#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 0.00 -0.16 -0.78 4.39 -2.05 -1.27 114.58 114.71 2k0f h GLU 2 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2k0f h GLU 2 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2k0f h GLU 2 CO 0.00 0.08 -0.39 0.93 -1.16 0.00 0.00 179.01 178.48 2k0f h GLU 3 N 0.00 0.36 -0.09 2.33 5.08 -2.05 -0.04 114.58 120.17 2k0f h GLU 3 Ca -0.00 -0.17 -0.24 0.00 -1.00 0.00 0.00 59.36 57.95 2k0f h GLU 3 Cb 0.16 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.42 2k0f h GLU 3 CO 0.01 0.69 -0.88 1.96 -1.00 0.00 0.00 179.01 179.79 2k0f h GLN 4 N 0.30 0.74 -0.57 2.33 4.20 -1.68 -1.02 115.11 119.41 2k0f h GLN 4 Ca 0.03 -0.68 -0.06 0.00 0.06 0.00 0.00 58.65 58.00 2k0f h GLN 4 Cb 0.82 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.74 2k0f h GLN 4 CO 0.07 1.27 0.13 0.82 -0.67 0.00 0.00 178.83 180.45 2k0f h ILE 5 N 0.48 1.24 -0.45 2.54 1.08 -1.21 -0.20 117.51 120.98 2k0f h ILE 5 Ca -0.08 -0.87 -0.07 0.00 -0.39 0.00 0.00 64.86 63.45 2k0f h ILE 5 Cb 1.52 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 35.91 2k0f h ILE 5 CO 0.18 0.32 0.01 0.00 -0.69 0.00 0.00 178.15 177.97 2k0f h ALA 6 N 1.28 1.17 -0.58 1.87 0.00 -0.88 0.18 119.26 122.32 2k0f h ALA 6 Ca 0.18 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2k0f h ALA 6 Cb 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2k0f h ALA 6 CO 0.00 0.54 -0.07 1.49 0.00 0.00 0.00 179.25 181.22 2k0f h GLU 7 N 0.69 1.06 -0.20 0.00 4.81 -0.63 0.17 114.58 120.48 2k0f h GLU 7 Ca 0.14 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2k0f h GLU 7 Cb 0.41 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2k0f h GLU 7 CO 0.02 1.07 0.13 0.74 -0.73 0.00 0.00 179.01 180.24 2k0f h PHE 8 N 0.95 0.26 -0.11 0.92 0.04 -0.82 -2.52 116.94 115.66 2k0f h PHE 8 Ca 0.16 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.96 2k0f h PHE 8 Cb 0.64 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 2k0f h PHE 8 CO 0.04 0.18 -0.06 -0.22 -0.60 0.00 0.00 178.31 177.66 2k0f h LYS 9 N 0.26 -0.04 -0.79 1.51 3.64 -0.31 -2.16 116.57 118.68 2k0f h LYS 9 Ca 0.07 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.61 2k0f h LYS 9 Cb -0.01 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 31.72 2k0f h LYS 9 CO -0.01 -0.03 0.33 0.93 -2.27 0.00 0.00 179.45 178.40 2k0f h GLU 10 N -0.04 0.45 0.00 1.90 4.39 -0.72 -0.18 114.58 120.38 2k0f h GLU 10 Ca 0.06 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2k0f h GLU 10 Cb 0.14 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2k0f h GLU 10 CO -0.14 0.30 -0.01 0.00 -1.16 0.00 0.00 179.01 178.00 2k0f h ALA 11 N 1.57 1.19 0.10 3.43 0.00 -1.22 -2.90 119.26 121.43 2k0f h ALA 11 Ca 0.44 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 55.04 2k0f h ALA 11 Cb 0.69 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2k0f h ALA 11 CO -0.42 0.01 -1.60 0.35 0.00 0.00 0.00 179.25 177.59 2k0f h PHE 12 N 0.00 0.38 -0.63 0.00 3.57 -0.37 -3.36 116.94 116.54 2k0f h PHE 12 Ca -0.00 -0.28 0.15 0.00 3.53 0.00 0.00 57.97 61.37 2k0f h PHE 12 Cb 0.04 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 2k0f h PHE 12 CO 0.00 1.37 0.43 0.77 -2.23 0.00 0.00 178.31 178.65 2k0f h SER 13 N 0.06 0.17 -0.84 0.41 0.02 -1.28 -1.21 113.55 110.87 2k0f h SER 13 Ca -0.26 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 60.77 2k0f h SER 13 Cb 2.01 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 64.47 2k0f h SER 13 CO 0.14 0.09 0.55 -0.07 -1.14 0.00 0.00 176.83 176.40 2k0f h LEU 14 N 0.18 0.78 -0.19 5.07 3.38 -1.70 -2.84 115.31 119.99 2k0f h LEU 14 Ca 0.30 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.17 2k0f h LEU 14 Cb 0.93 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2k0f h LEU 14 CO -0.05 0.49 -0.32 -0.26 0.09 0.00 0.00 178.44 178.38 2k0f h PHE 15 N 0.88 0.70 -2.58 1.13 -1.00 -1.44 -3.44 116.94 111.18 2k0f h PHE 15 Ca 0.37 -0.24 -0.62 0.00 2.81 0.00 0.00 57.97 60.29 2k0f h PHE 15 Cb 0.31 -0.13 -0.14 0.00 3.61 0.00 0.00 35.95 39.60 2k0f h PHE 15 CO -0.00 0.97 0.63 0.34 -1.61 0.00 0.00 178.31 178.64 2k0f s ASP 16 N -6.49 6.20 0.09 2.17 2.15 -0.97 -4.71 116.67 115.11 2k0f s ASP 16 Ca -0.13 -1.00 0.26 0.00 0.43 0.00 0.00 52.55 52.11 2k0f s ASP 16 Cb 0.07 -2.44 0.67 0.00 -0.30 0.00 0.00 42.92 40.92 2k0f s ASP 16 CO 0.81 -1.47 1.57 0.29 -0.17 0.00 0.00 175.17 176.20 2k0f n LYS 17 N 7.85 0.17 -0.06 4.34 4.76 -1.26 -3.22 118.16 130.74 2k0f n LYS 17 Ca -0.01 0.08 -0.07 0.00 -2.87 0.00 0.00 58.31 55.45 2k0f n LYS 17 Cb 0.46 -1.64 -0.08 0.00 -1.84 0.00 0.00 35.03 31.93 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 -1.91 2.38 -0.34 4.39 5.68 -1.26 -5.03 116.55 120.46 2k0f n ASP 18 Ca 0.05 -0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 2k0f n ASP 18 Cb 0.40 0.54 0.00 0.00 -1.14 0.00 0.00 41.12 