#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 0.46 -0.01 -0.78 3.07 -2.05 -2.12 114.58 113.14 2k0f h GLU 2 Ca 0.00 -0.03 -0.19 0.00 -0.50 0.00 0.00 59.36 58.65 2k0f h GLU 2 Cb 0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 2k0f h GLU 2 CO 0.00 0.30 -0.83 1.49 -1.40 0.00 0.00 179.01 178.58 2k0f h GLU 3 N 0.47 0.19 -0.19 2.33 4.57 -2.06 -2.60 114.58 117.29 2k0f h GLU 3 Ca 0.57 -0.20 -0.17 0.00 -1.18 0.00 0.00 59.36 58.38 2k0f h GLU 3 Cb 1.32 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.96 2k0f h GLU 3 CO -0.30 0.91 -0.58 0.37 -1.18 0.00 0.00 179.01 178.24 2k0f h GLN 4 N 0.12 0.62 -0.46 1.92 4.15 -1.86 -3.19 115.11 116.41 2k0f h GLN 4 Ca -0.04 -0.41 -0.05 0.00 0.77 0.00 0.00 58.65 58.92 2k0f h GLN 4 Cb 1.43 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 29.15 2k0f h GLN 4 CO 0.13 1.03 0.08 0.82 -1.93 0.00 0.00 178.83 178.95 2k0f h ILE 5 N 0.47 1.21 0.00 2.39 2.04 -1.41 -1.50 117.51 120.72 2k0f h ILE 5 Ca 0.00 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 2k0f h ILE 5 Cb 1.15 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2k0f h ILE 5 CO 0.11 0.29 -0.06 0.00 0.00 0.00 0.00 178.15 178.49 2k0f h ALA 6 N 1.40 1.85 -0.67 1.87 0.00 -1.45 0.28 119.26 122.54 2k0f h ALA 6 Ca 0.15 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2k0f h ALA 6 Cb 0.31 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2k0f h ALA 6 CO 0.00 0.07 0.13 0.93 0.00 0.00 0.00 179.25 180.39 2k0f h GLU 7 N 0.00 1.09 0.21 0.00 5.08 -1.28 0.02 114.58 119.71 2k0f h GLU 7 Ca -0.00 -0.28 -0.35 0.00 -1.00 0.00 0.00 59.36 57.73 2k0f h GLU 7 Cb 0.11 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.24 2k0f h GLU 7 CO 0.01 0.99 -1.66 0.74 -1.00 0.00 0.00 179.01 178.09 2k0f h PHE 8 N 1.02 0.80 -0.16 4.33 0.04 -1.49 -3.38 116.94 118.10 2k0f h PHE 8 Ca 0.21 -0.59 -0.10 0.00 2.80 0.00 0.00 57.97 60.29 2k0f h PHE 8 Cb 0.41 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 2k0f h PHE 8 CO 0.03 1.63 -0.33 -0.22 -0.60 0.00 0.00 178.31 178.83 2k0f h LYS 9 N 0.12 0.31 -0.01 1.51 3.64 -0.11 -3.30 116.57 118.73 2k0f h LYS 9 Ca -0.31 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2k0f h LYS 9 Cb 2.12 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.93 2k0f h LYS 9 CO 0.21 0.61 -0.60 0.39 -2.27 0.00 0.00 179.45 177.80 2k0f n GLU 10 N -4.09 0.54 -0.25 1.90 -0.58 -0.04 -2.20 120.64 115.92 2k0f n GLU 10 Ca -0.01 -0.40 0.02 0.00 -0.42 0.00 0.00 57.16 56.35 2k0f n GLU 10 Cb 0.43 -1.49 0.24 0.00 -0.57 0.00 0.00 31.44 30.05 2k0f n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k0f h ALA 11 N 3.41 1.49 -0.43 0.62 0.00 -1.74 -2.03 119.26 120.58 2k0f h ALA 11 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2k0f h ALA 11 Cb 0.58 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2k0f h ALA 11 CO 0.00 0.44 0.14 0.74 0.00 0.00 0.00 179.25 180.57 2k0f h PHE 12 N 1.03 0.68 -0.65 0.00 0.04 -1.60 -2.52 116.94 113.92 2k0f h PHE 12 Ca 0.32 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 61.00 2k0f h PHE 12 Cb 0.01 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 2k0f h PHE 12 CO -0.00 0.62 0.30 0.77 -0.60 0.00 0.00 178.31 179.40 2k0f h SER 13 N 0.55 0.85 -0.49 2.17 0.02 -1.59 -2.01 113.55 113.06 2k0f h SER 13 Ca 0.14 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2k0f h SER 13 Cb 0.25 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2k0f h SER 13 CO -0.01 0.73 0.29 0.25 -1.14 0.00 0.00 176.83 176.96 2k0f h LEU 14 N 0.93 0.48 -0.07 5.07 5.85 -1.00 -3.20 115.31 123.36 2k0f h LEU 14 Ca 0.23 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.72 2k0f h LEU 14 Cb 0.12 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2k0f h LEU 14 CO -0.03 0.34 -1.04 -0.26 -0.34 0.00 0.00 178.44 177.11 2k0f h PHE 15 N 0.59 0.38 -4.07 1.25 0.04 -1.36 -3.40 116.94 110.37 2k0f h PHE 15 Ca 0.19 -0.24 -0.55 0.00 2.80 0.00 0.00 57.97 60.16 2k0f h PHE 15 Cb 0.01 -0.03 0.15 0.00 2.20 0.00 0.00 35.95 38.27 2k0f h PHE 15 CO -0.06 1.12 0.58 0.34 -0.60 0.00 0.00 178.31 179.69 2k0f s ASP 16 N -7.01 5.00 -0.05 2.17 -1.08 -0.76 -4.71 116.67 110.22 2k0f s ASP 16 Ca -0.03 2.74 0.08 0.00 -0.52 0.00 0.00 52.55 54.81 2k0f s ASP 16 Cb 0.09 -2.63 0.13 0.00 -1.46 0.00 0.00 42.92 39.04 2k0f s ASP 16 CO 0.85 -1.75 1.07 0.29 0.52 0.00 0.00 175.17 176.15 2k0f n LYS 17 N -1.35 2.32 0.05 4.34 4.76 -1.26 -4.92 118.16 122.09 2k0f n LYS 17 Ca 0.12 -1.95 0.00 0.00 -2.87 0.00 0.00 58.31 53.62 2k0f n LYS 17 Cb 0.46 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2k0f n ASP 18 N -0.85 0.13 0.00 4.39 5.68 -1.26 -5.07 116.55 119.57 2k0f n ASP 18 Ca 0.07 0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 2k0f n ASP 18 Cb 0.41 0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 19 N 2.25 -0.09 0.09 