#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m45 s ARG 5 N 0.00 4.29 0.52 -2.82 1.81 -1.26 -4.96 118.95 116.52 1m45 s ARG 5 Ca 0.00 2.14 -0.20 0.00 -1.72 0.00 0.00 55.73 55.96 1m45 s ARG 5 Cb 0.00 -3.24 -0.07 0.00 -0.45 0.00 0.00 34.95 31.19 1m45 s ARG 5 CO 0.00 -0.49 1.07 0.00 -0.68 0.00 0.00 175.30 175.21 1m45 s ALA 6 N 1.17 2.80 0.17 2.13 0.00 -1.26 -4.97 121.76 121.80 1m45 s ALA 6 Ca 0.66 0.67 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 1m45 s ALA 6 Cb -0.38 -3.29 0.08 0.00 0.00 0.00 0.00 23.12 19.52 1m45 s ALA 6 CO 0.30 -0.52 1.71 -0.97 0.00 0.00 0.00 175.76 176.29 1m45 h ASN 7 N 1.34 0.88 -6.49 0.00 -0.00 -1.94 -3.46 115.58 105.91 1m45 h ASN 7 Ca -0.49 -0.20 -0.51 0.00 -0.00 0.00 0.00 56.30 55.10 1m45 h ASN 7 Cb 1.23 -0.23 -0.10 0.00 -0.00 0.00 0.00 38.32 39.22 1m45 h ASN 7 CO 0.58 0.85 -0.80 0.29 -0.00 0.00 0.00 177.43 178.35 1m45 n LYS 8 N -4.40 -4.39 -1.79 6.67 5.02 -1.26 -1.20 118.16 116.81 1m45 n LYS 8 Ca 0.04 0.49 -0.20 0.00 -2.02 0.00 0.00 58.31 56.62 1m45 n LYS 8 Cb 0.20 -5.24 -0.07 0.00 -0.02 0.00 0.00 35.03 29.90 1m45 n LYS 8 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1m45 n ASP 9 N -2.79 -5.53 0.09 4.39 2.03 -1.26 -4.89 116.55 108.59 1m45 n ASP 9 Ca 0.01 0.37 -0.11 0.00 0.52 0.00 0.00 54.79 55.58 1m45 n ASP 9 Cb 0.53 -4.75 -0.07 0.00 -0.72 0.00 0.00 41.12 36.11 1m45 n ASP 9 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1m45 h ILE 10 N 0.00 1.52 -0.99 5.18 2.04 -1.53 -3.32 117.51 120.40 1m45 h ILE 10 Ca -0.43 -2.86 0.21 0.00 1.00 0.00 0.00 64.86 62.78 1m45 h ILE 10 Cb 1.33 2.67 -0.10 0.00 -0.74 0.00 0.00 36.82 39.99 1m45 h ILE 10 CO 0.60 0.83 0.62 0.15 0.00 0.00 0.00 178.15 180.35 1m45 h PHE 11 N 0.10 0.88 0.00 1.37 3.04 -1.90 0.26 116.94 120.68 1m45 h PHE 11 Ca -0.07 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.86 1m45 h PHE 11 Cb 1.71 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 39.95 1m45 h PHE 11 CO 0.04 0.17 -0.20 1.79 -2.02 0.00 0.00 178.31 178.09 1m45 h THR 12 N 0.60 0.89 0.00 4.41 1.35 -1.88 -1.35 112.91 116.94 1m45 h THR 12 Ca 0.57 -0.74 -0.06 0.00 -0.55 0.00 0.00 66.41 65.63 1m45 h THR 12 Cb 1.10 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 1m45 h THR 12 CO -0.33 0.19 -0.27 -0.07 -0.25 0.00 0.00 175.52 174.79 1m45 h LEU 13 N 0.00 0.00 0.00 3.87 3.38 -1.13 -2.27 115.31 119.16 1m45 h LEU 13 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1m45 h LEU 13 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1m45 h LEU 13 CO 0.03 0.27 -0.67 0.49 0.09 0.00 0.00 178.44 178.65 1m45 n PHE 14 N -3.41 0.45 -3.41 1.13 3.01 -0.61 -4.44 117.46 110.18 1m45 n PHE 14 Ca 0.00 0.13 -0.26 0.00 1.01 0.00 0.00 57.45 58.33 1m45 n PHE 14 Cb 0.47 -0.58 -0.08 0.00 -0.01 0.00 0.00 39.48 39.27 1m45 n PHE 14 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1m45 n ASP 15 N -2.02 2.63 -0.17 4.37 2.03 -0.63 -4.70 116.55 118.07 1m45 n ASP 15 Ca 0.03 -3.19 0.06 0.00 0.52 0.00 0.00 54.79 52.21 1m45 n ASP 15 Cb 0.43 -0.67 0.31 0.00 -0.72 0.00 0.00 