#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 1.05 -0.11 -0.78 4.39 -2.05 -3.12 114.58 113.95 2k0f h GLU 2 Ca 0.00 -0.36 -0.08 0.00 0.34 0.00 0.00 59.36 59.26 2k0f h GLU 2 Cb 0.00 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2k0f h GLU 2 CO 0.00 1.06 -0.24 0.93 -1.16 0.00 0.00 179.01 179.60 2k0f h GLU 3 N 0.94 0.36 -0.87 2.33 4.39 -2.04 -0.93 114.58 118.77 2k0f h GLU 3 Ca 0.16 -0.24 0.08 0.00 0.34 0.00 0.00 59.36 59.70 2k0f h GLU 3 Cb 0.62 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.24 2k0f h GLU 3 CO 0.04 0.84 0.57 1.96 -1.16 0.00 0.00 179.01 181.25 2k0f h GLN 4 N -0.06 0.88 0.03 2.33 1.08 -1.97 0.86 115.11 118.25 2k0f h GLN 4 Ca 0.00 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2k0f h GLN 4 Cb 0.83 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 2k0f h GLN 4 CO 0.05 0.58 -0.01 0.82 -0.95 0.00 0.00 178.83 179.32 2k0f h ILE 5 N 0.91 1.29 -0.09 2.54 1.08 -1.53 -2.70 117.51 119.01 2k0f h ILE 5 Ca 0.39 -1.01 -0.12 0.00 -0.39 0.00 0.00 64.86 63.73 2k0f h ILE 5 Cb 0.33 1.96 -0.01 0.00 -3.07 0.00 0.00 36.82 36.03 2k0f h ILE 5 CO -0.16 0.26 -0.50 0.00 -0.69 0.00 0.00 178.15 177.06 2k0f h ALA 6 N 0.48 1.00 -0.02 1.87 0.00 -0.48 -0.12 119.26 121.99 2k0f h ALA 6 Ca -0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 2k0f h ALA 6 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2k0f h ALA 6 CO 0.01 0.65 -0.32 1.49 0.00 0.00 0.00 179.25 181.08 2k0f h GLU 7 N 0.18 0.03 -0.38 0.00 4.57 0.64 -0.86 114.58 118.77 2k0f h GLU 7 Ca 0.01 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 2k0f h GLU 7 Cb 0.94 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.52 2k0f h GLU 7 CO 0.08 0.35 -0.27 0.35 -1.18 0.00 0.00 179.01 178.33 2k0f h PHE 8 N 0.03 0.91 0.00 0.92 3.04 -1.03 -2.98 116.94 117.83 2k0f h PHE 8 Ca 0.00 -0.23 -0.01 0.00 3.98 0.00 0.00 57.97 61.71 2k0f h PHE 8 Cb 0.58 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 38.88 2k0f h PHE 8 CO 0.00 0.97 -0.50 -0.22 -2.02 0.00 0.00 178.31 176.54 2k0f h LYS 9 N 0.68 0.00 0.01 1.11 3.64 -0.62 0.15 116.57 121.54 2k0f h LYS 9 Ca 0.08 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2k0f h LYS 9 Cb 0.80 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2k0f h LYS 9 CO 0.07 0.05 -0.00 0.93 -2.27 0.00 0.00 179.45 178.22 2k0f h GLU 10 N 0.00 -0.01 -0.78 1.90 4.39 -1.13 -1.10 114.58 117.85 2k0f h GLU 10 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k0f h GLU 10 Cb 1.05 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.67 2k0f h GLU 10 CO 0.01 0.22 0.50 0.00 -1.16 0.00 0.00 179.01 178.58 2k0f h ALA 11 N 0.76 1.42 -0.39 3.43 0.00 -1.36 -1.76 119.26 121.35 2k0f h ALA 11 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k0f h ALA 11 Cb 0.23 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2k0f h ALA 11 CO 0.00 0.53 0.24 0.35 0.00 0.00 0.00 179.25 180.37 2k0f h PHE 12 N 1.07 0.52 0.00 0.00 3.04 -0.71 -1.68 116.94 119.17 2k0f h PHE 12 Ca 0.29 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.23 2k0f h PHE 12 Cb -0.10 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.24 2k0f h PHE 12 CO 0.00 0.37 0.00 0.43 -2.02 0.00 0.00 178.31 177.09 2k0f n SER 13 N -4.78 0.41 0.03 0.41 7.64 -0.42 -0.15 113.62 116.77 2k0f n SER 13 Ca 0.00 0.61 -0.13 0.00 1.01 0.00 0.00 58.87 60.36 2k0f n SER 13 Cb 0.05 -0.69 -0.14 0.00 -1.01 0.00 0.00 64.21 62.42 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 0.21 0.07 -3.43 5.85 -0.67 -3.39 115.31 113.95 2k0f h LEU 14 Ca 0.00 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 2k0f h LEU 14 Cb 0.30 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2k0f h LEU 14 CO 0.00 1.28 -0.03 0.15 -0.34 0.00 0.00 178.44 179.50 2k0f h PHE 15 N 0.04 -0.09 -2.47 1.25 3.04 -0.55 -3.44 116.94 114.72 2k0f h PHE 15 Ca -0.23 -0.00 -0.55 0.00 3.98 0.00 0.00 57.97 61.17 2k0f h PHE 15 Cb 1.97 0.03 -0.00 0.00 2.56 0.00 0.00 35.95 40.51 2k0f h PHE 15 CO 0.04 0.48 1.21 0.34 -2.02 0.00 0.00 178.31 178.36 2k0f s ASP 16 N -5.75 6.34 0.35 0.41 -1.08 0.79 -4.92 116.67 112.81 2k0f s ASP 16 Ca -0.13 2.18 0.27 0.00 -0.52 0.00 0.00 52.55 54.34 2k0f s ASP 16 Cb -0.01 -2.53 0.92 0.00 -1.46 0.00 0.00 42.92 39.84 2k0f s ASP 16 CO 0.51 -1.20 1.78 0.11 0.52 0.00 0.00 175.17 176.88 2k0f h LYS 17 N 11.01 0.00 0.00 4.34 1.57 -1.87 -2.90 116.57 128.72 2k0f h LYS 17 Ca -0.42 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.17 2k0f h LYS 17 Cb 1.