0.34 0.00 0.00 59.36 59.41 2k0f h GLU 116 Cb 0.21 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 2k0f h GLU 116 CO -0.02 1.20 -0.13 0.28 -1.16 0.00 0.00 179.01 179.18 2k0f h VAL 117 N 0.53 0.68 -0.18 3.13 2.07 -1.41 -2.70 116.25 118.37 2k0f h VAL 117 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2k0f h VAL 117 Cb 1.35 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2k0f h VAL 117 CO 0.15 0.00 0.05 -0.78 0.02 0.00 0.00 177.57 177.01 2k0f h ASP 118 N -0.19 0.26 -0.83 0.57 3.58 -1.25 -2.73 116.42 115.82 2k0f h ASP 118 Ca 0.06 -0.21 0.14 0.00 0.42 0.00 0.00 57.03 57.44 2k0f h ASP 118 Cb 0.27 -0.07 -0.09 0.00 1.72 0.00 0.00 39.33 41.16 2k0f h ASP 118 CO -0.15 0.40 0.42 -0.08 -2.88 0.00 0.00 179.24 176.94 2k0f h GLU 119 N 0.11 0.59 0.69 0.28 4.81 -1.15 -0.36 114.58 119.54 2k0f h GLU 119 Ca 0.06 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 2k0f h GLU 119 Cb 0.23 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 2k0f h GLU 119 CO -0.00 0.39 -0.42 0.52 -0.73 0.00 0.00 179.01 178.77 2k0f h MET 120 N 0.61 -1.01 -0.66 1.92 2.86 -1.49 -0.35 114.93 116.81 2k0f h MET 120 Ca 0.44 0.07 0.14 0.00 -2.06 0.00 0.00 59.70 58.29 2k0f h MET 120 Cb 0.61 0.23 -0.11 0.00 0.06 0.00 0.00 31.60 32.39 2k0f h MET 120 CO -0.35 -0.67 -0.02 0.82 1.06 0.00 0.00 176.91 177.75 2k0f h ILE 121 N -1.05 0.43 0.00 -1.22 1.08 -0.89 -1.00 117.51 114.86 2k0f h ILE 121 Ca -0.09 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 2k0f h ILE 121 Cb 0.85 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 2k0f h ILE 121 CO 0.09 0.02 0.00 0.03 -0.69 0.00 0.00 178.15 177.60 2k0f h ARG 122 N 0.10 0.00 -0.05 2.37 3.08 -0.97 0.41 114.38 119.32 2k0f h ARG 122 Ca 0.35 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.36 2k0f h ARG 122 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 2k0f h ARG 122 CO -0.58 0.00 -0.13 1.49 -1.07 0.00 0.00 179.97 179.68 2k0f h GLU 123 N 0.00 0.18 0.00 0.04 4.81 0.27 -3.34 114.58 116.54 2k0f h GLU 123 Ca 0.00 -0.12 -0.24 0.00 -0.13 0.00 0.00 59.36 58.86 2k0f h GLU 123 Cb 0.68 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 2k0f h GLU 123 CO 0.00 0.73 -1.33 0.00 -0.73 0.00 0.00 179.01 177.68 2k0f h ALA 124 N 0.45 0.57 -2.06 2.92 0.00 -0.97 -3.45 119.26 116.72 2k0f h ALA 124 Ca -0.00 -1.15 -0.56 0.00 0.00 0.00 0.00 54.91 53.19 2k0f h ALA 124 Cb 0.73 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2k0f h ALA 124 CO 0.03 1.38 1.09 0.34 0.00 0.00 0.00 179.25 182.09 2k0f s ASP 125 N -6.39 6.48 -0.13 0.00 2.15 0.10 -4.86 116.67 114.01 2k0f s ASP 125 Ca -0.02 1.66 -0.14 0.00 0.43 0.00 0.00 52.55 54.48 2k0f s ASP 125 Cb 0.09 -2.53 -0.05 0.00 -0.30 0.00 0.00 42.92 40.13 2k0f s ASP 125 CO 0.82 -1.17 -0.28 -0.38 -0.17 0.00 0.00 175.17 173.99 2k0f n ILE 126 N 6.21 1.30 0.10 4.11 5.41 -1.26 -4.78 119.36 130.45 2k0f n ILE 126 Ca 0.18 0.20 -0.13 0.00 1.00 0.00 0.00 62.75 64.00 2k0f n ILE 126 Cb 0.45 -2.18 -0.06 0.00 -0.71 0.00 0.00 39.64 37.14 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -0.80 -0.86 0.00 4.38 3.04 -1.94 -3.47 116.42 116.77 2k0f h ASP 127 Ca 0.00 0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 2k0f h ASP 127 Cb 0.80 0.33 0.00 0.00 -1.04 0.00 0.00 39.33 39.42 2k0f h ASP 127 CO 0.00 -0.38 0.00 0.61 -2.04 0.00 0.00 179.24 177.43 2k0f n GLY 128 N -1.40 0.46 0.27 7.15 0.00 -1.26 -5.01 105.19 105.39 2k0f n GLY 128 Ca -0.06 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.96 -3.47 116.42 114.62 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 0.05 0.00 0.61 -1.03 0.00 0.00 179.24 178.87 2k0f n GLY 130 N 0.04 0.43 3.39 7.15 0.00 -1.26 -5.05 105.19 109.89 2k0f n GLY 130 Ca 0.00 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.71 1.45 -0.42 1.61 -0.21 -1.26 -4.58 119.66 114.53 2k0f s GLN 131 Ca 0.00 -1.56 -0.16 0.00 0.02 0.00 0.00 55.36 53.67 2k0f s GLN 131 Cb 0.00 -1.54 0.02 0.00 1.00 0.00 0.00 33.01 32.49 2k0f s GLN 131 CO 0.00 0.31 0.34 0.08 -2.12 0.00 0.00 175.29 173.90 2k0f s VAL 132 N -2.20 5.21 0.75 1.09 1.01 -0.25 -4.83 120.40 121.18 2k0f s VAL 132 Ca 0.22 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 2k0f s VAL 132 Cb -0.05 -3.98 0.17 0.00 0.00 0.00 0.00 36.38 32.52 2k0f s VAL 132 CO 0.10 -0.36 1.02 -0.46 0.00 0.00 0.00 175.10 175.39 2k0f n ASN 133 N 5.28 0.21 -0.34 3.32 0.23 -1.26 -0.75 115.26 121.95 2k0f n ASN 133 Ca -0.10 -1.45 0.01 0.00 -0.53 0.00 0.00 54.58 52.51 2k0f n ASN 133 Cb 0.47 -0.76 0.15 0.00 -2.08 0.00 0.00 39.78 37.56 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N -1.47 1.12 -0.86 -2.53 3.20 -1.98 -1.94 116.97 112.52 2k0f h TYR 134 Ca -0.33 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.57 2k0f h TYR 134 Cb 0.94 -0.37 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 2k0f h TYR 134 CO 0.00 0.59 0.54 0.93 -1.64 0.00 0.00 178.16 178.57 2k0f h GLU 135 N 1.11 1.16 -0.74 1.82 5.08 -1.96 -1.34 114.58 119.71 2k0f h GLU 135 Ca 0.40 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 2k0f h GLU 135 Cb 0.14 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2k0f h GLU 135 CO -0.16 0.80 0.38 0.93 -1.00 0.00 0.00 179.01 179.96 2k0f h GLU 136 N 1.18 1.05 -0.34 2.33 5.08 -1.76 0.74 114.58 122.86 2k0f h GLU 136 Ca 0.31 -0.14 -0.16 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 136 Cb -0.07 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 28.97 2k0f h GLU 136 CO -0.06 0.81 -0.42 0.35 -1.00 0.00 0.00 179.01 178.69 2k0f h PHE 137 N 1.03 1.07 -0.30 4.33 3.04 -1.29 -2.97 116.94 121.85 2k0f h PHE 137 Ca 0.26 -0.34 -0.04 0.00 3.98 0.00 0.00 57.97 61.83 2k0f h PHE 137 Cb 0.08 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.36 2k0f h PHE 137 CO 0.00 1.16 0.03 0.28 -2.02 0.00 0.00 178.31 177.76 2k0f h VAL 138 N 0.68 1.24 -0.46 1.41 2.07 -1.08 -3.06 116.25 117.05 2k0f h VAL 138 Ca 0.04 -0.86 0.09 0.00 0.82 0.00 0.00 66.70 66.80 2k0f h VAL 138 Cb 1.01 1.21 -0.10 0.00 -1.52 0.00 0.00 31.29 31.90 2k0f h VAL 138 CO 0.10 0.28 -0.27 -0.61 0.02 0.00 0.00 177.57 177.09 2k0f h GLN 139 N 0.33 -0.17 -0.06 1.57 5.75 -0.91 -1.11 115.11 120.51 2k0f h GLN 139 Ca 0.09 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 2k0f h GLN 139 Cb 0.38 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 2k0f h GLN 139 CO 0.01 -0.11 -0.09 0.00 -2.65 0.00 0.00 178.83 175.99 2k0f h MET 140 N -0.17 0.09 0.00 1.69 -0.00 -1.54 -3.32 114.93 111.67 2k0f h MET 140 Ca 0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.89 2k0f h MET 140 Cb 0.50 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.09 2k0f h MET 140 CO -0.56 0.19 -0.43 1.98 -0.00 0.00 0.00 176.91 178.09 2k0f h MET 141 N 0.09 0.00 0.00 -0.10 1.85 -1.36 -3.51 114.93 111.89 2k0f h MET 141 Ca 0.02 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.11 2k0f h MET 141 Cb 0.22 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.25 2k0f h MET 141 CO 0.01 0.00 0.00 0.25 -0.40 0.00 0.00 176.91 176.77