40.92 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 2.42 0.95 0.11 6.12 0.00 -1.20 -4.99 105.19 108.60 2k0f n GLY 19 Ca -0.20 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 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 0.88 1.44 0.00 1.61 5.68 -1.26 -4.99 116.55 119.91 2k0f n ASP 20 Ca 0.00 0.29 0.00 0.00 -0.50 0.00 0.00 54.79 54.58 2k0f n ASP 20 Cb 0.32 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 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 1.79 0.83 2.97 6.12 0.00 -1.26 -5.13 105.19 110.50 2k0f n GLY 21 Ca -0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.60 0.25 -0.12 2.61 -4.23 -1.26 -2.96 115.64 109.33 2k0f s THR 22 Ca 0.00 -0.58 -0.22 0.00 -1.18 0.00 0.00 61.69 59.71 2k0f s THR 22 Cb 0.00 -0.30 -0.03 0.00 1.34 0.00 0.00 72.50 73.51 2k0f s THR 22 CO 0.00 -0.22 0.66 -0.63 -0.54 0.00 0.00 174.62 173.90 2k0f s ILE 23 N -0.79 5.04 0.40 2.99 1.01 0.17 -4.81 121.20 125.22 2k0f s ILE 23 Ca -0.07 1.33 0.07 0.00 0.00 0.00 0.00 60.65 61.98 2k0f s ILE 23 Cb -0.06 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.42 2k0f s ILE 23 CO -0.00 0.20 0.55 0.42 0.00 0.00 0.00 174.94 176.12 2k0f s THR 24 N 1.20 3.29 0.42 2.92 -4.23 -1.26 -1.82 115.64 116.15 2k0f s THR 24 Ca 0.34 -0.97 0.21 0.00 -1.18 0.00 0.00 61.69 60.09 2k0f s THR 24 Cb -0.17 -3.12 0.23 0.00 1.34 0.00 0.00 72.50 70.79 2k0f s THR 24 CO 0.14 -0.05 2.01 0.71 -0.54 0.00 0.00 174.62 176.90 2k0f h THR 25 N 0.68 0.83 0.32 3.99 1.35 -1.94 -2.51 112.91 115.63 2k0f h THR 25 Ca -0.42 -0.66 -0.02 0.00 -0.55 0.00 0.00 66.41 64.77 2k0f h THR 25 Cb 1.27 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 2k0f h THR 25 CO 0.48 0.17 -0.16 0.11 -0.25 0.00 0.00 175.52 175.87 2k0f h LYS 26 N 0.00 -0.42 0.00 4.72 1.79 -1.98 0.57 116.57 121.25 2k0f h LYS 26 Ca -0.00 0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.41 2k0f h LYS 26 Cb 0.37 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 2k0f h LYS 26 CO 0.02 -0.12 -0.40 0.93 -1.08 0.00 0.00 179.45 178.81 2k0f h GLU 27 N -0.73 0.00 0.16 3.15 5.08 -1.86 -1.91 114.58 118.47 2k0f h GLU 27 Ca -0.04 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.01 2k0f h GLU 27 Cb 0.49 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.77 2k0f h GLU 27 CO 0.07 0.40 -1.30 1.25 -1.00 0.00 0.00 179.01 178.43 2k0f h LEU 28 N 0.00 0.78 -1.05 1.33 5.85 -1.46 -2.41 115.31 118.36 2k0f h LEU 28 Ca -0.00 -0.77 0.21 0.00 0.84 0.00 0.00 57.88 58.16 2k0f h LEU 28 Cb 0.90 -0.25 -0.11 0.00 0.37 0.00 0.00 40.66 41.57 2k0f h LEU 28 CO 0.05 1.58 0.61 1.23 -0.34 0.00 0.00 178.44 181.57 2k0f h GLY 29 N 0.52 1.76 0.92 3.75 0.00 -0.53 0.60 103.07 110.09 2k0f h GLY 29 Ca -0.20 -0.33 0.02 0.00 0.00 0.00 0.00 47.33 46.82 2k0f h GLY 29 CO 0.24 -0.12 0.36 -0.84 0.00 0.00 0.00 176.54 176.18 2k0f h THR 30 N 0.68 1.10 -0.26 4.70 2.02 -1.35 -1.55 112.91 118.24 2k0f h THR 30 Ca 0.60 -0.25 -0.15 0.00 0.77 0.00 0.00 66.41 67.38 2k0f h THR 30 Cb 1.04 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 2k0f h THR 30 CO -0.40 0.13 -0.44 0.58 0.37 0.00 0.00 175.52 175.76 2k0f h VAL 31 N 0.71 1.30 0.36 3.16 2.07 -0.73 -1.87 116.25 121.25 2k0f h VAL 31 Ca 0.22 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 2k0f h VAL 31 Cb -0.02 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2k0f h VAL 31 CO -0.08 0.52 -0.34 0.24 0.02 0.00 0.00 177.57 177.94 2k0f h MET 32 N 0.54 -0.66 0.00 1.57 2.86 -0.84 -3.08 114.93 115.31 2k0f h MET 32 Ca 0.04 0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2k0f h MET 32 Cb 0.98 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 2k0f h MET 32 CO 0.09 -0.44 -0.10 0.00 1.06 0.00 0.00 176.91 177.52 2k0f h ARG 33 N -0.69 0.00 0.00 1.72 3.08 -0.65 0.07 114.38 117.91 2k0f h ARG 33 Ca -0.05 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.82 2k0f h ARG 33 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 2k0f h ARG 33 CO -0.03 0.10 -0.84 0.77 -1.07 0.00 0.00 179.97 178.90 2k0f h SER 34 N 0.00 0.09 0.11 7.04 0.02 -1.39 -3.34 113.55 116.07 2k0f h SER 34 Ca -0.00 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2k0f h SER 34 Cb 0.68 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2k0f h SER 34 CO 0.01 0.88 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.46 2k0f h LEU 35 N 0.04 -0.12 0.00 5.07 3.38 -1.33 -3.46 115.31 118.88 2k0f h LEU 35 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k0f h LEU 35 Cb 1.47 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2k0f h LEU 35 CO 0.12 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.41 2k0f n GLY 36 N 1.29 0.00 2.93 0.83 0.00 -0.09 -5.12 105.19 105.03 2k0f n GLY 36 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 0.00 0.09 -0.55 1.61 -0.21 -0.56 -4.98 119.66 115.07 2k0f s GLN 37 Ca 0.00 0.27 0.04 0.00 0.02 0.00 0.00 