#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s26 n GLU 6 N 0.00 0.36 -0.24 -0.78 1.02 -1.26 -4.43 120.64 115.31 1s26 n GLU 6 Ca 0.00 0.16 -0.02 0.00 -0.02 0.00 0.00 57.16 57.28 1s26 n GLU 6 Cb 0.00 -1.11 0.17 0.00 -0.02 0.00 0.00 31.44 30.48 1s26 n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1s26 h GLU 7 N -0.62 1.06 -0.08 3.49 5.08 -2.04 0.51 114.58 121.97 1s26 h GLU 7 Ca -0.42 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 57.86 1s26 h GLU 7 Cb 1.35 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 1s26 h GLU 7 CO -0.25 0.78 -0.41 1.96 -1.00 0.00 0.00 179.01 180.08 1s26 h GLN 8 N 1.06 -0.49 -0.36 2.33 1.08 -2.00 1.52 115.11 118.25 1s26 h GLN 8 Ca 0.27 0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.43 1s26 h GLN 8 Cb 0.03 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1s26 h GLN 8 CO -0.04 -0.33 -0.10 0.82 -0.95 0.00 0.00 178.83 178.23 1s26 h ILE 9 N -0.51 1.24 -0.65 2.54 2.04 -1.67 -2.73 117.51 117.77 1s26 h ILE 9 Ca 0.07 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 64.84 1s26 h ILE 9 Cb 0.63 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1s26 h ILE 9 CO -0.36 0.35 0.28 0.00 0.00 0.00 0.00 178.15 178.42 1s26 h ALA 10 N 1.33 0.85 0.48 1.87 0.00 0.17 -2.19 119.26 121.76 1s26 h ALA 10 Ca 0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1s26 h ALA 10 Cb 0.51 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1s26 h ALA 10 CO 0.03 0.44 -0.23 0.93 0.00 0.00 0.00 179.25 180.42 1s26 h GLU 11 N 0.91 -0.63 -0.08 0.00 5.08 0.24 0.20 114.58 120.30 1s26 h GLU 11 Ca 0.22 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1s26 h GLU 11 Cb 0.17 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1s26 h GLU 11 CO -0.02 -0.42 -0.18 0.74 -1.00 0.00 0.00 179.01 178.13 1s26 h PHE 12 N -0.65 -0.54 -1.11 4.33 0.04 -1.55 0.74 116.94 118.20 1s26 h PHE 12 Ca -0.07 0.02 0.32 0.00 2.80 0.00 0.00 57.97 61.04 1s26 h PHE 12 Cb 0.50 0.25 -0.05 0.00 2.20 0.00 0.00 35.95 38.85 1s26 h PHE 12 CO 0.11 -0.17 0.79 -0.22 -0.60 0.00 0.00 178.31 178.22 1s26 h LYS 13 N -0.16 0.05 -0.23 1.51 3.64 -1.47 -0.22 116.57 119.68 1s26 h LYS 13 Ca 0.02 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1s26 h LYS 13 Cb 0.21 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1s26 h LYS 13 CO -0.17 0.03 0.04 1.49 -2.27 0.00 0.00 179.45 178.58 1s26 h GLU 14 N 0.05 0.39 0.00 1.90 4.22 0.18 -3.12 114.58 118.19 1s26 h GLU 14 Ca 0.54 -0.10 -0.15 0.00 0.08 0.00 0.00 59.36 59.73 1s26 h GLU 14 Cb 2.06 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.24 1s26 h GLU 14 CO -0.04 0.52 -0.73 0.00 -2.18 0.00 0.00 179.01 176.58 1s26 h ALA 15 N 0.85 0.64 -0.07 2.92 0.00 -0.27 -3.28 119.26 120.05 1s26 h ALA 15 Ca 0.07 -0.66 0.02 0.00 0.00 0.00 0.00 54.91 54.34 1s26 h ALA 15 Cb 0.32 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1s26 h ALA 15 CO 0.00 0.91 0.41 0.35 0.00 0.00 0.00 179.25 180.92 1s26 h PHE 16 N 0.00 0.00 -0.02 0.00 3.57 -1.11 0.21 116.94 119.59 1s26 h PHE 16 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1s26 h PHE 16 Cb 1.43 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.17 1s26 h PHE 16 CO 0.00 0.00 0.00 0.43 -2.23 0.00 0.00 178.31 176.51 1s26 n SER 17 N -2.98 2.36 0.19 0.41 7.64 -1.24 -4.43 113.62 115.57 1s26 n SER 17 Ca -0.00 -1.68 0.05 0.00 1.01 0.00 0.00 58.87 58.25 1s26 n SER 17 Cb 0.47 -0.00 0.35 0.00 -1.01 0.00 0.00 64.21 64.02 1s26 n SER 17 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1s26 h LEU 18 N 3.19 0.00 -6.42 -3.43 6.46 -0.74 -3.39 115.31 110.98 1s26 h LEU 18 Ca 0.00 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 57.44 1s26 h LEU 18 Cb 0.68 0.00 -0.32 0.00 -0.73 0.00 0.00 40.66 40.29 1s26 h LEU 18 CO 0.00 0.38 -0.64 0.12 -0.62 0.00 0.00 178.44 177.68 1s26 s PHE 19 N -3.73 -0.50 -0.51 1.25 2.19 -1.26 -5.05 117.98 110.37 1s26 s PHE 19 Ca -0.01 -0.32 0.07 0.00 0.33 0.00 0.00 56.93 57.00 1s26 s PHE 19 Cb 0.12 -0.39 0.21 0.00 -1.31 0.00 0.00 43.02 41.65 1s26 s PHE 19 CO 0.69 -0.95 0.78 -3.47 1.83 0.00 0.00 175.22 174.10 1s26 n ASP 20 N 4.94 -3.28 -2.12 6.13 4.64 -1.26 -4.97 116.55 120.62 1s26 n ASP 20 Ca 0.03 -3.04 -0.04 0.00 -1.38 0.00 0.00 54.79 50.36 1s26 n ASP 20 Cb 0.46 1.78 -0.05 0.00 -1.04 0.00 0.00 41.12 42.27 1s26 n ASP 20 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 1s26 n LYS 21 N 2.53 0.75 0.00 -0.67 0.00 -1.26 -1.83 118.16 117.68 1s26 n LYS 21 Ca 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 58.31 58.16 1s26 n LYS 21 Cb 0.58 -1.58 0.00 0.00 0.00 0.00 0.00 35.03 34.03 1s26 n LYS 21 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1s26 n ASP 22 N 2.46 2.01 0.00 3.14 4.64 -1.26 -5.04 116.55 122.50 1s26 n ASP 22 Ca 0.13 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.54 1s26 n ASP 22 Cb 0.35 0.16 0.00 0.00 -1.04 0.00 0.00 41.12 40.59 1s26 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1s26 n GLY 23 N 1.72 2.55 1.84 0.27 0.00 -0.76 -4.77 