#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 0.02 0.00 -0.78 4.39 -2.05 -0.94 114.58 115.22 2k0f h GLU 2 Ca 0.00 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2k0f h GLU 2 Cb 0.00 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2k0f h GLU 2 CO 0.00 0.21 -0.16 0.93 -1.16 0.00 0.00 179.01 178.83 2k0f h GLU 3 N 0.02 0.00 0.07 2.33 3.07 -2.05 0.19 114.58 118.20 2k0f h GLU 3 Ca 0.00 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.67 2k0f h GLU 3 Cb 0.34 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.25 2k0f h GLU 3 CO 0.02 0.16 -0.97 1.96 -1.40 0.00 0.00 179.01 178.78 2k0f h GLN 4 N 0.00 0.15 0.00 2.33 4.20 -1.93 -2.97 115.11 116.89 2k0f h GLN 4 Ca -0.00 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.41 2k0f h GLN 4 Cb 0.64 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 2k0f h GLN 4 CO 0.02 1.12 -0.21 0.82 -0.67 0.00 0.00 178.83 179.92 2k0f h ILE 5 N -0.60 1.04 -0.26 2.54 1.08 -0.80 -0.92 117.51 119.59 2k0f h ILE 5 Ca -0.22 -0.73 -0.18 0.00 -0.39 0.00 0.00 64.86 63.34 2k0f h ILE 5 Cb 1.48 1.41 -0.00 0.00 -3.07 0.00 0.00 36.82 36.64 2k0f h ILE 5 CO 0.01 0.20 -0.54 0.00 -0.69 0.00 0.00 178.15 177.13 2k0f h ALA 6 N 1.79 0.55 -0.56 1.87 0.00 -0.74 -2.27 119.26 119.90 2k0f h ALA 6 Ca -0.00 -0.51 0.05 0.00 0.00 0.00 0.00 54.91 54.45 2k0f h ALA 6 Cb 0.39 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2k0f h ALA 6 CO 0.03 0.68 0.29 0.93 0.00 0.00 0.00 179.25 181.18 2k0f h GLU 7 N 0.60 0.54 -0.02 0.00 5.08 -1.03 0.10 114.58 119.87 2k0f h GLU 7 Ca 0.02 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 2k0f h GLU 7 Cb 1.12 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2k0f h GLU 7 CO 0.11 0.36 -0.53 0.74 -1.00 0.00 0.00 179.01 178.70 2k0f h PHE 8 N 0.56 0.05 -0.20 4.33 0.04 -1.32 -1.31 116.94 119.10 2k0f h PHE 8 Ca 0.25 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.97 2k0f h PHE 8 Cb 0.15 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 2k0f h PHE 8 CO -0.09 0.56 0.03 0.87 -0.60 0.00 0.00 178.31 179.08 2k0f h LYS 9 N 0.03 0.34 0.00 1.51 1.57 -1.18 0.32 116.57 119.16 2k0f h LYS 9 Ca -0.00 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2k0f h LYS 9 Cb 0.94 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2k0f h LYS 9 CO 0.07 0.49 0.00 1.49 -0.57 0.00 0.00 179.45 180.93 2k0f h GLU 10 N 0.13 0.00 -0.10 3.15 4.81 -0.65 -0.28 114.58 121.63 2k0f h GLU 10 Ca 0.06 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 10 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2k0f h GLU 10 CO 0.00 0.00 -0.30 0.00 -0.73 0.00 0.00 179.01 177.98 2k0f h ALA 11 N 2.24 0.18 -0.41 2.92 0.00 -1.02 -3.06 119.26 120.11 2k0f h ALA 11 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2k0f h ALA 11 Cb 0.70 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2k0f h ALA 11 CO 0.00 0.21 0.15 0.35 0.00 0.00 0.00 179.25 179.96 2k0f h PHE 12 N -0.05 0.63 0.00 0.00 3.04 -0.69 -2.54 116.94 117.33 2k0f h PHE 12 Ca -0.01 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.89 2k0f h PHE 12 Cb 0.92 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.24 2k0f h PHE 12 CO 0.11 0.57 0.00 0.43 -2.02 0.00 0.00 178.31 177.40 2k0f n SER 13 N -4.62 0.31 0.07 0.41 7.64 -0.14 -0.79 113.62 116.50 2k0f n SER 13 Ca -0.00 0.63 -0.07 0.00 1.01 0.00 0.00 58.87 60.44 2k0f n SER 13 Cb 0.16 -0.68 0.06 0.00 -1.01 0.00 0.00 64.21 62.74 2k0f n SER 13 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k0f h LEU 14 N 0.00 0.33 0.00 -3.43 5.85 -1.34 -3.28 115.31 113.44 2k0f h LEU 14 Ca 0.00 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 2k0f h LEU 14 Cb 0.06 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2k0f h LEU 14 CO 0.00 0.93 -0.12 -0.26 -0.34 0.00 0.00 178.44 178.66 2k0f h PHE 15 N 0.19 0.00 -3.83 1.25 0.04 -1.37 -3.48 116.94 109.75 2k0f h PHE 15 Ca -0.02 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.23 2k0f h PHE 15 Cb 1.26 0.00 0.04 0.00 2.20 0.00 0.00 35.95 39.45 2k0f h PHE 15 CO 0.03 0.48 0.56 0.34 -0.60 0.00 0.00 178.31 179.12 2k0f s ASP 16 N -5.91 7.03 -0.02 2.17 -1.08 0.03 -4.65 116.67 114.24 2k0f s ASP 16 Ca -0.10 2.47 0.21 0.00 -0.52 0.00 0.00 52.55 54.60 2k0f s ASP 16 Cb -0.01 -2.64 -0.30 0.00 -1.46 0.00 0.00 42.92 38.51 2k0f s ASP 16 CO 0.32 -0.34 0.53 0.29 0.52 0.00 0.00 175.17 176.50 2k0f n LYS 17 N 1.06 0.57 -0.04 4.34 5.02 -1.26 -4.26 118.16 123.59 2k0f n LYS 17 Ca -0.00 -0.16 -0.07 0.00 -2.02 0.00 0.00 58.31 56.06 2k0f n LYS 17 Cb 0.43 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.92 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k0f n ASP 18 N -2.09 2.63 -0.17 4.39 8.00 -1.26 -5.03 116.55 123.02 2k0f n ASP 18 Ca -0.02 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 2k0f n ASP 18 Cb 