55.36 55.69 2k0f s GLN 37 Cb 0.00 -0.09 0.16 0.00 1.00 0.00 0.00 33.01 34.08 2k0f s GLN 37 CO 0.00 -0.11 0.39 1.21 -2.12 0.00 0.00 175.29 174.67 2k0f s ASN 38 N 0.73 3.35 0.67 5.90 2.47 -1.26 -2.01 114.94 124.79 2k0f s ASN 38 Ca -0.06 -3.36 -0.13 0.00 0.42 0.00 0.00 52.86 49.74 2k0f s ASN 38 Cb -0.08 -1.09 0.00 0.00 -1.45 0.00 0.00 41.25 38.64 2k0f s ASN 38 CO -0.03 -0.15 1.07 -2.16 -3.72 0.00 0.00 177.10 172.11 2k0f s PRO 39 N -0.59 2.92 0.86 0.43 0.04 -1.26 -5.08 135.00 132.32 2k0f s PRO 39 Ca 0.27 1.13 -0.13 0.00 0.04 0.00 0.00 61.00 62.31 2k0f s PRO 39 Cb -0.05 -1.98 0.11 0.00 0.04 0.00 0.00 34.50 32.63 2k0f s PRO 39 CO -0.15 -1.12 1.19 0.95 0.04 0.00 0.00 177.00 177.91 2k0f s THR 40 N -2.73 1.99 -0.22 1.26 -4.23 -1.26 -4.95 115.64 105.50 2k0f s THR 40 Ca 0.62 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 61.34 2k0f s THR 40 Cb -0.16 -2.94 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 2k0f s THR 40 CO 0.47 0.00 1.03 -0.33 -0.54 0.00 0.00 174.62 175.25 2k0f h GLU 41 N -1.27 0.00 -0.21 3.99 5.08 -1.98 -2.85 114.58 117.35 2k0f h GLU 41 Ca -0.47 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 2k0f h GLU 41 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 2k0f h GLU 41 CO 0.60 0.04 0.08 0.00 -1.00 0.00 0.00 179.01 178.73 2k0f h ALA 42 N 1.92 0.27 -0.33 3.43 0.00 -1.99 -0.65 119.26 121.91 2k0f h ALA 42 Ca -0.02 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.84 2k0f h ALA 42 Cb 1.08 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 2k0f h ALA 42 CO 0.01 -0.13 -0.19 0.93 0.00 0.00 0.00 179.25 179.87 2k0f h GLU 43 N 0.18 -0.14 -0.02 0.00 5.08 -1.95 0.19 114.58 117.91 2k0f h GLU 43 Ca 0.07 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2k0f h GLU 43 Cb 0.19 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2k0f h GLU 43 CO -0.00 -0.09 -0.24 -0.07 -1.00 0.00 0.00 179.01 177.61 2k0f h LEU 44 N -0.14 0.04 -0.35 1.33 3.38 -1.38 0.19 115.31 118.37 2k0f h LEU 44 Ca 0.17 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 2k0f h LEU 44 Cb 0.40 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2k0f h LEU 44 CO -0.42 0.28 -0.33 -0.61 0.09 0.00 0.00 178.44 177.44 2k0f h GLN 45 N 0.04 0.84 -0.71 1.13 4.15 -0.84 -2.24 115.11 117.48 2k0f h GLN 45 Ca 0.00 -0.44 0.06 0.00 0.77 0.00 0.00 58.65 59.05 2k0f h GLN 45 Cb 0.44 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.09 2k0f h GLN 45 CO 0.03 1.08 0.40 0.22 -1.93 0.00 0.00 178.83 178.63 2k0f h ASP 46 N 0.63 0.59 -0.69 -0.69 3.58 0.86 0.10 116.42 120.80 2k0f h ASP 46 Ca 0.06 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 2k0f h ASP 46 Cb 0.92 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.85 2k0f h ASP 46 CO 0.08 0.37 0.23 0.24 -2.88 0.00 0.00 179.24 177.29 2k0f h MET 47 N 0.72 1.08 0.01 0.28 2.86 -0.66 -2.87 114.93 116.35 2k0f h MET 47 Ca 0.32 -0.22 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2k0f h MET 47 Cb 0.21 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2k0f h MET 47 CO -0.19 0.91 -0.04 0.82 1.06 0.00 0.00 176.91 179.47 2k0f h ILE 48 N 1.04 0.90 -0.97 -1.22 2.04 -0.64 -3.31 117.51 115.35 2k0f h ILE 48 Ca 0.23 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.33 2k0f h ILE 48 Cb 0.27 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 2k0f h ILE 48 CO -0.01 0.00 0.65 0.78 0.00 0.00 0.00 178.15 179.57 2k0f h ASN 49 N -0.07 0.35 0.24 1.72 2.35 -0.78 -0.99 115.58 118.40 2k0f h ASN 49 Ca 0.01 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2k0f h ASN 49 Cb 0.09 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 2k0f h ASN 49 CO -0.03 0.11 -0.50 -0.08 -1.65 0.00 0.00 177.43 175.28 2k0f h GLU 50 N 0.33 -0.78 0.00 0.81 4.57 -1.65 -3.28 114.58 114.58 2k0f h GLU 50 Ca 0.51 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.75 2k0f h GLU 50 Cb 1.42 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 30.19 2k0f h GLU 50 CO -0.19 -0.52 -0.50 -0.39 -1.18 0.00 0.00 179.01 176.23 2k0f h VAL 51 N -0.81 0.00 -2.56 0.32 -1.51 -1.45 -3.46 116.25 106.79 2k0f h VAL 51 Ca -0.02 -0.68 -0.54 0.00 -1.23 0.00 0.00 66.70 64.23 2k0f h VAL 51 Cb 0.78 1.39 -0.00 0.00 -2.13 0.00 0.00 31.29 31.33 2k0f h VAL 51 CO -0.21 0.00 1.12 -0.62 -1.23 0.00 0.00 177.57 176.63 2k0f s ASP 52 N -4.85 6.61 0.22 4.19 -1.08 -0.48 -4.85 116.67 116.44 2k0f s ASP 52 Ca 0.06 2.35 0.01 0.00 -0.52 0.00 0.00 52.55 54.44 2k0f s ASP 52 Cb 0.11 -2.53 0.22 0.00 -1.46 0.00 0.00 42.92 39.25 2k0f s ASP 52 CO 0.71 -0.95 1.56 0.00 0.52 0.00 0.00 175.17 177.00 2k0f h ALA 53 N 9.73 0.82 0.43 3.66 0.00 -1.89 -3.29 119.26 128.73 2k0f h ALA 53 Ca -0.42 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 53.98 2k0f h ALA 53 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2k0f h ALA 53 CO 0.95 0.68 -0.21 -0.44 0.00 0.00 0.00 179.25 180.23 2k0f h ASP 