105.19 106.04 1s26 n GLY 23 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1s26 n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s26 n ASP 24 N 0.12 4.83 -3.95 1.61 8.00 -1.26 -4.92 116.55 120.97 1s26 n ASP 24 Ca 0.00 -2.99 -0.26 0.00 0.71 0.00 0.00 54.79 52.25 1s26 n ASP 24 Cb 0.00 -0.70 -0.01 0.00 -0.02 0.00 0.00 41.12 40.38 1s26 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s26 n GLY 25 N 0.16 -0.26 2.31 0.44 0.00 -1.26 -4.91 105.19 101.67 1s26 n GLY 25 Ca 0.32 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 46.28 1s26 n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s26 n THR 26 N -4.40 -0.56 -0.20 2.61 -2.24 -1.22 -3.31 114.28 104.96 1s26 n THR 26 Ca -0.26 -3.48 0.00 0.00 -2.27 0.00 0.00 64.05 58.04 1s26 n THR 26 Cb 0.66 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 1s26 n THR 26 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1s26 n ILE 27 N 1.47 0.00 -4.47 2.28 -5.35 0.51 -4.26 119.36 109.55 1s26 n ILE 27 Ca 0.19 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.40 1s26 n ILE 27 Cb 0.55 -1.01 -0.10 0.00 -1.74 0.00 0.00 39.64 37.34 1s26 n ILE 27 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1s26 s THR 28 N -0.41 2.22 -1.71 7.28 -4.23 -1.26 0.27 115.64 117.81 1s26 s THR 28 Ca 0.00 -1.99 0.24 0.00 -1.18 0.00 0.00 61.69 58.76 1s26 s THR 28 Cb 0.00 -2.88 0.54 0.00 1.34 0.00 0.00 72.50 71.50 1s26 s THR 28 CO 0.00 -0.08 1.78 0.41 -0.54 0.00 0.00 174.62 176.19 1s26 n THR 29 N -0.97 0.14 0.15 3.99 -1.04 -1.19 -2.04 114.28 113.31 1s26 n THR 29 Ca -0.04 0.03 0.02 0.00 -2.04 0.00 0.00 64.05 62.02 1s26 n THR 29 Cb 0.65 -0.65 0.19 0.00 -1.82 0.00 0.00 70.33 68.69 1s26 n THR 29 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1s26 h LYS 30 N 0.00 0.00 -0.00 -2.82 1.57 -1.94 -3.28 116.57 110.10 1s26 h LYS 30 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s26 h LYS 30 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1s26 h LYS 30 CO 0.00 0.53 -0.22 -0.85 -0.57 0.00 0.00 179.45 178.34 1s26 n GLU 31 N -3.53 4.53 -0.34 3.15 0.28 -0.97 -4.62 120.64 119.14 1s26 n GLU 31 Ca -0.00 -0.11 0.13 0.00 -0.16 0.00 0.00 57.16 57.02 1s26 n GLU 31 Cb 0.62 -0.80 0.31 0.00 1.43 0.00 0.00 31.44 33.01 1s26 n GLU 31 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1s26 h LEU 32 N 0.15 0.69 -0.41 -1.84 5.85 -1.47 0.55 115.31 118.83 1s26 h LEU 32 Ca 0.00 0.11 -0.18 0.00 0.84 0.00 0.00 57.88 58.65 1s26 h LEU 32 Cb 0.14 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1s26 h LEU 32 CO 0.00 0.22 -0.79 1.23 -0.34 0.00 0.00 178.44 178.76 1s26 h GLY 33 N 0.68 0.15 2.00 3.75 0.00 -1.82 -2.47 103.07 105.36 1s26 h GLY 33 Ca 0.57 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.63 1s26 h GLY 33 CO -0.41 0.22 -0.15 -0.84 0.00 0.00 0.00 176.54 175.36 1s26 h THR 34 N 0.08 1.03 0.00 4.70 2.02 -0.28 -2.49 112.91 117.97 1s26 h THR 34 Ca -0.03 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 1s26 h THR 34 Cb 1.38 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 69.08 1s26 h THR 34 CO 0.11 0.15 -0.18 0.58 0.37 0.00 0.00 175.52 176.55 1s26 h VAL 35 N 0.00 1.33 -0.12 3.16 2.07 -0.78 -2.95 116.25 118.95 1s26 h VAL 35 Ca -0.00 -2.06 0.04 0.00 0.82 0.00 0.00 66.70 65.49 1s26 h VAL 35 Cb 0.28 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1s26 h VAL 35 CO 0.02 0.45 0.24 0.24 0.02 0.00 0.00 177.57 178.54 1s26 h MET 36 N -1.00 0.00 0.10 1.57 2.86 -1.36 -1.79 114.93 115.31 1s26 h MET 36 Ca -0.04 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.23 1s26 h MET 36 Cb 0.86 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 1s26 h MET 36 CO -0.03 0.00 -2.08 0.54 1.06 0.00 0.00 176.91 176.40 1s26 n ARG 37 N -3.36 0.73 0.00 1.72 1.74 -0.95 0.33 116.66 116.88 1s26 n ARG 37 Ca 0.00 0.24 0.09 0.00 -0.77 0.00 0.00 57.85 57.41 1s26 n ARG 37 Cb 0.34 -1.67 0.43 0.00 -1.02 0.00 0.00 32.46 30.53 1s26 n ARG 37 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1s26 n SER 38 N -3.41 0.00 -0.01 0.55 7.64 -0.90 -1.97 113.62 115.51 1s26 n SER 38 Ca -0.34 0.11 0.09 0.00 1.01 0.00 0.00 58.87 59.74 1s26 n SER 38 Cb 1.04 -0.32 -0.14 0.00 -1.01 0.00 0.00 64.21 63.78 1s26 n SER 38 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1s26 n LEU 39 N -1.32 0.14 0.00 -3.43 7.94 -0.72 -5.00 117.00 114.62 1s26 n LEU 39 Ca 0.08 -0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1s26 n LEU 39 Cb 0.15 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.10 1s26 n LEU 39 CO 0.14 0.04 0.00 0.61 -1.11 0.00 0.00 177.39 177.06 1s26 n GLY 40 N 1.43 0.55 3.60 -3.96 0.00 -0.83 -5.09 105.19 100.89 1s26 n GLY 40 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1s26 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s26 s GLN 41 N 0.00 1.93 -0.40 1.61 -0.21 0.15 -4.99 119.66 117.76 1s26 s GLN 41 Ca 0.00 -2.12 0.09 0.00 0.02 0.00 0.00 55.36 53.35 1s26 s GLN 41 Cb 0.00 -1.42 0.29 0.00 1.00 0.00 0.00 33.01 32.87 1s26 s GLN 41 CO 0.00 -0.15 