0.50 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 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 2.92 1.03 0.01 0.44 0.00 -1.26 -5.06 105.19 103.27 2k0f n GLY 19 Ca -0.16 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 45.44 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 0.93 0.17 0.00 1.61 5.75 -1.26 -5.05 116.55 118.70 2k0f n ASP 20 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 2k0f n ASP 20 Cb 0.27 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 1.57 0.00 2.94 6.12 0.00 -1.26 -5.03 105.19 109.52 2k0f n GLY 21 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N 0.00 -0.00 -0.21 2.61 -4.23 -1.26 -2.02 115.64 110.53 2k0f s THR 22 Ca 0.00 0.01 -0.07 0.00 -1.18 0.00 0.00 61.69 60.44 2k0f s THR 22 Cb 0.00 -0.10 -0.04 0.00 1.34 0.00 0.00 72.50 73.70 2k0f s THR 22 CO 0.00 0.00 0.07 -0.63 -0.54 0.00 0.00 174.62 173.52 2k0f s ILE 23 N 0.08 4.62 0.83 2.99 1.01 -0.99 -4.94 121.20 124.80 2k0f s ILE 23 Ca -0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.44 2k0f s ILE 23 Cb -0.01 -3.11 0.11 0.00 0.01 0.00 0.00 42.46 39.46 2k0f s ILE 23 CO -0.00 0.40 1.19 0.42 0.00 0.00 0.00 174.94 176.96 2k0f s THR 24 N 0.89 2.04 0.37 2.92 -4.23 -1.26 -2.90 115.64 113.47 2k0f s THR 24 Ca 0.04 -0.05 0.12 0.00 -1.18 0.00 0.00 61.69 60.62 2k0f s THR 24 Cb -0.14 -2.99 0.34 0.00 1.34 0.00 0.00 72.50 71.05 2k0f s THR 24 CO 0.03 0.00 1.86 0.71 -0.54 0.00 0.00 174.62 176.67 2k0f h THR 25 N -1.14 0.77 0.00 3.99 1.35 -1.94 -1.47 112.91 114.47 2k0f h THR 25 Ca -0.45 -0.20 -0.11 0.00 -0.55 0.00 0.00 66.41 65.09 2k0f h THR 25 Cb 1.30 0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.83 2k0f h THR 25 CO 0.58 0.11 -0.54 0.11 -0.25 0.00 0.00 175.52 175.53 2k0f h LYS 26 N 0.59 0.00 0.17 4.72 1.79 -1.99 0.50 116.57 122.35 2k0f h LYS 26 Ca 0.46 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.92 2k0f h LYS 26 Cb 0.88 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 2k0f h LYS 26 CO -0.21 0.54 -0.08 0.93 -1.08 0.00 0.00 179.45 179.55 2k0f h GLU 27 N 0.00 -0.22 0.09 3.15 5.08 -1.88 -3.40 114.58 117.40 2k0f h GLU 27 Ca -0.01 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 27 Cb 1.35 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2k0f h GLU 27 CO 0.07 0.20 -0.04 1.25 -1.00 0.00 0.00 179.01 179.49 2k0f h LEU 28 N -0.78 -0.10 -1.81 1.33 5.85 -1.21 -3.34 115.31 115.24 2k0f h LEU 28 Ca -0.02 -0.44 0.07 0.00 0.84 0.00 0.00 57.88 58.32 2k0f h LEU 28 Cb 0.52 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2k0f h LEU 28 CO 0.04 0.42 0.26 1.23 -0.34 0.00 0.00 178.44 180.05 2k0f h GLY 29 N -0.67 0.28 1.25 3.75 0.00 -1.10 0.21 103.07 106.79 2k0f h GLY 29 Ca -0.01 -0.09 -0.27 0.00 0.00 0.00 0.00 47.33 46.96 2k0f h GLY 29 CO 0.02 0.07 -1.08 -0.91 0.00 0.00 0.00 176.54 174.64 2k0f h THR 30 N 0.23 1.29 -0.47 4.70 1.35 -1.77 -1.39 112.91 116.85 2k0f h THR 30 Ca 0.17 -2.32 -0.10 0.00 -0.55 0.00 0.00 66.41 63.62 2k0f h THR 30 Cb 0.38 2.45 -0.02 0.00 -1.73 0.00 0.00 68.15 69.24 2k0f h THR 30 CO -0.03 0.71 -0.08 0.58 -0.25 0.00 0.00 175.52 176.45 2k0f h VAL 31 N 0.35 1.27 -0.24 6.82 2.07 -1.23 -0.26 116.25 125.04 2k0f h VAL 31 Ca -0.14 -1.19 -0.12 0.00 0.82 0.00 0.00 66.70 66.07 2k0f h VAL 31 Cb 1.74 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 2k0f h VAL 31 CO 0.21 0.41 -0.34 -0.03 0.02 0.00 0.00 177.57 177.84 2k0f h MET 32 N 0.73 0.52 -0.58 1.57 -1.53 -0.70 -0.37 114.93 114.58 2k0f h MET 32 Ca 0.12 -0.24 -0.00 0.00 -3.44 0.00 0.00 59.70 56.14 2k0f h MET 32 Cb 0.62 -0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.63 2k0f h MET 32 CO 0.04 0.80 0.35 -0.09 0.14 0.00 0.00 176.91 178.15 2k0f h ARG 33 N 0.44 0.78 0.00 0.39 2.43 -1.24 0.44 114.38 117.62 2k0f h ARG 33 Ca 0.05 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2k0f h ARG 33 Cb 0.81 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2k0f h ARG 33 CO 0.07 0.54 -0.17 0.77 -1.51 0.00 0.00 179.97 179.67 2k0f h SER 34 N 0.79 0.00 0.00 -3.80 0.02 0.58 -2.99 113.55 108.15 2k0f h SER 34 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2k0f h SER 34 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2k0f h SER 34 CO -0.04 0.17 0.00 0.18 -1.14 0.00 0.00 176.83 176.00 2k0f n LEU 35 N -4.04 0.07 0.00 5.07 4.77 -0.51 -4.69 117.00 117.67 2k0f n LEU 35 Ca -0.02 0.69 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 2k0f n LEU 35 Cb 0.25 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2k0f n LEU 35 CO 0.34 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.53 2k0f n GLY 36 N 0.74 -0.62 3.07 -0.72 0.00 0.15 -5.05 105.19 102.76 2k0f n GLY 36 Ca 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 0.47 -0.40 1.61 -1.52 -0.78 -4.98 119.66 114.06 2k0f s GLN 37 Ca 0.00 -0.56 