54 N 0.33 -0.49 0.00 0.00 3.32 -1.94 -3.48 116.42 114.16 2k0f h ASP 54 Ca 0.01 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2k0f h ASP 54 Cb 1.02 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2k0f h ASP 54 CO 0.09 -0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 2k0f n GLY 55 N 0.10 1.05 0.16 2.75 0.00 -1.24 -5.04 105.19 102.97 2k0f n GLY 55 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.06 2k0f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 56 N 0.00 0.00 0.00 1.61 -1.07 -1.93 -3.48 115.58 110.72 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 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 2k0f n GLY 57 N 1.12 0.99 3.02 9.14 0.00 -1.26 -5.08 105.19 113.12 2k0f n GLY 57 Ca 0.05 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 0.95 -0.33 2.61 -4.23 -1.26 -4.74 115.64 106.63 2k0f s THR 58 Ca 0.00 -0.43 -0.21 0.00 -1.18 0.00 0.00 61.69 59.87 2k0f s THR 58 Cb 0.00 -0.84 -0.00 0.00 1.34 0.00 0.00 72.50 73.00 2k0f s THR 58 CO 0.00 0.29 0.66 -0.51 -0.54 0.00 0.00 174.62 174.52 2k0f s ILE 59 N 0.27 4.89 0.81 2.99 2.07 -0.75 -4.91 121.20 126.57 2k0f s ILE 59 Ca -0.05 0.77 -0.12 0.00 -1.41 0.00 0.00 60.65 59.84 2k0f s ILE 59 Cb -0.11 -4.06 0.08 0.00 0.13 0.00 0.00 42.46 38.50 2k0f s ILE 59 CO 0.01 -0.25 1.13 -1.81 -1.91 0.00 0.00 174.94 172.11 2k0f s ASP 60 N 1.72 4.42 0.07 4.50 1.11 -1.26 0.43 116.67 127.66 2k0f s ASP 60 Ca 0.26 1.06 -0.22 0.00 0.18 0.00 0.00 52.55 53.83 2k0f s ASP 60 Cb -0.14 -1.71 -0.13 0.00 1.07 0.00 0.00 42.92 42.01 2k0f s ASP 60 CO 0.14 -1.98 1.60 0.15 1.18 0.00 0.00 175.17 176.25 2k0f h PHE 61 N -1.10 0.15 -0.65 4.23 3.57 -1.94 -2.04 116.94 119.16 2k0f h PHE 61 Ca -0.47 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.17 2k0f h PHE 61 Cb 1.30 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 2k0f h PHE 61 CO 0.39 0.27 0.45 -1.35 -2.23 0.00 0.00 178.31 175.84 2k0f h PRO 62 N -0.01 0.17 0.07 6.41 0.11 -1.96 -0.35 132.00 136.44 2k0f h PRO 62 Ca 0.03 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.03 2k0f h PRO 62 Cb 0.18 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.26 2k0f h PRO 62 CO -0.00 0.11 -0.49 0.93 -0.21 0.00 0.00 178.00 178.34 2k0f h GLU 63 N 0.18 0.14 -0.79 1.05 5.08 -1.84 -1.68 114.58 116.72 2k0f h GLU 63 Ca 0.31 -0.25 0.19 0.00 -1.00 0.00 0.00 59.36 58.61 2k0f h GLU 63 Cb 0.98 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 30.20 2k0f h GLU 63 CO -0.05 1.12 0.18 0.35 -1.00 0.00 0.00 179.01 179.61 2k0f h PHE 64 N -0.69 0.27 -0.52 4.33 3.04 -1.20 0.15 116.94 122.32 2k0f h PHE 64 Ca -0.09 0.05 0.05 0.00 3.98 0.00 0.00 57.97 61.95 2k0f h PHE 64 Cb 1.34 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.80 2k0f h PHE 64 CO 0.23 -0.14 0.27 1.25 -2.02 0.00 0.00 178.31 177.90 2k0f h LEU 65 N 0.24 0.39 0.00 0.59 5.85 -1.05 -2.11 115.31 119.22 2k0f h LEU 65 Ca 0.46 0.03 -0.21 0.00 0.84 0.00 0.00 57.88 59.01 2k0f h LEU 65 Cb 0.85 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 2k0f h LEU 65 CO -0.58 0.27 -1.03 0.74 -0.34 0.00 0.00 178.44 177.50 2k0f h THR 66 N 0.52 1.50 0.32 1.05 2.02 -1.07 -0.40 112.91 116.85 2k0f h THR 66 Ca 0.23 -3.18 -0.00 0.00 0.77 0.00 0.00 66.41 64.23 2k0f h THR 66 Cb 0.14 2.73 -0.03 0.00 -1.74 0.00 0.00 68.15 69.26 2k0f h THR 66 CO -0.16 0.85 -0.44 -0.03 0.37 0.00 0.00 175.52 176.12 2k0f h MET 67 N 0.00 -0.76 0.07 6.66 1.85 -0.71 -3.28 114.93 118.76 2k0f h MET 67 Ca -0.04 0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.10 2k0f h MET 67 Cb 1.75 0.17 0.00 0.00 0.43 0.00 0.00 31.60 33.95 2k0f h MET 67 CO 0.11 -0.51 -0.03 0.52 -0.40 0.00 0.00 176.91 176.61 2k0f h MET 68 N -0.79 -0.09 0.00 0.39 2.07 -1.41 -3.37 114.93 111.74 2k0f h MET 68 Ca -0.04 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 2k0f h MET 68 Cb 0.71 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.46 2k0f h MET 68 CO -0.12 0.35 0.00 0.00 1.07 0.00 0.00 176.91 178.21 2k0f h ALA 69 N 0.34 1.00 -2.05 6.32 0.00 -1.21 -3.42 119.26 120.24 2k0f h ALA 69 Ca -0.01 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.28 2k0f h ALA 69 Cb 0.47 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.30 2k0f h ALA 69 CO 0.01 0.00 0.87 -2.13 0.00 0.00 0.00 179.25 178.01 2k0f n ARG 70 N -2.55 1.95 -3.04 0.00 0.63 -1.23 -4.98 116.66 107.43 2k0f n ARG 70 Ca 0.03 0.71 -0.41 0.00 -0.92 0.00 0.00 57.85 57.26 2k0f n ARG 70 Cb 0.37 -2.48 -0.06 0.00 0.45 0.00 0.00 32.46 30.74 2k0f n ARG 70 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2k0f s LYS 71 N 2.22 3.91 0.26 -0.14 2.20 -1.26 -5.03 119.74 121.90 2k0f s LYS 71 Ca 0.86 0.40 0.02 0.00 -0.36 0.00 0.00 55.97 56.90 2k0f s LYS 71 Cb -0.75 -3.73 0.02 0.00 -1.51 0.00 0.00 37.83 31.86 2k0f s LYS 71 CO 0.46 -0.63 0.21 0.00 -0.36 0.00 0.00 175.35 175.03 2k0f n MET 72 N 6.03 1.09 -1.54 4.03 