6.12 0.00 -1.26 -5.03 105.19 107.28 2k0f n GLY 19 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.83 0.00 1.61 5.68 -1.26 -4.99 116.55 118.43 2k0f n ASP 20 Ca 0.00 0.27 0.00 0.00 -0.50 0.00 0.00 54.79 54.56 2k0f n ASP 20 Cb 0.00 0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 1.67 0.74 3.67 6.12 0.00 -1.26 -5.03 105.19 111.09 2k0f n GLY 21 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.62 5.26 -0.45 2.61 2.01 -1.26 -4.71 115.64 116.47 2k0f s THR 22 Ca 0.00 0.51 -0.12 0.00 0.31 0.00 0.00 61.69 62.39 2k0f s THR 22 Cb 0.00 -3.64 0.08 0.00 0.01 0.00 0.00 72.50 68.95 2k0f s THR 22 CO 0.00 0.28 0.34 0.27 -0.69 0.00 0.00 174.62 174.82 2k0f s ILE 23 N 1.24 4.74 0.43 1.82 -4.36 -1.26 -4.82 121.20 118.98 2k0f s ILE 23 Ca 0.15 -1.27 0.07 0.00 -0.26 0.00 0.00 60.65 59.34 2k0f s ILE 23 Cb -0.14 -3.88 -0.02 0.00 1.25 0.00 0.00 42.46 39.67 2k0f s ILE 23 CO 0.07 -0.57 0.35 0.42 0.24 0.00 0.00 174.94 175.44 2k0f s THR 24 N 1.53 2.52 0.40 8.37 -4.23 -1.26 -4.27 115.64 118.69 2k0f s THR 24 Ca 0.04 -1.42 0.20 0.00 -1.18 0.00 0.00 61.69 59.33 2k0f s THR 24 Cb -0.24 -2.93 0.21 0.00 1.34 0.00 0.00 72.50 70.88 2k0f s THR 24 CO 0.04 0.00 1.97 0.74 -0.54 0.00 0.00 174.62 176.83 2k0f h THR 25 N 1.07 0.90 -0.49 3.99 2.02 -1.96 -0.01 112.91 118.43 2k0f h THR 25 Ca -0.41 -0.78 -0.10 0.00 0.77 0.00 0.00 66.41 65.89 2k0f h THR 25 Cb 1.27 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 2k0f h THR 25 CO 0.60 0.20 -0.09 0.11 0.37 0.00 0.00 175.52 176.71 2k0f h LYS 26 N 0.00 0.89 0.20 6.66 1.57 -1.98 -1.53 116.57 122.38 2k0f h LYS 26 Ca -0.00 -0.30 -0.31 0.00 -1.87 0.00 0.00 60.65 58.16 2k0f h LYS 26 Cb 0.44 -0.07 0.03 0.00 0.08 0.00 0.00 32.23 32.71 2k0f h LYS 26 CO 0.03 0.94 -1.34 0.93 -0.57 0.00 0.00 179.45 179.44 2k0f h GLU 27 N 0.80 0.56 -0.32 3.15 5.08 -1.37 -1.72 114.58 120.76 2k0f h GLU 27 Ca 0.13 -0.87 -0.04 0.00 -1.00 0.00 0.00 59.36 57.58 2k0f h GLU 27 Cb 0.61 0.31 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2k0f h GLU 27 CO 0.04 1.41 0.03 -0.07 -1.00 0.00 0.00 179.01 179.41 2k0f h LEU 28 N 0.15 0.53 -0.60 1.33 3.38 -1.36 -1.39 115.31 117.35 2k0f h LEU 28 Ca -0.22 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.54 2k0f h LEU 28 Cb 2.03 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 42.58 2k0f h LEU 28 CO 0.25 0.68 0.27 1.23 0.09 0.00 0.00 178.44 180.96 2k0f h GLY 29 N 0.35 0.85 0.83 0.83 0.00 -1.28 0.17 103.07 104.83 2k0f h GLY 29 Ca 0.09 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.28 2k0f h GLY 29 CO 0.01 0.05 0.08 -0.84 0.00 0.00 0.00 176.54 175.84 2k0f h THR 30 N 0.49 0.95 -0.46 4.70 2.02 -1.15 0.14 112.91 119.60 2k0f h THR 30 Ca 0.29 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.40 2k0f h THR 30 Cb 0.29 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2k0f h THR 30 CO -0.25 0.03 0.25 0.58 0.37 0.00 0.00 175.52 176.51 2k0f h VAL 31 N 0.18 1.16 -0.09 3.16 2.07 -0.35 0.01 116.25 122.39 2k0f h VAL 31 Ca 0.10 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2k0f h VAL 31 Cb 0.06 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2k0f h VAL 31 CO -0.10 0.17 0.05 0.24 0.02 0.00 0.00 177.57 177.96 2k0f h MET 32 N 0.60 0.12 0.00 1.57 2.86 -0.54 -1.33 114.93 118.21 2k0f h MET 32 Ca 0.16 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 2k0f h MET 32 Cb 0.06 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 2k0f h MET 32 CO -0.03 0.14 -0.13 -0.09 1.06 0.00 0.00 176.91 177.86 2k0f h ARG 33 N 0.08 0.00 0.01 1.72 2.43 -0.48 0.33 114.38 118.48 2k0f h ARG 33 Ca 0.03 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2k0f h ARG 33 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2k0f h ARG 33 CO -0.01 0.13 -0.13 0.77 -1.51 0.00 0.00 179.97 179.23 2k0f h SER 34 N 0.00 0.10 0.27 -3.80 0.02 -0.68 -3.37 113.55 106.08 2k0f h SER 34 Ca -0.00 -0.86 -0.01 0.00 -0.84 0.00 0.00 61.79 60.07 2k0f h SER 34 Cb 0.29 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2k0f h SER 34 CO 0.02 0.95 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.46 2k0f h LEU 35 N -0.74 -0.31 0.00 5.07 3.38 -0.93 -3.49 115.31 118.29 2k0f h LEU 35 Ca -0.02 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2k0f h LEU 35 Cb 0.98 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2k0f h LEU 35 CO 0.03 -0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.12 2k0f n GLY 36 N -0.66 -0.09 3.80 0.83 0.00 0.08 -5.10 105.19 104.04 2k0f n GLY 36 Ca -0.10 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.63 4.14 -0.52 1.61 -0.21 -1.09 -4.91 119.66 117.05 2k0f s GLN 37 Ca 0.00 0.58 -0.25 0.00 0.02 0.00 0.00 55.36 55.71 2k0f s GLN 37 Cb 0.00 -3.28 0.03 0.00 1.00 0.00 0.00 33.01 30.77 2k0f s GLN 37 CO 0.00 0.55 0.97 -0.80 -2.12 0.00 0.00 175.29 173.89 2k0f