0.11 0.00 -1.95 0.00 0.00 55.36 52.96 2k0f s GLN 37 Cb 0.00 0.18 0.36 0.00 -0.22 0.00 0.00 33.01 33.33 2k0f s GLN 37 CO 0.00 -0.11 0.78 0.09 -0.25 0.00 0.00 175.29 175.80 2k0f n ASN 38 N 1.29 1.39 -4.65 5.90 3.02 -1.26 -3.30 115.26 117.65 2k0f n ASN 38 Ca -0.22 -3.09 -0.30 0.00 -0.03 0.00 0.00 54.58 50.94 2k0f n ASN 38 Cb 0.56 -0.61 0.17 0.00 -0.61 0.00 0.00 39.78 39.30 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2k0f s PRO 39 N -2.62 0.62 0.77 3.52 0.04 -1.26 -5.06 135.00 131.01 2k0f s PRO 39 Ca 0.41 0.95 -0.12 0.00 0.04 0.00 0.00 61.00 62.28 2k0f s PRO 39 Cb 0.35 -1.73 0.06 0.00 0.04 0.00 0.00 34.50 33.22 2k0f s PRO 39 CO -0.08 -2.71 1.14 0.95 0.04 0.00 0.00 177.00 176.33 2k0f s THR 40 N -2.76 2.65 0.15 1.26 -4.23 -1.26 -4.86 115.64 106.59 2k0f s THR 40 Ca 0.65 0.21 -0.11 0.00 -1.18 0.00 0.00 61.69 61.26 2k0f s THR 40 Cb -0.21 -3.18 0.02 0.00 1.34 0.00 0.00 72.50 70.47 2k0f s THR 40 CO 0.59 -0.28 1.58 -0.08 -0.54 0.00 0.00 174.62 175.90 2k0f h GLU 41 N -0.93 0.93 -0.06 3.99 4.81 -1.98 -0.18 114.58 121.17 2k0f h GLU 41 Ca -0.46 -0.34 -0.09 0.00 -0.13 0.00 0.00 59.36 58.35 2k0f h GLU 41 Cb 1.30 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2k0f h GLU 41 CO 0.64 1.00 -0.36 0.00 -0.73 0.00 0.00 179.01 179.56 2k0f h ALA 42 N 0.91 1.28 -0.16 2.92 0.00 -1.99 0.22 119.26 122.44 2k0f h ALA 42 Ca 0.13 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 2k0f h ALA 42 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k0f h ALA 42 CO 0.04 0.51 -0.68 0.93 0.00 0.00 0.00 179.25 180.06 2k0f h GLU 43 N 0.11 0.63 -0.48 0.00 5.08 -1.89 -2.64 114.58 115.39 2k0f h GLU 43 Ca 0.01 -0.47 -0.07 0.00 -1.00 0.00 0.00 59.36 57.84 2k0f h GLU 43 Cb 0.70 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2k0f h GLU 43 CO 0.05 1.09 0.03 1.25 -1.00 0.00 0.00 179.01 180.43 2k0f h LEU 44 N 0.45 0.75 -0.97 1.33 5.85 -0.07 -1.64 115.31 121.01 2k0f h LEU 44 Ca -0.02 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.42 2k0f h LEU 44 Cb 1.27 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 2k0f h LEU 44 CO 0.13 0.79 -0.48 1.56 -0.34 0.00 0.00 178.44 180.10 2k0f h GLN 45 N 0.74 0.08 -0.02 1.25 4.20 -0.63 -2.50 115.11 118.23 2k0f h GLN 45 Ca 0.15 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 2k0f h GLN 45 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2k0f h GLN 45 CO 0.01 0.55 -0.41 0.22 -0.67 0.00 0.00 178.83 178.53 2k0f h ASP 46 N 0.06 0.05 0.18 1.46 3.58 -0.95 0.45 116.42 121.25 2k0f h ASP 46 Ca 0.00 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2k0f h ASP 46 Cb 0.88 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.92 2k0f h ASP 46 CO 0.07 0.45 -0.08 0.24 -2.88 0.00 0.00 179.24 177.03 2k0f h MET 47 N 0.04 -0.23 0.40 0.28 2.86 -1.09 -2.91 114.93 114.29 2k0f h MET 47 Ca 0.00 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2k0f h MET 47 Cb 0.74 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 2k0f h MET 47 CO 0.05 -0.03 -0.33 0.82 1.06 0.00 0.00 176.91 178.48 2k0f h ILE 48 N -0.38 0.31 -1.27 -1.22 2.04 -1.40 -2.93 117.51 112.66 2k0f h ILE 48 Ca -0.02 0.00 0.46 0.00 1.00 0.00 0.00 64.86 66.30 2k0f h ILE 48 Cb 0.30 0.31 -0.15 0.00 -0.74 0.00 0.00 36.82 36.54 2k0f h ILE 48 CO 0.04 0.00 0.79 -1.13 0.00 0.00 0.00 178.15 177.85 2k0f h ASN 49 N -0.74 0.24 0.05 1.72 -1.24 -0.15 0.21 115.58 115.67 2k0f h ASN 49 Ca -0.03 0.19 -0.00 0.00 0.71 0.00 0.00 56.30 57.16 2k0f h ASN 49 Cb 0.64 0.19 -0.00 0.00 0.73 0.00 0.00 38.32 39.89 2k0f h ASN 49 CO -0.02 -0.31 -0.01 -0.08 -1.29 0.00 0.00 177.43 175.72 2k0f h GLU 50 N 0.01 0.00 0.00 6.67 4.81 -1.31 -3.28 114.58 121.48 2k0f h GLU 50 Ca 0.87 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 60.08 2k0f h GLU 50 Cb 2.66 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 32.03 2k0f h GLU 50 CO -0.55 0.01 -1.08 0.28 -0.73 0.00 0.00 179.01 176.94 2k0f n VAL 51 N -3.65 0.08 -1.52 0.32 0.31 0.45 -4.94 118.33 109.38 2k0f n VAL 51 Ca -0.03 -0.05 -0.37 0.00 -0.01 0.00 0.00 64.34 63.88 2k0f n VAL 51 Cb 0.10 -0.94 -0.12 0.00 -0.91 0.00 0.00 33.84 31.97 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2k0f n ASP 52 N -2.08 0.84 0.09 4.52 2.03 0.42 -4.80 116.55 117.57 2k0f n ASP 52 Ca -0.02 -0.14 -0.23 0.00 0.52 0.00 0.00 54.79 54.92 2k0f n ASP 52 Cb 0.54 -1.12 -0.15 0.00 -0.72 0.00 0.00 41.12 39.66 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f h ALA 53 N 14.30 0.05 -0.62 -1.67 0.00 -1.90 -3.41 119.26 126.01 2k0f h ALA 53 Ca -0.10 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.77 2k0f h ALA 53 Cb 1.28 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2k0f h ALA 53 CO 1.32 0.89 0.00 -0.40 0.00 0.00 0.00 179.25 181.06 2k0f n ASP 54 N -3.68 0.00 0.00 0.00 5.68 -1.26 -5.03 116.55 112.26 2k0f