#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k61 s LEU 4 N 0.00 4.02 0.35 1.08 2.96 -1.26 -5.04 118.68 120.80 2k61 s LEU 4 Ca 0.00 0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 54.13 2k61 s LEU 4 Cb 0.00 -3.19 -0.05 0.00 0.50 0.00 0.00 46.19 43.45 2k61 s LEU 4 CO 0.00 -0.96 0.61 0.42 -1.32 0.00 0.00 176.35 175.10 2k61 s THR 5 N 3.60 5.00 0.31 3.68 -4.23 -1.26 -4.98 115.64 117.76 2k61 s THR 5 Ca 0.37 0.02 0.04 0.00 -1.18 0.00 0.00 61.69 60.93 2k61 s THR 5 Cb -0.11 -3.79 0.30 0.00 1.34 0.00 0.00 72.50 70.24 2k61 s THR 5 CO 0.23 -0.49 1.86 -0.33 -0.54 0.00 0.00 174.62 175.35 2k61 h GLU 6 N 1.17 0.86 -0.81 3.99 5.08 -1.99 -1.60 114.58 121.28 2k61 h GLU 6 Ca -0.48 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 57.85 2k61 h GLU 6 Cb 1.20 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.21 2k61 h GLU 6 CO 0.64 0.57 0.53 1.49 -1.00 0.00 0.00 179.01 181.24 2k61 h GLU 7 N 0.89 1.02 -0.42 2.33 4.57 -2.00 -1.85 114.58 119.12 2k61 h GLU 7 Ca 0.46 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.49 2k61 h GLU 7 Cb 0.53 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2k61 h GLU 7 CO -0.23 0.68 -0.08 1.96 -1.18 0.00 0.00 179.01 180.15 2k61 h GLN 8 N 1.05 0.81 -0.58 1.92 4.20 -1.70 -2.87 115.11 117.94 2k61 h GLN 8 Ca 0.31 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2k61 h GLN 8 Cb -0.05 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 2k61 h GLN 8 CO -0.09 0.92 0.33 0.82 -0.67 0.00 0.00 178.83 180.14 2k61 h ILE 9 N 0.63 1.17 -0.31 2.54 2.04 -1.08 -1.68 117.51 120.82 2k61 h ILE 9 Ca 0.11 -0.40 -0.11 0.00 1.00 0.00 0.00 64.86 65.46 2k61 h ILE 9 Cb 0.61 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2k61 h ILE 9 CO 0.04 0.18 -0.27 0.00 0.00 0.00 0.00 178.15 178.10 2k61 h ALA 10 N 1.57 0.96 0.00 1.87 0.00 -1.20 -1.23 119.26 121.23 2k61 h ALA 10 Ca 0.21 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2k61 h ALA 10 Cb -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2k61 h ALA 10 CO -0.04 0.60 -0.61 0.93 0.00 0.00 0.00 179.25 180.14 2k61 h GLU 11 N 0.54 0.00 0.04 0.00 5.08 -1.20 -3.10 114.58 115.92 2k61 h GLU 11 Ca 0.07 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.20 2k61 h GLU 11 Cb 0.74 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.01 2k61 h GLU 11 CO 0.06 0.61 -0.91 0.74 -1.00 0.00 0.00 179.01 178.51 2k61 h PHE 12 N 0.00 0.85 -0.51 4.33 0.04 -1.08 -3.26 116.94 117.31 2k61 h PHE 12 Ca -0.01 -0.49 0.06 0.00 2.80 0.00 0.00 57.97 60.33 2k61 h PHE 12 Cb 1.17 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 39.21 2k61 h PHE 12 CO 0.00 1.32 0.34 -0.22 -0.60 0.00 0.00 178.31 179.16 2k61 h LYS 13 N 0.13 0.45 -0.83 1.51 3.64 -1.24 -1.67 116.57 118.57 2k61 h LYS 13 Ca -0.12 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 2k61 h LYS 13 Cb 1.60 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.28 2k61 h LYS 13 CO 0.18 0.30 0.45 0.93 -2.27 0.00 0.00 179.45 179.03 2k61 h GLU 14 N 0.47 1.17 -0.27 1.90 5.08 -1.58 -2.28 114.58 119.06 2k61 h GLU 14 Ca 0.22 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 2k61 h GLU 14 Cb 0.28 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2k61 h GLU 14 CO -0.06 0.86 -0.18 0.00 -1.00 0.00 0.00 179.01 178.63 2k61 h ALA 15 N 1.32 0.39 -0.94 3.43 0.00 -1.40 -2.98 119.26 119.08 2k61 h ALA 15 Ca 0.29 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2k61 h ALA 15 Cb 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2k61 h ALA 15 CO -0.05 0.32 0.61 0.35 0.00 0.00 0.00 179.25 180.48 2k61 h PHE 16 N 0.34 1.09 0.00 0.00 3.57 -1.24 -0.70 116.94 120.00 2k61 h PHE 16 Ca 0.05 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 2k61 h PHE 16 Cb 0.72 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 2k61 h PHE 16 CO 0.07 0.55 -0.13 0.77 -2.23 0.00 0.00 178.31 177.34 2k61 h SER 17 N 1.05 0.00 0.38 0.41 0.02 -1.35 -2.22 113.55 111.84 2k61 h SER 17 Ca 0.41 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 61.05 2k61 h SER 17 Cb 0.24 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.79 2k61 h SER 17 CO -0.17 0.13 -1.51 0.25 -1.14 0.00 0.00 176.83 174.40 2k61 h LEU 18 N 0.00 0.58 -0.34 5.07 5.85 -1.01 -3.34 115.31 122.12 2k61 h LEU 18 Ca -0.00 -0.72 -0.15 0.00 0.84 0.00 0.00 57.88 57.86 2k61 h LEU 18 Cb 0.59 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2k61 h LEU 18 CO 0.02 1.58 -0.35 -0.26 -0.34 0.00 0.00 178.44 179.09 2k61 h PHE 19 N 0.10 1.02 -3.02 1.25 -1.00 -1.16 -3.41 116.94 110.71 2k61 h PHE 19 Ca -0.25 -0.31 -0.57 0.00 2.81 0.00 0.00 57.97 59.66 2k61 h PHE 19 Cb 2.07 -0.21 -0.04 0.00 3.61 0.00 0.00 35.95 41.38 2k61 h PHE 19 CO 0.09 1.11 1.14 -0.51 -1.61 0.00 0.00 178.31 178.53 2k61 s ASP 20 N -6.73 6.21 -0.03 2.17 1.11 -0.85 -4.71 116.67 113.85 2k61 s ASP 20 Ca -0.12 1.08 -0.20 0.00 0.18 0.00 0.00 52.55 53.49 2k61 s ASP 20 Cb 0.10 -2.53 -0.33 0.00 1.07 0.00 0.00 42.92 41.23 2k61 s ASP 20 CO 0.86 -1.49 0.91 0.11 1.18 0.00 0.00 175.17 176.74 2k61 h LYS 21 N 11.37 0.37 -0.00 8.23 1.79 -1.86 -3.35 116.57 133.11 2k61 h LYS 