0.00 -1.26 -5.08 117.12 120.39 2k0f n MET 72 Ca 0.01 -1.60 -0.37 0.00 0.00 0.00 0.00 57.70 55.74 2k0f n MET 72 Cb 0.48 0.15 0.07 0.00 0.00 0.00 0.00 33.22 33.93 2k0f n MET 72 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2k0f n LYS 73 N -1.14 0.78 -0.22 3.17 5.02 -1.26 -4.71 118.16 119.79 2k0f n LYS 73 Ca -0.00 0.32 -0.01 0.00 -2.02 0.00 0.00 58.31 56.60 2k0f n LYS 73 Cb 0.29 -2.30 0.11 0.00 -0.02 0.00 0.00 35.03 33.11 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2k0f h ASP 74 N 0.17 0.46 -0.33 4.39 3.32 -1.98 0.26 116.42 122.71 2k0f h ASP 74 Ca -0.49 0.04 0.07 0.00 0.02 0.00 0.00 57.03 56.68 2k0f h ASP 74 Cb 1.35 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.79 2k0f h ASP 74 CO 0.50 0.29 -0.10 0.71 -1.72 0.00 0.00 179.24 178.92 2k0f h THR 75 N 0.61 0.63 0.00 0.35 1.35 -1.99 0.35 112.91 114.20 2k0f h THR 75 Ca 0.31 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 66.05 2k0f h THR 75 Cb 0.26 0.63 -0.02 0.00 -1.73 0.00 0.00 68.15 67.29 2k0f h THR 75 CO -0.22 0.00 -0.55 0.44 -0.25 0.00 0.00 175.52 174.94 2k0f h ASP 76 N -0.03 0.00 1.70 5.36 3.32 -1.59 -1.82 116.42 123.36 2k0f h ASP 76 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2k0f h ASP 76 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2k0f h ASP 76 CO -0.36 0.55 0.00 0.28 -1.72 0.00 0.00 179.24 177.99 2k0f h SER 77 N 0.00 0.00 0.08 6.45 0.02 0.18 0.97 113.55 121.25 2k0f h SER 77 Ca -0.01 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2k0f h SER 77 Cb 1.05 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.61 2k0f h SER 77 CO 0.07 0.00 -0.66 -0.08 -1.14 0.00 0.00 176.83 175.02 2k0f h GLU 78 N 0.00 0.30 0.00 3.45 4.81 -0.18 -3.39 114.58 119.57 2k0f h GLU 78 Ca 0.00 -0.43 -0.09 0.00 -0.13 0.00 0.00 59.36 58.71 2k0f h GLU 78 Cb 0.85 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 2k0f h GLU 78 CO 0.00 1.17 -0.43 1.49 -0.73 0.00 0.00 179.01 180.51 2k0f h GLU 79 N -0.36 0.00 -0.90 1.92 4.81 -1.09 -1.35 114.58 117.61 2k0f h GLU 79 Ca -0.11 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.34 2k0f h GLU 79 Cb 1.47 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.68 2k0f h GLU 79 CO 0.13 0.43 -0.09 -1.91 -0.73 0.00 0.00 179.01 176.84 2k0f n GLU 80 N -3.33 -0.08 0.08 1.92 2.13 0.31 -0.99 120.64 120.69 2k0f n GLU 80 Ca 0.01 1.38 -0.22 0.00 0.66 0.00 0.00 57.16 58.98 2k0f n GLU 80 Cb 0.63 -2.13 -0.15 0.00 0.27 0.00 0.00 31.44 30.06 2k0f n GLU 80 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2k0f h ILE 81 N 0.00 1.31 -0.30 6.31 2.04 -1.44 -2.22 117.51 123.21 2k0f h ILE 81 Ca 0.50 -2.57 0.06 0.00 1.00 0.00 0.00 64.86 63.85 2k0f h ILE 81 Cb 0.93 3.04 -0.08 0.00 -0.74 0.00 0.00 36.82 39.96 2k0f h ILE 81 CO -0.88 0.76 -0.38 0.03 0.00 0.00 0.00 178.15 177.68 2k0f h ARG 82 N -0.14 -0.34 -0.87 2.37 3.08 -1.40 0.33 114.38 117.40 2k0f h ARG 82 Ca -0.23 0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.05 2k0f h ARG 82 Cb 1.89 0.08 -0.12 0.00 0.08 0.00 0.00 29.97 31.90 2k0f h ARG 82 CO 0.18 -0.23 0.38 1.49 -1.07 0.00 0.00 179.97 180.73 2k0f h GLU 83 N -0.35 0.42 0.00 0.04 4.57 -1.13 -2.97 114.58 115.16 2k0f h GLU 83 Ca 0.13 -0.03 -0.22 0.00 -1.18 0.00 0.00 59.36 58.06 2k0f h GLU 83 Cb 0.58 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.03 2k0f h GLU 83 CO -0.49 0.28 -1.27 0.00 -1.18 0.00 0.00 179.01 176.35 2k0f h ALA 84 N 1.67 0.59 0.00 2.92 0.00 -0.48 -2.30 119.26 121.67 2k0f h ALA 84 Ca 0.53 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2k0f h ALA 84 Cb 0.95 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2k0f h ALA 84 CO -0.49 1.26 0.00 0.35 0.00 0.00 0.00 179.25 180.37 2k0f h PHE 85 N 0.00 0.00 0.00 0.00 3.57 -0.40 -2.58 116.94 117.53 2k0f h PHE 85 Ca -0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.36 2k0f h PHE 85 Cb 1.79 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.53 2k0f h PHE 85 CO 0.00 0.00 0.00 -0.09 -2.23 0.00 0.00 178.31 175.99 2k0f h ARG 86 N 0.00 0.00 0.10 1.11 2.43 -1.24 -0.19 114.38 116.59 2k0f h ARG 86 Ca 0.00 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.98 2k0f h ARG 86 Cb 0.33 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2k0f h ARG 86 CO 0.00 0.00 -0.90 0.28 -1.51 0.00 0.00 179.97 177.84 2k0f h VAL 87 N 0.00 1.37 -0.14 0.20 2.07 -1.51 -3.39 116.25 114.85 2k0f h VAL 87 Ca 0.00 -2.44 -0.06 0.00 0.82 0.00 0.00 66.70 65.02 2k0f h VAL 87 Cb 0.81 3.02 -0.00 0.00 -1.52 0.00 0.00 31.29 33.60 2k0f h VAL 87 CO 0.00 0.67 -0.13 -0.26 0.02 0.00 0.00 177.57 177.87 2k0f h PHE 88 N -0.50 0.40 -3.26 1.57 0.04 -1.41 -3.38 116.94 110.40 2k0f h PHE 88 Ca -0.18 -0.12 -0.66 0.00 2.80 0.00 0.00 57.97 59.81 2k0f h PHE 88 Cb 1.55 -0.09 -0.16 0.00 2.20 0.00 0.00 35.95 39.46 2k0f h PHE 88 CO 0.18 0.73 0.20 0.34 -0.60 0.00 0.00 178.31 179.16 2k0f s ASP 89 N -6.09 6.26 -0.03 