n ASP 54 Ca -0.22 0.66 0.00 0.00 -0.50 0.00 0.00 54.79 54.73 2k0f n ASP 54 Cb 1.06 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 40.65 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 55 N 0.52 -0.76 0.12 6.12 0.00 -1.26 -5.05 105.19 104.87 2k0f n GLY 55 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 7.08 -1.96 -3.48 115.58 118.83 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 56 CO 0.00 0.55 0.00 0.61 -2.08 0.00 0.00 177.43 176.51 2k0f n GLY 57 N 1.29 0.71 3.16 9.14 0.00 -1.26 -5.06 105.19 113.17 2k0f n GLY 57 Ca -0.02 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.51 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 1.08 -0.33 2.61 -4.23 -1.26 -4.81 115.64 106.71 2k0f s THR 58 Ca 0.00 -1.28 -0.29 0.00 -1.18 0.00 0.00 61.69 58.94 2k0f s THR 58 Cb 0.00 -1.04 0.01 0.00 1.34 0.00 0.00 72.50 72.81 2k0f s THR 58 CO 0.00 -0.22 1.14 -0.51 -0.54 0.00 0.00 174.62 174.49 2k0f s ILE 59 N -1.26 4.38 0.68 2.99 2.07 -1.14 -4.75 121.20 124.16 2k0f s ILE 59 Ca -0.02 1.57 -0.11 0.00 -1.41 0.00 0.00 60.65 60.67 2k0f s ILE 59 Cb -0.10 -4.36 -0.00 0.00 0.13 0.00 0.00 42.46 38.12 2k0f s ILE 59 CO 0.02 -0.53 1.05 -1.81 -1.91 0.00 0.00 174.94 171.76 2k0f s ASP 60 N 2.03 5.61 0.25 4.50 1.11 -1.26 -2.34 116.67 126.57 2k0f s ASP 60 Ca 0.49 1.51 0.03 0.00 0.18 0.00 0.00 52.55 54.75 2k0f s ASP 60 Cb -0.13 -2.43 0.31 0.00 1.07 0.00 0.00 42.92 41.75 2k0f s ASP 60 CO 0.19 -1.28 1.62 0.15 1.18 0.00 0.00 175.17 177.03 2k0f h PHE 61 N -0.61 0.45 0.00 4.23 3.57 -1.81 0.71 116.94 123.47 2k0f h PHE 61 Ca -0.44 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 60.92 2k0f h PHE 61 Cb 1.21 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.86 2k0f h PHE 61 CO 0.62 0.76 0.00 -2.30 -2.23 0.00 0.00 178.31 175.16 2k0f n PRO 62 N -3.99 0.21 -0.02 6.41 -0.02 -1.26 -1.03 135.00 135.29 2k0f n PRO 62 Ca -0.02 0.38 -0.19 0.00 -2.02 0.00 0.00 63.50 61.66 2k0f n PRO 62 Cb 0.52 -1.86 -0.14 0.00 -0.02 0.00 0.00 33.50 32.01 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k0f h GLU 63 N 0.00 0.15 -0.22 -0.52 5.08 -1.68 -3.02 114.58 114.37 2k0f h GLU 63 Ca 0.00 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 58.15 2k0f h GLU 63 Cb 0.44 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 2k0f h GLU 63 CO 0.00 1.13 -0.13 0.35 -1.00 0.00 0.00 179.01 179.36 2k0f h PHE 64 N -0.64 -0.32 -0.09 4.33 3.04 -0.92 -0.47 116.94 121.87 2k0f h PHE 64 Ca -0.16 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.75 2k0f h PHE 64 Cb 1.42 0.18 -0.01 0.00 2.56 0.00 0.00 35.95 40.10 2k0f h PHE 64 CO 0.20 -0.20 -0.28 1.25 -2.02 0.00 0.00 178.31 177.26 2k0f h LEU 65 N -0.11 0.16 -0.17 0.59 5.85 -1.23 0.11 115.31 120.50 2k0f h LEU 65 Ca 0.13 -0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.60 2k0f h LEU 65 Cb 0.30 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.30 2k0f h LEU 65 CO -0.30 0.44 -0.65 0.74 -0.34 0.00 0.00 178.44 178.33 2k0f h THR 66 N 0.15 1.30 0.11 1.05 2.02 -1.46 -0.25 112.91 115.82 2k0f h THR 66 Ca 0.02 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.34 2k0f h THR 66 Cb 0.57 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 2k0f h THR 66 CO 0.04 0.59 -0.09 -0.03 0.37 0.00 0.00 175.52 176.40 2k0f h MET 67 N 0.47 -0.21 -0.50 6.66 1.85 -0.07 -1.18 114.93 121.95 2k0f h MET 67 Ca -0.03 0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.11 2k0f h MET 67 Cb 1.28 0.05 -0.04 0.00 0.43 0.00 0.00 31.60 33.32 2k0f h MET 67 CO 0.14 -0.14 0.27 0.52 -0.40 0.00 0.00 176.91 177.30 2k0f h MET 68 N -0.22 0.51 -0.46 0.39 2.07 -0.71 -2.82 114.93 113.69 2k0f h MET 68 Ca 0.00 -0.03 -0.04 0.00 -2.07 0.00 0.00 59.70 57.56 2k0f h MET 68 Cb 0.20 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 29.80 2k0f h MET 68 CO -0.02 0.34 0.12 0.00 1.07 0.00 0.00 176.91 178.42 2k0f h ALA 69 N 1.26 1.35 -1.56 6.32 0.00 -0.97 -3.43 119.26 122.24 2k0f h ALA 69 Ca 0.22 -0.17 -0.55 0.00 0.00 0.00 0.00 54.91 54.40 2k0f h ALA 69 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2k0f h ALA 69 CO -0.14 0.47 1.55 -2.13 0.00 0.00 0.00 179.25 179.00 2k0f n ARG 70 N -4.31 1.35 -2.42 0.00 0.63 -0.45 -4.99 116.66 106.47 2k0f n ARG 70 Ca 0.03 0.26 -0.33 0.00 -0.92 0.00 0.00 57.85 56.90 2k0f n ARG 70 Cb 0.20 -3.07 -0.03 0.00 0.45 0.00 0.00 32.46 30.01 2k0f n ARG 70 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2k0f s LYS 71 N 7.18 3.86 0.00 -0.14 1.02 -1.26 -4.95 119.74 125.45 2k0f s LYS 71 Ca 1.04 1.09 0.00 0.00 0.02 0.00 0.00 55.97 58.11 2k0f s LYS 71 Cb -0.43 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 2k0f s LYS 71 CO 0.35 -0.35 0.00 -1.33 -0.92 0.00 0.00 175.35 173.10 2k0f n MET 72 N -1.42 1.06 -1.20 1.68 2.81 -1.26 -5.15 117.12 113.63 2k0f n MET 72 Ca 0.07 