0.67 0.09 -2.12 0.00 0.00 175.29 173.78 1s26 n ASN 42 N -0.97 -0.15 -4.77 5.90 3.02 -1.26 -3.68 115.26 113.35 1s26 n ASN 42 Ca -0.07 -2.93 -0.38 0.00 -0.03 0.00 0.00 54.58 51.17 1s26 n ASN 42 Cb 0.67 -0.17 -0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1s26 n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1s26 s PRO 43 N -1.26 3.85 0.37 3.52 0.04 -1.26 -5.03 135.00 135.24 1s26 s PRO 43 Ca 0.35 1.99 -0.13 0.00 0.04 0.00 0.00 61.00 63.26 1s26 s PRO 43 Cb 0.24 -2.60 -0.08 0.00 0.04 0.00 0.00 34.50 32.11 1s26 s PRO 43 CO -0.11 -0.54 0.76 -0.08 0.04 0.00 0.00 177.00 177.07 1s26 s THR 44 N -1.37 4.73 0.55 1.26 -1.32 -1.26 -4.88 115.64 113.34 1s26 s THR 44 Ca 0.60 0.79 0.30 0.00 -1.21 0.00 0.00 61.69 62.17 1s26 s THR 44 Cb -0.34 -3.68 0.45 0.00 -1.51 0.00 0.00 72.50 67.42 1s26 s THR 44 CO 0.43 -0.37 1.89 -0.33 -2.21 0.00 0.00 174.62 174.03 1s26 h GLU 45 N 1.70 0.00 -0.29 7.08 4.39 -1.97 0.11 114.58 125.60 1s26 h GLU 45 Ca -0.47 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.08 1s26 h GLU 45 Cb 1.18 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1s26 h GLU 45 CO 0.64 0.00 -0.38 0.00 -1.16 0.00 0.00 179.01 178.11 1s26 h ALA 46 N 1.53 0.43 -0.17 3.43 0.00 -2.00 -3.15 119.26 119.33 1s26 h ALA 46 Ca 0.35 -0.45 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1s26 h ALA 46 Cb 1.52 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1s26 h ALA 46 CO -0.00 0.52 -0.64 0.93 0.00 0.00 0.00 179.25 180.06 1s26 h GLU 47 N 0.52 0.61 0.00 0.00 5.08 -1.23 -2.47 114.58 117.09 1s26 h GLU 47 Ca 0.03 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1s26 h GLU 47 Cb 0.97 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1s26 h GLU 47 CO 0.09 1.06 0.00 1.28 -1.00 0.00 0.00 179.01 180.44 1s26 n LEU 48 N -3.93 0.00 0.00 1.33 4.77 -0.36 -3.50 117.00 115.32 1s26 n LEU 48 Ca -0.05 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1s26 n LEU 48 Cb 0.67 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1s26 n LEU 48 CO 0.49 -0.10 0.00 0.00 -1.33 0.00 0.00 177.39 176.45 1s26 n GLN 49 N -1.15 0.00 -0.52 3.23 1.13 -0.96 -4.19 117.38 114.93 1s26 n GLN 49 Ca 0.06 0.00 0.40 0.00 -1.94 0.00 0.00 57.00 55.51 1s26 n GLN 49 Cb 0.05 -0.05 0.63 0.00 0.11 0.00 0.00 30.24 30.98 1s26 n GLN 49 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1s26 n ASP 50 N -1.52 0.05 0.10 1.08 5.68 -1.03 0.13 116.55 121.05 1s26 n ASP 50 Ca 0.00 0.90 -0.24 0.00 -0.50 0.00 0.00 54.79 54.96 1s26 n ASP 50 Cb 0.00 -0.45 -0.15 0.00 -1.14 0.00 0.00 41.12 39.38 1s26 n ASP 50 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1s26 h MET 51 N 0.00 0.45 -0.28 0.11 2.86 -1.84 -2.88 114.93 113.35 1s26 h MET 51 Ca 0.75 -0.77 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1s26 h MET 51 Cb 2.82 0.28 0.00 0.00 0.06 0.00 0.00 31.60 34.77 1s26 h MET 51 CO -0.13 1.36 0.00 1.51 1.06 0.00 0.00 176.91 180.72 1s26 n ILE 52 N -3.63 0.00 0.00 -1.22 0.13 0.34 -2.40 119.36 112.58 1s26 n ILE 52 Ca -0.22 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.43 1s26 n ILE 52 Cb 1.09 -0.24 0.00 0.00 -0.84 0.00 0.00 39.64 39.65 1s26 n ILE 52 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1s26 n ASN 53 N -0.22 3.29 0.00 9.51 5.15 -1.02 -4.45 115.26 127.52 1s26 n ASN 53 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1s26 n ASN 53 Cb 0.07 0.25 0.00 0.00 -0.53 0.00 0.00 39.78 39.57 1s26 n ASN 53 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1s26 n GLU 54 N -1.74 0.00 -0.14 1.20 2.13 -1.01 -2.89 120.64 118.18 1s26 n GLU 54 Ca 0.00 0.45 -0.10 0.00 0.66 0.00 0.00 57.16 58.17 1s26 n GLU 54 Cb 0.35 -1.08 0.04 0.00 0.27 0.00 0.00 31.44 31.02 1s26 n GLU 54 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1s26 h VAL 55 N 0.00 1.27 -2.10 6.31 3.04 -1.82 -3.21 116.25 119.74 1s26 h VAL 55 Ca 0.00 -1.33 -0.78 0.00 -1.01 0.00 0.00 66.70 63.58 1s26 h VAL 55 Cb 0.00 1.10 -0.28 0.00 -2.01 0.00 0.00 31.29 30.10 1s26 h VAL 55 CO 0.00 0.46 0.95 -0.67 -1.01 0.00 0.00 177.57 177.29 1s26 n ASP 56 N -4.12 7.28 0.00 3.17 4.64 -1.25 -4.62 116.55 121.65 1s26 n ASP 56 Ca 0.01 -3.77 0.01 0.00 -1.38 0.00 0.00 54.79 49.66 1s26 n ASP 56 Cb 0.43 -1.08 0.05 0.00 -1.04 0.00 0.00 41.12 39.48 1s26 n ASP 56 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1s26 n ALA 57 N -0.32 2.48 -0.09 -1.67 0.00 -1.14 -4.21 120.51 115.55 1s26 n ALA 57 Ca 0.50 -0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.83 1s26 n ALA 57 Cb 0.26 -1.03 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 1s26 n ALA 57 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1s26 h ASP 58 N 0.00 -1.28 0.00 0.00 3.58 -1.87 -3.47 116.42 113.38 1s26 h ASP 58 Ca 0.00 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1s26 h ASP 58 Cb 0.00 0.52 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1s26 h ASP 58 CO 0.00 -0.28 0.00 0.61 -2.88 0.00 0.00 179.24 176.69 1s26 n GLY 59 N -1.26 1.66 0.00 -0.78 0.00 -1.26 -5.01 105.19 98.54 