21 Ca -0.30 -0.63 0.00 0.00 -2.18 0.00 0.00 60.65 57.54 2k61 h LYS 21 Cb 1.13 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 2k61 h LYS 21 CO 1.06 1.30 -0.71 -0.40 -1.08 0.00 0.00 179.45 179.61 2k61 n ASP 22 N -4.00 1.20 -3.14 0.86 5.75 -1.26 -5.02 116.55 110.93 2k61 n ASP 22 Ca -0.15 -1.10 -0.10 0.00 -0.01 0.00 0.00 54.79 53.43 2k61 n ASP 22 Cb 0.91 0.82 0.05 0.00 -1.03 0.00 0.00 41.12 41.86 2k61 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k61 n GLY 23 N 1.39 -1.15 0.28 6.12 0.00 -1.26 -4.95 105.19 105.62 2k61 n GLY 23 Ca 0.05 0.53 0.10 0.00 0.00 0.00 0.00 46.02 46.70 2k61 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k61 n ASP 24 N -2.70 1.53 0.00 1.61 5.75 -1.26 -4.97 116.55 116.52 2k61 n ASP 24 Ca -0.05 -1.27 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 2k61 n ASP 24 Cb 0.58 0.69 0.00 0.00 -1.03 0.00 0.00 41.12 41.36 2k61 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k61 n GLY 25 N 1.41 1.40 3.34 6.12 0.00 -1.26 -5.07 105.19 111.13 2k61 n GLY 25 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 2k61 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k61 s THR 26 N -2.29 1.71 -0.25 2.61 -4.23 -1.26 -2.82 115.64 109.10 2k61 s THR 26 Ca 0.00 -2.20 0.02 0.00 -1.18 0.00 0.00 61.69 58.33 2k61 s THR 26 Cb 0.00 -2.03 0.05 0.00 1.34 0.00 0.00 72.50 71.86 2k61 s THR 26 CO 0.00 -0.60 -0.12 -0.63 -0.54 0.00 0.00 174.62 172.73 2k61 s ILE 27 N -2.97 2.21 0.80 2.99 1.01 0.13 -4.83 121.20 120.54 2k61 s ILE 27 Ca 0.22 -1.50 -0.08 0.00 0.00 0.00 0.00 60.65 59.28 2k61 s ILE 27 Cb -0.01 -2.24 0.13 0.00 0.01 0.00 0.00 42.46 40.35 2k61 s ILE 27 CO 0.06 0.06 1.12 0.42 0.00 0.00 0.00 174.94 176.60 2k61 s THR 28 N 1.14 2.13 0.41 2.92 -4.23 -1.26 -1.59 115.64 115.17 2k61 s THR 28 Ca -0.06 -0.26 0.21 0.00 -1.18 0.00 0.00 61.69 60.39 2k61 s THR 28 Cb -0.19 -2.87 0.22 0.00 1.34 0.00 0.00 72.50 71.00 2k61 s THR 28 CO -0.06 0.00 2.00 0.71 -0.54 0.00 0.00 174.62 176.73 2k61 h THR 29 N -0.95 0.86 -0.13 3.99 1.35 -1.88 -1.28 112.91 114.87 2k61 h THR 29 Ca -0.42 -0.69 -0.04 0.00 -0.55 0.00 0.00 66.41 64.71 2k61 h THR 29 Cb 1.28 1.40 -0.00 0.00 -1.73 0.00 0.00 68.15 69.09 2k61 h THR 29 CO 0.47 0.18 -0.09 0.50 -0.25 0.00 0.00 175.52 176.33 2k61 h LYS 30 N 0.00 0.29 -0.13 4.72 3.11 -1.97 -2.20 116.57 120.38 2k61 h LYS 30 Ca -0.00 -0.14 -0.17 0.00 -2.81 0.00 0.00 60.65 57.53 2k61 h LYS 30 Cb 0.39 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.61 2k61 h LYS 30 CO 0.02 0.65 -0.64 0.93 -2.81 0.00 0.00 179.45 177.60 2k61 h GLU 31 N -0.08 0.49 -0.63 1.90 5.08 -1.83 -2.89 114.58 116.63 2k61 h GLU 31 Ca 0.03 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 57.99 2k61 h GLU 31 Cb 0.58 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 2k61 h GLU 31 CO 0.02 0.97 0.19 1.25 -1.00 0.00 0.00 179.01 180.44 2k61 h LEU 32 N 0.36 0.89 0.00 1.33 5.85 -1.25 -2.73 115.31 119.75 2k61 h LEU 32 Ca -0.01 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2k61 h LEU 32 Cb 1.20 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2k61 h LEU 32 CO 0.11 0.84 -0.05 1.23 -0.34 0.00 0.00 178.44 180.23 2k61 h GLY 33 N 1.03 0.00 0.96 3.75 0.00 -1.35 -3.09 103.07 104.37 2k61 h GLY 33 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.40 2k61 h GLY 33 CO -0.01 0.00 -0.40 -0.84 0.00 0.00 0.00 176.54 175.29 2k61 h THR 34 N 0.00 1.32 0.03 4.70 2.02 -1.27 -2.27 112.91 117.44 2k61 h THR 34 Ca 0.00 -1.62 -0.26 0.00 0.77 0.00 0.00 66.41 65.30 2k61 h THR 34 Cb 0.78 1.82 0.02 0.00 -1.74 0.00 0.00 68.15 69.02 2k61 h THR 34 CO 0.00 0.51 -1.06 0.58 0.37 0.00 0.00 175.52 175.92 2k61 h VAL 35 N 0.35 1.33 0.00 3.16 2.07 -1.63 -3.22 116.25 118.31 2k61 h VAL 35 Ca 0.01 -2.40 -0.04 0.00 0.82 0.00 0.00 66.70 65.09 2k61 h VAL 35 Cb 1.00 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 2k61 h VAL 35 CO 0.09 0.73 -0.19 0.24 0.02 0.00 0.00 177.57 178.45 2k61 h MET 36 N 0.30 0.00 -0.31 1.57 2.86 -1.59 -2.85 114.93 114.91 2k61 h MET 36 Ca -0.12 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 2k61 h MET 36 Cb 1.71 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.36 2k61 h MET 36 CO 0.20 0.19 0.06 -0.09 1.06 0.00 0.00 176.91 178.33 2k61 h ARG 37 N 0.00 0.51 0.00 1.72 9.65 -1.41 -2.35 114.38 122.50 2k61 h ARG 37 Ca -0.00 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 2k61 h ARG 37 Cb 0.35 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 2k61 h ARG 37 CO 0.03 0.59 0.00 -1.13 2.80 0.00 0.00 179.97 182.26 2k61 n SER 38 N -4.63 0.00 -0.73 -3.80 3.41 -1.09 -2.40 113.62 104.37 2k61 n SER 38 Ca -0.02 0.19 0.07 0.00 -0.26 0.00 0.00 58.87 58.86 2k61 n SER 38 Cb 0.20 -0.37 0.22 0.00 -0.26 0.00 0.00 64.21 64.01 2k61 n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2k61 n LEU 39 N -1.37 2.13 0.00 1.04 4.77 -0.92 -4.85 117.00 117.81 2k61 n LEU 39 Ca 0.07 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 2k61 n LEU 39 Cb 0.18 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2k61 n LEU 39 CO 0.16 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2k61 