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.81 2k0f n MET 72 Cb 0.54 0.00 0.11 0.00 -0.71 0.00 0.00 33.22 33.15 2k0f n MET 72 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2k0f n LYS 73 N -0.92 -0.55 -0.01 0.03 2.85 -1.26 -4.93 118.16 113.37 2k0f n LYS 73 Ca 0.00 -1.23 -0.08 0.00 -1.05 0.00 0.00 58.31 55.94 2k0f n LYS 73 Cb 0.00 -0.69 -0.14 0.00 -0.65 0.00 0.00 35.03 33.55 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2k0f h ASP 74 N -0.86 0.00 0.45 -5.58 3.32 -2.01 -2.25 116.42 109.49 2k0f h ASP 74 Ca -0.23 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 2k0f h ASP 74 Cb 0.67 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2k0f h ASP 74 CO 0.18 1.01 -0.22 0.71 -1.72 0.00 0.00 179.24 179.20 2k0f h THR 75 N 0.00 0.56 -0.86 0.35 1.35 -2.00 -3.04 112.91 109.26 2k0f h THR 75 Ca -0.24 -0.13 0.23 0.00 -0.55 0.00 0.00 66.41 65.72 2k0f h THR 75 Cb 1.97 0.62 -0.14 0.00 -1.73 0.00 0.00 68.15 68.87 2k0f h THR 75 CO 0.09 0.02 0.18 0.44 -0.25 0.00 0.00 175.52 176.00 2k0f h ASP 76 N -0.68 -0.09 0.76 5.36 3.32 -1.96 -2.05 116.42 121.08 2k0f h ASP 76 Ca -0.06 0.20 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 2k0f h ASP 76 Cb 0.50 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 2k0f h ASP 76 CO 0.10 -0.17 -0.53 0.28 -1.72 0.00 0.00 179.24 177.20 2k0f h SER 77 N 0.18 0.00 -0.11 6.45 0.02 -1.42 -1.70 113.55 116.96 2k0f h SER 77 Ca 0.53 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.39 2k0f h SER 77 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2k0f h SER 77 CO -0.67 0.53 -0.28 -0.08 -1.14 0.00 0.00 176.83 175.19 2k0f h GLU 78 N 0.00 0.40 -0.39 3.45 4.81 -1.26 -3.26 114.58 118.33 2k0f h GLU 78 Ca -0.01 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 58.91 2k0f h GLU 78 Cb 1.06 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 2k0f h GLU 78 CO 0.07 0.88 0.07 1.49 -0.73 0.00 0.00 179.01 180.79 2k0f h GLU 79 N -0.03 0.58 -0.78 1.92 4.81 -1.12 -0.25 114.58 119.71 2k0f h GLU 79 Ca -0.00 -0.11 0.12 0.00 -0.13 0.00 0.00 59.36 59.24 2k0f h GLU 79 Cb 0.89 -0.09 -0.13 0.00 0.63 0.00 0.00 28.75 30.05 2k0f h GLU 79 CO 0.06 0.55 -0.40 1.49 -0.73 0.00 0.00 179.01 179.98 2k0f h GLU 80 N 0.57 -0.10 0.16 1.92 4.81 -1.36 -0.70 114.58 119.88 2k0f h GLU 80 Ca 0.13 0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 59.15 2k0f h GLU 80 Cb 0.25 0.02 0.03 0.00 0.63 0.00 0.00 28.75 29.68 2k0f h GLU 80 CO 0.00 -0.07 -0.96 0.82 -0.73 0.00 0.00 179.01 178.08 2k0f h ILE 81 N -0.10 1.46 0.00 2.32 2.04 -1.36 -2.55 117.51 119.32 2k0f h ILE 81 Ca 0.26 -2.56 -0.02 0.00 1.00 0.00 0.00 64.86 63.54 2k0f h ILE 81 Cb 0.56 3.14 -0.00 0.00 -0.74 0.00 0.00 36.82 39.78 2k0f h ILE 81 CO -0.83 0.73 -0.11 0.03 0.00 0.00 0.00 178.15 177.98 2k0f h ARG 82 N -0.24 0.00 0.00 2.37 2.47 -0.96 -0.55 114.38 117.47 2k0f h ARG 82 Ca -0.17 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 2k0f h ARG 82 Cb 1.75 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.07 2k0f h ARG 82 CO 0.18 0.11 -0.45 0.39 0.56 0.00 0.00 179.97 180.76 2k0f n GLU 83 N -4.25 0.24 0.11 0.04 -0.58 -0.28 -4.09 120.64 111.83 2k0f n GLU 83 Ca -0.03 0.10 -0.21 0.00 -0.42 0.00 0.00 57.16 56.61 2k0f n GLU 83 Cb 0.18 -1.68 -0.15 0.00 -0.57 0.00 0.00 31.44 29.22 2k0f n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k0f h ALA 84 N 2.59 0.05 -1.11 0.62 0.00 -0.92 -3.11 119.26 117.39 2k0f h ALA 84 Ca 0.00 -0.98 0.30 0.00 0.00 0.00 0.00 54.91 54.24 2k0f h ALA 84 Cb 0.71 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 2k0f h ALA 84 CO 0.00 0.92 0.74 0.35 0.00 0.00 0.00 179.25 181.26 2k0f h PHE 85 N 0.11 0.45 -0.55 0.00 3.57 -1.28 -1.01 116.94 118.23 2k0f h PHE 85 Ca -0.25 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.33 2k0f h PHE 85 Cb 2.08 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 40.66 2k0f h PHE 85 CO 0.10 0.02 0.37 0.00 -2.23 0.00 0.00 178.31 176.56 2k0f h ARG 86 N 0.25 0.50 -0.31 1.11 3.08 -1.69 -1.55 114.38 115.77 2k0f h ARG 86 Ca 0.61 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.49 2k0f h ARG 86 Cb 1.83 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.76 2k0f h ARG 86 CO -0.22 0.33 -0.36 0.28 -1.07 0.00 0.00 179.97 178.93 2k0f h VAL 87 N 0.52 1.29 0.12 2.04 2.07 -1.29 -3.35 116.25 117.64 2k0f h VAL 87 Ca 0.24 -1.53 -0.29 0.00 0.82 0.00 0.00 66.70 65.93 2k0f h VAL 87 Cb 0.28 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2k0f h VAL 87 CO -0.07 0.50 -1.42 -0.26 0.02 0.00 0.00 177.57 176.35 2k0f h PHE 88 N 0.56 0.45 -3.58 1.57 0.04 -1.61 -3.44 116.94 110.93 2k0f h PHE 88 Ca 0.04 -0.33 -0.63 0.00 2.80 0.00 0.00 57.97 59.85 2k0f h PHE 88 Cb 0.94 -0.02 -0.14 0.00 2.20 0.00 0.00 35.95 38.94 2k0f h PHE 88 CO 0.07 1.33 0.04 0.34 -0.60 0.00 0.00 178.31 