s ASN 38 N -0.71 6.42 0.76 5.90 0.01 -1.26 -2.66 114.94 123.40 2k0f s ASN 38 Ca 0.27 -0.08 -0.11 0.00 -0.71 0.00 0.00 52.86 52.22 2k0f s ASN 38 Cb -0.18 -2.46 0.05 0.00 0.41 0.00 0.00 41.25 39.07 2k0f s ASN 38 CO 0.15 -1.19 1.13 -2.16 -1.51 0.00 0.00 177.10 173.52 2k0f s PRO 39 N 4.02 2.38 -0.42 -0.60 0.04 -1.26 -5.01 135.00 134.16 2k0f s PRO 39 Ca 0.35 0.25 -0.16 0.00 0.04 0.00 0.00 61.00 61.48 2k0f s PRO 39 Cb -0.11 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.46 2k0f s PRO 39 CO 0.23 -1.32 0.34 0.95 0.04 0.00 0.00 177.00 177.24 2k0f s THR 40 N -3.46 5.22 0.11 1.26 -4.23 -1.26 -5.01 115.64 108.27 2k0f s THR 40 Ca 0.60 -0.62 -0.21 0.00 -1.18 0.00 0.00 61.69 60.28 2k0f s THR 40 Cb -0.11 -3.97 -0.10 0.00 1.34 0.00 0.00 72.50 69.66 2k0f s THR 40 CO 0.50 -0.35 1.76 -0.08 -0.54 0.00 0.00 174.62 175.90 2k0f h GLU 41 N 8.66 0.14 0.00 3.99 4.81 -1.98 0.06 114.58 130.25 2k0f h GLU 41 Ca -0.27 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2k0f h GLU 41 Cb 1.12 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2k0f h GLU 41 CO 0.75 0.09 0.00 0.00 -0.73 0.00 0.00 179.01 179.12 2k0f h ALA 42 N 1.05 1.00 0.00 2.92 0.00 -1.98 0.18 119.26 122.43 2k0f h ALA 42 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 2k0f h ALA 42 Cb -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2k0f h ALA 42 CO -0.02 0.00 -0.93 0.93 0.00 0.00 0.00 179.25 179.23 2k0f h GLU 43 N 0.00 0.00 -0.74 0.00 5.08 -1.62 -3.24 114.58 114.06 2k0f h GLU 43 Ca 0.00 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.53 2k0f h GLU 43 Cb 0.39 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.51 2k0f h GLU 43 CO 0.00 0.80 -0.01 1.25 -1.00 0.00 0.00 179.01 180.05 2k0f h LEU 44 N -1.00 -0.37 -0.50 1.33 5.85 -0.72 -1.69 115.31 118.21 2k0f h LEU 44 Ca -0.23 0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.76 2k0f h LEU 44 Cb 1.09 0.35 -0.07 0.00 0.37 0.00 0.00 40.66 42.40 2k0f h LEU 44 CO -0.14 -0.18 0.12 -0.61 -0.34 0.00 0.00 178.44 177.28 2k0f h GLN 45 N 0.09 0.25 -0.35 1.25 5.75 -0.79 -2.84 115.11 118.48 2k0f h GLN 45 Ca 0.40 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.82 2k0f h GLN 45 Cb 0.69 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 2k0f h GLN 45 CO -0.66 0.17 -0.05 0.22 -2.65 0.00 0.00 178.83 175.85 2k0f h ASP 46 N 0.26 0.65 -1.02 -0.69 3.58 -1.34 -1.62 116.42 116.24 2k0f h ASP 46 Ca 0.25 -0.34 0.28 0.00 0.42 0.00 0.00 57.03 57.63 2k0f h ASP 46 Cb 0.33 -0.18 -0.06 0.00 1.72 0.00 0.00 39.33 41.14 2k0f h ASP 46 CO -0.31 0.84 0.70 0.24 -2.88 0.00 0.00 179.24 177.83 2k0f h MET 47 N 0.45 0.15 -0.06 0.28 2.86 -1.46 -1.19 114.93 115.95 2k0f h MET 47 Ca 0.09 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 2k0f h MET 47 Cb 0.54 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 2k0f h MET 47 CO 0.03 0.10 -0.09 0.82 1.06 0.00 0.00 176.91 178.83 2k0f h ILE 48 N 0.16 1.40 0.00 -1.22 2.04 -1.19 -3.20 117.51 115.50 2k0f h ILE 48 Ca 0.51 -1.34 -0.04 0.00 1.00 0.00 0.00 64.86 64.99 2k0f h ILE 48 Cb 1.74 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 39.98 2k0f h ILE 48 CO -0.10 0.37 -0.21 0.78 0.00 0.00 0.00 178.15 178.99 2k0f h ASN 49 N -0.32 0.00 -0.01 1.72 2.35 -0.59 -0.40 115.58 118.34 2k0f h ASN 49 Ca 0.01 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2k0f h ASN 49 Cb 0.64 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 2k0f h ASN 49 CO 0.02 0.21 -0.11 -0.08 -1.65 0.00 0.00 177.43 175.82 2k0f h GLU 50 N 0.00 -0.17 -0.09 0.81 4.81 -1.24 -3.18 114.58 115.51 2k0f h GLU 50 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2k0f h GLU 50 Cb 0.41 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2k0f h GLU 50 CO 0.03 -0.12 0.00 1.33 -0.73 0.00 0.00 179.01 179.52 2k0f n VAL 51 N -5.24 0.10 -2.15 0.32 0.24 -1.01 -4.86 118.33 105.73 2k0f n VAL 51 Ca -0.05 -0.40 -0.36 0.00 -2.04 0.00 0.00 64.34 61.48 2k0f n VAL 51 Cb 0.16 0.84 0.01 0.00 -1.47 0.00 0.00 33.84 33.38 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -1.86 5.70 0.00 -1.34 2.15 -0.19 -4.83 116.67 116.30 2k0f s ASP 52 Ca 0.34 2.34 0.00 0.00 0.43 0.00 0.00 52.55 55.66 2k0f s ASP 52 Cb 0.20 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 2k0f s ASP 52 CO 0.31 -1.24 0.00 0.00 -0.17 0.00 0.00 175.17 174.07 2k0f n ALA 53 N -1.05 2.30 -0.03 3.66 0.00 -1.26 -4.92 120.51 119.20 2k0f n ALA 53 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.40 2k0f n ALA 53 Cb 0.49 0.37 -0.10 0.00 0.00 0.00 0.00 19.45 20.22 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 0.00 0.24 0.00 0.00 3.04 -1.94 -3.48 116.42 114.28 2k0f h ASP 54 Ca 0.00 -0.62 0.00 0.00 -3.24 0.00 0.00 57.03 53.17 2k0f h ASP 54 Cb 0.74 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.96 2k0f h ASP 54 CO 0.00 0.82 0.00 0.61 -2.04 0.00 0.00 179.24 178.63 2k0f n GLY 55 N 0.59 0.68 0.13 7.15 0.00 -1.26 -5.00 105.19 107.48 2k0f n GLY 55 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.94 2k0f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 56 N 0.00 0.00 -0.05 1.61 -1.07 -1.99 -3.47 115.58 110.60 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 56 CO 0.00 0.60 0.00 0.61 0.07 0.00 0.00 177.43 178.71 2k0f n GLY 57 N 0.91 0.47 3.30 9.14 0.00 -1.26 -5.07 105.19 112.68 2k0f n GLY 57 Ca 0.01 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.05 1.82 -0.30 2.61 -4.23 -1.26 -4.77 115.64 107.46 2k0f s THR 58 Ca 0.00 -1.51 -0.24 0.00 -1.18 0.00 0.00 61.69 58.76 2k0f s THR 58 Cb 0.00 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.21 2k0f s THR 58 CO 0.00 0.04 0.81 -0.51 -0.54 0.00 0.00 174.62 174.42 2k0f s ILE 59 N -1.06 4.78 0.00 2.99 2.07 -1.26 -4.86 121.20 123.86 2k0f s ILE 59 Ca 0.08 1.27 0.00 0.00 -1.41 0.00 0.00 60.65 60.59 2k0f s ILE 59 Cb -0.10 -4.16 0.00 0.00 0.13 0.00 0.00 42.46 38.33 2k0f s ILE 59 CO 0.04 -0.24 0.00 0.47 -1.91 0.00 0.00 174.94 173.30 2k0f n ASP 60 N 6.23 0.97 0.49 4.50 8.00 -1.26 -4.52 116.55 130.96 2k0f n ASP 60 Ca 0.04 -0.32 -0.19 0.00 0.71 0.00 0.00 54.79 55.03 2k0f n ASP 60 Cb 0.48 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.49 2k0f n ASP 60 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2k0f h PHE 61 N 0.16 -1.17 0.00 1.24 3.57 -1.97 -1.17 116.94 117.61 2k0f h PHE 61 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2k0f h PHE 61 Cb 0.00 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.13 2k0f h PHE 61 CO 0.00 -0.73 0.00 -0.35 -2.23 0.00 0.00 178.31 175.00 2k0f n PRO 62 N -5.60 0.06 0.08 6.41 -0.04 -1.26 -1.54 135.00 133.10 2k0f n PRO 62 Ca -0.16 0.17 -0.05 0.00 -0.04 0.00 0.00 63.50 63.42 2k0f n PRO 62 Cb 0.50 -1.59 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.28 -0.60 0.54 5.08 -1.85 -1.01 114.58 116.46 2k0f h GLU 63 Ca 0.00 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.50 2k0f h GLU 63 Cb 0.43 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.64 2k0f h GLU 63 CO 0.00 -0.15 -0.07 0.35 -1.00 0.00 0.00 179.01 178.14 2k0f h PHE 64 N -1.07 -0.17 -0.50 4.33 3.57 -1.17 -1.04 116.94 120.88 2k0f h PHE 64 Ca -0.03 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.58 2k0f h PHE 64 Cb 0.26 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 2k0f h PHE 64 CO 0.01 -0.21 0.21 1.25 -2.23 0.00 0.00 178.31 177.34 2k0f h LEU 65 N 0.06 0.25 -1.22 0.59 5.85 -1.33 -1.93 115.31 117.58 2k0f h LEU 65 Ca 0.30 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.04 2k0f h LEU 65 Cb 0.48 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 2k0f h LEU 65 CO -0.57 0.17 -0.16 0.74 -0.34 0.00 0.00 178.44 178.29 2k0f h THR 66 N 0.41 0.40 -0.03 1.05 2.02 -0.80 -2.67 112.91 113.29 2k0f h THR 66 Ca 0.24 -0.94 -0.09 0.00 0.77 0.00 0.00 66.41 66.39 2k0f h THR 66 Cb 0.21 1.69 0.01 0.00 -1.74 0.00 0.00 68.15 68.32 2k0f h THR 66 CO -0.21 0.15 -0.35 -0.03 0.37 0.00 0.00 175.52 175.45 2k0f h MET 67 N 0.00 0.28 0.05 6.66 1.85 -0.57 -3.27 114.93 119.93 2k0f h MET 67 Ca -0.00 -0.27 -0.32 0.00 -0.61 0.00 0.00 59.70 58.50 2k0f h MET 67 Cb 0.67 0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.74 2k0f h MET 67 CO 0.02 0.95 -1.77 0.52 -0.40 0.00 0.00 176.91 176.23 2k0f h MET 68 N -0.29 0.11 0.00 0.39 2.86 -1.40 -3.29 114.93 113.32 2k0f h MET 68 Ca -0.04 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2k0f h MET 68 Cb 1.05 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.78 2k0f h MET 68 CO 0.07 0.79 0.00 0.00 1.06 0.00 0.00 176.91 178.83 2k0f h ALA 69 N 0.66 1.00 -2.69 6.32 0.00 -1.63 -3.46 119.26 119.46 2k0f h ALA 69 Ca -0.32 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.09 2k0f h ALA 69 Cb 2.02 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.83 2k0f h ALA 69 CO 0.09 0.00 0.46 0.50 0.00 0.00 0.00 179.25 180.30 2k0f s ARG 70 N -3.36 4.36 -0.22 0.00 3.52 -1.23 -5.02 118.95 116.99 2k0f s ARG 70 Ca 0.05 1.72 -0.17 0.00 -0.13 0.00 0.00 55.73 57.20 2k0f s ARG 70 Cb 0.09 -2.87 -0.03 0.00 -1.56 0.00 0.00 34.95 30.58 2k0f s ARG 70 CO 0.48 -0.02 0.46 0.21 -0.81 0.00 0.00 175.30 175.62 2k0f s LYS 71 N -1.98 4.15 0.83 5.12 2.47 -1.26 -5.04 119.74 124.04 2k0f s LYS 71 Ca 0.52 0.29 -0.14 0.00 -1.56 0.00 0.00 55.97 55.07 2k0f s LYS 71 Cb -0.29 -3.57 0.19 0.00 -1.46 0.00 0.00 37.83 32.70 2k0f s LYS 71 CO 0.36 -0.15 1.13 -1.33 0.16 0.00 0.00 175.35 175.52 2k0f n MET 72 N 4.83 -1.12 0.00 4.03 2.81 -1.26 -5.09 117.12 121.31 2k0f n MET 72 Ca -0.06 -1.74 0.00 0.00 -1.81 0.00 0.00 57.70 54.08 2k0f n MET 72 Cb 0.51 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.85 2k0f n MET 72 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2k0f