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 2k0f h LYS 17 CO 0.96 0.00 -1.80 -0.25 -0.57 0.00 0.00 179.45 177.79 2k0f n ASP 18 N -2.61 2.01 0.00 0.86 8.00 -1.26 -5.00 116.55 118.55 2k0f n ASP 18 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2k0f n ASP 18 Cb 0.35 0.91 0.00 0.00 -0.02 0.00 0.00 41.12 42.36 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 2.18 0.75 0.06 0.44 0.00 -1.10 -5.03 105.19 102.50 2k0f n GLY 19 Ca -0.17 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.48 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 0.60 1.47 0.00 1.61 5.68 -1.26 -4.91 116.55 119.74 2k0f n ASP 20 Ca 0.00 0.57 0.00 0.00 -0.50 0.00 0.00 54.79 54.86 2k0f n ASP 20 Cb 0.00 -0.81 0.00 0.00 -1.14 0.00 0.00 41.12 39.17 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 1.64 0.20 3.20 6.12 0.00 -1.26 -5.09 105.19 110.00 2k0f n GLY 21 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 2.70 -0.41 2.61 -4.23 -1.26 -3.32 115.64 111.73 2k0f s THR 22 Ca 0.00 -0.86 -0.21 0.00 -1.18 0.00 0.00 61.69 59.44 2k0f s THR 22 Cb 0.00 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.60 2k0f s THR 22 CO 0.00 0.38 0.66 -0.63 -0.54 0.00 0.00 174.62 174.49 2k0f s ILE 23 N 1.35 4.82 0.67 2.99 1.01 0.17 -4.93 121.20 127.29 2k0f s ILE 23 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.04 2k0f s ILE 23 Cb -0.15 -4.17 0.10 0.00 0.01 0.00 0.00 42.46 38.25 2k0f s ILE 23 CO -0.07 -0.50 0.93 0.42 0.00 0.00 0.00 174.94 175.72 2k0f s THR 24 N 2.85 2.25 0.15 2.92 -4.23 -1.26 -1.99 115.64 116.33 2k0f s THR 24 Ca 0.24 -0.63 -0.10 0.00 -1.18 0.00 0.00 61.69 60.03 2k0f s THR 24 Cb -0.14 -2.62 -0.03 0.00 1.34 0.00 0.00 72.50 71.04 2k0f s THR 24 CO 0.18 0.00 1.49 0.71 -0.54 0.00 0.00 174.62 176.46 2k0f h THR 25 N -0.35 1.27 -0.15 3.99 1.35 -1.89 -2.87 112.91 114.26 2k0f h THR 25 Ca -0.37 -1.55 -0.00 0.00 -0.55 0.00 0.00 66.41 63.93 2k0f h THR 25 Cb 1.28 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 69.07 2k0f h THR 25 CO 0.43 0.52 0.08 0.50 -0.25 0.00 0.00 175.52 176.80 2k0f h LYS 26 N 0.74 0.21 -0.22 4.72 3.64 -1.97 0.21 116.57 123.90 2k0f h LYS 26 Ca 0.06 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 2k0f h LYS 26 Cb 0.96 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.69 2k0f h LYS 26 CO 0.09 0.22 -0.10 0.93 -2.27 0.00 0.00 179.45 178.32 2k0f h GLU 27 N 0.15 -0.07 -0.36 1.90 5.08 -1.95 0.40 114.58 119.73 2k0f h GLU 27 Ca 0.05 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 27 Cb 0.07 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 2k0f h GLU 27 CO -0.01 -0.05 0.14 1.25 -1.00 0.00 0.00 179.01 179.35 2k0f h LEU 28 N -0.07 0.18 -0.51 1.33 5.85 -1.40 0.16 115.31 120.86 2k0f h LEU 28 Ca 0.12 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 2k0f h LEU 28 Cb 0.25 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2k0f h LEU 28 CO -0.27 0.14 0.18 1.23 -0.34 0.00 0.00 178.44 179.38 2k0f h GLY 29 N 0.30 0.83 1.13 3.75 0.00 0.10 -1.30 103.07 107.87 2k0f h GLY 29 Ca 0.16 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 2k0f h GLY 29 CO -0.14 0.44 -0.14 -0.84 0.00 0.00 0.00 176.54 175.86 2k0f h THR 30 N 0.68 1.27 0.02 4.70 2.02 0.33 0.20 112.91 122.13 2k0f h THR 30 Ca 0.17 -1.30 0.03 0.00 0.77 0.00 0.00 66.41 66.08 2k0f h THR 30 Cb 0.23 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 2k0f h THR 30 CO -0.01 0.46 -0.26 0.58 0.37 0.00 0.00 175.52 176.66 2k0f h VAL 31 N 0.89 0.42 -0.68 3.16 2.07 -0.91 -1.63 116.25 119.58 2k0f h VAL 31 Ca 0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 2k0f h VAL 31 Cb 0.71 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2k0f h VAL 31 CO 0.05 0.00 0.40 0.24 0.02 0.00 0.00 177.57 178.28 2k0f h MET 32 N -0.40 0.93 -0.03 1.57 2.86 -0.06 -1.72 114.93 118.07 2k0f h MET 32 Ca 0.06 -0.09 -0.16 0.00 -2.06 0.00 0.00 59.70 57.45 2k0f h MET 32 Cb 0.48 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2k0f h MET 32 CO -0.22 0.67 -0.70 0.00 1.06 0.00 0.00 176.91 177.73 2k0f h ARG 33 N 0.93 0.18 -0.78 1.72 3.08 -0.68 -0.49 114.38 118.33 2k0f h ARG 33 Ca 0.24 -0.15 0.06 0.00 0.07 0.00 0.00 59.98 60.21 2k0f h ARG 33 Cb -0.01 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 2k0f h ARG 33 CO -0.04 0.81 0.47 0.77 -1.07 0.00 0.00 179.97 180.90 2k0f h SER 34 N 0.12 0.71 0.00 7.04 0.02 -0.85 -3.36 113.55 117.23 2k0f h SER 34 Ca -0.02 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2k0f h SER 34 Cb 1.24 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2k0f h SER 34 CO 0.10 0.45 0.00 -0.11 -1.14 0.00 0.00 176.83 176.14 2k0f n LEU 35 N -4.69 0.19 0.00 5.07 7.94 -0.69 -4.96 117.00 119.86 2k0f n LEU 35 Ca 0.11 0.66 0.00 0.00 -1.11 0.00 0.00 56.01 55.66 2k0f n LEU 35 Cb 0.18 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 43.92 2k0f n LEU 35 CO 0.30 -0.21 0.00 0.61 -1.11 0.00 0.00 177.39 176.98 2k0f n GLY 36 N -0.38 0.00 3.11 -3.96 0.00 -0.82 -5.12 105.19 98.02 2k0f n GLY 36 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.75 -0.64 1.61 -0.21 -0.25 -5.02 119.66 115.89 2k0f s GLN 37 Ca 0.00 -0.76 0.06 0.00 0.02 0.00 0.00 55.36 54.68 2k0f s GLN 37 Cb 0.00 -0.69 0.26 