179.49 2k0f s ASP 89 N -7.02 6.40 -0.13 2.17 2.15 -0.59 -4.42 116.67 115.23 2k0f s ASP 89 Ca -0.07 0.19 -0.11 0.00 0.43 0.00 0.00 52.55 52.99 2k0f s ASP 89 Cb 0.07 -2.30 -0.09 0.00 -0.30 0.00 0.00 42.92 40.31 2k0f s ASP 89 CO 0.86 -0.48 0.13 0.11 -0.17 0.00 0.00 175.17 175.62 2k0f h LYS 90 N 8.34 0.00 0.08 4.34 1.79 -1.85 -3.37 116.57 125.90 2k0f h LYS 90 Ca -0.27 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 57.95 2k0f h LYS 90 Cb 1.12 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.80 2k0f h LYS 90 CO 0.79 0.34 -0.99 0.38 -1.08 0.00 0.00 179.45 178.88 2k0f h ASP 91 N -1.00 0.74 0.00 0.86 2.03 -1.94 -3.49 116.42 113.62 2k0f h ASP 91 Ca -0.05 -0.81 0.00 0.00 -0.73 0.00 0.00 57.03 55.43 2k0f h ASP 91 Cb 0.52 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 2k0f h ASP 91 CO -0.03 1.48 0.00 0.61 -1.03 0.00 0.00 179.24 180.26 2k0f n GLY 92 N 1.30 1.94 0.00 7.15 0.00 -1.26 -5.01 105.19 109.31 2k0f n GLY 92 Ca -0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.86 115.26 117.69 2k0f n ASN 93 Ca 0.00 0.27 0.00 0.00 -0.02 0.00 0.00 54.58 54.83 2k0f n ASN 93 Cb 0.00 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.00 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.27 0.79 3.17 4.83 0.00 -1.26 -5.08 105.19 108.91 2k0f n GLY 94 Ca 0.09 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.43 -0.32 1.61 1.51 -1.26 -3.63 117.35 112.83 2k0f s TYR 95 Ca 0.00 0.97 -0.14 0.00 -1.01 0.00 0.00 57.07 56.89 2k0f s TYR 95 Cb 0.00 0.14 -0.02 0.00 -0.11 0.00 0.00 41.96 41.97 2k0f s TYR 95 CO 0.00 -0.26 0.33 0.42 -1.11 0.00 0.00 175.55 174.93 2k0f s ILE 96 N 1.04 5.20 0.73 2.71 1.01 -0.35 -4.81 121.20 126.74 2k0f s ILE 96 Ca -0.07 0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.61 2k0f s ILE 96 Cb -0.08 -3.75 0.04 0.00 0.01 0.00 0.00 42.46 38.68 2k0f s ILE 96 CO -0.08 0.01 1.11 -0.55 0.00 0.00 0.00 174.94 175.43 2k0f s SER 97 N 1.72 5.13 0.39 3.58 0.15 -1.26 -0.94 113.70 122.47 2k0f s SER 97 Ca 0.11 0.98 0.13 0.00 0.70 0.00 0.00 55.95 57.88 2k0f s SER 97 Cb -0.16 -1.68 0.79 0.00 -1.71 0.00 0.00 66.02 63.25 2k0f s SER 97 CO 0.11 -1.52 1.86 0.00 1.20 0.00 0.00 173.24 174.89 2k0f h ALA 98 N -0.76 1.43 -0.06 5.45 0.00 -1.97 -2.70 119.26 120.66 2k0f h ALA 98 Ca -0.45 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 2k0f h ALA 98 Cb 1.28 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2k0f h ALA 98 CO 0.64 0.42 -0.03 0.00 0.00 0.00 0.00 179.25 180.28 2k0f h ALA 99 N 1.67 0.08 -0.08 0.00 0.00 -1.97 -1.54 119.26 117.41 2k0f h ALA 99 Ca -0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2k0f h ALA 99 Cb 0.60 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2k0f h ALA 99 CO 0.04 -0.18 0.03 0.93 0.00 0.00 0.00 179.25 180.08 2k0f h GLU 100 N -0.27 0.11 -0.52 0.00 5.08 -1.85 0.13 114.58 117.26 2k0f h GLU 100 Ca 0.01 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2k0f h GLU 100 Cb 0.46 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.59 2k0f h GLU 100 CO 0.01 0.20 -0.21 1.25 -1.00 0.00 0.00 179.01 179.26 2k0f h LEU 101 N -0.01 -0.75 -0.12 1.33 5.85 -1.50 -0.27 115.31 119.84 2k0f h LEU 101 Ca 0.03 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.96 2k0f h LEU 101 Cb 0.13 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 2k0f h LEU 101 CO -0.00 -0.24 -0.06 -0.09 -0.34 0.00 0.00 178.44 177.70 2k0f h ARG 102 N -0.09 -0.05 -0.15 1.25 2.43 -1.07 -0.54 114.38 116.17 2k0f h ARG 102 Ca 0.24 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.31 2k0f h ARG 102 Cb 0.47 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2k0f h ARG 102 CO -0.58 -0.03 -0.35 1.25 -1.51 0.00 0.00 179.97 178.74 2k0f h HIS 103 N -0.05 0.35 0.09 2.20 2.76 -0.54 -0.67 115.15 119.29 2k0f h HIS 103 Ca 0.07 -0.08 -0.30 0.00 -2.20 0.00 0.00 60.37 57.86 2k0f h HIS 103 Cb 0.15 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 2k0f h HIS 103 CO -0.19 0.62 -1.51 -0.24 -1.30 0.00 0.00 177.93 175.31 2k0f h VAL 104 N 0.26 1.16 -0.19 5.26 3.04 -0.81 -3.07 116.25 121.90 2k0f h VAL 104 Ca 0.03 -2.83 -0.17 0.00 -1.01 0.00 0.00 66.70 62.72 2k0f h VAL 104 Cb 0.75 2.72 -0.00 0.00 -2.01 0.00 0.00 31.29 32.75 2k0f h VAL 104 CO 0.06 0.80 -0.58 0.24 -1.01 0.00 0.00 177.57 177.08 2k0f h MET 105 N 0.05 0.61 -0.71 4.17 2.86 -0.96 -2.31 114.93 118.65 2k0f h MET 105 Ca -0.23 -0.40 0.09 0.00 -2.06 0.00 0.00 59.70 57.10 2k0f h MET 105 Cb 1.99 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 33.64 2k0f h MET 105 CO 0.15 1.02 0.36 1.15 1.06 0.00 0.00 176.91 180.64 2k0f h THR 106 N 0.46 0.86 0.00 2.22 2.02 -1.23 -0.95 112.91 116.28 2k0f h THR 106 Ca 0.00 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 2k0f h THR 106 Cb 1.14 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2k0f