n LYS 73 N -3.40 0.00 0.00 0.03 4.81 -1.26 -4.93 118.16 113.41 2k0f n LYS 73 Ca 0.14 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 2k0f n LYS 73 Cb 0.49 -0.57 0.00 0.00 0.02 0.00 0.00 35.03 34.97 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2k0f n ASP 74 N -1.42 0.00 -0.31 3.14 5.68 -1.26 -4.94 116.55 117.44 2k0f n ASP 74 Ca 0.00 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.40 2k0f n ASP 74 Cb 0.00 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.26 2k0f n ASP 74 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2k0f h THR 75 N 0.00 0.63 -0.13 2.12 1.35 -2.02 -3.02 112.91 111.84 2k0f h THR 75 Ca 0.00 -0.19 0.04 0.00 -0.55 0.00 0.00 66.41 65.70 2k0f h THR 75 Cb 0.00 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.43 2k0f h THR 75 CO 0.00 0.10 0.09 0.44 -0.25 0.00 0.00 175.52 175.91 2k0f h ASP 76 N 0.56 0.00 0.87 5.36 3.32 -1.98 -2.18 116.42 122.38 2k0f h ASP 76 Ca 0.52 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.43 2k0f h ASP 76 Cb 0.86 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 2k0f h ASP 76 CO -0.43 0.00 -0.66 0.28 -1.72 0.00 0.00 179.24 176.71 2k0f h SER 77 N 0.00 0.00 0.42 6.45 0.02 -1.88 -2.42 113.55 116.14 2k0f h SER 77 Ca 0.06 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.70 2k0f h SER 77 Cb 0.25 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.81 2k0f h SER 77 CO -0.00 0.66 -1.42 -0.33 -1.14 0.00 0.00 176.83 174.60 2k0f h GLU 78 N 0.00 0.39 -0.89 3.45 5.08 -1.55 -3.37 114.58 117.69 2k0f h GLU 78 Ca -0.01 -0.67 -0.01 0.00 -1.00 0.00 0.00 59.36 57.67 2k0f h GLU 78 Cb 1.28 0.25 -0.04 0.00 0.50 0.00 0.00 28.75 30.73 2k0f h GLU 78 CO 0.09 1.31 0.50 0.93 -1.00 0.00 0.00 179.01 180.84 2k0f h GLU 79 N 0.11 1.23 0.00 2.33 5.08 -1.30 0.12 114.58 122.15 2k0f h GLU 79 Ca -0.22 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 57.97 2k0f h GLU 79 Cb 2.07 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 31.07 2k0f h GLU 79 CO 0.23 0.88 -0.20 1.05 -1.00 0.00 0.00 179.01 179.98 2k0f h GLU 80 N 1.24 0.00 0.06 2.33 4.11 -1.60 0.46 114.58 121.17 2k0f h GLU 80 Ca 0.31 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.46 2k0f h GLU 80 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2k0f h GLU 80 CO -0.05 0.20 -1.49 0.82 0.07 0.00 0.00 179.01 178.55 2k0f h ILE 81 N 0.00 1.16 -0.03 -1.06 1.08 -1.65 -0.87 117.51 116.13 2k0f h ILE 81 Ca -0.00 -2.88 0.02 0.00 -0.39 0.00 0.00 64.86 61.60 2k0f h ILE 81 Cb 0.66 2.67 -0.02 0.00 -3.07 0.00 0.00 36.82 37.05 2k0f h ILE 81 CO 0.03 0.76 -0.08 -0.09 -0.69 0.00 0.00 178.15 178.08 2k0f h ARG 82 N 0.03 -0.11 0.00 2.37 2.43 0.04 -2.20 114.38 116.94 2k0f h ARG 82 Ca -0.21 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 2k0f h ARG 82 Cb 1.96 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.53 2k0f h ARG 82 CO 0.13 -0.07 -0.19 0.93 -1.51 0.00 0.00 179.97 179.26 2k0f h GLU 83 N -0.12 0.00 -0.61 0.20 4.39 -0.15 -0.52 114.58 117.77 2k0f h GLU 83 Ca 0.04 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 2k0f h GLU 83 Cb 0.17 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2k0f h GLU 83 CO -0.10 0.19 0.05 0.00 -1.16 0.00 0.00 179.01 177.99 2k0f h ALA 84 N 1.81 0.82 -0.55 3.43 0.00 -1.08 -2.99 119.26 120.70 2k0f h ALA 84 Ca -0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 2k0f h ALA 84 Cb 0.40 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2k0f h ALA 84 CO 0.02 0.62 0.03 0.35 0.00 0.00 0.00 179.25 180.27 2k0f h PHE 85 N 0.95 1.03 0.00 0.00 3.57 -0.79 -3.14 116.94 118.55 2k0f h PHE 85 Ca 0.18 -0.17 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 2k0f h PHE 85 Cb 0.49 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2k0f h PHE 85 CO 0.04 0.93 -0.30 0.00 -2.23 0.00 0.00 178.31 176.74 2k0f h ARG 86 N 0.83 0.00 -0.28 1.11 3.08 -1.02 0.58 114.38 118.68 2k0f h ARG 86 Ca 0.16 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 2k0f h ARG 86 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 2k0f h ARG 86 CO 0.02 0.30 0.05 0.28 -1.07 0.00 0.00 179.97 179.55 2k0f h VAL 87 N 0.00 1.23 0.10 2.04 2.07 -1.48 -3.35 116.25 116.86 2k0f h VAL 87 Ca -0.00 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 2k0f h VAL 87 Cb 0.76 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2k0f h VAL 87 CO 0.04 0.26 -0.05 -0.26 0.02 0.00 0.00 177.57 177.58 2k0f h PHE 88 N 0.29 -0.13 -1.18 1.57 0.04 -1.38 -3.43 116.94 112.72 2k0f h PHE 88 Ca 0.09 -0.00 -0.40 0.00 2.80 0.00 0.00 57.97 60.46 2k0f h PHE 88 Cb 0.33 0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.47 2k0f h PHE 88 CO 0.02 0.38 1.01 0.34 -0.60 0.00 0.00 178.31 179.46 2k0f s ASP 89 N -5.64 5.40 0.10 2.17 2.15 0.11 -4.66 116.67 116.30 2k0f s ASP 89 Ca -0.13 -0.50 -0.28 0.00 0.43 0.00 0.00 