n GLY 40 N 1.16 0.77 3.88 -0.72 0.00 -1.01 -4.83 105.19 104.43 2k61 n GLY 40 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2k61 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k61 s GLN 41 N -0.30 3.16 -0.44 1.61 -0.21 -1.01 -5.06 119.66 117.42 2k61 s GLN 41 Ca 0.00 -0.81 0.05 0.00 0.02 0.00 0.00 55.36 54.62 2k61 s GLN 41 Cb 0.00 -2.76 0.18 0.00 1.00 0.00 0.00 33.01 31.43 2k61 s GLN 41 CO 0.00 0.47 0.38 -1.71 -2.12 0.00 0.00 175.29 172.31 2k61 n ASN 42 N -0.76 -0.06 -4.81 5.90 5.15 -1.26 -3.82 115.26 115.59 2k61 n ASN 42 Ca -0.08 -2.50 -0.35 0.00 -0.60 0.00 0.00 54.58 51.05 2k61 n ASN 42 Cb 0.56 -0.58 -0.06 0.00 -0.53 0.00 0.00 39.78 39.16 2k61 n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2k61 s PRO 43 N -0.26 4.31 0.71 1.20 0.04 -1.26 -5.08 135.00 134.66 2k61 s PRO 43 Ca 0.33 1.01 -0.05 0.00 0.04 0.00 0.00 61.00 62.33 2k61 s PRO 43 Cb 0.05 -2.71 0.15 0.00 0.04 0.00 0.00 34.50 32.03 2k61 s PRO 43 CO -0.18 0.28 0.98 0.25 0.04 0.00 0.00 177.00 178.36 2k61 n THR 44 N 0.36 0.00 -0.09 1.26 -2.24 -1.26 -4.87 114.28 107.45 2k61 n THR 44 Ca 0.01 -1.24 -0.10 0.00 -2.27 0.00 0.00 64.05 60.45 2k61 n THR 44 Cb 0.51 -1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 67.58 2k61 n THR 44 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2k61 h GLU 45 N 0.00 0.42 -0.51 -0.78 4.57 -1.98 -1.34 114.58 114.96 2k61 h GLU 45 Ca -0.32 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 57.72 2k61 h GLU 45 Cb 1.07 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 2k61 h GLU 45 CO 0.30 0.48 0.11 0.00 -1.18 0.00 0.00 179.01 178.71 2k61 h ALA 46 N 0.92 1.23 -0.34 2.92 0.00 -2.00 -2.40 119.26 119.58 2k61 h ALA 46 Ca 0.09 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2k61 h ALA 46 Cb 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k61 h ALA 46 CO -0.00 0.53 -0.40 0.93 0.00 0.00 0.00 179.25 180.31 2k61 h GLU 47 N 0.75 0.87 0.00 0.00 5.08 -1.90 -2.96 114.58 116.43 2k61 h GLU 47 Ca 0.17 -0.48 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 2k61 h GLU 47 Cb 0.30 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2k61 h GLU 47 CO 0.00 1.13 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.85 2k61 h LEU 48 N 0.67 0.00 -0.19 1.33 3.38 -1.05 -2.52 115.31 116.92 2k61 h LEU 48 Ca 0.05 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 2k61 h LEU 48 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2k61 h LEU 48 CO 0.10 0.22 -0.46 -0.61 0.09 0.00 0.00 178.44 177.78 2k61 h GLN 49 N 0.00 0.65 -0.35 1.13 5.75 -1.31 -3.00 115.11 117.98 2k61 h GLN 49 Ca -0.00 -0.44 -0.07 0.00 -0.15 0.00 0.00 58.65 57.98 2k61 h GLN 49 Cb 0.46 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 2k61 h GLN 49 CO 0.03 1.06 -0.09 -0.44 -2.65 0.00 0.00 178.83 176.74 2k61 h ASP 50 N 0.33 0.57 -0.20 -0.69 3.32 -1.34 -2.33 116.42 116.07 2k61 h ASP 50 Ca -0.00 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 2k61 h ASP 50 Cb 1.07 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 2k61 h ASP 50 CO 0.10 0.70 -0.04 0.24 -1.72 0.00 0.00 179.24 178.52 2k61 h MET 51 N 0.55 0.52 -0.03 3.56 2.86 -1.45 -2.78 114.93 118.16 2k61 h MET 51 Ca 0.10 -0.13 -0.22 0.00 -2.06 0.00 0.00 59.70 57.40 2k61 h MET 51 Cb 0.49 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2k61 h MET 51 CO 0.03 0.58 -0.88 0.82 1.06 0.00 0.00 176.91 178.52 2k61 h ILE 52 N 0.50 1.39 0.00 -1.22 2.04 -1.34 -3.20 117.51 115.68 2k61 h ILE 52 Ca 0.10 -2.35 -0.00 0.00 1.00 0.00 0.00 64.86 63.61 2k61 h ILE 52 Cb 0.39 2.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.79 2k61 h ILE 52 CO 0.02 0.70 -0.02 0.78 0.00 0.00 0.00 178.15 179.64 2k61 h ASN 53 N 0.26 0.00 -0.94 1.72 2.35 -1.15 -1.67 115.58 116.15 2k61 h ASN 53 Ca -0.07 0.00 0.16 0.00 -0.55 0.00 0.00 56.30 55.85 2k61 h ASN 53 Cb 1.50 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.77 2k61 h ASN 53 CO 0.15 0.02 0.54 -0.33 -1.65 0.00 0.00 177.43 176.16 2k61 h GLU 54 N 0.00 0.72 -0.00 0.81 5.08 -1.53 -2.85 114.58 116.81 2k61 h GLU 54 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2k61 h GLU 54 Cb 0.05 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2k61 h GLU 54 CO 0.00 0.47 -0.15 1.33 -1.00 0.00 0.00 179.01 179.66 2k61 n VAL 55 N -4.79 0.00 -2.75 3.13 0.24 -1.05 -4.96 118.33 108.15 2k61 n VAL 55 Ca 0.20 -0.42 -0.43 0.00 -2.04 0.00 0.00 64.34 61.65 2k61 n VAL 55 Cb 0.49 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.88 2k61 n VAL 55 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k61 s ASP 56 N -1.11 6.63 0.00 -1.34 2.15 -0.65 -4.77 116.67 117.58 2k61 s ASP 56 Ca 0.04 0.45 0.00 0.00 0.43 0.00 0.00 52.55 53.47 2k61 s ASP 56 Cb 0.05 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2k61 s ASP 56 CO 0.17 -1.01 0.41 0.00 -0.17 0.00 0.00 175.17 174.57 2k61 n ALA 57 N 7.14 0.83 0.98 3.66 0.00 -1.26 -4.79 120.51 127.07 2k61 n ALA 57 Ca 0.08 -0.41 0.10 0.00 0.00 0.00 0.00 53.44 53.21 2k61 n ALA 57 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 2k61 n ALA 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k61 