h THR 106 CO 0.11 0.11 -0.19 0.78 0.37 0.00 0.00 175.52 176.70 2k0f h ASN 107 N 0.61 0.00 0.45 4.18 2.35 -1.41 -0.32 115.58 121.44 2k0f h ASN 107 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 2k0f h ASN 107 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2k0f h ASN 107 CO -0.26 0.19 -0.12 0.18 -1.65 0.00 0.00 177.43 175.77 2k0f n LEU 108 N -3.47 0.39 0.00 1.61 4.77 -0.47 -4.90 117.00 114.94 2k0f n LEU 108 Ca -0.01 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2k0f n LEU 108 Cb 0.36 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2k0f n LEU 108 CO 0.32 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2k0f n GLY 109 N 1.32 1.32 3.74 -0.72 0.00 -0.13 -5.02 105.19 105.70 2k0f n GLY 109 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 4.51 -0.84 1.61 0.41 -0.86 -4.96 118.70 118.57 2k0f s GLU 110 Ca 0.00 1.89 0.01 0.00 -0.41 0.00 0.00 54.97 56.46 2k0f s GLU 110 Cb 0.00 -3.22 0.25 0.00 -1.78 0.00 0.00 34.13 29.38 2k0f s GLU 110 CO 0.00 -0.04 0.95 1.63 -0.49 0.00 0.00 175.26 177.30 2k0f n LYS 111 N 2.17 3.06 -3.69 1.61 5.02 -1.26 -3.99 118.16 121.07 2k0f n LYS 111 Ca 0.03 -4.58 -0.35 0.00 -2.02 0.00 0.00 58.31 51.39 2k0f n LYS 111 Cb 0.44 -2.37 -0.05 0.00 -0.02 0.00 0.00 35.03 33.02 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 -2.19 4.38 0.00 -0.35 1.02 -1.26 -5.09 118.68 115.20 2k0f s LEU 112 Ca 0.33 0.66 0.08 0.00 0.02 0.00 0.00 54.13 55.22 2k0f s LEU 112 Cb 0.05 -2.66 0.08 0.00 0.02 0.00 0.00 46.19 43.67 2k0f s LEU 112 CO -0.02 0.26 0.65 0.35 0.02 0.00 0.00 176.35 177.61 2k0f n THR 113 N 1.27 0.00 0.30 5.49 -2.24 -1.26 -5.00 114.28 112.85 2k0f n THR 113 Ca -0.12 -1.91 0.18 0.00 -2.27 0.00 0.00 64.05 59.94 2k0f n THR 113 Cb 0.53 -0.39 0.85 0.00 -2.10 0.00 0.00 70.33 69.21 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 0.25 0.00 0.01 3.42 3.32 -2.00 -3.04 116.42 118.37 2k0f h ASP 114 Ca -0.28 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.65 2k0f h ASP 114 Cb 1.19 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 2k0f h ASP 114 CO 0.41 0.00 -0.66 -0.08 -1.72 0.00 0.00 179.24 177.19 2k0f h GLU 115 N 0.00 0.01 -0.57 3.56 4.81 -2.00 -3.24 114.58 117.15 2k0f h GLU 115 Ca 0.00 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 115 Cb 0.29 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.60 2k0f h GLU 115 CO 0.00 1.01 -0.42 1.49 -0.73 0.00 0.00 179.01 180.36 2k0f h GLU 116 N -0.97 -0.09 -0.48 1.92 4.81 -1.96 -1.80 114.58 116.00 2k0f h GLU 116 Ca -0.18 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.13 2k0f h GLU 116 Cb 1.18 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 2k0f h GLU 116 CO -0.10 -0.06 0.33 -0.24 -0.73 0.00 0.00 179.01 178.21 2k0f h VAL 117 N -0.10 0.93 -0.17 0.32 3.04 -1.68 -0.37 116.25 118.22 2k0f h VAL 117 Ca 0.09 -0.12 -0.01 0.00 -1.01 0.00 0.00 66.70 65.66 2k0f h VAL 117 Cb 0.34 0.56 -0.01 0.00 -2.01 0.00 0.00 31.29 30.17 2k0f h VAL 117 CO -0.59 0.06 0.08 -0.78 -1.01 0.00 0.00 177.57 175.33 2k0f h ASP 118 N 0.34 0.23 -0.95 3.17 3.58 -1.49 0.58 116.42 121.89 2k0f h ASP 118 Ca 0.22 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.55 2k0f h ASP 118 Cb 0.41 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.36 2k0f h ASP 118 CO -0.05 0.30 0.63 -0.08 -2.88 0.00 0.00 179.24 177.15 2k0f h GLU 119 N 0.15 1.21 0.49 0.28 4.57 -0.35 -1.81 114.58 119.11 2k0f h GLU 119 Ca 0.06 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2k0f h GLU 119 Cb 0.13 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 2k0f h GLU 119 CO -0.01 0.80 -0.23 0.52 -1.18 0.00 0.00 179.01 178.91 2k0f h MET 120 N 1.25 -0.63 -0.66 1.92 2.86 -1.04 -3.00 114.93 115.63 2k0f h MET 120 Ca 0.36 0.04 0.01 0.00 -2.06 0.00 0.00 59.70 58.06 2k0f h MET 120 Cb -0.08 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 2k0f h MET 120 CO -0.09 -0.33 0.43 0.97 1.06 0.00 0.00 176.91 178.95 2k0f h ILE 121 N -1.02 1.15 0.00 -1.22 6.09 -0.80 0.23 117.51 121.93 2k0f h ILE 121 Ca -0.07 -0.30 -0.01 0.00 -1.37 0.00 0.00 64.86 63.12 2k0f h ILE 121 Cb 0.59 0.21 -0.00 0.00 0.47 0.00 0.00 36.82 38.09 2k0f h ILE 121 CO 0.11 0.16 -0.04 -0.09 -3.07 0.00 0.00 178.15 175.21 2k0f h ARG 122 N 0.86 0.00 -0.47 2.19 2.43 -1.45 -2.09 114.38 115.85 2k0f h ARG 122 Ca 0.25 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.31 2k0f h ARG 122 Cb -0.06 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2k0f h ARG 122 CO -0.06 0.04 -0.12 1.49 -1.51 0.00 0.00 179.97 179.81 2k0f h GLU 123 N 0.00 0.88 0.03 0.20 4.81 -0.79 -3.33 114.58 116.38 2k0f h GLU 123 Ca -0.00 -0.31 -0.19 0.00 -0.13 0.00 0.00 59.36 58.73 2k0f h GLU 123 Cb 0.43 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 2k0f h GLU 123 CO 0.01 0.95 -0.98 0.00 -0.73 0.00 0.00 