1s26 n GLY 59 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1s26 n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s26 n ASN 60 N 0.00 1.47 0.00 1.61 4.13 -1.26 -5.04 115.26 116.17 1s26 n ASN 60 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1s26 n ASN 60 Cb 0.00 0.04 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 1s26 n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1s26 n GLY 61 N 2.01 0.75 3.62 7.41 0.00 -1.26 -5.05 105.19 112.66 1s26 n GLY 61 Ca 0.00 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 1s26 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s26 s THR 62 N -2.00 5.22 -0.25 2.61 -4.23 -1.26 -3.18 115.64 112.55 1s26 s THR 62 Ca 0.00 0.48 -0.06 0.00 -1.18 0.00 0.00 61.69 60.93 1s26 s THR 62 Cb 0.00 -3.65 -0.02 0.00 1.34 0.00 0.00 72.50 70.17 1s26 s THR 62 CO 0.00 0.20 0.04 -0.63 -0.54 0.00 0.00 174.62 173.70 1s26 s ILE 63 N 1.82 4.03 0.45 2.99 1.09 0.14 -4.88 121.20 126.84 1s26 s ILE 63 Ca 0.13 -0.31 0.07 0.00 -1.10 0.00 0.00 60.65 59.44 1s26 s ILE 63 Cb -0.15 -2.90 -0.02 0.00 -1.06 0.00 0.00 42.46 38.33 1s26 s ILE 63 CO 0.09 0.33 0.30 1.51 -0.10 0.00 0.00 174.94 177.07 1s26 s ASP 64 N 1.57 4.68 0.14 3.58 1.47 -1.24 -0.36 116.67 126.51 1s26 s ASP 64 Ca 0.06 -1.01 -0.26 0.00 1.18 0.00 0.00 52.55 52.52 1s26 s ASP 64 Cb -0.15 -0.29 -0.01 0.00 -0.34 0.00 0.00 42.92 42.12 1s26 s ASP 64 CO 0.02 -0.71 1.60 -0.26 0.68 0.00 0.00 175.17 176.49 1s26 h PHE 65 N 1.13 -0.96 -0.95 2.11 -1.00 -1.91 -0.92 116.94 114.44 1s26 h PHE 65 Ca -0.41 0.04 0.29 0.00 2.81 0.00 0.00 57.97 60.71 1s26 h PHE 65 Cb 1.27 0.45 -0.15 0.00 3.61 0.00 0.00 35.95 41.13 1s26 h PHE 65 CO 0.68 -0.41 0.36 -1.35 -1.61 0.00 0.00 178.31 175.98 1s26 h PRO 66 N -0.39 0.19 0.20 1.51 0.11 -1.97 0.72 132.00 132.37 1s26 h PRO 66 Ca 0.11 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1s26 h PRO 66 Cb 0.56 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1s26 h PRO 66 CO -0.40 0.12 -0.10 0.93 -0.21 0.00 0.00 178.00 178.35 1s26 h GLU 67 N 0.19 -0.26 -0.66 1.05 5.08 -1.75 -3.02 114.58 115.21 1s26 h GLU 67 Ca 0.66 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 59.18 1s26 h GLU 67 Cb 1.48 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 30.68 1s26 h GLU 67 CO -0.69 -0.17 0.05 0.35 -1.00 0.00 0.00 179.01 177.54 1s26 h PHE 68 N -0.53 0.04 -0.27 4.33 3.57 -0.65 -0.21 116.94 123.22 1s26 h PHE 68 Ca -0.03 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1s26 h PHE 68 Cb 0.21 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1s26 h PHE 68 CO 0.05 -0.15 0.15 -0.07 -2.23 0.00 0.00 178.31 176.07 1s26 h LEU 69 N 0.16 0.32 0.11 0.59 3.38 0.30 -2.27 115.31 117.89 1s26 h LEU 69 Ca 0.35 -0.01 -0.27 0.00 0.09 0.00 0.00 57.88 58.03 1s26 h LEU 69 Cb 0.58 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1s26 h LEU 69 CO -0.53 0.26 -1.23 0.74 0.09 0.00 0.00 178.44 177.77 1s26 h THR 70 N 0.37 1.48 -0.12 0.22 2.02 -0.95 -3.03 112.91 112.90 1s26 h THR 70 Ca 0.10 -3.00 -0.01 0.00 0.77 0.00 0.00 66.41 64.27 1s26 h THR 70 Cb 0.01 2.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 1s26 h THR 70 CO -0.02 0.88 0.05 0.24 0.37 0.00 0.00 175.52 177.04 1s26 h MET 71 N 0.09 0.18 -0.45 6.66 2.86 -0.85 -1.79 114.93 121.63 1s26 h MET 71 Ca -0.14 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1s26 h MET 71 Cb 1.95 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 33.56 1s26 h MET 71 CO 0.20 0.27 0.30 0.52 1.06 0.00 0.00 176.91 179.27 1s26 h MET 72 N 0.05 0.41 0.00 1.72 2.86 -1.53 -2.51 114.93 115.93 1s26 h MET 72 Ca 0.04 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1s26 h MET 72 Cb 0.16 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1s26 h MET 72 CO -0.00 0.27 0.56 0.00 1.06 0.00 0.00 176.91 178.80 1s26 h ALA 73 N 1.75 1.38 0.00 6.32 0.00 -1.19 -2.20 119.26 125.33 1s26 h ALA 73 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1s26 h ALA 73 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1s26 h ALA 73 CO -0.05 -0.38 -1.20 -2.13 0.00 0.00 0.00 179.25 175.49 1s26 n ARG 74 N -1.92 0.09 -0.07 0.00 3.00 -0.94 -4.68 116.66 112.13 1s26 n ARG 74 Ca -0.00 0.02 -0.10 0.00 -0.00 0.00 0.00 57.85 57.77 1s26 n ARG 74 Cb 0.57 -1.00 -0.03 0.00 0.00 0.00 0.00 32.46 31.99 1s26 n ARG 74 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1s26 h LYS 75 N -0.02 0.35 -1.86 -0.14 3.11 -1.53 -2.62 116.57 113.85 1s26 h LYS 75 Ca -0.08 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.71 1s26 h LYS 75 Cb 1.12 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.28 1s26 h LYS 75 CO -0.02 0.34 0.00 -1.33 -2.81 0.00 0.00 179.45 175.64 1s26 n MET 76 N -4.83 0.35 0.00 1.90 2.81 -0.86 -3.86 117.12 112.62 1s26 n MET 76 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1s26 n MET 76 Cb 0.10 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 1s26 n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1s26 n LYS 77 N 1.43 0.00 0.07 0.03 3.00 -0.99 -4.53 118.16 117.17 1s26 n LYS 77 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 1s26 n LYS 77 Cb 0.17 -0.06 0.04 0.00 0.00 0.00 0.00 35.03 35.18 1s26 n LYS 77 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1s26 h ASP 78 N 0.00 0.36 -0.13 3.14 1.82 -1.80 -3.19 116.42 116.61 1s26 h ASP 78 Ca 0.00 -0.24 0.04 0.00 -0.39 0.00 0.00 57.03 56.43 1s26 h ASP 78 Cb 0.00 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 39.90 1s26 h ASP 78 CO 0.00 0.98 0.11 0.00 -1.61 0.00 0.00 179.24 178.73 1s26 h THR 79 N 0.19 0.69 0.00 2.25 1.03 -1.87 -2.91 112.91 112.30 1s26 h THR 79 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.37 1s26 h THR 79 Cb 1.33 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 69.32 1s26 h THR 79 CO 0.12 0.00 0.00 -0.67 -0.01 0.00 0.00 175.52 174.96 1s26 n ASP 80 N -4.13 0.00 0.00 0.00 2.03 -1.21 -3.29 116.55 109.95 1s26 n ASP 80 Ca 0.00 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1s26 n ASP 80 Cb 0.23 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 1s26 n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1s26 n SER 81 N -0.94 0.00 -0.34 1.67 7.64 -1.10 -3.36 113.62 117.20 1s26 n SER 81 Ca 0.00 0.00 0.23 0.00 1.01 0.00 0.00 58.87 60.11 1s26 n SER 81 Cb 0.00 0.00 0.50 0.00 -1.01 0.00 0.00 64.21 63.71 1s26 n SER 81 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1s26 h GLU 82 N 0.00 0.38 -0.06 1.43 4.81 -1.88 -1.28 114.58 117.98 1s26 h GLU 82 Ca 0.00 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1s26 h GLU 82 Cb 0.00 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1s26 h GLU 82 CO 0.00 0.25 -0.11 0.93 -0.73 0.00 0.00 179.01 179.35 1s26 h GLU 83 N 0.39 -0.15 -0.56 1.92 4.39 -1.92 -1.64 114.58 117.01 1s26 h GLU 83 Ca 0.62 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 60.28 1s26 h GLU 83 Cb 1.56 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.22 1s26 h GLU 83 CO -0.33 -0.10 0.14 0.93 -1.16 0.00 0.00 179.01 178.48 1s26 h GLU 84 N -0.15 0.89 -0.46 2.33 3.07 -1.56 -2.59 114.58 116.12 1s26 h GLU 84 Ca 0.06 -0.22 0.08 0.00 -0.50 0.00 0.00 59.36 58.78 1s26 h GLU 84 Cb 0.24 -0.12 -0.07 0.00 -0.84 0.00 0.00 28.75 27.97 1s26 h GLU 84 CO -0.15 0.84 0.07 0.82 -1.40 0.00 0.00 179.01 179.19 1s26 h ILE 85 N 0.80 0.73 -0.92 3.13 2.04 -1.14 0.26 117.51 122.41 1s26 h ILE 85 Ca 0.18 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1s26 h ILE 85 Cb 0.34 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1s26 h ILE 85 CO 0.00 0.04 0.52 -0.09 0.00 0.00 0.00 178.15 178.62 1s26 h ARG 86 N 0.20 1.27 -0.04 2.37 2.43 -1.19 0.17 114.38 119.59 1s26 h ARG 86 Ca 0.23 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 59.16 1s26 h ARG 86 Cb 0.30 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1s26 h ARG 86 CO -0.31 0.91 -0.45 0.93 -1.51 0.00 0.00 179.97 179.53 1s26 h GLU 87 N 1.27 0.10 0.04 0.20 5.08 -0.84 -2.64 114.58 117.79 1s26 h GLU 87 Ca 0.32 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1s26 h GLU 87 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1s26 h GLU 87 CO -0.06 0.53 -0.02 0.00 -1.00 0.00 0.00 179.01 178.47 1s26 h ALA 88 N 1.46 -0.05 -0.77 3.43 0.00 0.79 -2.68 119.26 121.45 1s26 h ALA 88 Ca 0.00 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 54.97 1s26 h ALA 88 Cb 0.84 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.53 1s26 h ALA 88 CO 0.06 -0.43 0.23 0.35 0.00 0.00 0.00 179.25 179.47 1s26 h PHE 89 N -0.25 0.38 0.00 0.00 3.57 -0.49 0.18 116.94 120.33 1s26 h PHE 89 Ca -0.01 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1s26 h PHE 89 Cb 0.23 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 1s26 h PHE 89 CO -0.01 -0.05 -0.12 0.00 -2.23 0.00 0.00 178.31 175.90 1s26 h ARG 90 N 0.32 0.00 -0.53 1.11 3.08 -1.17 -2.30 114.38 114.89 1s26 h ARG 90 Ca 0.44 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.37 1s26 h ARG 90 Cb 0.75 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1s26 h ARG 90 CO -0.50 0.12 -0.13 0.28 -1.07 0.00 0.00 179.97 178.67 1s26 h VAL 91 N 0.00 1.27 0.26 2.04 2.07 -0.33 -3.29 116.25 118.26 1s26 h VAL 91 Ca -0.00 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 1s26 h VAL 91 Cb 0.28 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1s26 h VAL 91 CO 0.02 0.45 -0.12 -0.26 0.02 0.00 0.00 177.57 177.68 1s26 h PHE 92 N 0.89 -0.32 0.00 1.57 -1.00 -1.23 -3.38 116.94 113.47 1s26 h PHE 92 Ca 0.13 -0.01 -0.40 0.00 2.81 0.00 0.00 57.97 60.51 1s26 h PHE 92 Cb 0.71 0.11 0.10 0.00 3.61 0.00 0.00 35.95 40.47 1s26 h PHE 92 CO 0.05 0.04 1.16 -3.47 -1.61 0.00 0.00 178.31 174.48 1s26 n ASP 93 N -5.06 0.56 -0.05 2.17 2.03 -0.98 -4.72 116.55 110.50 1s26 n ASP 93 Ca -0.09 -2.12 0.22 0.00 0.52 0.00 0.00 54.79 53.32 1s26 n ASP 93 Cb 0.26 -0.43 0.70 0.00 -0.72 0.00 0.00 41.12 40.93 1s26 n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1s26 h LYS 94 N 9.14 0.00 -0.02 -0.67 1.57 -1.81 -1.26 116.57 123.52 1s26 h LYS 94 Ca 0.18 