n ASP 58 N 0.00 1.16 -0.79 0.00 8.00 -1.26 -5.00 116.55 118.65 2k61 n ASP 58 Ca 0.00 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.42 2k61 n ASP 58 Cb 0.46 0.91 0.00 0.00 -0.02 0.00 0.00 41.12 42.47 2k61 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k61 n GLY 59 N 1.47 0.63 0.00 0.44 0.00 -1.26 -4.99 105.19 101.49 2k61 n GLY 59 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2k61 n GLY 59 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k61 n ASP 60 N -0.07 4.89 -0.03 1.61 5.75 -1.26 -5.02 116.55 122.42 2k61 n ASP 60 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2k61 n ASP 60 Cb 0.49 0.74 -0.00 0.00 -1.03 0.00 0.00 41.12 41.32 2k61 n ASP 60 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k61 n GLY 61 N 2.69 0.47 3.48 6.12 0.00 -1.26 -5.02 105.19 111.67 2k61 n GLY 61 Ca 0.00 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 2k61 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k61 s THR 62 N -1.98 0.61 -0.35 2.61 -4.23 -1.26 -4.72 115.64 106.32 2k61 s THR 62 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 2k61 s THR 62 Cb 0.00 -2.41 0.09 0.00 1.34 0.00 0.00 72.50 71.52 2k61 s THR 62 CO 0.00 0.00 0.08 -0.63 -0.54 0.00 0.00 174.62 173.53 2k61 s ILE 63 N -3.27 2.69 0.66 2.99 1.01 -0.62 -4.68 121.20 119.98 2k61 s ILE 63 Ca 0.27 -2.08 -0.11 0.00 0.00 0.00 0.00 60.65 58.73 2k61 s ILE 63 Cb 0.03 -2.85 0.16 0.00 0.01 0.00 0.00 42.46 39.82 2k61 s ILE 63 CO 0.15 -0.53 0.66 0.47 0.00 0.00 0.00 174.94 175.70 2k61 n ASP 64 N 4.42 -1.11 0.20 3.58 9.92 -1.26 -0.69 116.55 131.61 2k61 n ASP 64 Ca -0.02 -1.00 -0.15 0.00 -0.53 0.00 0.00 54.79 53.10 2k61 n ASP 64 Cb 0.42 -0.57 -0.08 0.00 -0.64 0.00 0.00 41.12 40.24 2k61 n ASP 64 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2k61 h PHE 65 N -1.97 -0.45 0.00 1.24 3.57 -1.94 -1.88 116.94 115.51 2k61 h PHE 65 Ca -0.24 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.23 2k61 h PHE 65 Cb 0.70 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 2k61 h PHE 65 CO 0.00 -0.20 -0.11 -1.00 -2.23 0.00 0.00 178.31 174.77 2k61 h PRO 66 N -0.62 0.00 -0.09 6.41 0.13 -1.94 -2.32 132.00 133.57 2k61 h PRO 66 Ca -0.05 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.85 2k61 h PRO 66 Cb 0.45 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.59 2k61 h PRO 66 CO 0.08 0.11 -0.87 0.93 -0.23 0.00 0.00 178.00 178.02 2k61 h GLU 67 N 0.00 0.70 -0.11 0.86 5.08 -1.88 -2.96 114.58 116.27 2k61 h GLU 67 Ca -0.00 -0.64 -0.22 0.00 -1.00 0.00 0.00 59.36 57.50 2k61 h GLU 67 Cb 0.50 0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.91 2k61 h GLU 67 CO 0.01 1.24 -0.80 0.35 -1.00 0.00 0.00 179.01 178.82 2k61 h PHE 68 N 0.45 1.02 -0.52 4.33 3.57 -1.15 -2.69 116.94 121.94 2k61 h PHE 68 Ca -0.08 -0.47 0.06 0.00 3.53 0.00 0.00 57.97 61.01 2k61 h PHE 68 Cb 1.50 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 40.04 2k61 h PHE 68 CO 0.09 1.30 0.24 -0.07 -2.23 0.00 0.00 178.31 177.64 2k61 h LEU 69 N 0.44 0.32 -0.85 0.59 3.38 -1.49 0.14 115.31 117.83 2k61 h LEU 69 Ca -0.07 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2k61 h LEU 69 Cb 1.44 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 2k61 h LEU 69 CO 0.16 0.22 -0.28 0.74 0.09 0.00 0.00 178.44 179.37 2k61 h THR 70 N 0.46 1.27 -0.13 0.22 2.02 -1.57 -2.47 112.91 112.72 2k61 h THR 70 Ca 0.24 -1.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.04 2k61 h THR 70 Cb 0.19 1.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2k61 h THR 70 CO -0.19 0.43 -0.05 -0.03 0.37 0.00 0.00 175.52 176.04 2k61 h MET 71 N 0.47 0.27 0.00 6.66 1.85 -1.03 -3.04 114.93 120.11 2k61 h MET 71 Ca 0.06 -0.11 0.00 0.00 -0.61 0.00 0.00 59.70 59.04 2k61 h MET 71 Cb 0.72 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.74 2k61 h MET 71 CO 0.06 0.59 0.00 0.52 -0.40 0.00 0.00 176.91 177.68 2k61 h MET 72 N -0.07 0.00 -0.03 0.39 2.07 -0.72 -2.35 114.93 114.22 2k61 h MET 72 Ca 0.03 0.00 -0.22 0.00 -2.07 0.00 0.00 59.70 57.44 2k61 h MET 72 Cb 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.24 2k61 h MET 72 CO 0.02 0.00 -0.89 0.00 1.07 0.00 0.00 176.91 177.11 2k61 h ALA 73 N 2.04 0.39 -0.00 6.32 0.00 -1.33 -0.48 119.26 126.21 2k61 h ALA 73 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2k61 h ALA 73 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2k61 h ALA 73 CO 0.00 0.78 -0.38 0.54 0.00 0.00 0.00 179.25 180.20 2k61 n ARG 74 N -3.79 0.39 -0.06 0.00 1.74 -1.03 -4.43 116.66 109.48 2k61 n ARG 74 Ca -0.07 -0.22 -0.14 0.00 -0.77 0.00 0.00 57.85 56.65 2k61 n ARG 74 Cb 0.80 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.70 2k61 n ARG 74 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2k61 n LYS 75 N -1.11 0.29 -2.59 5.56 4.76 -0.91 -4.93 118.16 119.22 2k61 n LYS 75 Ca 0.09 0.13 -0.43 0.00 -2.87 0.00 0.00 58.31 55.23 2k61 n LYS 75 Cb 0.34 -0.98 -0.02 0.00 -1.84 0.00 0.00 35.03 32.52 2k61 n LYS 75 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2k61 s MET 76 N -2.26 3.63 -0.25 1.97 -1.94 -0.19 -4.85 