41.12 40.47 1m45 n ASP 15 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1m45 n LYS 16 N 1.17 1.22 -0.39 -0.67 5.02 -1.20 -3.37 118.16 119.92 1m45 n LYS 16 Ca 0.27 -0.33 0.07 0.00 -2.02 0.00 0.00 58.31 56.29 1m45 n LYS 16 Cb 0.44 -1.22 0.20 0.00 -0.02 0.00 0.00 35.03 34.43 1m45 n LYS 16 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1m45 n LYS 17 N -0.37 2.05 -4.13 1.97 5.02 -1.26 -4.99 118.16 116.44 1m45 n LYS 17 Ca 0.10 -2.86 -0.31 0.00 -2.02 0.00 0.00 58.31 53.22 1m45 n LYS 17 Cb 0.12 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.39 1m45 n LYS 17 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1m45 n GLY 18 N -1.00 -0.32 0.08 0.72 0.00 -1.22 -4.88 105.19 98.58 1m45 n GLY 18 Ca 0.21 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.49 1m45 n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1m45 h GLN 19 N -1.65 0.00 -0.30 1.61 1.08 -1.94 -3.47 115.11 110.43 1m45 h GLN 19 Ca -0.62 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 56.45 1m45 h GLN 19 Cb 1.38 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.76 1m45 h GLN 19 CO 0.71 0.00 -0.12 0.41 -0.95 0.00 0.00 178.83 178.88 1m45 n GLY 20 N 1.28 0.85 3.38 3.46 0.00 -1.26 -4.98 105.19 107.92 1m45 n GLY 20 Ca 0.02 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 1m45 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m45 s ALA 21 N -2.12 -1.31 0.24 4.61 0.00 -1.26 -4.26 121.76 117.66 1m45 s ALA 21 Ca 0.00 0.30 0.09 0.00 0.00 0.00 0.00 51.96 52.35 1m45 s ALA 21 Cb 0.00 0.74 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 1m45 s ALA 21 CO 0.00 -0.68 -0.16 0.96 0.00 0.00 0.00 175.76 175.88 1m45 s ILE 22 N -3.59 2.02 0.27 0.00 -4.36 -0.25 -4.75 121.20 110.54 1m45 s ILE 22 Ca 0.01 -2.28 -0.30 0.00 -0.26 0.00 0.00 60.65 57.82 1m45 s ILE 22 Cb 0.00 -2.19 -0.13 0.00 1.25 0.00 0.00 42.46 41.40 1m45 s ILE 22 CO -0.11 -0.49 1.40 0.00 0.24 0.00 0.00 174.94 175.98 1m45 n ALA 23 N -0.50 1.33 -0.09 2.27 0.00 -1.26 -0.63 120.51 121.63 1m45 n ALA 23 Ca -0.07 0.40 0.05 0.00 0.00 0.00 0.00 53.44 53.82 1m45 n ALA 23 Cb 0.61 -2.29 0.39 0.00 0.00 0.00 0.00 19.45 18.15 1m45 n ALA 23 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1m45 h LYS 24 N 3.92 0.65 0.00 0.00 3.64 -1.42 -0.56 116.57 122.80 1m45 h LYS 24 Ca -0.45 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1m45 h LYS 24 Cb 1.27 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1m45 h LYS 24 CO 0.73 0.43 0.00 -0.40 -2.27 0.00 0.00 179.45 177.94 1m45 n ASP 25 N -4.47 0.00 -0.97 4.20 5.68 -1.26 -2.01 116.55 117.72 1m45 n ASP 25 Ca 0.06 -0.14 0.12 0.00 -0.50 0.00 0.00 54.79 54.33 1m45 n ASP 25 Cb 0.12 -0.20 0.18 0.00 -1.14 0.00 0.00 41.12 40.08 1m45 n ASP 25 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1m45 n SER 26 N -1.20 2.98 -0.27 -1.12 7.64 -0.22 -4.53 113.62 116.90 1m45 n SER 26 Ca 0.10 -1.95 -0.06 0.00 1.01 0.00 0.00 58.87 57.97 1m45 n SER 26 Cb 0.12 -0.08 0.06 0.00 -1.01 0.00 0.00 64.21 63.29 1m45 n SER 26 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1m45 