52.55 52.08 2k0f s ASP 89 Cb -0.00 -2.55 -0.12 0.00 -0.30 0.00 0.00 42.92 39.94 2k0f s ASP 89 CO 0.49 -2.45 1.66 0.50 -0.17 0.00 0.00 175.17 175.20 2k0f h LYS 90 N 11.98 -0.46 0.26 4.34 3.64 -1.83 -3.37 116.57 131.13 2k0f h LYS 90 Ca -0.00 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2k0f h LYS 90 Cb 1.05 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2k0f h LYS 90 CO 1.24 -0.31 -0.13 0.38 -2.27 0.00 0.00 179.45 178.37 2k0f h ASP 91 N -0.48 -0.30 0.00 4.20 3.04 -1.95 -3.49 116.42 117.44 2k0f h ASP 91 Ca -0.01 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 91 Cb 0.43 0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.80 2k0f h ASP 91 CO -0.03 0.03 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 2k0f n GLY 92 N 0.68 -0.88 0.10 7.15 0.00 -1.26 -5.06 105.19 105.93 2k0f n GLY 92 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 7.08 -1.94 -3.46 115.58 118.86 2k0f h ASN 93 Ca 0.00 -0.10 0.00 0.00 -3.08 0.00 0.00 56.30 53.12 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 93 CO 0.00 0.05 0.00 0.61 -2.08 0.00 0.00 177.43 176.01 2k0f n GLY 94 N 1.27 0.76 2.79 9.14 0.00 -1.26 -5.04 105.19 112.84 2k0f n GLY 94 Ca 0.03 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 1.67 0.13 1.61 1.51 -1.26 -4.04 117.35 114.97 2k0f s TYR 95 Ca 0.00 -1.43 -0.31 0.00 -1.01 0.00 0.00 57.07 54.32 2k0f s TYR 95 Cb 0.00 -1.44 -0.08 0.00 -0.11 0.00 0.00 41.96 40.33 2k0f s TYR 95 CO 0.00 -0.75 1.41 0.42 -1.11 0.00 0.00 175.55 175.52 2k0f s ILE 96 N 1.64 3.18 0.44 2.71 1.01 0.12 -4.85 121.20 125.45 2k0f s ILE 96 Ca 0.02 0.86 0.07 0.00 0.00 0.00 0.00 60.65 61.59 2k0f s ILE 96 Cb -0.18 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 2k0f s ILE 96 CO -0.13 0.07 0.33 -0.94 0.00 0.00 0.00 174.94 174.27 2k0f s SER 97 N 1.04 4.78 0.15 3.58 1.04 -1.26 -1.45 113.70 121.58 2k0f s SER 97 Ca 0.65 -0.95 -0.24 0.00 0.48 0.00 0.00 55.95 55.89 2k0f s SER 97 Cb -0.38 -0.34 0.02 0.00 0.10 0.00 0.00 66.02 65.42 2k0f s SER 97 CO 0.31 -0.72 1.61 0.00 0.98 0.00 0.00 173.24 175.42 2k0f h ALA 98 N 1.08 -0.28 -0.56 5.32 0.00 -1.96 -1.18 119.26 121.68 2k0f h ALA 98 Ca -0.41 0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.68 2k0f h ALA 98 Cb 1.27 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 19.62 2k0f h ALA 98 CO 0.61 -0.76 0.01 0.00 0.00 0.00 0.00 179.25 179.11 2k0f h ALA 99 N 0.59 0.54 -0.16 0.00 0.00 -1.98 0.10 119.26 118.36 2k0f h ALA 99 Ca 0.13 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.23 2k0f h ALA 99 Cb 0.54 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2k0f h ALA 99 CO -0.44 -0.38 0.01 0.93 0.00 0.00 0.00 179.25 179.36 2k0f h GLU 100 N 0.13 0.06 -0.09 0.00 5.08 -1.80 -0.25 114.58 117.70 2k0f h GLU 100 Ca 0.29 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.67 2k0f h GLU 100 Cb 0.45 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2k0f h GLU 100 CO -0.46 0.04 -0.05 1.25 -1.00 0.00 0.00 179.01 178.78 2k0f h LEU 101 N 0.06 -0.18 -0.37 1.33 5.85 -1.01 -2.64 115.31 118.35 2k0f h LEU 101 Ca 0.07 0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.67 2k0f h LEU 101 Cb 0.08 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2k0f h LEU 101 CO -0.12 -0.08 -0.39 -0.09 -0.34 0.00 0.00 178.44 177.42 2k0f h ARG 102 N -0.05 0.92 -0.81 1.25 2.43 -0.64 -2.29 114.38 115.19 2k0f h ARG 102 Ca 0.06 -0.49 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 2k0f h ARG 102 Cb 0.14 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 2k0f h ARG 102 CO -0.13 1.15 0.41 1.25 -1.51 0.00 0.00 179.97 181.14 2k0f h HIS 103 N 0.73 1.14 0.03 2.20 2.76 -1.10 -0.89 115.15 120.03 2k0f h HIS 103 Ca 0.06 -0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2k0f h HIS 103 Cb 0.99 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.59 2k0f h HIS 103 CO 0.07 0.82 -0.01 0.28 -1.30 0.00 0.00 177.93 177.78 2k0f h VAL 104 N 1.14 1.00 -0.72 5.26 2.07 -1.37 -2.72 116.25 120.91 2k0f h VAL 104 Ca 0.28 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.78 2k0f h VAL 104 Cb 0.09 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 2k0f h VAL 104 CO -0.04 0.03 0.39 0.24 0.02 0.00 0.00 177.57 178.21 2k0f h MET 105 N -0.08 0.68 -0.68 1.57 2.07 -0.79 -2.11 114.93 115.58 2k0f h MET 105 Ca -0.00 -0.04 0.09 0.00 -2.07 0.00 0.00 59.70 57.67 2k0f h MET 105 Cb 0.07 -0.15 -0.07 0.00 -1.87 0.00 0.00 31.60 29.58 2k0f h MET 105 CO 0.01 0.45 0.33 1.15 1.07 0.00 0.00 176.91 179.91 2k0f h THR 106 N 0.70 0.86 0.00 2.22 2.02 -1.19 0.17 112.91 117.68 2k0f h THR 106 Ca 0.33 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.32 2k0f h THR 106 Cb 0.27 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2k0f h THR 106 CO -0.22 0.11 0.00 0.59 0.37 0.00 0.00 175.52 176.37 2k0f n ASN 107 N -4.87 0.00 0.00 4.18 3.02 -0.86 -3.80 115.26 112.92 2k0f n ASN 107 Ca 0.10 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 2k0f n ASN 107 Cb 0.25 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2k0f n ASN 107 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2k0f n LEU 108 N -1.37 0.33 0.00 3.41 4.77 -0.85 -4.76 117.00 118.53 2k0f n LEU 108 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2k0f n LEU 108 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2k0f n LEU 108 CO 0.17 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 2k0f n GLY 109 N 2.69 0.01 3.65 -0.72 0.00 0.48 -4.90 105.19 106.39 2k0f n GLY 109 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.56 4.16 -0.96 1.61 0.41 -0.58 -4.94 118.70 117.84 2k0f s GLU 110 Ca 0.00 1.26 -0.15 0.00 -0.41 0.00 0.00 54.97 55.67 2k0f s GLU 110 Cb 0.00 -3.70 0.18 0.00 -1.78 0.00 0.00 34.13 28.83 2k0f s GLU 110 CO 0.00 -0.78 1.05 0.21 -0.49 0.00 0.00 175.26 175.25 2k0f s LYS 111 N 3.47 3.74 0.63 1.61 2.20 -1.26 -3.35 119.74 126.77 2k0f s LYS 111 Ca 0.46 -2.27 -0.11 0.00 -0.36 0.00 0.00 55.97 53.69 2k0f s LYS 111 Cb -0.15 -4.74 -0.03 0.00 -1.51 0.00 0.00 37.83 31.40 2k0f s LYS 111 CO 0.12 -1.55 1.03 -0.51 -0.36 0.00 0.00 175.35 174.08 2k0f s LEU 112 N 1.25 3.23 0.53 5.43 1.43 -1.26 -5.10 118.68 124.19 2k0f s LEU 112 Ca 0.29 1.46 0.04 0.00 -1.03 0.00 0.00 54.13 54.89 2k0f s LEU 112 Cb -0.07 -4.48 0.01 0.00 0.03 0.00 0.00 46.19 41.69 2k0f s LEU 112 CO -0.08 -0.95 0.22 0.42 0.23 0.00 0.00 176.35 176.19 2k0f s THR 113 N -3.13 1.46 0.16 5.49 -4.23 -1.26 -4.98 115.64 109.14 2k0f s THR 113 Ca 0.56 -1.72 0.25 0.00 -1.18 0.00 0.00 61.69 59.60 2k0f s THR 113 Cb -0.11 -2.17 0.24 0.00 1.34 0.00 0.00 72.50 71.80 2k0f s THR 113 CO 0.53 0.00 1.85 0.44 -0.54 0.00 0.00 174.62 176.90 2k0f h ASP 114 N 1.03 0.00 0.14 3.99 5.19 -1.99 0.30 116.42 125.09 2k0f h ASP 114 Ca -0.40 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 55.80 2k0f h ASP 114 Cb 1.31 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.84 2k0f h ASP 114 CO 0.65 0.21 -0.95 -0.33 -3.12 0.00 0.00 179.24 175.70 2k0f h GLU 115 N 0.00 0.31 -0.31 3.56 3.07 -2.00 -3.08 114.58 116.13 2k0f h GLU 115 Ca -0.00 -0.52 0.00 0.00 -0.50 0.00 0.00 59.36 58.34 2k0f h GLU 115 Cb 0.70 0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.79 2k0f h GLU 115 CO 0.03 1.25 0.20 1.49 -1.40 0.00 0.00 179.01 180.58 2k0f h GLU 116 N -0.33 0.41 0.00 2.33 4.57 -1.93 -3.23 114.58 116.39 2k0f h GLU 116 Ca -0.17 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 57.85 2k0f h GLU 116 Cb 1.69 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 30.18 2k0f h GLU 116 CO 0.15 0.28 -0.59 -0.24 -1.18 0.00 0.00 179.01 177.42 2k0f h VAL 117 N 0.41 1.27 -0.23 0.32 3.04 -1.02 -3.28 116.25 116.75 2k0f h VAL 117 Ca 0.11 -2.15 0.02 0.00 -1.01 0.00 0.00 66.70 63.67 2k0f h VAL 117 Cb -0.03 2.21 -0.02 0.00 -2.01 0.00 0.00 31.29 31.44 2k0f h VAL 117 CO -0.02 0.58 0.10 -0.78 -1.01 0.00 0.00 177.57 176.44 2k0f h ASP 118 N 0.00 0.14 -0.49 3.17 3.58 -1.55 -1.81 116.42 119.46 2k0f h ASP 118 Ca -0.01 0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.54 2k0f h ASP 118 Cb 1.16 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 42.18 2k0f h ASP 118 CO 0.08 0.11 0.33 -0.33 -2.88 0.00 0.00 179.24 176.55 2k0f h GLU 119 N 0.22 0.32 0.00 0.28 5.08 -1.62 -1.65 114.58 117.22 2k0f h GLU 119 Ca 0.10 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 119 Cb 0.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2k0f h GLU 119 CO -0.08 0.21 -0.48 0.52 -1.00 0.00 0.00 179.01 178.18 2k0f h MET 120 N 0.33 0.00 0.03 2.33 2.86 -1.44 -2.81 114.93 116.23 2k0f h MET 120 Ca 0.22 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2k0f h MET 120 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2k0f h MET 120 CO -0.05 0.48 -0.01 0.82 1.06 0.00 0.00 176.91 179.21 2k0f h ILE 121 N 0.00 1.41 0.00 -1.22 2.04 -1.02 -2.98 117.51 115.74 2k0f h ILE 121 Ca -0.00 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.14 2k0f h ILE 121 Cb 1.13 2.