119.30 115.40 2k61 s MET 76 Ca -0.19 0.42 0.12 0.00 -1.71 0.00 0.00 55.69 54.33 2k61 s MET 76 Cb 0.07 -3.96 0.52 0.00 2.01 0.00 0.00 34.83 33.48 2k61 s MET 76 CO 0.24 -1.52 1.47 1.63 -0.01 0.00 0.00 175.02 176.83 2k61 n LYS 77 N 8.11 2.31 0.00 2.03 4.76 -1.26 -4.72 118.16 129.39 2k61 n LYS 77 Ca 0.10 -3.03 0.00 0.00 -2.87 0.00 0.00 58.31 52.52 2k61 n LYS 77 Cb 0.49 -1.85 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 2k61 n LYS 77 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k61 n ASP 78 N -0.88 0.00 -4.55 4.39 8.00 -1.26 -4.47 116.55 117.79 2k61 n ASP 78 Ca 0.30 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.37 2k61 n ASP 78 Cb 1.01 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 42.08 2k61 n ASP 78 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2k61 s THR 79 N 0.00 4.17 0.45 -3.53 2.01 -1.26 -5.02 115.64 112.46 2k61 s THR 79 Ca 0.00 0.53 -0.04 0.00 0.31 0.00 0.00 61.69 62.49 2k61 s THR 79 Cb 0.00 -4.66 0.10 0.00 0.01 0.00 0.00 72.50 67.95 2k61 s THR 79 CO 0.00 -1.29 0.61 0.47 -0.69 0.00 0.00 174.62 173.72 2k61 n ASP 80 N 8.06 0.39 -4.48 3.53 8.00 -1.26 -5.09 116.55 125.70 2k61 n ASP 80 Ca 0.04 -1.43 -0.29 0.00 0.71 0.00 0.00 54.79 53.82 2k61 n ASP 80 Cb 0.48 -0.43 0.14 0.00 -0.02 0.00 0.00 41.12 41.29 2k61 n ASP 80 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2k61 s SER 81 N -3.34 3.75 0.42 -2.24 1.04 -1.26 -4.88 113.70 107.20 2k61 s SER 81 Ca 0.37 0.47 0.13 0.00 0.48 0.00 0.00 55.95 57.40 2k61 s SER 81 Cb -0.02 -0.72 0.90 0.00 0.10 0.00 0.00 66.02 66.29 2k61 s SER 81 CO 0.25 -2.35 1.95 -0.08 0.98 0.00 0.00 173.24 173.99 2k61 h GLU 82 N -1.35 0.06 -0.44 4.02 4.57 -1.98 -1.95 114.58 117.50 2k61 h GLU 82 Ca -0.45 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2k61 h GLU 82 Cb 1.28 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.84 2k61 h GLU 82 CO 0.50 0.26 0.29 0.93 -1.18 0.00 0.00 179.01 179.81 2k61 h GLU 83 N 0.05 0.58 0.00 1.92 3.07 -2.01 -2.57 114.58 115.61 2k61 h GLU 83 Ca 0.01 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 58.70 2k61 h GLU 83 Cb 0.39 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 2k61 h GLU 83 CO 0.03 0.39 -0.64 0.93 -1.40 0.00 0.00 179.01 178.31 2k61 h GLU 84 N 0.59 0.00 -0.57 2.33 5.08 -1.87 -3.27 114.58 116.87 2k61 h GLU 84 Ca 0.16 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2k61 h GLU 84 Cb -0.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2k61 h GLU 84 CO -0.03 0.64 0.20 0.82 -1.00 0.00 0.00 179.01 179.64 2k61 h ILE 85 N 0.00 1.21 -0.23 3.13 2.04 -1.06 -2.41 117.51 120.19 2k61 h ILE 85 Ca -0.01 -0.69 -0.16 0.00 1.00 0.00 0.00 64.86 65.01 2k61 h ILE 85 Cb 1.45 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2k61 h ILE 85 CO 0.08 0.27 -0.50 -0.09 0.00 0.00 0.00 178.15 177.91 2k61 h ARG 86 N 0.82 0.65 -0.55 2.37 9.65 -1.52 -1.86 114.38 123.94 2k61 h ARG 86 Ca 0.19 -0.38 -0.02 0.00 -1.10 0.00 0.00 59.98 58.66 2k61 h ARG 86 Cb 0.19 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 2k61 h ARG 86 CO -0.01 1.00 0.25 0.93 2.80 0.00 0.00 179.97 184.93 2k61 h GLU 87 N 0.51 0.80 0.00 0.20 5.08 -1.54 -2.63 114.58 117.00 2k61 h GLU 87 Ca 0.02 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2k61 h GLU 87 Cb 1.05 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2k61 h GLU 87 CO 0.10 0.67 -0.34 0.00 -1.00 0.00 0.00 179.01 178.44 2k61 h ALA 88 N 1.09 0.87 -0.47 3.43 0.00 -1.41 -3.20 119.26 119.57 2k61 h ALA 88 Ca 0.19 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2k61 h ALA 88 Cb 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2k61 h ALA 88 CO -0.02 0.43 -0.07 0.35 0.00 0.00 0.00 179.25 179.94 2k61 h PHE 89 N 0.00 0.89 0.00 0.00 3.57 -0.98 -2.52 116.94 117.91 2k61 h PHE 89 Ca -0.00 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.34 2k61 h PHE 89 Cb 1.04 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.55 2k61 h PHE 89 CO 0.00 0.86 0.00 0.54 -2.23 0.00 0.00 178.31 177.48 2k61 n ARG 90 N -4.18 0.06 -0.01 1.11 1.74 -1.08 -2.61 116.66 111.69 2k61 n ARG 90 Ca 0.02 0.21 -0.16 0.00 -0.77 0.00 0.00 57.85 57.14 2k61 n ARG 90 Cb 0.35 -1.60 -0.12 0.00 -1.02 0.00 0.00 32.46 30.07 2k61 n ARG 90 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k61 h VAL 91 N 0.00 1.55 0.00 1.55 2.07 -1.54 -3.29 116.25 116.59 2k61 h VAL 91 Ca 0.00 -2.09 -0.06 0.00 0.82 0.00 0.00 66.70 65.37 2k61 h VAL 91 Cb 0.39 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 2k61 h VAL 91 CO 0.00 0.58 -0.28 -0.26 0.02 0.00 0.00 177.57 177.63 2k61 h PHE 92 N -0.46 0.00 -3.51 1.57 0.04 -1.58 -3.36 116.94 109.64 2k61 h PHE 92 Ca -0.05 0.00 -0.75 0.00 2.80 0.00 0.00 57.97 59.97 2k61 h PHE 92 Cb 1.15 0.00 -0.31 0.00 2.20 0.00 0.00 35.95 38.99 2k61 h PHE 92 CO 0.19 0.28 0.09 0.34 -0.60 0.00 0.00 178.31 178.61 2k61 s ASP 93 N -6.26 6.48 0.00 2.17 2.15 -1.07 -4.43 116.67 115.70 2k61 s ASP 93 Ca 0.03 -3.43 0.30 0.00 0.43 0.00 0.00 52.55 49.88 2k61 s ASP 93 Cb 0.09 -2.05 1.69 0.00 -0.30 0.00 0.00 42.92 42.35 2k61 s ASP 93 CO 0.67 -0.30 2.09 0.29 -0.17 