h LEU 27 N 4.37 0.98 -0.25 -3.43 5.85 -1.48 -1.20 115.31 120.16 1m45 h LEU 27 Ca 0.00 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1m45 h LEU 27 Cb 0.94 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1m45 h LEU 27 CO 0.00 0.84 0.09 1.23 -0.34 0.00 0.00 178.44 180.26 1m45 h GLY 28 N 1.05 0.31 1.73 3.75 0.00 -1.82 -0.36 103.07 107.72 1m45 h GLY 28 Ca 0.26 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.44 1m45 h GLY 28 CO -0.03 0.04 -0.28 -0.55 0.00 0.00 0.00 176.54 175.72 1m45 h ASP 29 N 0.21 0.32 -0.30 0.19 3.45 -1.79 -0.77 116.42 117.72 1m45 h ASP 29 Ca 0.11 -0.10 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 1m45 h ASP 29 Cb 0.07 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 1m45 h ASP 29 CO -0.10 0.59 0.13 0.22 -1.57 0.00 0.00 179.24 178.51 1m45 h TYR 30 N 0.28 0.45 -0.74 4.55 3.20 -0.86 0.16 116.97 124.01 1m45 h TYR 30 Ca 0.04 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1m45 h TYR 30 Cb 0.64 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 1m45 h TYR 30 CO 0.01 0.42 0.42 -0.07 -1.64 0.00 0.00 178.16 177.30 1m45 h LEU 31 N 0.35 0.90 -0.41 2.82 3.38 -0.69 -1.73 115.31 119.93 1m45 h LEU 31 Ca 0.10 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1m45 h LEU 31 Cb 0.15 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1m45 h LEU 31 CO -0.01 0.72 0.03 0.03 0.09 0.00 0.00 178.44 179.30 1m45 h ARG 32 N 1.03 0.71 -0.64 1.13 3.08 -0.89 -0.96 114.38 117.84 1m45 h ARG 32 Ca 0.26 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1m45 h ARG 32 Cb 0.00 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1m45 h ARG 32 CO -0.04 0.78 0.38 0.00 -1.07 0.00 0.00 179.97 180.01 1m45 h ALA 33 N 0.91 1.47 -0.00 0.04 0.00 0.16 -0.67 119.26 121.16 1m45 h ALA 33 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1m45 h ALA 33 Cb 0.43 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1m45 h ALA 33 CO 0.02 0.46 -0.06 0.44 0.00 0.00 0.00 179.25 180.10 1m45 n ILE 34 N -4.41 0.00 0.00 0.00 -5.35 -0.79 -4.90 119.36 103.91 1m45 n ILE 34 Ca 0.06 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 1m45 n ILE 34 Cb 0.07 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 37.70 1m45 n ILE 34 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1m45 n GLY 35 N 1.25 0.67 3.95 3.28 0.00 -0.26 -4.66 105.19 109.42 1m45 n GLY 35 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1m45 n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1m45 s TYR 36 N -1.14 3.06 -0.42 1.61 1.51 -0.38 -4.86 117.35 116.73 1m45 s TYR 36 Ca 0.00 0.24 0.11 0.00 -1.01 0.00 0.00 57.07 56.41 1m45 s TYR 36 Cb 0.00 -2.65 0.36 0.00 -0.11 0.00 0.00 41.96 39.55 1m45 s TYR 36 CO 0.00 -0.75 0.81 0.09 -1.11 0.00 0.00 175.55 174.59 1m45 n ASN 37 N -2.37 1.88 -4.78 2.29 3.02 -1.26 -3.99 115.26 110.06 1m45 n ASN 37 Ca 0.05 -3.17 -0.35 0.00 -0.03 0.00 0.00 54.58 51.09 1m45 n ASN 37 Cb 0.59 -0.59 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1m45 n ASN 37 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1m45 