0.00 1.00 0.00 0.00 33.01 33.58 2k0f s GLN 37 CO 0.00 0.16 0.78 0.09 -2.12 0.00 0.00 175.29 174.20 2k0f n ASN 38 N 1.70 3.88 -4.71 5.90 4.13 -1.26 -3.52 115.26 121.38 2k0f n ASN 38 Ca -0.20 -3.47 -0.29 0.00 1.68 0.00 0.00 54.58 52.30 2k0f n ASN 38 Cb 0.55 -0.67 0.12 0.00 -1.54 0.00 0.00 39.78 38.23 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2k0f s PRO 39 N -2.57 1.49 0.34 3.52 0.04 -1.26 -5.10 135.00 131.46 2k0f s PRO 39 Ca 0.40 0.04 0.08 0.00 0.04 0.00 0.00 61.00 61.56 2k0f s PRO 39 Cb 0.16 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 2k0f s PRO 39 CO -0.02 -1.91 0.23 0.95 0.04 0.00 0.00 177.00 176.29 2k0f s THR 40 N -3.57 3.22 0.37 1.26 -4.23 -1.26 -5.03 115.64 106.40 2k0f s THR 40 Ca 0.65 -1.52 0.08 0.00 -1.18 0.00 0.00 61.69 59.71 2k0f s THR 40 Cb -0.10 -3.07 0.16 0.00 1.34 0.00 0.00 72.50 70.82 2k0f s THR 40 CO 0.51 -0.16 1.90 -0.33 -0.54 0.00 0.00 174.62 175.99 2k0f h GLU 41 N 1.38 0.32 -0.28 3.99 3.07 -1.99 -1.48 114.58 119.58 2k0f h GLU 41 Ca -0.44 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.33 2k0f h GLU 41 Cb 1.25 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 2k0f h GLU 41 CO 0.61 0.43 0.12 0.00 -1.40 0.00 0.00 179.01 178.76 2k0f h ALA 42 N 1.60 0.36 -0.47 3.43 0.00 -1.98 -0.71 119.26 121.50 2k0f h ALA 42 Ca 0.06 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2k0f h ALA 42 Cb 0.37 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2k0f h ALA 42 CO 0.02 -0.05 0.23 0.93 0.00 0.00 0.00 179.25 180.38 2k0f h GLU 43 N 0.31 0.44 -0.29 0.00 5.08 -1.83 -1.11 114.58 117.18 2k0f h GLU 43 Ca 0.09 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2k0f h GLU 43 Cb 0.17 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2k0f h GLU 43 CO -0.01 0.29 0.03 -0.07 -1.00 0.00 0.00 179.01 178.25 2k0f h LEU 44 N 0.45 0.39 0.11 1.33 3.38 -1.10 -1.08 115.31 118.78 2k0f h LEU 44 Ca 0.20 -0.05 -0.27 0.00 0.09 0.00 0.00 57.88 57.85 2k0f h LEU 44 Cb 0.12 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2k0f h LEU 44 CO -0.15 0.43 -1.25 -0.61 0.09 0.00 0.00 178.44 176.95 2k0f h GLN 45 N 0.41 0.24 -0.46 1.13 5.75 -1.11 -2.85 115.11 118.22 2k0f h GLN 45 Ca 0.10 -0.40 -0.01 0.00 -0.15 0.00 0.00 58.65 58.19 2k0f h GLN 45 Cb 0.23 0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 2k0f h GLN 45 CO 0.00 1.18 0.26 0.22 -2.65 0.00 0.00 178.83 177.84 2k0f h ASP 46 N 0.06 0.57 -0.07 -0.69 3.58 -0.60 0.12 116.42 119.39 2k0f h ASP 46 Ca -0.13 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.24 2k0f h ASP 46 Cb 1.95 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 42.86 2k0f h ASP 46 CO 0.19 0.48 0.03 0.24 -2.88 0.00 0.00 179.24 177.30 2k0f h MET 47 N 0.61 0.10 -0.20 0.28 2.86 -1.31 -3.14 114.93 114.13 2k0f h MET 47 Ca 0.16 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.84 2k0f h MET 47 Cb 0.03 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.61 2k0f h MET 47 CO -0.03 0.21 -0.19 0.82 1.06 0.00 0.00 176.91 178.77 2k0f h ILE 48 N -0.03 0.49 -0.85 -1.22 2.04 -1.40 -3.21 117.51 113.34 2k0f h ILE 48 Ca 0.02 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.10 2k0f h ILE 48 Cb 0.14 0.49 -0.14 0.00 -0.74 0.00 0.00 36.82 36.57 2k0f h ILE 48 CO -0.00 0.00 0.16 0.78 0.00 0.00 0.00 178.15 179.09 2k0f h ASN 49 N -0.21 -0.12 -0.64 1.72 2.35 -0.75 0.09 115.58 118.02 2k0f h ASN 49 Ca 0.12 0.20 0.19 0.00 -0.55 0.00 0.00 56.30 56.26 2k0f h ASN 49 Cb 0.39 0.30 -0.03 0.00 0.05 0.00 0.00 38.32 39.04 2k0f h ASN 49 CO -0.33 -0.17 0.62 -0.08 -1.65 0.00 0.00 177.43 175.83 2k0f h GLU 50 N 0.17 0.00 0.00 0.81 4.57 -1.54 -2.37 114.58 116.22 2k0f h GLU 50 Ca 0.51 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.63 2k0f h GLU 50 Cb 0.99 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.57 2k0f h GLU 50 CO -0.67 0.00 -1.40 1.33 -1.18 0.00 0.00 179.01 177.09 2k0f n VAL 51 N -3.77 0.23 -2.67 0.32 0.24 -0.08 -5.02 118.33 107.57 2k0f n VAL 51 Ca 0.13 -0.23 -0.36 0.00 -2.04 0.00 0.00 64.34 61.84 2k0f n VAL 51 Cb 0.86 -0.22 -0.05 0.00 -1.47 0.00 0.00 33.84 32.95 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 -3.33 6.95 -0.02 -1.34 2.15 -0.61 -4.84 116.67 115.64 2k0f s ASP 52 Ca -0.03 1.90 -0.00 0.00 0.43 0.00 0.00 52.55 54.85 2k0f s ASP 52 Cb 0.03 -2.57 -0.01 0.00 -0.30 0.00 0.00 42.92 40.07 2k0f s ASP 52 CO 0.29 -0.35 -0.02 0.00 -0.17 0.00 0.00 175.17 174.93 2k0f n ALA 53 N -0.04 2.13 -0.13 3.66 0.00 -1.26 -4.90 120.51 119.97 2k0f n ALA 53 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2k0f n ALA 53 Cb 0.51 0.46 0.00 0.00 0.00 0.00 0.00 19.45 20.42 2k0f n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k0f n ASP 54 N -2.66 0.00 0.00 0.00 5.68 -1.26 -5.01 116.55 113.30 2k0f n ASP 54 Ca -0.03 0.78 0.00 0.00 -0.50 0.00 0.00 54.79 55.04 2k0f n ASP 54 Cb 