0.00 0.00 175.17 177.76 2k61 n LYS 94 N 2.84 0.77 0.00 4.34 5.02 -1.26 -3.05 118.16 126.83 2k61 n LYS 94 Ca 0.20 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.60 2k61 n LYS 94 Cb 0.39 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 34.00 2k61 n LYS 94 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k61 n ASP 95 N -1.09 0.68 -2.30 4.39 9.92 -1.26 -4.96 116.55 121.92 2k61 n ASP 95 Ca 0.20 -0.49 -0.20 0.00 -0.53 0.00 0.00 54.79 53.76 2k61 n ASP 95 Cb 0.15 0.58 -0.02 0.00 -0.64 0.00 0.00 41.12 41.19 2k61 n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k61 n GLY 96 N 1.48 -0.20 0.00 0.44 0.00 -1.17 -4.86 105.19 100.89 2k61 n GLY 96 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 2k61 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k61 n ASN 97 N -1.91 0.69 0.00 1.61 6.94 -1.26 -4.97 115.26 116.35 2k61 n ASN 97 Ca -0.24 -0.67 0.00 0.00 -0.02 0.00 0.00 54.58 53.65 2k61 n ASN 97 Cb 0.68 1.28 0.00 0.00 -2.36 0.00 0.00 39.78 39.38 2k61 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k61 n GLY 98 N 1.43 0.61 3.15 4.83 0.00 -1.26 -5.06 105.19 108.88 2k61 n GLY 98 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2k61 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k61 s TYR 99 N -2.39 2.17 -0.36 1.61 2.02 -1.26 -3.85 117.35 115.29 2k61 s TYR 99 Ca 0.00 -0.87 -0.04 0.00 -0.37 0.00 0.00 57.07 55.80 2k61 s TYR 99 Cb 0.00 -1.48 0.07 0.00 -0.40 0.00 0.00 41.96 40.15 2k61 s TYR 99 CO 0.00 -0.37 0.12 0.42 -1.57 0.00 0.00 175.55 174.15 2k61 s ILE 100 N 0.46 3.33 0.55 2.71 1.01 -0.65 -4.82 121.20 123.78 2k61 s ILE 100 Ca -0.17 -1.60 -0.05 0.00 0.00 0.00 0.00 60.65 58.83 2k61 s ILE 100 Cb -0.17 -3.06 0.12 0.00 0.01 0.00 0.00 42.46 39.35 2k61 s ILE 100 CO 0.07 -0.37 0.75 -1.54 0.00 0.00 0.00 174.94 173.85 2k61 n SER 101 N 4.66 0.53 -0.01 3.58 3.41 -1.26 -1.81 113.62 122.73 2k61 n SER 101 Ca -0.09 -1.56 -0.12 0.00 -0.26 0.00 0.00 58.87 56.85 2k61 n SER 101 Cb 0.43 -0.53 -0.07 0.00 -0.26 0.00 0.00 64.21 63.78 2k61 n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k61 h ALA 102 N -1.12 0.10 -0.32 7.33 0.00 -1.92 -1.77 119.26 121.56 2k61 h ALA 102 Ca -0.24 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.64 2k61 h ALA 102 Cb 0.79 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 2k61 h ALA 102 CO 0.22 -0.32 -0.03 0.00 0.00 0.00 0.00 179.25 179.11 2k61 h ALA 103 N 0.88 0.26 -0.45 0.00 0.00 -1.94 -0.04 119.26 117.96 2k61 h ALA 103 Ca 0.03 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2k61 h ALA 103 Cb 0.16 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2k61 h ALA 103 CO -0.00 -0.43 0.27 0.93 0.00 0.00 0.00 179.25 180.02 2k61 h GLU 104 N 0.05 0.61 -0.43 0.00 5.08 -1.89 -2.22 114.58 115.78 2k61 h GLU 104 Ca 0.15 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2k61 h GLU 104 Cb 0.22 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2k61 h GLU 104 CO -0.29 0.45 0.15 1.25 -1.00 0.00 0.00 179.01 179.57 2k61 h LEU 105 N 0.59 0.61 -1.47 1.33 5.85 -0.96 -2.78 115.31 118.49 2k61 h LEU 105 Ca 0.16 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 2k61 h LEU 105 Cb 0.00 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2k61 h LEU 105 CO -0.03 0.64 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.55 2k61 h ARG 106 N 0.55 0.25 -0.22 1.25 2.43 -0.90 -1.59 114.38 116.16 2k61 h ARG 106 Ca 0.14 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2k61 h ARG 106 Cb 0.24 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2k61 h ARG 106 CO -0.01 0.34 0.01 1.25 -1.51 0.00 0.00 179.97 180.05 2k61 h HIS 107 N 0.25 0.41 -0.26 2.20 2.76 -1.15 -1.84 115.15 117.52 2k61 h HIS 107 Ca 0.05 -0.07 -0.12 0.00 -2.20 0.00 0.00 60.37 58.04 2k61 h HIS 107 Cb 0.29 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 2k61 h HIS 107 CO 0.00 0.55 -0.33 0.28 -1.30 0.00 0.00 177.93 177.13 2k61 h VAL 108 N 0.15 1.29 -0.30 5.26 2.07 -1.24 -2.08 116.25 121.40 2k61 h VAL 108 Ca 0.06 -1.45 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 2k61 h VAL 108 Cb 0.38 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2k61 h VAL 108 CO 0.01 0.46 -0.01 0.24 0.02 0.00 0.00 177.57 178.29 2k61 h MET 109 N 0.47 0.54 -0.32 1.57 2.07 -1.22 -1.07 114.93 116.96 2k61 h MET 109 Ca 0.05 -0.18 -0.09 0.00 -2.07 0.00 0.00 59.70 57.41 2k61 h MET 109 Cb 0.81 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 30.47 2k61 h MET 109 CO 0.07 0.69 -0.18 1.15 1.07 0.00 0.00 176.91 179.70 2k61 h THR 110 N 0.33 1.26 -0.42 2.22 2.02 -1.30 -0.85 112.91 116.17 2k61 h THR 110 Ca 0.08 -1.20 -0.12 0.00 0.77 0.00 0.00 66.41 65.95 2k61 h THR 110 Cb 0.45 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2k61 h THR 110 CO 0.02 0.39 -0.20 -1.13 0.37 0.00 0.00 175.52 174.97 2k61 h ASN 111 N 0.53 0.84 0.44 4.18 -1.24 -1.25 -2.58 115.58 116.51 2k61 h ASN 111 Ca 0.09 -0.30 -0.03 0.00 0.71 0.00 0.00 56.30 56.77 2k61 h ASN 111 Cb 0.62 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 39.43 2k61 h ASN 111 CO 0.04 1.02 -0.14 -0.07 -1.29 0.00 0.00 177.43 