s PRO 38 N -2.78 3.49 0.63 3.52 0.04 -1.26 -4.87 135.00 133.77 1m45 s PRO 38 Ca 0.41 1.50 -0.13 0.00 0.04 0.00 0.00 61.00 62.83 1m45 s PRO 38 Cb 0.34 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.83 1m45 s PRO 38 CO -0.09 -0.72 1.04 0.95 0.04 0.00 0.00 177.00 178.23 1m45 s THR 39 N -1.89 4.17 0.35 1.26 -4.23 -1.26 -4.95 115.64 109.09 1m45 s THR 39 Ca 0.70 0.82 0.06 0.00 -1.18 0.00 0.00 61.69 62.10 1m45 s THR 39 Cb -0.21 -3.53 0.30 0.00 1.34 0.00 0.00 72.50 70.41 1m45 s THR 39 CO 0.25 -0.81 1.91 0.78 -0.54 0.00 0.00 174.62 176.21 1m45 h ASN 40 N -0.15 0.71 -0.56 3.99 2.35 -2.00 -2.16 115.58 117.76 1m45 h ASN 40 Ca -0.45 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.36 1m45 h ASN 40 Cb 1.21 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 39.41 1m45 h ASN 40 CO 0.59 0.42 0.32 -0.61 -1.65 0.00 0.00 177.43 176.49 1m45 h GLN 41 N 0.79 0.60 -0.90 0.81 5.75 -2.00 -1.88 115.11 118.29 1m45 h GLN 41 Ca 0.39 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.85 1m45 h GLN 41 Cb 0.45 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.82 1m45 h GLN 41 CO -0.16 0.40 0.56 1.25 -2.65 0.00 0.00 178.83 178.23 1m45 h LEU 42 N 0.62 1.06 -0.24 -2.39 5.85 -1.78 -0.37 115.31 118.07 1m45 h LEU 42 Ca 0.23 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.92 1m45 h LEU 42 Cb 0.07 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1m45 h LEU 42 CO -0.12 0.80 0.08 0.58 -0.34 0.00 0.00 178.44 179.44 1m45 h VAL 43 N 1.23 0.94 -0.81 1.05 2.07 -1.15 -1.28 116.25 118.31 1m45 h VAL 43 Ca 0.32 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 1m45 h VAL 43 Cb -0.08 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1m45 h VAL 43 CO -0.06 0.04 0.45 1.56 0.02 0.00 0.00 177.57 179.57 1m45 h GLN 44 N 0.19 1.12 -0.63 1.57 1.08 -0.81 -1.70 115.11 115.94 1m45 h GLN 44 Ca 0.10 -0.12 -0.07 0.00 -1.45 0.00 0.00 58.65 57.11 1m45 h GLN 44 Cb 0.07 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 1m45 h GLN 44 CO -0.11 0.82 0.10 -0.44 -0.95 0.00 0.00 178.83 178.25 1m45 h ASP 45 N 1.13 0.98 -0.13 1.46 3.32 -0.65 0.16 116.42 122.68 1m45 h ASP 45 Ca 0.29 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1m45 h ASP 45 Cb 0.02 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1m45 h ASP 45 CO -0.05 0.98 0.06 0.40 -1.72 0.00 0.00 179.24 178.91 1m45 h ILE 46 N 0.96 1.14 -0.10 0.35 2.04 -0.75 -2.77 117.51 118.39 1m45 h ILE 46 Ca 0.19 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 1m45 h ILE 46 Cb 0.42 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1m45 h ILE 46 CO 0.01 0.13 -0.18 0.40 0.00 0.00 0.00 178.15 178.50 1m45 h ILE 47 N 0.08 1.39 0.00 -0.67 1.08 -1.17 -3.22 117.51 115.00 1m45 h ILE 47 Ca 0.05 -1.46 0.00 0.00 -0.39 0.00 0.00 64.86 63.06 1m45 h ILE 47 Cb 0.15 2.10 0.00 0.00 -3.07 0.00 0.00 36.82 36.00 1m45 h ILE 47 CO -0.00 0.42 0.00 0.59 -0.69 0.00 0.00 178.15 178.46 1m45 n ASN 48 N -4.55 0.42 0.00 1.72 3.02 0.54 -4.91 115.26 111.51 1m45 n ASN 48 Ca -0.07 0.66 0.14 0.00 -0.03 