2.17 2.15 -0.09 -4.72 116.67 116.32 2k0f s ASP 89 Ca -0.14 -0.72 -0.13 0.00 0.43 0.00 0.00 52.55 51.99 2k0f s ASP 89 Cb 0.05 -2.33 -0.07 0.00 -0.30 0.00 0.00 42.92 40.26 2k0f s ASP 89 CO 0.75 -0.98 0.60 0.50 -0.17 0.00 0.00 175.17 175.87 2k0f h LYS 90 N 9.08 -0.46 -0.16 4.34 3.11 -1.80 -3.37 116.57 127.30 2k0f h LYS 90 Ca -0.27 0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.57 2k0f h LYS 90 Cb 1.09 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.42 2k0f h LYS 90 CO 0.99 -0.31 -0.04 0.38 -2.81 0.00 0.00 179.45 177.67 2k0f h ASP 91 N -1.00 0.32 0.00 4.20 3.04 -1.92 -3.48 116.42 117.58 2k0f h ASP 91 Ca -0.05 -0.37 0.00 0.00 -3.24 0.00 0.00 57.03 53.37 2k0f h ASP 91 Cb 0.37 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 38.57 2k0f h ASP 91 CO 0.08 0.61 0.00 0.61 -2.04 0.00 0.00 179.24 178.50 2k0f n GLY 92 N -0.13 1.29 0.00 7.15 0.00 -1.26 -5.00 105.19 107.24 2k0f n GLY 92 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.00 0.00 0.00 1.61 6.94 -1.26 -4.87 115.26 117.68 2k0f n ASN 93 Ca 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.59 2k0f n ASN 93 Cb 0.00 -0.32 0.00 0.00 -2.36 0.00 0.00 39.78 37.10 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 0.84 0.92 2.96 4.83 0.00 -1.26 -5.06 105.19 108.41 2k0f n GLY 94 Ca 0.11 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.11 -0.26 1.61 2.02 -1.26 -4.14 117.35 113.21 2k0f s TYR 95 Ca 0.00 0.28 -0.19 0.00 -0.37 0.00 0.00 57.07 56.79 2k0f s TYR 95 Cb 0.00 0.01 -0.02 0.00 -0.40 0.00 0.00 41.96 41.55 2k0f s TYR 95 CO 0.00 -0.07 0.56 0.42 -1.57 0.00 0.00 175.55 174.90 2k0f s ILE 96 N 0.24 5.03 0.51 2.71 1.01 -0.40 -4.79 121.20 125.50 2k0f s ILE 96 Ca -0.02 0.96 -0.00 0.00 0.00 0.00 0.00 60.65 61.59 2k0f s ILE 96 Cb -0.03 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.58 2k0f s ILE 96 CO -0.01 0.04 0.74 -0.94 0.00 0.00 0.00 174.94 174.78 2k0f s SER 97 N 1.53 5.57 0.35 3.58 1.04 -1.26 -2.84 113.70 121.66 2k0f s SER 97 Ca 0.23 0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.91 2k0f s SER 97 Cb -0.16 -1.29 0.65 0.00 0.10 0.00 0.00 66.02 65.33 2k0f s SER 97 CO 0.09 -0.93 1.97 0.00 0.98 0.00 0.00 173.24 175.36 2k0f h ALA 98 N 0.19 1.60 0.10 5.32 0.00 -1.98 -0.16 119.26 124.33 2k0f h ALA 98 Ca -0.44 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.15 2k0f h ALA 98 Cb 1.27 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 18.84 2k0f h ALA 98 CO 0.56 0.32 -1.18 0.00 0.00 0.00 0.00 179.25 178.95 2k0f h ALA 99 N 1.58 0.10 -0.63 0.00 0.00 -1.98 -0.81 119.26 117.53 2k0f h ALA 99 Ca 0.29 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2k0f h ALA 99 Cb 0.09 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2k0f h ALA 99 CO -0.08 0.78 0.39 0.93 0.00 0.00 0.00 179.25 181.27 2k0f h GLU 100 N 0.22 0.84 -0.17 0.00 5.08 -1.82 0.25 114.58 118.97 2k0f h GLU 100 Ca -0.15 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2k0f h GLU 100 Cb 1.85 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 2k0f h GLU 100 CO 0.21 0.58 0.06 1.25 -1.00 0.00 0.00 179.01 180.12 2k0f h LEU 101 N 0.86 0.24 0.06 1.33 5.85 -0.97 -3.11 115.31 119.58 2k0f h LEU 101 Ca 0.23 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2k0f h LEU 101 Cb -0.06 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.91 2k0f h LEU 101 CO -0.05 0.35 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.28 2k0f h ARG 102 N 0.12 -0.08 -0.43 1.25 2.43 -0.96 -3.25 114.38 113.45 2k0f h ARG 102 Ca 0.06 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 2k0f h ARG 102 Cb 0.19 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2k0f h ARG 102 CO -0.00 0.25 -0.01 0.45 -1.51 0.00 0.00 179.97 179.15 2k0f h HIS 103 N -0.42 0.84 -0.27 2.20 3.86 -0.67 -1.24 115.15 119.46 2k0f h HIS 103 Ca -0.01 -0.15 -0.08 0.00 -1.16 0.00 0.00 60.37 58.97 2k0f h HIS 103 Cb 0.37 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 2k0f h HIS 103 CO 0.04 0.83 -0.17 -0.24 0.86 0.00 0.00 177.93 179.25 2k0f h VAL 104 N 0.61 1.24 -0.50 2.45 3.04 -1.65 -0.51 116.25 120.93 2k0f h VAL 104 Ca 0.12 -1.09 -0.09 0.00 -1.01 0.00 0.00 66.70 64.63 2k0f h VAL 104 Cb 0.50 1.23 -0.02 0.00 -2.01 0.00 0.00 31.29 30.99 2k0f h VAL 104 CO 0.02 0.35 -0.02 0.24 -1.01 0.00 0.00 177.57 177.15 2k0f h MET 105 N 0.43 0.89 -0.00 4.17 2.07 -1.57 -1.75 114.93 119.17 2k0f h MET 105 Ca 0.07 -0.30 -0.12 0.00 -2.07 0.00 0.00 59.70 57.28 2k0f h MET 105 Cb 0.55 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 30.18 2k0f h MET 105 CO 0.04 0.94 -0.59 1.15 1.07 0.00 0.00 176.91 179.51 2k0f h THR 106 N 0.75 1.43 0.00 2.22 2.02 -0.51 0.97 112.91 119.78 2k0f h THR 106 Ca 0.14 -2.03 -0.00 0.00 0.77 0.00 0.00 66.41 65.29 2k0f h THR 106 Cb 0.55 2.09 -0.00 0.00 -1.74 0.00 0.00 68.15 69.05 2k0f h THR 106 CO 0.03 0.58 -1.26 0.59 0.37 0.00 0.00 175.52 