177.00 2k61 h LEU 112 N 0.72 0.00 0.00 0.34 -0.00 -0.91 -3.46 115.31 112.00 2k61 h LEU 112 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 2k61 h LEU 112 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 2k61 h LEU 112 CO 0.06 0.14 0.00 0.61 -0.00 0.00 0.00 178.44 179.24 2k61 n GLY 113 N -0.57 0.89 3.47 0.83 0.00 -0.97 -5.04 105.19 103.80 2k61 n GLY 113 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2k61 n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k61 s GLU 114 N -0.24 3.15 -0.27 1.61 2.12 -0.35 -4.99 118.70 119.73 2k61 s GLU 114 Ca 0.00 -0.77 -0.24 0.00 0.36 0.00 0.00 54.97 54.31 2k61 s GLU 114 Cb 0.00 -4.05 -0.00 0.00 0.26 0.00 0.00 34.13 30.34 2k61 s GLU 114 CO 0.00 -1.12 0.83 0.15 -0.54 0.00 0.00 175.26 174.58 2k61 s LYS 115 N 2.59 4.11 0.10 4.30 -0.14 -1.26 -3.36 119.74 126.08 2k61 s LYS 115 Ca 0.16 0.84 -0.00 0.00 -1.36 0.00 0.00 55.97 55.60 2k61 s LYS 115 Cb -0.18 -3.68 -0.04 0.00 -1.68 0.00 0.00 37.83 32.25 2k61 s LYS 115 CO 0.13 -0.59 0.00 -0.48 -0.76 0.00 0.00 175.35 173.66 2k61 s LEU 116 N 2.93 2.18 0.83 3.17 0.05 -1.26 -5.10 118.68 121.48 2k61 s LEU 116 Ca 0.35 -1.10 -0.08 0.00 0.05 0.00 0.00 54.13 53.35 2k61 s LEU 116 Cb -0.15 0.18 0.16 0.00 -2.05 0.00 0.00 46.19 44.34 2k61 s LEU 116 CO 0.09 -0.63 1.15 0.42 -0.55 0.00 0.00 176.35 176.83 2k61 s THR 117 N -3.91 2.07 0.16 5.48 -4.23 -1.26 -4.99 115.64 108.95 2k61 s THR 117 Ca 0.16 -0.32 -0.08 0.00 -1.18 0.00 0.00 61.69 60.27 2k61 s THR 117 Cb 0.07 -2.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 2k61 s THR 117 CO -0.03 0.00 1.49 0.44 -0.54 0.00 0.00 174.62 175.98 2k61 h ASP 118 N -1.04 0.90 0.05 3.99 3.32 -2.01 -3.10 116.42 118.52 2k61 h ASP 118 Ca -0.40 -0.42 -0.07 0.00 0.02 0.00 0.00 57.03 56.15 2k61 h ASP 118 Cb 1.25 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 2k61 h ASP 118 CO 0.40 1.19 -0.22 -0.08 -1.72 0.00 0.00 179.24 178.81 2k61 h GLU 119 N 0.68 0.31 -0.25 3.56 4.57 -1.99 -2.43 114.58 119.02 2k61 h GLU 119 Ca 0.05 -0.10 -0.09 0.00 -1.18 0.00 0.00 59.36 58.04 2k61 h GLU 119 Cb 0.99 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 2k61 h GLU 119 CO 0.10 0.52 -0.23 0.93 -1.18 0.00 0.00 179.01 179.15 2k61 h GLU 120 N 0.28 0.47 -0.12 1.92 5.08 -1.93 -2.53 114.58 117.75 2k61 h GLU 120 Ca 0.05 -0.17 -0.18 0.00 -1.00 0.00 0.00 59.36 58.06 2k61 h GLU 120 Cb 0.55 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2k61 h GLU 120 CO 0.04 0.67 -0.68 0.28 -1.00 0.00 0.00 179.01 178.31 2k61 h VAL 121 N 0.42 1.34 0.00 3.13 2.07 -1.43 -2.98 116.25 118.80 2k61 h VAL 121 Ca 0.07 -2.01 -0.04 0.00 0.82 0.00 0.00 66.70 65.54 2k61 h VAL 121 Cb 0.63 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2k61 h VAL 121 CO 0.04 0.62 -0.17 0.44 0.02 0.00 0.00 177.57 178.52 2k61 h ASP 122 N 0.37 0.00 0.36 0.57 3.32 -1.19 -1.74 116.42 118.12 2k61 h ASP 122 Ca -0.02 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.76 2k61 h ASP 122 Cb 1.26 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.82 2k61 h ASP 122 CO 0.13 0.17 -1.16 -0.33 -1.72 0.00 0.00 179.24 176.32 2k61 h GLU 123 N 0.00 0.44 -0.04 3.56 5.08 -1.34 -2.86 114.58 119.42 2k61 h GLU 123 Ca -0.00 -0.60 -0.15 0.00 -1.00 0.00 0.00 59.36 57.61 2k61 h GLU 123 Cb 0.50 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2k61 h GLU 123 CO 0.02 1.25 -0.67 0.52 -1.00 0.00 0.00 179.01 179.13 2k61 h MET 124 N 0.19 0.17 -0.12 2.33 2.86 -1.34 -2.82 114.93 116.20 2k61 h MET 124 Ca -0.14 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.33 2k61 h MET 124 Cb 1.84 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.52 2k61 h MET 124 CO 0.21 0.77 -0.07 0.82 1.06 0.00 0.00 176.91 179.70 2k61 h ILE 125 N 0.12 1.32 0.00 -1.22 1.08 -1.36 -3.03 117.51 114.42 2k61 h ILE 125 Ca -0.01 -1.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 2k61 h ILE 125 Cb 1.19 1.82 0.00 0.00 -3.07 0.00 0.00 36.82 36.76 2k61 h ILE 125 CO 0.10 0.32 0.00 0.03 -0.69 0.00 0.00 178.15 177.91 2k61 h ARG 126 N -0.11 0.00 -0.39 2.37 3.08 -1.55 -1.02 114.38 116.76 2k61 h ARG 126 Ca 0.02 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 2k61 h ARG 126 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2k61 h ARG 126 CO 0.02 0.00 -0.31 1.49 -1.07 0.00 0.00 179.97 180.10 2k61 h GLU 127 N 0.00 0.85 0.00 0.04 4.81 -1.37 -3.18 114.58 115.73 2k61 h GLU 127 Ca 0.00 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 2k61 h GLU 127 Cb 0.46 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2k61 h GLU 127 CO 0.00 1.03 -1.34 0.00 -0.73 0.00 0.00 179.01 177.97 2k61 n ALA 128 N -2.52 3.76 -2.29 2.92 0.00 -1.11 -4.80 120.51 116.47 2k61 n ALA 128 Ca -0.01 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.49 2k61 n ALA 128 Cb 0.49 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 2k61 n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k61 s ASP 129 N -3.75 7.06 -0.07 0.00 -1.08 -0.40 -4.68 116.67 113.75 2k61 s ASP 129 Ca 0.01 2.10 0.13 0.00 -0.52 0.00 0.00 52.55 54.28 2k61 s ASP 129 Cb 0.15 -2.59 -0.19 0.00 -1.46 0.00 0.00 42.92 