0.00 0.00 54.58 55.29 1m45 n ASN 48 Cb 0.40 -0.73 0.81 0.00 -0.61 0.00 0.00 39.78 39.65 1m45 n ASN 48 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1m45 n ALA 49 N -1.70 2.52 0.00 5.41 0.00 -1.05 -5.06 120.51 120.63 1m45 n ALA 49 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1m45 n ALA 49 Cb 0.09 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.06 1m45 n ALA 49 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1m45 n SER 52 N -1.13 0.00 -4.58 0.00 3.41 -1.26 -5.14 113.62 104.92 1m45 n SER 52 Ca 0.18 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.37 1m45 n SER 52 Cb 0.16 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.07 1m45 n SER 52 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1m45 s LEU 53 N 0.00 4.01 0.30 1.04 1.43 -1.26 -5.16 118.68 119.03 1m45 s LEU 53 Ca 0.00 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1m45 s LEU 53 Cb 0.00 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 43.01 1m45 s LEU 53 CO 0.00 -0.94 0.00 0.00 0.23 0.00 0.00 176.35 175.64 1m45 n ALA 56 N 6.93 -1.78 1.46 4.21 0.00 -1.26 -4.97 120.51 125.10 1m45 n ALA 56 Ca 0.06 0.31 0.10 0.00 0.00 0.00 0.00 53.44 53.92 1m45 n ALA 56 Cb 0.48 -1.00 0.44 0.00 0.00 0.00 0.00 19.45 19.37 1m45 n ALA 56 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1m45 n SER 57 N -2.76 1.18 -4.12 0.00 7.64 -1.26 -4.92 113.62 109.38 1m45 n SER 57 Ca -0.02 -1.61 -0.09 0.00 1.01 0.00 0.00 58.87 58.16 1m45 n SER 57 Cb 0.27 -0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.31 1m45 n SER 57 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1m45 s SER 58 N -1.60 0.29 -0.02 6.43 1.04 -1.26 -1.10 113.70 117.47 1m45 s SER 58 Ca 0.32 -1.14 0.04 0.00 0.48 0.00 0.00 55.95 55.65 1m45 s SER 58 Cb 0.16 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.58 1m45 s SER 58 CO 0.25 -0.74 -0.14 -0.76 0.98 0.00 0.00 173.24 172.84 1m45 s LEU 59 N -3.02 1.94 0.70 2.42 1.43 0.20 -4.78 118.68 117.56 1m45 s LEU 59 Ca 0.21 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 1m45 s LEU 59 Cb 0.07 -0.75 0.01 0.00 0.03 0.00 0.00 46.19 45.55 1m45 s LEU 59 CO 0.00 0.14 1.09 0.42 0.23 0.00 0.00 176.35 178.24 1m45 s THR 60 N -0.11 3.57 0.22 5.49 -4.23 -1.26 -1.09 115.64 118.23 1m45 s THR 60 Ca 0.01 0.50 -0.07 0.00 -1.18 0.00 0.00 61.69 60.94 1m45 s THR 60 Cb -0.08 -3.50 0.19 0.00 1.34 0.00 0.00 72.50 70.45 1m45 s THR 60 CO 0.00 -0.66 1.83 0.25 -0.54 0.00 0.00 174.62 175.50 1m45 h LEU 61 N -0.62 1.10 -1.24 4.79 5.85 -1.98 -0.87 115.31 122.34 1m45 h LEU 61 Ca -0.45 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.11 1m45 h LEU 61 Cb 1.25 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1m45 h LEU 61 CO 0.64 0.91 0.07 0.44 -0.34 0.00 0.00 178.44 180.16 1m45 h ASP 62 N 1.21 0.55 -0.30 1.25 3.32 -1.93 0.86 116.42 121.37 1m45 h ASP 62 Ca 0.30 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 57.11 1m45 h ASP 62 Cb 0.08 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1m45 h ASP 62 CO -0.04 0.57 -0.40 1.56 -1.72 0.00 