0.53 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 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 -0.02 -0.57 0.26 6.12 0.00 -1.26 -5.01 105.19 104.71 2k0f n GLY 55 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 0.93 -1.02 1.61 0.23 -1.26 -4.94 115.26 110.80 2k0f n ASN 56 Ca 0.00 -1.00 -0.11 0.00 -0.53 0.00 0.00 54.58 52.94 2k0f n ASN 56 Cb 0.00 0.02 -0.03 0.00 -2.08 0.00 0.00 39.78 37.69 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 1.24 0.66 2.90 4.83 0.00 -1.26 -5.00 105.19 108.57 2k0f n GLY 57 Ca 0.16 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.47 -0.01 -0.23 2.61 -4.23 -1.26 -4.83 115.64 105.22 2k0f s THR 58 Ca 0.00 0.03 -0.29 0.00 -1.18 0.00 0.00 61.69 60.25 2k0f s THR 58 Cb 0.00 -0.08 -0.01 0.00 1.34 0.00 0.00 72.50 73.74 2k0f s THR 58 CO 0.00 0.01 1.37 -0.63 -0.54 0.00 0.00 174.62 174.84 2k0f s ILE 59 N 0.19 4.06 0.63 2.99 1.01 -0.84 -4.86 121.20 124.39 2k0f s ILE 59 Ca -0.01 1.24 0.06 0.00 0.00 0.00 0.00 60.65 61.93 2k0f s ILE 59 Cb -0.02 -3.97 0.10 0.00 0.01 0.00 0.00 42.46 38.57 2k0f s ILE 59 CO -0.01 -0.30 0.86 -1.81 0.00 0.00 0.00 174.94 173.68 2k0f s ASP 60 N 2.84 4.82 0.08 3.58 1.01 -1.26 0.44 116.67 128.18 2k0f s ASP 60 Ca 0.60 -0.65 -0.29 0.00 0.71 0.00 0.00 52.55 52.91 2k0f s ASP 60 Cb -0.21 0.15 -0.16 0.00 1.01 0.00 0.00 42.92 43.72 2k0f s ASP 60 CO 0.22 -1.53 1.66 0.15 0.21 0.00 0.00 175.17 175.88 2k0f h PHE 61 N -0.08 -0.60 0.00 4.23 3.04 -1.95 -2.40 116.94 119.18 2k0f h PHE 61 Ca -0.33 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.57 2k0f h PHE 61 Cb 1.28 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.99 2k0f h PHE 61 CO 0.18 -0.36 -0.22 -1.00 -2.02 0.00 0.00 178.31 174.90 2k0f h PRO 62 N -0.59 0.00 -0.40 6.41 0.13 -1.98 -1.75 132.00 133.83 2k0f h PRO 62 Ca -0.04 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.94 2k0f h PRO 62 Cb 0.48 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 2k0f h PRO 62 CO 0.05 0.22 -0.31 0.93 -0.23 0.00 0.00 178.00 178.66 2k0f h GLU 63 N 0.00 0.91 0.18 0.86 5.08 -1.89 0.86 114.58 120.58 2k0f h GLU 63 Ca -0.00 -0.45 -0.30 0.00 -1.00 0.00 0.00 59.36 57.61 2k0f h GLU 63 Cb 0.60 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.86 2k0f h GLU 63 CO 0.03 1.11 -1.34 0.35 -1.00 0.00 0.00 179.01 178.15 2k0f h PHE 64 N 0.73 0.68 0.04 4.33 3.57 -1.28 -3.17 116.94 121.84 2k0f h PHE 64 Ca 0.07 -0.49 0.03 0.00 3.53 0.00 0.00 57.97 61.11 2k0f h PHE 64 Cb 0.90 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 2k0f h PHE 64 CO 0.06 1.39 -0.28 1.25 -2.23 0.00 0.00 178.31 178.50 2k0f h LEU 65 N 0.10 -0.83 -1.44 0.59 5.85 -1.24 -3.05 115.31 115.30 2k0f h LEU 65 Ca -0.18 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 2k0f h LEU 65 Cb 2.05 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 43.40 2k0f h LEU 65 CO 0.23 -0.36 -0.27 0.74 -0.34 0.00 0.00 178.44 178.44 2k0f h THR 66 N -0.45 1.20 -0.69 1.05 2.02 -0.91 -1.01 112.91 114.11 2k0f h THR 66 Ca 0.05 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 2k0f h THR 66 Cb 0.52 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 2k0f h THR 66 CO -0.22 0.27 0.42 -0.03 0.37 0.00 0.00 175.52 176.33 2k0f h MET 67 N 0.01 0.94 0.00 6.66 1.85 -1.50 -2.60 114.93 120.29 2k0f h MET 67 Ca -0.00 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 59.00 2k0f h MET 67 Cb 0.48 -0.20 0.00 0.00 0.43 0.00 0.00 31.60 32.32 2k0f h MET 67 CO 0.04 0.67 -1.15 -1.33 -0.40 0.00 0.00 176.91 174.73 2k0f n MET 68 N -4.55 0.54 -0.10 0.39 2.00 -1.13 -4.33 117.12 109.94 2k0f n MET 68 Ca 0.06 0.04 -0.13 0.00 0.00 0.00 0.00 57.70 57.68 2k0f n MET 68 Cb 0.05 -1.73 -0.04 0.00 0.00 0.00 0.00 33.22 31.51 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k0f h ALA 69 N 2.12 0.43 -2.76 3.04 0.00 -0.78 -3.46 119.26 117.85 2k0f h ALA 69 Ca 0.00 -0.37 -0.52 0.00 0.00 0.00 0.00 54.91 54.02 2k0f h ALA 69 Cb 0.94 -0.10 0.04 0.00 0.00 0.00 0.00 17.79 18.67 2k0f h ALA 69 CO 0.00 0.40 0.59 -0.98 0.00 0.00 0.00 179.25 179.26 2k0f s ARG 70 N -4.45 4.45 -0.10 0.00 1.70 -1.19 -4.99 118.95 114.38 2k0f s ARG 70 Ca -0.13 2.01 -0.25 0.00 -0.47 0.00 0.00 55.73 56.90 2k0f s ARG 70 Cb 0.09 -3.17 -0.03 0.00 -0.57 0.00 0.00 34.95 31.27 2k0f s ARG 70 CO 0.82 -0.10 0.77 0.21 -1.08 0.00 0.00 175.30 175.91 2k0f s LYS 71 N -0.88 4.39 0.72 3.89 2.47 -1.26 -5.03 119.74 124.05 2k0f s LYS 71 Ca 0.51 0.97 -0.06 0.00 -1.56 0.00 0.00 55.97 55.83 2k0f s LYS 71 Cb -0.36 -3.50 0.09 0.00 -1.46 0.00 0.00 37.83 32.60 2k0f s LYS 71 CO 0.43 -0.10 1.03 -1.64 0.16 0.00 0.00 175.35 175.22 2k0f s MET 72 N 1.34 1.95 0.61 4.03 -1.94 -1.26 -5.14 119.30 118.89 2k0f s MET 72 Ca 0.39 -0.46 0.02 0.00 -1.71 0.00 0.00 55.69 53.93 2k0f s MET 72 Cb -0.18 -2.19 0.08 0.00 2.01 0.00 0.00 34.83 34.55 2k0f s MET 72 CO 0.17 -1.37 0.84 -1.59 -0.01 0.00 0.00 175.02 173.06 2k0f s LYS 73 N -5.26 2.20 0.06 2.03 -2.85 -1.26 -4.99 119.74 109.66 2k0f s LYS 73 Ca 0.63 -1.08 -0.26 0.00 -1.00 0.00 0.00 55.97 54.26 2k0f s LYS 73 Cb -0.09 -2.47 -0.17 0.00 -2.06 0.00 0.00 37.83 33.04 2k0f s LYS 73 CO 0.45 -0.98 1.58 -0.44 0.10 0.00 0.00 175.35 176.06 2k0f h ASP 74 N -0.10 -0.22 -0.55 0.03 3.32 -2.00 -2.71 116.42 114.18 2k0f h ASP 74 Ca -0.38 -0.08 0.11 0.00 0.02 0.00 0.00 57.03 56.70 2k0f h ASP 74 Cb 1.28 0.06 -0.10 0.00 0.22 0.00 0.00 39.33 40.79 2k0f h ASP 74 CO 0.45 -0.06 -0.07 0.74 -1.72 0.00 0.00 179.24 178.59 2k0f h THR 75 N -0.37 0.50 -0.28 0.35 2.02 -1.98 -1.27 112.91 111.88 2k0f h THR 75 Ca -0.03 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.15 2k0f h THR 75 Cb 0.29 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2k0f h THR 75 CO 0.04 0.01 0.19 0.44 0.37 0.00 0.00 175.52 176.57 2k0f h ASP 76 N 0.06 0.26 0.30 4.18 3.32 -1.95 0.11 116.42 122.69 2k0f h ASP 76 Ca 0.28 -0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.99 2k0f h ASP 76 Cb 0.43 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 2k0f h ASP 76 CO -0.52 0.18 -1.84 -1.28 -1.72 0.00 0.00 179.24 174.06 2k0f h SER 77 N 0.30 0.25 0.59 6.45 0.87 -1.21 -2.68 113.55 118.12 2k0f h SER 77 Ca 0.11 -0.55 -0.03 0.00 -1.23 0.00 0.00 61.79 60.10 2k0f h SER 77 Cb 0.08 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2k0f h SER 77 CO -0.02 1.49 -0.28 -0.08 -0.53 0.00 0.00 176.83 177.40 2k0f h GLU 78 N 0.04 -0.76 -0.62 2.24 4.81 -0.48 -2.86 114.58 116.96 2k0f h GLU 78 Ca -0.35 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 58.98 2k0f h GLU 78 Cb 2.03 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 31.54 2k0f h GLU 78 CO 0.09 -0.45 0.41 1.49 -0.73 0.00 0.00 179.01 179.82 2k0f h GLU 79 N -1.08 0.62 -0.88 1.92 4.57 -0.92 0.43 114.58 119.24 2k0f h GLU 79 Ca -0.08 -0.04 0.16 0.00 -1.18 0.00 0.00 59.36 58.23 2k0f h GLU 79 Cb 0.66 -0.14 -0.10 0.00 -0.16 0.00 0.00 28.75 29.01 2k0f h GLU 79 CO 0.13 0.41 0.46 1.49 -1.18 0.00 0.00 179.01 180.32 2k0f h GLU 80 N 0.64 0.60 -0.27 1.92 4.81 -1.43 -0.68 114.58 120.17 2k0f h GLU 80 Ca 0.26 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.35 2k0f h GLU 80 Cb 0.21 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2k0f h GLU 80 CO -0.08 0.40 -0.22 0.82 -0.73 0.00 0.00 179.01 179.20 2k0f h ILE 81 N 0.62 1.31 -0.78 2.32 2.04 -0.69 -1.46 117.51 120.87 2k0f h ILE 81 Ca 0.50 -1.37 0.02 0.00 1.00 0.00 0.00 64.86 65.01 2k0f h ILE 81 Cb 0.75 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 2k0f h ILE 81 CO -0.39 0.43 0.50 -0.09 0.00 0.00 0.00 178.15 178.61 2k0f h ARG 82 N 0.35 0.96 0.00 2.37 2.43 -1.01 -0.92 114.38 118.57 2k0f h ARG 82 Ca 0.05 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 2k0f h ARG 82 Cb 0.77 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 2k0f h ARG 82 CO 0.06 0.64 -0.80 0.93 -1.51 0.00 0.00 179.97 179.28 2k0f h GLU 83 N 0.99 0.00 -0.79 0.20 4.39 -1.09 -2.31 114.58 115.98 2k0f h GLU 83 Ca 0.30 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.96 2k0f h GLU 83 Cb -0.03 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 2k0f h GLU 83 CO -0.10 0.80 0.32 0.00 -1.16 0.00 0.00 179.01 178.87 2k0f h ALA 84 N 1.20 1.02 -0.07 3.43 0.00 -0.89 -3.18 119.26 120.77 2k0f h ALA 84 Ca -0.01 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 2k0f h ALA 84 Cb 1.45 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2k0f h ALA 84 CO 0.10 0.65 -0.51 0.35 0.00 0.00 0.00 179.25 179.84 2k0f h PHE 85 N 1.14 0.24 0.00 0.00 3.57 -1.07 -3.09 116.94 117.72 2k0f h PHE 85 Ca 0.26 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.69 2k0f h PHE 85 Cb 0.21 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.91 2k0f h PHE 85 CO 0.02 0.67 0.00 -0.09 -2.23 0.00 0.00 178.31 176.68 2k0f h ARG 86 N 0.15 0.00 0.10 1.11 2.43 -1.39 -2.24 114.38 114.53 2k0f h ARG 86 Ca 0.00 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.90 2k0f h ARG 86 Cb 0.96 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 2k0f h ARG 86 CO 0.08 0.00 -1.34 0.28 -1.51 0.00 0.00 179.97 177.47 2k0f h VAL 87 N 0.00 1.36 0.14 0.20 2.07 -1.60 -3.38 116.25 115.04 2k0f h VAL 87 Ca 0.00 -3.00 -0.01 0.00 0.82 0.00 0.00 66.70 64.52 2k0f h VAL 87 Cb 0.18 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 2k0f h VAL 87 CO 0.00 0.85 -0.07 -0.26 0.02 0.00 0.00 177.57 178.11 2k0f h PHE 88 N 0.06 -0.18 -3.01 1.57 0.04 -1.59 -3.43 116.94 110.40 2k0f h PHE 88 Ca -0.17 -0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.04 2k0f h PHE 88 Cb 1.96 0.06 -0.03 0.00 2.20 0.00 0.00 35.95 40.13 2k0f h PHE 88 CO 0.05 -0.11 0.80 0.34 -0.60 0.00 0.00 178.31 178.79 2k0f s ASP 89 N -4.47 7.01 -0.22 2.17 2.15 -0.88 -4.66 116.67 117.77 2k0f s