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.71 2k0f h ILE 121 CO 0.06 0.42 0.00 0.03 0.00 0.00 0.00 178.15 178.66 2k0f h ARG 122 N -0.83 0.00 0.03 2.37 3.08 -1.37 0.39 114.38 118.05 2k0f h ARG 122 Ca -0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.76 2k0f h ARG 122 Cb 0.71 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 2k0f h ARG 122 CO 0.01 0.00 -1.54 -1.91 -1.07 0.00 0.00 179.97 175.45 2k0f n GLU 123 N -2.43 0.61 -0.27 0.04 2.13 -1.06 -4.32 120.64 115.33 2k0f n GLU 123 Ca -0.01 0.48 -0.06 0.00 0.66 0.00 0.00 57.16 58.22 2k0f n GLU 123 Cb 0.08 -1.72 0.06 0.00 0.27 0.00 0.00 31.44 30.13 2k0f n GLU 123 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k0f h ALA 124 N -0.39 0.99 -2.26 4.31 0.00 -1.29 -3.42 119.26 117.20 2k0f h ALA 124 Ca -0.40 -0.21 -0.56 0.00 0.00 0.00 0.00 54.91 53.74 2k0f h ALA 124 Cb 1.51 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2k0f h ALA 124 CO -0.16 0.65 0.73 0.34 0.00 0.00 0.00 179.25 180.82 2k0f s ASP 125 N -6.37 7.05 -0.26 0.00 2.15 0.13 -4.74 116.67 114.64 2k0f s ASP 125 Ca -0.12 1.73 -0.15 0.00 0.43 0.00 0.00 52.55 54.44 2k0f s ASP 125 Cb 0.15 -2.55 -0.11 0.00 -0.30 0.00 0.00 42.92 40.11 2k0f s ASP 125 CO 0.84 -0.61 -0.34 -0.38 -0.17 0.00 0.00 175.17 174.51 2k0f n ILE 126 N 4.81 1.52 0.17 4.11 5.41 -1.26 -4.73 119.36 129.39 2k0f n ILE 126 Ca 0.11 -0.29 -0.11 0.00 1.00 0.00 0.00 62.75 63.47 2k0f n ILE 126 Cb 0.46 -1.97 -0.06 0.00 -0.71 0.00 0.00 39.64 37.36 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 -1.00 -0.41 0.00 4.38 3.04 -1.94 -3.48 116.42 117.01 2k0f h ASP 127 Ca -0.58 -0.12 0.00 0.00 -3.24 0.00 0.00 57.03 53.09 2k0f h ASP 127 Cb 1.50 0.11 0.00 0.00 -1.04 0.00 0.00 39.33 39.90 2k0f h ASP 127 CO -0.35 0.04 0.00 0.61 -2.04 0.00 0.00 179.24 177.50 2k0f n GLY 128 N 0.18 0.00 0.08 7.15 0.00 -1.26 -5.05 105.19 106.29 2k0f n GLY 128 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 0.01 0.00 1.61 3.04 -1.96 -3.47 116.42 115.65 2k0f h ASP 129 Ca 0.00 -0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.76 2k0f h ASP 129 Cb 0.00 -0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 129 CO 0.00 1.02 0.00 0.61 -2.04 0.00 0.00 179.24 178.83 2k0f n GLY 130 N 1.51 0.71 3.60 7.15 0.00 -1.26 -5.08 105.19 111.83 2k0f n GLY 130 Ca -0.13 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.52 3.63 -0.26 1.61 -0.21 -1.26 -4.60 119.66 118.05 2k0f s GLN 131 Ca 0.00 -0.41 -0.22 0.00 0.02 0.00 0.00 55.36 54.74 2k0f s GLN 131 Cb 0.00 -3.01 -0.01 0.00 1.00 0.00 0.00 33.01 30.99 2k0f s GLN 131 CO 0.00 0.38 0.73 0.08 -2.12 0.00 0.00 175.29 174.35 2k0f s VAL 132 N 0.04 4.90 0.56 1.09 1.01 -0.53 -4.78 120.40 122.69 2k0f s VAL 132 Ca 0.03 1.29 -0.06 0.00 0.00 0.00 0.00 61.98 63.24 2k0f s VAL 132 Cb -0.13 -4.04 0.12 0.00 0.00 0.00 0.00 36.38 32.34 2k0f s VAL 132 CO 0.02 -0.06 0.77 -0.46 0.00 0.00 0.00 175.10 175.37 2k0f n ASN 133 N 5.90 0.42 0.01 3.32 0.23 -1.26 -0.70 115.26 123.18 2k0f n ASN 133 Ca 0.02 -1.50 -0.19 0.00 -0.53 0.00 0.00 54.58 52.39 2k0f n ASN 133 Cb 0.48 -0.55 -0.09 0.00 -2.08 0.00 0.00 39.78 37.54 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 -1.07 1.00 -0.32 -2.53 3.20 -1.98 -1.45 116.97 113.82 2k0f h TYR 134 Ca -0.25 -0.50 0.06 0.00 3.14 0.00 0.00 58.73 61.18 2k0f h TYR 134 Cb 0.78 -0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.83 2k0f h TYR 134 CO 0.00 1.33 -0.44 0.93 -1.64 0.00 0.00 178.16 178.33 2k0f h GLU 135 N 0.39 -0.38 0.00 1.82 5.08 -1.95 -1.33 114.58 118.21 2k0f h GLU 135 Ca -0.09 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 135 Cb 1.51 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.85 2k0f h GLU 135 CO 0.17 -0.25 -0.01 0.93 -1.00 0.00 0.00 179.01 178.85 2k0f h GLU 136 N -0.39 0.00 0.00 2.33 5.08 -1.77 -2.41 114.58 117.42 2k0f h GLU 136 Ca 0.11 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.28 2k0f h GLU 136 Cb 0.60 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2k0f h GLU 136 CO -0.52 0.01 -1.03 0.35 -1.00 0.00 0.00 179.01 176.81 2k0f h PHE 137 N 0.00 0.00 0.00 4.33 3.04 -0.62 -2.65 116.94 121.04 2k0f h PHE 137 Ca -0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 2k0f h PHE 137 Cb 0.06 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.57 2k0f h PHE 137 CO 0.00 0.82 -0.01 0.28 -2.02 0.00 0.00 178.31 177.38 2k0f h VAL 138 N 0.00 1.72 -0.56 1.41 2.07 -0.83 -2.90 116.25 117.16 2k0f h VAL 138 Ca -0.07 -2.12 -0.00 0.00 0.82 0.00 0.00 66.70 65.32 2k0f h VAL 138 Cb 1.69 3.16 -0.03 0.00 -1.52 0.00 0.00 31.29 34.59 2k0f h VAL 138 CO 0.10 0.55 0.34 1.56 0.02 0.00 0.00 177.57 180.13 2k0f h GLN 139 N -0.89 0.76 -0.26 1.57 4.20 -1.57 -0.59 115.11 118.32 2k0f h GLN 139 Ca -0.00 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.68 2k0f h GLN 139 Cb 0.91 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.50 2k0f h GLN 139 CO 0.00 0.53 0.04 1.98 -0.67 0.00 0.00 178.83 180.71 2k0f h MET 140 N 0.77 0.13 0.00 1.46 4.05 -1.48 -3.34 114.93 116.52 2k0f h MET 140 Ca 0.20 -0.01 -0.27 0.00 -0.28 0.00 0.00 59.70 59.35 2k0f h MET 140 Cb -0.03 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.70 2k0f h MET 140 CO -0.04 0.08 -1.56 0.52 0.23 0.00 0.00 176.91 176.14 2k0f h MET 141 N 0.13 0.00 0.00 0.39 2.86 -1.24 -3.51 114.93 113.55 2k0f h MET 141 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2k0f h MET 141 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 2k0f h MET 141 CO -0.17 0.54 0.00 0.25 1.06 0.00 0.00 176.91 178.59