0.00 179.24 179.21 1m45 h GLN 63 N 0.57 0.85 -0.44 3.56 4.20 -1.75 -1.26 115.11 120.85 1m45 h GLN 63 Ca 0.13 -0.45 -0.10 0.00 0.06 0.00 0.00 58.65 58.29 1m45 h GLN 63 Cb 0.26 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1m45 h GLN 63 CO 0.00 1.09 -0.12 0.82 -0.67 0.00 0.00 178.83 179.95 1m45 h ILE 64 N 0.70 1.27 -0.81 2.54 2.04 -0.66 -0.78 117.51 121.81 1m45 h ILE 64 Ca 0.06 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 1m45 h ILE 64 Cb 0.97 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 1m45 h ILE 64 CO 0.09 0.42 0.47 0.74 0.00 0.00 0.00 178.15 179.88 1m45 h THR 65 N 0.69 1.23 -0.47 -0.27 2.02 -0.76 -0.09 112.91 115.26 1m45 h THR 65 Ca 0.11 -0.53 0.03 0.00 0.77 0.00 0.00 66.41 66.78 1m45 h THR 65 Cb 0.67 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1m45 h THR 65 CO 0.05 0.25 0.26 1.23 0.37 0.00 0.00 175.52 177.68 1m45 h GLY 66 N 1.12 0.66 1.02 2.16 0.00 -0.90 -1.12 103.07 106.02 1m45 h GLY 66 Ca 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1m45 h GLY 66 CO -0.05 0.15 0.51 1.41 0.00 0.00 0.00 176.54 178.56 1m45 h LEU 67 N 0.52 1.10 -0.41 3.11 3.38 -0.36 -2.24 115.31 120.42 1m45 h LEU 67 Ca 0.20 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1m45 h LEU 67 Cb 0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1m45 h LEU 67 CO -0.11 0.87 -0.10 0.40 0.09 0.00 0.00 178.44 179.59 1m45 h ILE 68 N 1.24 1.27 -0.75 1.22 2.04 -0.60 -2.05 117.51 119.88 1m45 h ILE 68 Ca 0.32 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 1m45 h ILE 68 Cb -0.00 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1m45 h ILE 68 CO -0.05 0.40 0.30 -0.33 0.00 0.00 0.00 178.15 178.47 1m45 h GLU 69 N 0.61 1.13 -0.05 2.37 5.08 -0.97 0.10 114.58 122.85 1m45 h GLU 69 Ca 0.10 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 1m45 h GLU 69 Cb 0.63 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1m45 h GLU 69 CO 0.04 0.92 -0.20 0.28 -1.00 0.00 0.00 179.01 179.05 1m45 h VAL 70 N 1.09 1.17 -0.27 3.13 2.07 -1.36 -3.11 116.25 118.97 1m45 h VAL 70 Ca 0.25 -0.80 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 1m45 h VAL 70 Cb 0.22 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 1m45 h VAL 70 CO -0.02 0.23 -0.09 0.59 0.02 0.00 0.00 177.57 178.31 1m45 n ASN 71 N -4.27 2.73 -0.10 0.57 3.02 -0.78 -4.78 115.26 111.66 1m45 n ASN 71 Ca -0.02 -3.55 -0.06 0.00 -0.03 0.00 0.00 54.58 50.92 1m45 n ASN 71 Cb 0.28 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 1m45 n ASN 71 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1m45 h GLU 72 N 1.09 -0.13 -0.46 3.52 4.81 -0.75 0.07 114.58 122.75 1m45 h GLU 72 Ca 0.13 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1m45 h GLU 72 Cb 1.50 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.89 1m45 h GLU 72 CO 0.28 -0.08 0.01 0.87 -0.73 0.00 0.00 179.01 179.37 1m45 h LYS 73 N -0.13 0.80 -0.21 1.92 6.56 -1.87 0.20 116.57 123.85 1m45 h LYS 73 Ca 0.18 -0.25 -0.12 0.00 -1.06 0.00 0.00 60.65 59.40 1m45 h LYS 73 Cb 0.41 