ASP 89 Ca -0.03 1.70 -0.17 0.00 0.43 0.00 0.00 52.55 54.49 2k0f s ASP 89 Cb 0.00 -2.55 -0.12 0.00 -0.30 0.00 0.00 42.92 39.95 2k0f s ASP 89 CO 0.08 -0.67 -0.12 1.17 -0.17 0.00 0.00 175.17 175.47 2k0f n LYS 90 N 5.97 0.55 0.49 4.34 4.81 -1.26 -4.73 118.16 128.33 2k0f n LYS 90 Ca 0.12 0.41 -0.19 0.00 -0.87 0.00 0.00 58.31 57.79 2k0f n LYS 90 Cb 0.46 -1.61 -0.09 0.00 0.02 0.00 0.00 35.03 33.81 2k0f n LYS 90 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 2k0f h ASP 91 N -1.00 -1.05 0.00 3.14 3.04 -1.95 -3.47 116.42 115.13 2k0f h ASP 91 Ca -0.37 0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 2k0f h ASP 91 Cb 1.25 0.27 0.00 0.00 -1.04 0.00 0.00 39.33 39.81 2k0f h ASP 91 CO -0.23 -0.73 0.00 0.61 -2.04 0.00 0.00 179.24 176.85 2k0f n GLY 92 N -1.51 1.34 0.11 7.15 0.00 -1.26 -5.02 105.19 105.99 2k0f n GLY 92 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 -1.07 -1.96 -3.48 115.58 110.68 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.67 0.00 0.61 0.07 0.00 0.00 177.43 178.78 2k0f n GLY 94 N 1.30 0.60 3.15 9.14 0.00 -1.26 -5.04 105.19 113.07 2k0f n GLY 94 Ca -0.01 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 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 2.78 -0.09 1.61 2.02 -1.26 -4.52 117.35 115.89 2k0f s TYR 95 Ca 0.00 -1.54 -0.30 0.00 -0.37 0.00 0.00 57.07 54.87 2k0f s TYR 95 Cb 0.00 -1.93 -0.03 0.00 -0.40 0.00 0.00 41.96 39.60 2k0f s TYR 95 CO 0.00 -0.76 1.34 0.42 -1.57 0.00 0.00 175.55 174.98 2k0f s ILE 96 N 1.24 4.05 0.60 2.71 1.01 -0.53 -4.87 121.20 125.42 2k0f s ILE 96 Ca 0.04 1.33 -0.01 0.00 0.00 0.00 0.00 60.65 62.00 2k0f s ILE 96 Cb -0.13 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.52 2k0f s ILE 96 CO -0.11 -0.07 0.86 -0.94 0.00 0.00 0.00 174.94 174.68 2k0f s SER 97 N 2.08 5.10 0.16 3.58 1.04 -1.26 -2.47 113.70 121.94 2k0f s SER 97 Ca 0.60 0.13 -0.12 0.00 0.48 0.00 0.00 55.95 57.03 2k0f s SER 97 Cb -0.26 -0.92 0.04 0.00 0.10 0.00 0.00 66.02 64.98 2k0f s SER 97 CO 0.21 -1.31 1.65 0.00 0.98 0.00 0.00 173.24 174.77 2k0f h ALA 98 N -0.16 0.72 -0.29 5.32 0.00 -1.94 -2.81 119.26 120.10 2k0f h ALA 98 Ca -0.43 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.31 2k0f h ALA 98 Cb 1.30 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 2k0f h ALA 98 CO 0.54 0.45 -0.28 0.00 0.00 0.00 0.00 179.25 179.96 2k0f h ALA 99 N 0.99 -0.18 -0.34 0.00 0.00 -1.98 0.90 119.26 118.66 2k0f h ALA 99 Ca 0.17 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.20 2k0f h ALA 99 Cb 0.40 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2k0f h ALA 99 CO 0.01 -0.71 0.11 0.93 0.00 0.00 0.00 179.25 179.59 2k0f h GLU 100 N -0.27 0.24 -0.41 0.00 5.08 -1.87 0.11 114.58 117.46 2k0f h GLU 100 Ca 0.15 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2k0f h GLU 100 Cb 0.50 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2k0f h GLU 100 CO -0.44 0.16 0.23 1.25 -1.00 0.00 0.00 179.01 179.20 2k0f h LEU 101 N 0.24 0.51 -0.36 1.33 5.85 -1.37 -2.85 115.31 118.67 2k0f h LEU 101 Ca 0.16 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.87 2k0f h LEU 101 Cb 0.15 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 40.96 2k0f h LEU 101 CO -0.18 0.45 -0.26 -0.09 -0.34 0.00 0.00 178.44 178.03 2k0f h ARG 102 N 0.54 -0.20 -0.40 1.25 2.43 -0.55 0.36 114.38 117.81 2k0f h ARG 102 Ca 0.15 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 2k0f h ARG 102 Cb 0.05 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 2k0f h ARG 102 CO -0.02 -0.14 0.19 1.25 -1.51 0.00 0.00 179.97 179.74 2k0f h HIS 103 N -0.21 0.34 -0.38 2.20 2.76 -1.03 0.21 115.15 119.05 2k0f h HIS 103 Ca 0.17 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 2k0f h HIS 103 Cb 0.49 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 2k0f h HIS 103 CO -0.47 0.17 0.08 0.28 -1.30 0.00 0.00 177.93 176.69 2k0f h VAL 104 N 0.38 1.23 -0.06 5.26 2.07 -1.21 0.16 116.25 124.08 2k0f h VAL 104 Ca 0.17 -0.81 -0.16 0.00 0.82 0.00 0.00 66.70 66.72 2k0f h VAL 104 Cb 0.10 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2k0f h VAL 104 CO -0.13 0.28 -0.68 -0.03 0.02 0.00 0.00 177.57 177.02 2k0f h MET 105 N 0.46 0.27 -0.15 1.57 -1.53 0.07 -2.18 114.93 113.44 2k0f h MET 105 Ca 0.12 -0.21 0.05 0.00 -3.44 0.00 0.00 59.70 56.22 2k0f h MET 105 Cb 0.33 0.04 -0.06 0.00 -0.55 0.00 0.00 31.60 31.37 2k0f h MET 105 CO 0.00 0.85 -0.20 1.15 0.14 0.00 0.00 176.91 178.85 2k0f h THR 106 N 0.19 0.48 -0.96 -0.77 2.02 -0.07 -2.63 112.91 111.17 2k0f h THR 106 Ca -0.02 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.36 2k0f h THR 106 Cb 1.22 0.48 -0.11 0.00 -1.74 0.00 0.00 68.15 68.01 2k0f h THR 106 CO 0.11 0.00 0.53 0.78 0.37 0.00 0.00 175.52 177.31 2k0f h ASN 107 N -0.25 0.63 0.24 4.18 2.35 -0.49 -1.27 115.58 120.96 2k0f h ASN 