179.01 178.25 2k0f h ALA 124 N 1.07 0.17 -2.09 2.92 0.00 -1.54 -3.46 119.26 116.34 2k0f h ALA 124 Ca 0.13 -0.99 -0.61 0.00 0.00 0.00 0.00 54.91 53.44 2k0f h ALA 124 Cb 0.64 0.48 0.09 0.00 0.00 0.00 0.00 17.79 19.00 2k0f h ALA 124 CO 0.04 0.56 0.36 -3.47 0.00 0.00 0.00 179.25 176.75 2k0f n ASP 125 N -4.32 1.93 0.00 0.00 2.03 -0.79 -4.83 116.55 110.57 2k0f n ASP 125 Ca -0.24 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.23 2k0f n ASP 125 Cb 0.70 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 2k0f n ASP 125 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2k0f n ILE 126 N 1.10 0.00 0.00 5.18 5.41 -1.26 -4.86 119.36 124.93 2k0f n ILE 126 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.86 2k0f n ILE 126 Cb 0.30 -0.81 0.00 0.00 -0.71 0.00 0.00 39.64 38.42 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 -1.74 0.00 -0.14 4.38 5.68 -1.26 -5.05 116.55 118.42 2k0f n ASP 127 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2k0f n ASP 127 Cb 0.41 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 2.37 0.29 0.06 6.12 0.00 -1.26 -5.03 105.19 107.74 2k0f n GLY 128 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.00 0.60 0.00 1.61 5.68 -1.26 -4.98 116.55 118.20 2k0f n ASP 129 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 2k0f n ASP 129 Cb 0.15 0.82 0.00 0.00 -1.14 0.00 0.00 41.12 40.95 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 130 N 1.29 1.20 3.50 6.12 0.00 -1.26 -5.00 105.19 111.04 2k0f n GLY 130 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2k0f n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 131 N -0.45 3.76 -0.80 1.61 -1.52 -1.26 -4.49 119.66 116.51 2k0f s GLN 131 Ca 0.00 -0.42 -0.21 0.00 -1.95 0.00 0.00 55.36 52.78 2k0f s GLN 131 Cb 0.00 -3.42 0.10 0.00 -0.22 0.00 0.00 33.01 29.47 2k0f s GLN 131 CO 0.00 -0.16 1.04 0.08 -0.25 0.00 0.00 175.29 176.00 2k0f s VAL 132 N 1.59 4.53 0.33 1.09 1.01 -0.11 -4.84 120.40 124.00 2k0f s VAL 132 Ca 0.06 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 2k0f s VAL 132 Cb -0.15 -4.73 0.07 0.00 0.00 0.00 0.00 36.38 31.56 2k0f s VAL 132 CO 0.06 -1.48 0.46 -0.46 0.00 0.00 0.00 175.10 173.67 2k0f n ASN 133 N 7.13 0.51 -0.05 3.32 0.23 -1.26 -1.21 115.26 123.92 2k0f n ASN 133 Ca 0.10 -1.46 -0.07 0.00 -0.53 0.00 0.00 54.58 52.63 2k0f n ASN 133 Cb 0.47 -0.31 0.11 0.00 -2.08 0.00 0.00 39.78 37.98 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 -0.61 0.78 0.01 -2.53 3.20 -1.97 -0.14 116.97 115.71 2k0f h TYR 134 Ca -0.15 -0.18 0.03 0.00 3.14 0.00 0.00 58.73 61.56 2k0f h TYR 134 Cb 0.53 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 2k0f h TYR 134 CO 0.00 0.87 -0.19 0.93 -1.64 0.00 0.00 178.16 178.13 2k0f h GLU 135 N 0.59 -0.31 -0.24 1.82 5.08 -1.94 -2.58 114.58 117.00 2k0f h GLU 135 Ca 0.08 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 135 Cb 0.75 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2k0f h GLU 135 CO 0.06 -0.20 0.10 0.93 -1.00 0.00 0.00 179.01 178.90 2k0f h GLU 136 N -0.32 0.33 -0.24 2.33 5.08 -1.83 -2.41 114.58 117.54 2k0f h GLU 136 Ca 0.06 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2k0f h GLU 136 Cb 0.39 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2k0f h GLU 136 CO -0.18 0.28 0.02 0.35 -1.00 0.00 0.00 179.01 178.48 2k0f h PHE 137 N 0.34 0.43 0.10 4.33 3.57 -0.81 -1.96 116.94 122.94 2k0f h PHE 137 Ca 0.09 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2k0f h PHE 137 Cb 0.06 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.69 2k0f h PHE 137 CO 0.00 0.55 -0.05 0.28 -2.23 0.00 0.00 178.31 176.86 2k0f h VAL 138 N 0.19 1.04 0.00 1.41 2.07 -1.04 -2.76 116.25 117.17 2k0f h VAL 138 Ca 0.07 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2k0f h VAL 138 Cb 0.36 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2k0f h VAL 138 CO 0.01 0.12 -0.04 -0.61 0.02 0.00 0.00 177.57 177.07 2k0f h GLN 139 N -0.36 0.00 -0.44 1.57 5.75 -1.63 0.14 115.11 120.13 2k0f h GLN 139 Ca -0.01 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.38 2k0f h GLN 139 Cb 0.30 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 2k0f h GLN 139 CO 0.02 0.04 -0.14 1.98 -2.65 0.00 0.00 178.83 178.08 2k0f h MET 140 N 0.00 0.88 0.00 1.69 4.05 -1.24 -3.20 114.93 117.11 2k0f h MET 140 Ca -0.00 -0.35 -0.04 0.00 -0.28 0.00 0.00 59.70 59.03 2k0f h MET 140 Cb 0.12 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 2k0f h MET 140 CO 0.01 1.00 -0.35 0.52 0.23 0.00 0.00 176.91 178.32 2k0f h MET 141 N 0.72 0.00 -0.02 0.39 2.86 -0.61 -3.51 114.93 114.75 2k0f h MET 141 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2k0f h MET 141 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 2k0f h MET 141 CO 0.05 0.15 0.00 0.25 1.06 0.00 0.00 176.91 178.42