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1s26 h LYS 94 Cb 0.53 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1s26 h LYS 94 CO 1.62 0.00 -0.02 -0.40 -0.57 0.00 0.00 179.45 180.08 1s26 n ASP 95 N -4.35 2.01 -3.70 0.86 5.75 -1.26 -4.97 116.55 110.90 1s26 n ASP 95 Ca 0.12 -1.65 -0.25 0.00 -0.01 0.00 0.00 54.79 53.00 1s26 n ASP 95 Cb 0.70 0.02 0.06 0.00 -1.03 0.00 0.00 41.12 40.87 1s26 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s26 n GLY 96 N 1.25 -0.51 0.01 6.12 0.00 -0.48 -4.89 105.19 106.69 1s26 n GLY 96 Ca 0.17 0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.52 1s26 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1s26 n ASN 97 N -2.97 0.67 0.00 1.61 6.94 -1.26 -4.95 115.26 115.31 1s26 n ASN 97 Ca -0.01 -0.45 0.00 0.00 -0.02 0.00 0.00 54.58 54.10 1s26 n ASN 97 Cb 0.56 0.63 0.00 0.00 -2.36 0.00 0.00 39.78 38.61 1s26 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1s26 n GLY 98 N 1.46 0.63 3.11 4.83 0.00 -1.26 -5.06 105.19 108.90 1s26 n GLY 98 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1s26 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s26 s TYR 99 N -2.41 1.15 -0.32 1.61 1.51 -1.26 -4.11 117.35 113.52 1s26 s TYR 99 Ca 0.00 -0.30 -0.16 0.00 -1.01 0.00 0.00 57.07 55.60 1s26 s TYR 99 Cb 0.00 -0.70 -0.02 0.00 -0.11 0.00 0.00 41.96 41.13 1s26 s TYR 99 CO 0.00 0.01 0.42 0.42 -1.11 0.00 0.00 175.55 175.29 1s26 s ILE 100 N -0.66 5.12 0.28 2.71 1.01 0.24 -4.68 121.20 125.22 1s26 s ILE 100 Ca 0.02 0.33 0.04 0.00 0.00 0.00 0.00 60.65 61.04 1s26 s ILE 100 Cb -0.07 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1s26 s ILE 100 CO 0.01 -0.05 0.42 -0.94 0.00 0.00 0.00 174.94 174.38 1s26 s SER 101 N 1.71 6.28 0.18 3.58 1.04 -1.26 -1.65 113.70 123.57 1s26 s SER 101 Ca 0.15 0.14 -0.14 0.00 0.48 0.00 0.00 55.95 56.59 1s26 s SER 101 Cb -0.16 -1.84 0.15 0.00 0.10 0.00 0.00 66.02 64.27 1s26 s SER 101 CO 0.12 -0.16 1.73 0.00 0.98 0.00 0.00 173.24 175.90 1s26 h ALA 102 N 1.03 0.51 -0.50 5.32 0.00 -1.94 -0.52 119.26 123.17 1s26 h ALA 102 Ca -0.51 0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.57 1s26 h ALA 102 Cb 1.23 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 1s26 h ALA 102 CO 0.60 -0.29 0.13 0.00 0.00 0.00 0.00 179.25 179.69 1s26 h ALA 103 N 1.34 0.58 -0.71 0.00 0.00 -1.98 -0.59 119.26 117.91 1s26 h ALA 103 Ca 0.22 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1s26 h ALA 103 Cb 0.27 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1s26 h ALA 103 CO -0.28 -0.28 0.24 0.93 0.00 0.00 0.00 179.25 179.87 1s26 h GLU 104 N 0.28 1.07 -0.80 0.00 5.08 -1.73 -2.32 114.58 116.15 1s26 h GLU 104 Ca 0.25 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1s26 h GLU 104 Cb 0.32 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1s26 h GLU 104 CO -0.30 0.90 0.48 1.25 -1.00 0.00 0.00 179.01 180.34 1s26 h LEU 105 N 1.04 0.97 0.14 1.33 6.46 0.29 -2.09 115.31 123.45 1s26 h LEU 105 Ca 0.23 -0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1s26 h LEU 105 Cb 0.26 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 1s26 h LEU 105 CO -0.01 0.75 -0.10 -0.09 -0.62 0.00 0.00 178.44 178.36 1s26 h ARG 106 N 1.11 -0.24 0.06 1.25 2.43 -0.62 -1.29 114.38 117.08 1s26 h ARG 106 Ca 0.29 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.49 1s26 h ARG 106 Cb -0.04 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1s26 h ARG 106 CO -0.05 -0.16 -0.42 0.45 -1.51 0.00 0.00 179.97 178.28 1s26 h HIS 107 N -0.25 -1.23 -0.89 2.20 3.86 -1.17 0.66 115.15 118.34 1s26 h HIS 107 Ca -0.01 0.04 0.20 0.00 -1.16 0.00 0.00 60.37 59.44 1s26 h HIS 107 Cb 0.22 0.53 -0.12 0.00 1.06 0.00 0.00 27.41 29.10 1s26 h HIS 107 CO -0.10 -0.47 0.41 0.28 0.86 0.00 0.00 177.93 178.92 1s26 h VAL 108 N -0.57 0.54 0.30 2.45 2.07 -1.35 -0.26 116.25 119.43 1s26 h VAL 108 Ca 0.00 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1s26 h VAL 108 Cb 0.59 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1s26 h VAL 108 CO -0.25 0.08 -0.15 0.24 0.02 0.00 0.00 177.57 177.52 1s26 h MET 109 N 0.47 -0.39 -0.75 1.57 2.07 -0.23 -2.90 114.93 114.76 1s26 h MET 109 Ca 0.54 0.03 0.01 0.00 -2.07 0.00 0.00 59.70 58.21 1s26 h MET 109 Cb 0.97 0.09 -0.04 0.00 -1.87 0.00 0.00 31.60 30.75 1s26 h MET 109 CO -0.48 -0.07 0.49 1.79 1.07 0.00 0.00 176.91 179.71 1s26 h THR 110 N -0.79 1.17 0.00 2.22 1.35 0.77 -1.57 112.91 116.06 1s26 h THR 110 Ca -0.04 -0.34 -0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1s26 h THR 110 Cb 0.51 0.