38.83 2k61 s ASP 129 CO 0.87 -0.45 0.19 -0.38 0.52 0.00 0.00 175.17 175.91 2k61 n ILE 130 N 3.53 0.41 0.87 4.11 5.41 -1.26 -4.50 119.36 127.93 2k61 n ILE 130 Ca 0.08 -0.43 0.09 0.00 1.00 0.00 0.00 62.75 63.49 2k61 n ILE 130 Cb 0.46 -0.20 -0.09 0.00 -0.71 0.00 0.00 39.64 39.09 2k61 n ILE 130 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2k61 n ASP 131 N -2.22 1.00 -3.46 4.38 8.00 -1.26 -5.01 116.55 117.98 2k61 n ASP 131 Ca -0.11 -1.00 -0.20 0.00 0.71 0.00 0.00 54.79 54.19 2k61 n ASP 131 Cb 0.62 0.93 0.06 0.00 -0.02 0.00 0.00 41.12 42.71 2k61 n ASP 131 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k61 n GLY 132 N 1.42 -0.82 0.22 0.44 0.00 -1.26 -4.93 105.19 100.26 2k61 n GLY 132 Ca 0.04 0.39 0.03 0.00 0.00 0.00 0.00 46.02 46.47 2k61 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k61 n ASP 133 N -3.06 1.51 0.00 1.61 5.75 -1.26 -4.98 116.55 116.12 2k61 n ASP 133 Ca -0.16 -1.27 0.00 0.00 -0.01 0.00 0.00 54.79 53.35 2k61 n ASP 133 Cb 0.63 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 2k61 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k61 n GLY 134 N 0.29 1.49 3.30 6.12 0.00 -1.26 -5.03 105.19 110.11 2k61 n GLY 134 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 2k61 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k61 s GLN 135 N -0.44 1.87 -0.22 1.61 -0.21 -1.26 -3.77 119.66 117.24 2k61 s GLN 135 Ca 0.00 -0.97 -0.01 0.00 0.02 0.00 0.00 55.36 54.40 2k61 s GLN 135 Cb 0.00 -1.91 0.02 0.00 1.00 0.00 0.00 33.01 32.12 2k61 s GLN 135 CO 0.00 0.51 -0.11 0.08 -2.12 0.00 0.00 175.29 173.65 2k61 s VAL 136 N -0.68 2.64 0.09 1.09 1.01 -0.75 -4.81 120.40 118.99 2k61 s VAL 136 Ca 0.10 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 2k61 s VAL 136 Cb -0.10 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 34.05 2k61 s VAL 136 CO 0.00 0.34 0.13 -0.46 0.00 0.00 0.00 175.10 175.11 2k61 n ASN 137 N 4.66 0.10 -0.18 3.32 0.23 -1.25 -1.64 115.26 120.50 2k61 n ASN 137 Ca -0.18 -1.10 -0.10 0.00 -0.53 0.00 0.00 54.58 52.66 2k61 n ASN 137 Cb 0.48 -0.09 0.01 0.00 -2.08 0.00 0.00 39.78 38.10 2k61 n ASN 137 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k61 h TYR 138 N -0.65 1.08 -0.73 -2.53 3.20 -2.00 -1.97 116.97 113.36 2k61 h TYR 138 Ca -0.04 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.61 2k61 h TYR 138 Cb 0.14 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.10 2k61 h TYR 138 CO 0.00 1.01 0.46 1.49 -1.64 0.00 0.00 178.16 179.48 2k61 h GLU 139 N 0.83 0.98 0.00 1.82 4.81 -1.94 -1.98 114.58 119.10 2k61 h GLU 139 Ca 0.13 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2k61 h GLU 139 Cb 0.64 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2k61 h GLU 139 CO 0.04 0.68 0.00 0.93 -0.73 0.00 0.00 179.01 179.93 2k61 h GLU 140 N 0.99 0.00 -0.27 1.92 5.08 -1.80 -2.65 114.58 117.85 2k61 h GLU 140 Ca 0.26 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.50 2k61 h GLU 140 Cb -0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 2k61 h GLU 140 CO -0.05 0.00 -0.33 0.35 -1.00 0.00 0.00 179.01 177.97 2k61 h PHE 141 N 0.00 0.87 0.00 4.33 3.57 -0.58 -2.99 116.94 122.14 2k61 h PHE 141 Ca 0.00 -0.27 -0.12 0.00 3.53 0.00 0.00 57.97 61.11 2k61 h PHE 141 Cb 0.64 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 2k61 h PHE 141 CO 0.00 1.03 -0.57 0.28 -2.23 0.00 0.00 178.31 176.82 2k61 h VAL 142 N 0.45 1.25 -0.87 1.41 2.07 -1.44 -3.21 116.25 115.90 2k61 h VAL 142 Ca 0.04 -2.07 0.08 0.00 0.82 0.00 0.00 66.70 65.56 2k61 h VAL 142 Cb 0.91 2.17 -0.06 0.00 -1.52 0.00 0.00 31.29 32.80 2k61 h VAL 142 CO 0.08 0.56 0.57 -0.61 0.02 0.00 0.00 177.57 178.19 2k61 h GLN 143 N 0.00 0.91 0.00 1.57 5.75 -1.33 -0.76 115.11 121.25 2k61 h GLN 143 Ca -0.01 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2k61 h GLN 143 Cb 1.12 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.47 2k61 h GLN 143 CO 0.07 0.60 -0.01 0.00 -2.65 0.00 0.00 178.83 176.84 2k61 n MET 144 N -4.50 0.26 0.09 1.69 0.00 -1.19 -1.55 117.12 111.92 2k61 n MET 144 Ca 0.14 0.21 0.12 0.00 0.00 0.00 0.00 57.70 58.17 2k61 n MET 144 Cb 0.24 -1.80 0.22 0.00 0.00 0.00 0.00 33.22 31.89 2k61 n MET 144 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 2k61 h MET 145 N 0.00 0.00 0.00 3.17 2.86 -1.23 -3.33 114.93 116.39 2k61 h MET 145 Ca 0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 2k61 h MET 145 Cb 0.74 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 2k61 h MET 145 CO 0.00 0.00 -1.73 0.25 1.06 0.00 0.00 176.91 176.49 2k61 n THR 146 N -2.29 0.41 -3.66 2.22 -2.24 -0.97 -4.99 114.28 102.77 2k61 n THR 146 Ca 0.04 -0.41 -0.07 0.00 -2.27 0.00 0.00 64.05 61.33 2k61 n THR 146 Cb 0.45 -0.22 -0.08 0.00 -2.10 0.00 0.00 70.33 68.38 2k61 n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k61 s ALA 147 N -2.63 -1.46 -2.00 6.98 0.00 -0.59 -5.12 121.76 116.95 2k61 s ALA 147 Ca -0.05 1.90 0.31 0.00 0.00 0.00 0.00 51.96 54.11 2k61 s ALA 147 Cb 0.06 -1.30 1.85 0.00 0.00 0.00 0.00 23.12 23.74 2k61 s ALA 147 CO 0.53 -0.53 2.18 1.17 0.00 0.00 0.00 175.76 179.12