175.83 2k0f n ASN 107 N -3.84 0.64 0.08 4.18 3.02 -0.27 -2.36 115.26 116.71 2k0f n ASN 107 Ca -0.01 0.25 -0.16 0.00 -0.03 0.00 0.00 54.58 54.63 2k0f n ASN 107 Cb 0.59 0.83 -0.08 0.00 -0.61 0.00 0.00 39.78 40.51 2k0f n ASN 107 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2k0f h LEU 108 N 0.00 0.58 0.00 3.41 3.38 -1.25 -3.38 115.31 118.05 2k0f h LEU 108 Ca -0.00 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2k0f h LEU 108 Cb 1.01 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2k0f h LEU 108 CO 0.00 1.33 0.00 0.61 0.09 0.00 0.00 178.44 180.47 2k0f n GLY 109 N 1.15 1.23 3.90 0.83 0.00 0.01 -4.72 105.19 107.60 2k0f n GLY 109 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2k0f n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0f s GLU 110 N 0.00 3.42 -1.01 1.61 2.56 0.12 -4.97 118.70 120.43 2k0f s GLU 110 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 54.97 54.61 2k0f s GLU 110 Cb 0.00 -3.08 0.32 0.00 2.00 0.00 0.00 34.13 33.37 2k0f s GLU 110 CO 0.00 0.66 1.76 1.63 -0.56 0.00 0.00 175.26 178.75 2k0f n LYS 111 N 0.83 5.27 -2.01 4.30 5.02 -1.26 -4.42 118.16 125.88 2k0f n LYS 111 Ca -0.10 -4.67 -0.40 0.00 -2.02 0.00 0.00 58.31 51.13 2k0f n LYS 111 Cb 0.52 -2.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.06 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k0f s LEU 112 N -4.15 4.26 0.52 -0.35 1.43 -1.26 -5.06 118.68 114.07 2k0f s LEU 112 Ca 0.39 2.74 0.06 0.00 -1.03 0.00 0.00 54.13 56.28 2k0f s LEU 112 Cb 0.18 -3.82 0.02 0.00 0.03 0.00 0.00 46.19 42.60 2k0f s LEU 112 CO -0.11 -0.82 0.37 0.42 0.23 0.00 0.00 176.35 176.44 2k0f s THR 113 N -1.21 1.81 -0.05 5.49 -4.23 -1.26 -5.08 115.64 111.11 2k0f s THR 113 Ca 0.55 -1.51 -0.19 0.00 -1.18 0.00 0.00 61.69 59.37 2k0f s THR 113 Cb -0.40 -2.32 -0.31 0.00 1.34 0.00 0.00 72.50 70.81 2k0f s THR 113 CO 0.52 0.00 0.80 0.44 -0.54 0.00 0.00 174.62 175.84 2k0f h ASP 114 N 0.86 0.52 -0.97 3.99 3.32 -2.01 -3.20 116.42 118.93 2k0f h ASP 114 Ca -0.38 -0.92 0.32 0.00 0.02 0.00 0.00 57.03 56.07 2k0f h ASP 114 Cb 1.29 -0.17 -0.16 0.00 0.22 0.00 0.00 39.33 40.52 2k0f h ASP 114 CO 0.59 1.53 0.40 1.05 -1.72 0.00 0.00 179.24 181.09 2k0f h GLU 115 N -0.24 0.17 -0.12 3.56 4.11 -1.99 -1.41 114.58 118.66 2k0f h GLU 115 Ca -0.22 -0.01 -0.16 0.00 0.07 0.00 0.00 59.36 59.04 2k0f h GLU 115 Cb 1.79 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.00 2k0f h GLU 115 CO 0.15 0.11 -0.61 0.93 0.07 0.00 0.00 179.01 179.66 2k0f h GLU 116 N 0.17 0.42 0.28 1.06 5.08 -1.98 0.36 114.58 119.99 2k0f h GLU 116 Ca 0.70 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 2k0f h GLU 116 Cb 1.60 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.90 2k0f h GLU 116 CO -0.70 0.90 -0.14 0.28 -1.00 0.00 0.00 179.01 178.35 2k0f h VAL 117 N 0.31 0.73 -0.74 3.13 2.07 -1.27 -2.28 116.25 118.20 2k0f h VAL 117 Ca -0.01 -0.07 0.15 0.00 0.82 0.00 0.00 66.70 67.60 2k0f h VAL 117 Cb 1.15 0.77 -0.14 0.00 -1.52 0.00 0.00 31.29 31.55 2k0f h VAL 117 CO 0.11 0.02 -0.13 0.44 0.02 0.00 0.00 177.57 178.02 2k0f h ASP 118 N -0.42 -0.60 -0.47 0.57 3.32 -1.42 -2.74 116.42 114.67 2k0f h ASP 118 Ca -0.04 0.21 -0.14 0.00 0.02 0.00 0.00 57.03 57.09 2k0f h ASP 118 Cb 0.32 0.43 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 2k0f h ASP 118 CO 0.06 -0.23 -0.24 -0.08 -1.72 0.00 0.00 179.24 177.03 2k0f h GLU 119 N 0.02 0.99 -0.73 3.56 4.81 -0.73 -2.52 114.58 119.99 2k0f h GLU 119 Ca 0.37 -0.44 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 2k0f h GLU 119 Cb 0.59 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 2k0f h GLU 119 CO -0.74 1.12 0.32 0.52 -0.73 0.00 0.00 179.01 179.50 2k0f h MET 120 N 0.84 1.07 0.50 1.92 2.86 -1.33 0.15 114.93 120.95 2k0f h MET 120 Ca 0.10 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2k0f h MET 120 Cb 0.83 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 2k0f h MET 120 CO 0.07 0.87 -0.49 0.82 1.06 0.00 0.00 176.91 179.24 2k0f h ILE 121 N 1.04 0.05 0.00 -1.22 2.04 -1.21 -1.72 117.51 116.48 2k0f h ILE 121 Ca 0.25 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.06 2k0f h ILE 121 Cb 0.17 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 2k0f h ILE 121 CO -0.03 0.00 -0.22 0.08 0.00 0.00 0.00 178.15 177.98 2k0f h ARG 122 N -0.99 0.00 -0.22 2.37 0.11 -1.20 -0.54 114.38 113.92 2k0f h ARG 122 Ca -0.06 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.95 2k0f h ARG 122 Cb 0.86 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.93 2k0f h ARG 122 CO -0.05 0.22 -0.14 1.49 0.10 0.00 0.00 179.97 181.59 2k0f h GLU 123 N 0.00 0.48 0.10 0.08 4.81 -0.68 -3.35 114.58 116.02 2k0f h GLU 123 Ca -0.00 -0.22 -0.15 0.00 -0.13 0.00 0.00 59.36 58.86 2k0f h GLU 123 Cb 0.59 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.99 2k0f h GLU 123 CO 0.03 0.78 -0.64 0.00 -0.73 0.00 0.00 179.01 178.45 2k0f h ALA 124 N 0.69 -0.05 -2.27 2.92 0.00 -0.91 -3.45 119.26 116.19 2k0f h ALA 124 Ca 0.04 -0.64 -0.55 0.00 0.00 0.00 0.00 54.91 53.77 2k0f h ALA 124 Cb 0.66 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2k0f h ALA 124 CO 0.04 0.30 1.11 0.34 0.00 0.00 0.00 179.25 181.04 2k0f s ASP 125 N -6.80 6.62 -0.25 0.00 2.15 -0.24 -4.75 116.67 113.40 2k0f s ASP 125 Ca -0.14 2.27 -0.17 0.00 0.43 0.00 0.00 52.55 54.94 2k0f s ASP 125 Cb 0.01 -2.53 -0.16 0.00 -0.30 0.00 0.00 42.92 39.94 2k0f s ASP 125 CO 0.80 -0.96 -0.09 -0.38 -0.17 0.00 0.00 175.17 174.37 2k0f n ILE 126 N 5.53 1.54 0.00 4.11 5.41 -1.26 -4.75 119.36 129.94 2k0f n ILE 126 Ca 0.18 -0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.68 2k0f n ILE 126 Cb 0.43 -1.93 0.00 0.00 -0.71 0.00 0.00 39.64 37.42 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2k0f n ASP 127 N -4.28 0.00 0.00 4.38 5.68 -1.26 -5.01 116.55 116.06 2k0f n ASP 127 Ca -0.44 0.52 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 2k0f n ASP 127 Cb 0.81 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.69 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 -0.13 0.00 0.10 6.12 0.00 -1.26 -5.05 105.19 104.96 2k0f n GLY 128 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.24 0.00 1.61 3.04 -1.96 -3.49 116.42 115.86 2k0f h ASP 129 Ca 0.00 -0.90 0.00 0.00 -3.24 0.00 0.00 57.03 52.89 2k0f h ASP 129 Cb 0.00 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.21 2k0f h ASP 129 CO 0.00 1.31 0.00 0.61 -2.04 0.00 0.00 179.24 179.12 2k0f n GLY 130 N 1.64 2.29 3.55 7.15 0.00 -1.26 -5.08 105.19 113.48 2k0f n GLY 130 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.17 3.44 -0.20 1.61 -0.21 -1.26 -4.85 119.66 118.01 2k0f s GLN 131 Ca 0.00 -0.02 -0.29 0.00 0.02 0.00 0.00 55.36 55.07 2k0f s GLN 131 Cb 0.00 -3.97 0.00 0.00 1.00 0.00 0.00 33.01 30.04 2k0f s GLN 131 CO 0.00 -1.31 1.10 0.08 -2.12 0.00 0.00 175.29 173.05 2k0f s VAL 132 N 3.78 4.57 0.56 1.09 1.01 -1.13 -4.87 120.40 125.40 2k0f s VAL 132 Ca 0.34 1.89 -0.01 0.00 0.00 0.00 0.00 61.98 64.20 2k0f s VAL 132 Cb -0.11 -4.22 0.11 0.00 0.00 0.00 0.00 36.38 32.16 2k0f s VAL 132 CO 0.23 -0.16 0.76 -0.46 0.00 0.00 0.00 175.10 175.48 2k0f n ASN 133 N 6.33 0.95 -0.05 3.32 0.23 -1.26 -1.27 115.26 123.51 2k0f n ASN 133 Ca 0.12 -1.82 -0.13 0.00 -0.53 0.00 0.00 54.58 52.23 2k0f n ASN 133 Cb 0.46 -0.50 -0.07 0.00 -2.08 0.00 0.00 39.78 37.59 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N -0.62 0.30 -0.43 -2.53 5.03 -1.96 0.08 116.97 116.85 2k0f h TYR 134 Ca -0.25 -0.08 -0.09 0.00 2.58 0.00 0.00 58.73 60.89 2k0f h TYR 134 Cb 0.91 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 39.10 2k0f h TYR 134 CO 0.00 0.61 -0.11 1.49 -1.32 0.00 0.00 178.16 178.83 2k0f h GLU 135 N -0.09 0.77 0.00 1.82 4.57 -1.96 0.10 114.58 119.79 2k0f h GLU 135 Ca 0.03 -0.26 -0.07 0.00 -1.18 0.00 0.00 59.36 57.88 2k0f h GLU 135 Cb 0.54 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 2k0f h GLU 135 CO 0.02 0.85 -0.35 0.93 -1.18 0.00 0.00 179.01 179.29 2k0f h GLU 136 N 0.70 0.00 0.01 1.92 5.08 -1.88 0.11 114.58 120.52 2k0f h GLU 136 Ca 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2k0f h GLU 136 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2k0f h GLU 136 CO 0.04 0.35 -0.01 0.35 -1.00 0.00 0.00 179.01 178.74 2k0f h PHE 137 N 0.00 -0.02 0.18 4.33 3.57 -0.46 -2.54 116.94 122.01 2k0f h PHE 137 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2k0f h PHE 137 Cb 0.65 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.40 2k0f h PHE 137 CO 0.00 0.53 -0.09 0.28 -2.23 0.00 0.00 178.31 176.81 2k0f h VAL 138 N -0.57 0.93 -0.97 1.41 2.07 -0.36 -1.58 116.25 117.17 2k0f h VAL 138 Ca -0.00 -0.59 0.13 0.00 0.82 0.00 0.00 66.70 67.06 2k0f h VAL 138 Cb 0.55 1.28 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 2k0f h VAL 138 CO 0.00 0.13 0.61 1.56 0.02 0.00 0.00 177.57 179.90 2k0f h GLN 139 N -0.53 0.87 -0.36 1.57 4.20 -0.94 -1.12 115.11 118.79 2k0f h GLN 139 Ca -0.02 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 2k0f h GLN 139 Cb 0.40 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2k0f h GLN 139 CO 0.04 0.57 -0.19 1.98 -0.67 0.00 0.00 178.83 180.56 2k0f h MET 140 N 0.89 0.69 0.02 1.46 4.05 -1.19 -3.33 114.93 117.52 2k0f h MET 140 Ca 0.48 -0.26 -0.27 0.00 -0.28 0.00 0.00 59.70 59.38 2k0f h MET 140 Cb 0.57 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.29 2k0f h MET 140 CO -0.25 0.84 -1.48 0.52 0.23 0.00 0.00 176.91 176.77 2k0f h MET 141 N 0.61 0.04 -0.02 0.39 2.86 -0.65 -3.51 114.93 114.65 2k0f h MET 141 Ca 0.09 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2k0f h MET 141 Cb 0.67 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2k0f h MET 141 CO 0.05 0.74 0.00 2.41 1.06 0.00 0.00 176.91 181.17