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.02 1s26 h THR 110 CO 0.07 0.18 -0.00 0.78 -0.25 0.00 0.00 175.52 176.30 1s26 h ASN 111 N 0.99 0.00 -0.00 5.36 2.35 -1.12 0.11 115.58 123.28 1s26 h ASN 111 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1s26 h ASN 111 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1s26 h ASN 111 CO -0.08 0.00 -0.04 0.18 -1.65 0.00 0.00 177.43 175.84 1s26 n LEU 112 N -3.08 2.02 0.00 1.61 4.77 -0.62 -4.99 117.00 116.71 1s26 n LEU 112 Ca -0.02 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1s26 n LEU 112 Cb 0.15 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1s26 n LEU 112 CO 0.22 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1s26 n GLY 113 N 1.26 2.38 3.52 -0.72 0.00 0.39 -5.04 105.19 106.98 1s26 n GLY 113 Ca 0.16 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 1s26 n GLY 113 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1s26 n GLU 114 N 0.00 0.49 -2.75 1.61 4.07 -1.21 -4.75 120.64 118.11 1s26 n GLU 114 Ca 0.00 -0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.69 1s26 n GLU 114 Cb 0.00 -2.43 -0.04 0.00 -0.06 0.00 0.00 31.44 28.91 1s26 n GLU 114 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1s26 s LYS 115 N 8.65 4.69 0.13 5.31 -0.14 -1.26 -3.46 119.74 133.66 1s26 s LYS 115 Ca 1.18 1.43 0.06 0.00 -1.36 0.00 0.00 55.97 57.28 1s26 s LYS 115 Cb -0.75 -3.37 -0.04 0.00 -1.68 0.00 0.00 37.83 31.99 1s26 s LYS 115 CO 0.38 0.23 -0.13 -0.51 -0.76 0.00 0.00 175.35 174.55 1s26 s LEU 116 N -0.04 2.44 0.19 3.17 1.43 -1.26 -5.04 118.68 119.57 1s26 s LEU 116 Ca 0.46 -0.86 -0.14 0.00 -1.03 0.00 0.00 54.13 52.56 1s26 s LEU 116 Cb -0.23 -0.53 -0.07 0.00 0.03 0.00 0.00 46.19 45.38 1s26 s LEU 116 CO 0.29 -0.18 0.59 0.42 0.23 0.00 0.00 176.35 177.71 1s26 s THR 117 N -2.40 4.81 0.60 5.49 -4.23 -1.26 -4.90 115.64 113.74 1s26 s THR 117 Ca 0.11 0.85 0.29 0.00 -1.18 0.00 0.00 61.69 61.76 1s26 s THR 117 Cb -0.03 -3.72 0.40 0.00 1.34 0.00 0.00 72.50 70.48 1s26 s THR 117 CO 0.03 0.15 1.64 0.44 -0.54 0.00 0.00 174.62 176.34 1s26 h ASP 118 N 3.27 0.00 0.53 3.99 3.45 -2.01 0.13 116.42 125.78 1s26 h ASP 118 Ca -0.48 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 56.95 1s26 h ASP 118 Cb 1.19 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.96 1s26 h ASP 118 CO 0.66 0.00 -0.26 -0.33 -1.57 0.00 0.00 179.24 177.74 1s26 h GLU 119 N 0.00 -0.69 -0.31 3.56 4.39 -1.99 -2.71 114.58 116.83 1s26 h GLU 119 Ca 0.35 0.05 0.06 0.00 0.34 0.00 0.00 59.36 60.16 1s26 h GLU 119 Cb 1.98 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 30.73 1s26 h GLU 119 CO -0.00 -0.46 -0.05 0.93 -1.16 0.00 0.00 179.01 178.26 1s26 h GLU 120 N -1.07 0.03 -0.01 2.33 5.08 -1.19 -2.27 114.58 117.48 1s26 h GLU 120 Ca -0.07 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1s26 h GLU 120 Cb 0.55 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1s26 h GLU 120 CO 0.12 0.02 -0.48 0.28 -1.00 0.00 0.00 179.01 177.95 1s26 h VAL 121 N 0.03 0.00 0.00 3.13 2.07 -1.32 0.27 116.25 120.43 1s26 h VAL 121 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1s26 h VAL 121 Cb 0.22 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1s26 h VAL 121 CO -0.30 0.00 0.14 0.47 0.02 0.00 0.00 177.57 177.90 1s26 n ASP 122 N -5.12 0.45 0.11 0.57 8.00 -1.02 0.20 116.55 119.73 1s26 n ASP 122 Ca -0.06 0.66 -0.20 0.00 0.71 0.00 0.00 54.79 55.90 1s26 n ASP 122 Cb 0.35 -0.68 -0.15 0.00 -0.02 0.00 0.00 41.12 40.63 1s26 n ASP 122 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1s26 h GLU 123 N 0.00 0.37 -0.07 -1.24 4.39 0.09 -3.10 114.58 115.02 1s26 h GLU 123 Ca 0.00 -0.63 -0.02 0.00 0.34 0.00 0.00 59.36 59.05 1s26 h GLU 123 Cb 0.27 0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1s26 h GLU 123 CO 0.00 1.28 -0.05 0.52 -1.16 0.00 0.00 179.01 179.60 1s26 h MET 124 N 0.10 0.16 -0.26 2.33 2.86 0.84 -2.19 114.93 118.77 1s26 h MET 124 Ca -0.22 -0.08 0.05 0.00 -2.06 0.00 0.00 59.70 57.40 1s26 h MET 124 Cb 2.06 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.67 1s26 h MET 124 CO 0.22 0.57 -0.03 0.82 1.06 0.00 0.00 176.91 179.55 1s26 h ILE 125 N -0.25 0.77 -0.73 -1.22 1.08 -1.53 -1.94 117.51 113.69 1s26 h ILE 125 Ca 0.01 -0.01 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 1s26 h ILE 125 Cb 0.53 0.73 -0.05 0.00 -3.07 0.00 0.00 36.82 34.96 1s26 h ILE 125 CO 0.01 0.01 0.44 -0.09 -0.69 0.00 0.00 178.15 177.83 1s26 h ARG 126 N 0.04 0.81 -0.42 2.37 9.65 -1.54 0.47 114.38 125.76 1s26 h ARG 126 Ca 0.13 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 1s26 h ARG 126 Cb 0.18 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 1s26 h ARG 126 CO -0.24 0.54 0.25 0.93 2.80 0.00 0.00 179.97 184.25 1s26 h GLU 127 N 0.84 0.57 -0.03 0.20 4.39 -0.90 -2.68 114.58 116.96 1s26 h GLU 127 Ca 0.31 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.81 1s26 h GLU 127 Cb 0.11 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1s26 h GLU 127 CO -0.15 0.42 -0.67 0.00 -1.16 0.00 0.00 179.01 177.45 1s26 h ALA 128 N 1.11 0.81 -2.76 3.43 0.00 -0.88 -3.44 119.26 117.52 1s26 h ALA 128 Ca 0.15 -0.60 -0.53 0.00 0.00 0.00 0.00 54.91 53.93 1s26 h ALA 128 Cb 0.00 -0.09 0.08 0.00 0.00 0.00 0.00 17.79 17.78 1s26 h ALA 128 CO -0.03 0.80 0.90 -3.47 0.00 0.00 0.00 179.25 177.45 1s26 n ASP 129 N -3.79 3.90 -0.02 0.00 -0.08 0.16 -4.84 116.55 111.87 1s26 n ASP 129 Ca -0.02 1.13 -0.02 0.00 -1.51 0.00 0.00 54.79 54.37 1s26 n ASP 129 Cb 0.66 -1.59 -0.03 0.00 2.34 0.00 0.00 41.12 42.50 1s26 n ASP 129 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1s26 n ILE 130 N 2.40 0.27 -0.38 5.18 5.41 -1.26 -4.65 119.36 126.33 1s26 n ILE 130 Ca 0.10 -0.14 0.11 0.00 1.00 0.00 0.00 62.75 63.82 1s26 n ILE 130 Cb 0.36 -0.81 0.32 0.00 -0.71 0.00 0.00 39.64 38.81 1s26 n ILE 130 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1s26 n ASP 131 N -2.35 3.95 -2.65 4.38 5.75 -1.26 -4.97 116.55 119.39 1s26 n ASP 131 Ca -0.07 -2.03 -0.19 0.00 -0.01 0.00 0.00 54.79 52.49 1s26 n ASP 131 Cb 0.61 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1s26 n ASP 131 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s26 n GLY 132 N 1.55 -0.50 0.62 6.12 0.00 -1.26 -4.87 105.19 106.85 1s26 n GLY 132 Ca 0.24 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.36 1s26 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s26 n ASP 133 N -2.11 1.82 0.00 1.61 5.75 -1.26 -4.89 116.55 117.46 1s26 n ASP 133 Ca -0.17 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 1s26 n ASP 133 Cb 0.64 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1s26 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s26 n GLY 134 N 1.05 0.84 3.16 6.12 0.00 -1.26 -4.98 105.19 110.12 1s26 n GLY 134 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 1s26 n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1s26 s GLN 135 N -0.16 0.88 -0.19 1.61 -2.07 -1.26 -4.70 119.66 113.78 1s26 s GLN 135 Ca 0.00 -1.40 -0.03 0.00 -1.82 0.00 0.00 55.36 52.11 1s26 s GLN 135 Cb 0.00 0.11 -0.01 0.00 -1.09 0.00 0.00 33.01 32.01 1s26 s GLN 135 CO 0.00 -0.19 -0.07 0.08 -1.32 0.00 0.00 175.29 173.80 1s26 s VAL 136 N -3.92 3.34 0.43 3.63 1.01 -0.66 -4.77 120.40 119.47 1s26 s VAL 136 Ca 0.19 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1s26 s VAL 136 Cb 0.07 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1s26 s VAL 136 CO -0.01 0.46 0.61 0.54 0.00 0.00 0.00 175.10 176.70 1s26 s ASN 137 N 1.07 5.73 0.25 3.32 2.20 -1.26 0.81 114.94 127.07 1s26 s ASN 137 Ca 0.01 -0.06 -0.04 0.00 -0.94 0.00 0.00 52.86 51.83 1s26 s ASN 137 Cb -0.15 -1.14 0.49 0.00 -2.00 0.00 0.00 41.25 38.45 1s26 s ASN 137 CO -0.01 -0.71 1.70 0.22 -2.94 0.00 0.00 177.10 175.37 1s26 h TYR 138 N 0.54 0.42 -0.49 1.54 3.20 -1.99 0.12 116.97 120.31 1s26 h TYR 138 Ca -0.44 0.04 0.10 0.00 3.14 0.00 0.00 58.73 61.57 1s26 h TYR 138 Cb 1.27 -0.07 -0.09 0.00 1.54 0.00 0.00 36.73 39.38 1s26 h TYR 138 CO 0.42 -0.02 -0.13 0.93 -1.64 0.00 0.00 178.16 177.72 1s26 h GLU 139 N 0.36 -0.01 0.84 1.82 3.07 -1.95 0.13 114.58 118.83 1s26 h GLU 139 Ca 0.43 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.25 1s26 h GLU 139 Cb 0.71 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.64 1s26 h GLU 139 CO -0.47 -0.01 -0.40 0.93 -1.40 0.00 0.00 179.01 177.66 1s26 h GLU 140 N -0.01 -1.08 -1.36 2.33 5.08 -1.61 -2.65 114.58 115.27 1s26 h GLU 140 Ca 0.23 0.07 0.46 0.00 -1.00 0.00 0.00 59.36 59.12 1s26 h GLU 140 Cb 0.37 0.25 -0.13 0.00 0.50 0.00 0.00 28.75 29.73 1s26 h GLU 140 CO -0.51 -0.72 0.88 0.35 -1.00 0.00 0.00 179.01 178.01 1s26 h PHE 141 N -1.25 0.50 -0.10 4.33 3.57 -0.51 0.90 116.94 124.37 1s26 h PHE 141 Ca -0.11 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 1s26 h PHE 141 Cb 0.86 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 1s26 h PHE 141 CO 0.01 -0.24 -0.03 0.28 -2.23 0.00 0.00 178.31 176.11 1s26 h VAL 142 N 0.05 1.29 0.31 1.41 2.07 -0.46 -2.41 116.25 118.51 1s26 h VAL 142 Ca 0.85 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1s26 h VAL 142 Cb 2.72 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 34.20 1s26 h VAL 142 CO -0.43 0.27 -0.34 1.56 0.02 0.00 0.00 177.57 178.65 1s26 h GLN 143 N -0.12 -0.64 -0.23 1.57 1.08 0.11 1.58 115.11 118.45 1s26 h GLN 143 Ca 0.03 0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.34 1s26 h GLN 143 Cb 0.44 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1s26 h GLN 143 CO 0.01 -0.42 0.71 1.98 -0.95 0.00 0.00 178.83 180.15 1s26 h MET 144 N -0.66 0.00 0.00 1.46 4.05 -1.22 0.19 114.93 118.75 1s26 h MET 144 Ca -0.04 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.12 1s26 h MET 144 Cb 0.58 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.33 1s26 h MET 144 CO -0.06 0.00 -2.00 -0.12 0.23 0.00 0.00 176.91 174.96 1s26 n MET 145 N -2.95 0.97 0.07 0.39 0.00 -0.67 -4.62 117.12 110.30 1s26 n MET 145 Ca 0.04 0.06 -0.05 0.00 -0.00 0.00 0.00 57.70 57.75 1s26 n MET 145 Cb 0.80 -1.36 -0.03 0.00 0.00 0.00 0.00 33.22 32.63 1s26 n MET 145 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1s26 h THR 146 N 0.00 0.00 -0.01 1.12 2.02 0.42 -3.51 112.91 112.95 1s26 h THR 146 Ca -0.39 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1s26 h THR 146 Cb 1.73 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1s26 h THR 146 CO -0.03 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.86