107 Ca 0.11 0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.94 2k0f h ASN 107 Cb 0.40 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 2k0f h ASN 107 CO -0.30 0.17 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.42 2k0f h LEU 108 N 0.63 0.00 0.00 1.61 3.38 -1.09 -3.44 115.31 116.39 2k0f h LEU 108 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.54 2k0f h LEU 108 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2k0f h LEU 108 CO -0.43 0.17 0.00 0.61 0.09 0.00 0.00 178.44 178.88 2k0f n GLY 109 N -0.90 1.85 3.75 0.83 0.00 -0.48 -4.76 105.19 105.47 2k0f n GLY 109 Ca -0.02 0.00 -0.26 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 -0.47 2.71 0.24 1.61 0.41 -1.08 -5.03 118.70 117.09 2k0f s GLU 110 Ca 0.00 -1.00 -0.08 0.00 -0.41 0.00 0.00 54.97 53.48 2k0f s GLU 110 Cb 0.00 -2.52 -0.07 0.00 -1.78 0.00 0.00 34.13 29.77 2k0f s GLU 110 CO 0.00 0.46 0.54 -1.59 -0.49 0.00 0.00 175.26 174.17 2k0f s LYS 111 N -3.18 3.74 -0.30 1.61 0.00 -1.26 -3.98 119.74 116.36 2k0f s LYS 111 Ca 0.30 0.18 -0.08 0.00 0.00 0.00 0.00 55.97 56.37 2k0f s LYS 111 Cb -0.09 -2.66 0.16 0.00 0.00 0.00 0.00 37.83 35.24 2k0f s LYS 111 CO 0.22 0.30 0.74 -1.17 0.00 0.00 0.00 175.35 175.44 2k0f s LEU 112 N -3.00 -1.06 0.00 2.77 2.96 -1.26 -5.02 118.68 114.08 2k0f s LEU 112 Ca 0.46 1.04 0.05 0.00 -0.22 0.00 0.00 54.13 55.46 2k0f s LEU 112 Cb -0.11 2.04 0.05 0.00 0.50 0.00 0.00 46.19 48.67 2k0f s LEU 112 CO 0.24 -0.20 0.43 0.35 -1.32 0.00 0.00 176.35 175.85 2k0f n THR 113 N 5.36 0.00 0.20 3.68 -2.24 -1.26 -4.90 114.28 115.13 2k0f n THR 113 Ca -0.07 -1.08 0.11 0.00 -2.27 0.00 0.00 64.05 60.74 2k0f n THR 113 Cb 0.51 -0.69 0.14 0.00 -2.10 0.00 0.00 70.33 68.18 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 0.08 0.00 0.00 3.42 3.32 -2.02 -1.02 116.42 120.20 2k0f h ASP 114 Ca -0.15 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 2k0f h ASP 114 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 2k0f h ASP 114 CO 0.22 0.04 -0.00 -0.08 -1.72 0.00 0.00 179.24 177.70 2k0f h GLU 115 N 0.00 -0.00 -0.66 3.56 4.81 -2.01 -3.31 114.58 116.97 2k0f h GLU 115 Ca -0.00 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.37 2k0f h GLU 115 Cb 1.03 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.31 2k0f h GLU 115 CO 0.00 -0.00 0.09 0.93 -0.73 0.00 0.00 179.01 179.30 2k0f h GLU 116 N -0.00 0.19 -0.63 1.92 5.08 -1.93 -1.87 114.58 117.34 2k0f h GLU 116 Ca -0.00 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2k0f h GLU 116 Cb 0.00 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 2k0f h GLU 116 CO 0.00 0.13 0.34 -0.24 -1.00 0.00 0.00 179.01 178.24 2k0f h VAL 117 N 0.20 0.97 0.11 3.13 3.04 -1.39 -2.24 116.25 120.07 2k0f h VAL 117 Ca 0.36 -0.22 -0.01 0.00 -1.01 0.00 0.00 66.70 65.82 2k0f h VAL 117 Cb 0.59 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 2k0f h VAL 117 CO -0.50 0.12 -0.05 -0.78 -1.01 0.00 0.00 177.57 175.34 2k0f h ASP 118 N 0.64 -0.12 -0.87 3.17 3.58 -1.43 -1.33 116.42 120.05 2k0f h ASP 118 Ca 0.28 -0.13 0.11 0.00 0.42 0.00 0.00 57.03 57.70 2k0f h ASP 118 Cb 0.16 0.03 -0.08 0.00 1.72 0.00 0.00 39.33 41.17 2k0f h ASP 118 CO -0.17 0.06 0.51 -0.08 -2.88 0.00 0.00 179.24 176.68 2k0f h GLU 119 N -0.30 0.81 -0.15 0.28 4.81 -1.56 -2.99 114.58 115.48 2k0f h GLU 119 Ca -0.01 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 2k0f h GLU 119 Cb 0.25 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2k0f h GLU 119 CO 0.02 0.53 -0.09 1.98 -0.73 0.00 0.00 179.01 180.73 2k0f h MET 120 N 0.83 0.32 -0.20 1.92 4.05 -1.05 -2.14 114.93 118.67 2k0f h MET 120 Ca 0.43 -0.15 0.05 0.00 -0.28 0.00 0.00 59.70 59.75 2k0f h MET 120 Cb 0.42 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.15 2k0f h MET 120 CO -0.26 0.66 -0.36 0.82 0.23 0.00 0.00 176.91 178.00 2k0f h ILE 121 N -0.02 0.21 0.00 1.77 1.08 -1.13 -2.69 117.51 116.73 2k0f h ILE 121 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.50 2k0f h ILE 121 Cb 0.57 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 2k0f h ILE 121 CO 0.03 0.00 0.00 -0.09 -0.69 0.00 0.00 178.15 177.40 2k0f h ARG 122 N -0.40 0.00 -0.46 2.37 2.43 -1.35 -2.66 114.38 114.31 2k0f h ARG 122 Ca 0.11 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 2k0f h ARG 122 Cb 0.58 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 2k0f h ARG 122 CO -0.42 0.00 0.08 1.49 -1.51 0.00 0.00 179.97 179.62 2k0f h GLU 123 N 0.00 0.70 0.03 0.20 4.81 -1.04 -2.77 114.58 116.51 2k0f h GLU 123 Ca 0.00 -0.14 -0.25 0.00 -0.13 0.00 0.00 59.36 58.84 2k0f h GLU 123 Cb 0.51 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 2k0f h GLU 123 CO 0.00 0.66 -1.30 0.00 -0.73 0.00 0.00 179.01 177.64 2k0f h ALA 124 N 1.42 0.44 -2.80 2.92 0.00 -1.56 -3.47 119.26 116.20 2k0f h ALA 124 Ca 0.15 -1.10 -0.52 0.00 0.00 0.00 0.00 54.91 53.44 2k0f h ALA 124 Cb 0.29 0.10 0.05 0.00 0.00 0.00 0.00 17.79 18.24 2k0f h ALA 124 CO 0.00 1.31 0.66 0.34 0.00 0.00 0.00 179.25 181.56 2k0f s ASP 125 N -6.61 6.79 -0.12 0.00 2.15 -1.05 -4.81 116.67 113.02 2k0f s ASP 125 Ca -0.03 2.61 -0.07 0.00 0.43 0.00 0.00 52.55 55.49 2k0f s ASP 125 Cb 0.09 -2.63 -0.05 0.00 -0.30 0.00 0.00 42.92 40.02 2k0f s ASP 125 CO 0.83 -0.56 -0.17 -0.38 -0.17 0.00 0.00 175.17 174.72 2k0f n ILE 126 N 1.56 0.83 0.05 4.11 2.08 -1.26 -4.87 119.36 121.86 2k0f n ILE 126 Ca 0.03 -0.12 -0.03 0.00 0.56 0.00 0.00 62.75 63.19 2k0f n ILE 126 Cb 0.42 -1.72 -0.01 0.00 -0.75 0.00 0.00 39.64 37.57 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 2k0f h ASP 127 N -0.48 -0.16 0.00 4.38 3.04 -1.93 -3.49 116.42 117.77 2k0f h ASP 127 Ca -0.29 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.51 2k0f h ASP 127 Cb 1.18 0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.51 2k0f h ASP 127 CO -0.18 0.14 0.00 0.61 -2.04 0.00 0.00 179.24 177.77 2k0f n GLY 128 N 1.14 -0.57 0.19 7.15 0.00 -1.26 -5.06 105.19 106.78 2k0f n GLY 128 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 2k0f n GLY 128 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 129 N 0.00 0.00 0.00 1.61 3.04 -1.98 -3.47 116.42 115.62 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 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 0.23 0.00 0.61 -2.04 0.00 0.00 179.24 178.04 2k0f n GLY 130 N 1.08 0.72 3.01 7.15 0.00 -1.26 -5.06 105.19 110.83 2k0f n GLY 130 Ca 0.03 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.73 1.65 -0.34 1.61 -0.21 -1.26 -4.81 119.66 115.57 2k0f s GLN 131 Ca 0.00 -0.39 -0.21 0.00 0.02 0.00 0.00 55.36 54.79 2k0f s GLN 131 Cb 0.00 -1.40 -0.00 0.00 1.00 0.00 0.00 33.01 32.61 2k0f s GLN 131 CO 0.00 -0.00 0.66 0.08 -2.12 0.00 0.00 175.29 173.91 2k0f s VAL 132 N 0.77 4.88 0.00 1.09 1.01 -1.03 -4.86 120.40 122.26 2k0f s VAL 132 Ca -0.13 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2k0f s VAL 132 Cb -0.15 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2k0f s VAL 132 CO 0.02 -0.27 0.00 -0.46 0.00 0.00 0.00 175.10 174.40 2k0f n ASN 133 N 6.05 0.00 -0.05 3.32 0.23 -1.26 -1.46 115.26 122.09 2k0f n ASN 133 Ca -0.00 -0.48 -0.14 0.00 -0.53 0.00 0.00 54.58 53.42 2k0f n ASN 133 Cb 0.49 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.06 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 -0.11 0.04 -0.47 -2.53 5.03 -1.98 -1.35 116.97 115.61 2k0f h TYR 134 Ca 0.00 -0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.38 2k0f h TYR 134 Cb 0.00 -0.00 -0.08 0.00 1.55 0.00 0.00 36.73 38.20 2k0f h TYR 134 CO 0.00 0.87 0.00 1.49 -1.32 0.00 0.00 178.16 179.21 2k0f h GLU 135 N -0.81 0.11 -0.87 1.82 4.81 -1.98 -1.83 114.58 115.83 2k0f h GLU 135 Ca -0.01 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 135 Cb 0.89 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.20 2k0f h GLU 135 CO 0.01 0.07 0.52 0.93 -0.73 0.00 0.00 179.01 179.82 2k0f h GLU 136 N 0.11 1.18 0.22 1.92 5.08 -1.88 -2.38 114.58 118.82 2k0f h GLU 136 Ca 0.23 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2k0f h GLU 136 Cb 0.34 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2k0f h GLU 136 CO -0.39 0.82 -0.34 0.35 -1.00 0.00 0.00 179.01 178.46 2k0f h PHE 137 N 1.20 -0.92 -0.69 4.33 3.04 -0.81 -2.52 116.94 120.56 2k0f h PHE 137 Ca 0.31 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.23 2k0f h PHE 137 Cb -0.05 0.38 -0.03 0.00 2.56 0.00 0.00 35.95 38.80 2k0f h PHE 137 CO 0.00 -0.46 0.27 0.28 -2.02 0.00 0.00 178.31 176.38 2k0f h VAL 138 N -0.63 1.25 0.00 1.41 2.07 -1.02 -2.57 116.25 116.76 2k0f h VAL 138 Ca 0.01 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 2k0f h VAL 138 Cb 0.61 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2k0f h VAL 138 CO -0.14 0.31 -0.22 1.56 0.02 0.00 0.00 177.57 179.11 2k0f h GLN 139 N 0.99 0.00 -0.48 1.57 4.20 -1.36 -2.57 115.11 117.46 2k0f h GLN 139 Ca 0.23 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.85 2k0f h GLN 139 Cb 0.22 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2k0f h GLN 139 CO -0.02 0.22 -0.06 1.98 -0.67 0.00 0.00 178.83 180.28 2k0f h MET 140 N 0.00 0.84 0.12 1.46 4.05 -1.04 -3.12 114.93 117.24 2k0f h MET 140 Ca -0.00 -0.26 -0.30 0.00 -0.28 0.00 0.00 59.70 58.85 2k0f h MET 140 Cb 0.52 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 2k0f h MET 140 CO 0.03 0.88 -1.50 0.52 0.23 0.00 0.00 176.91 177.07 2k0f h MET 141 N 0.77 0.25 0.00 0.39 2.86 -1.31 -3.52 114.93 114.37 2k0f h MET 141 Ca 0.14 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 2k0f h MET 141 Cb 0.55 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.37 2k0f h MET 141 CO 0.03 1.12 0.00 0.25 1.06 0.00 0.00 176.91 179.37