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.98 1m45 h LYS 73 CO -0.44 0.85 -0.40 0.93 -2.06 0.00 0.00 179.45 178.33 1m45 h GLU 74 N 0.66 0.47 0.02 3.15 3.07 -1.84 -0.87 114.58 119.24 1m45 h GLU 74 Ca 0.13 -0.23 -0.22 0.00 -0.50 0.00 0.00 59.36 58.54 1m45 h GLU 74 Cb 0.48 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.41 1m45 h GLU 74 CO 0.02 0.80 -0.86 -0.07 -1.40 0.00 0.00 179.01 177.50 1m45 h LEU 75 N 0.39 0.72 -1.37 1.33 3.38 -0.81 -3.14 115.31 115.81 1m45 h LEU 75 Ca 0.04 -0.77 0.04 0.00 0.09 0.00 0.00 57.88 57.27 1m45 h LEU 75 Cb 0.87 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1m45 h LEU 75 CO 0.07 1.40 0.45 0.44 0.09 0.00 0.00 178.44 180.90 1m45 h ASP 76 N 0.12 0.71 0.06 -0.43 5.19 -0.51 -1.09 116.42 120.47 1m45 h ASP 76 Ca -0.11 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1m45 h ASP 76 Cb 1.55 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 40.89 1m45 h ASP 76 CO 0.17 0.49 -0.00 0.00 -3.12 0.00 0.00 179.24 176.77 1m45 h ALA 77 N 1.60 1.02 -0.01 3.45 0.00 -1.11 -1.52 119.26 122.69 1m45 h ALA 77 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1m45 h ALA 77 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1m45 h ALA 77 CO -0.08 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.42 1m45 n THR 78 N -3.11 0.01 -0.61 0.00 -2.24 -0.41 -3.66 114.28 104.26 1m45 n THR 78 Ca -0.03 -0.11 0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1m45 n THR 78 Cb 0.08 -0.09 0.18 0.00 -2.10 0.00 0.00 70.33 68.41 1m45 n THR 78 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1m45 n THR 79 N -0.50 1.65 -0.58 4.28 -2.24 -0.57 -4.05 114.28 112.27 1m45 n THR 79 Ca 0.21 -1.53 0.09 0.00 -2.27 0.00 0.00 64.05 60.55 1m45 n THR 79 Cb 0.21 0.09 0.30 0.00 -2.10 0.00 0.00 70.33 68.83 1m45 n THR 79 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1m45 n LYS 80 N -0.28 3.40 -2.09 -0.78 5.02 -1.24 -5.01 118.16 117.18 1m45 n LYS 80 Ca 0.15 -2.71 -0.36 0.00 -2.02 0.00 0.00 58.31 53.37 1m45 n LYS 80 Cb 0.63 -1.75 0.02 0.00 -0.02 0.00 0.00 35.03 33.91 1m45 n LYS 80 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1m45 s ALA 81 N -1.79 2.70 0.19 7.82 0.00 -1.26 -5.04 121.76 124.38 1m45 s ALA 81 Ca 0.44 1.00 0.09 0.00 0.00 0.00 0.00 51.96 53.49 1m45 s ALA 81 Cb 0.29 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1m45 s ALA 81 CO 0.21 -1.00 -0.18 0.15 0.00 0.00 0.00 175.76 174.94 1m45 s LYS 82 N -3.13 1.35 0.31 0.00 1.02 -1.26 -5.03 119.74 113.01 1m45 s LYS 82 Ca 0.73 -1.51 0.04 0.00 0.02 0.00 0.00 55.97 55.25 1m45 s LYS 82 Cb -0.30 -1.37 0.66 0.00 -0.52 0.00 0.00 37.83 36.31 1m45 s LYS 82 CO 0.34 0.26 1.85 1.15 -0.92 0.00 0.00 175.35 178.04 1m45 h THR 83 N 2.95 0.89 -0.00 2.17 2.02 -1.96 -0.32 112.91 118.66 1m45 h THR 83 Ca -0.41 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1m45 h THR 83 Cb 1.22 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1m45 h THR 83 CO 0.55 0.16 0.00 1.05 0.37 0.00 0.00 175.52 177.65 1m45 h GLU 84 N 0.87 0.00 0.00 6.66 4.11 -2.02 -1.46 114.58 122.74 1m45 h GLU 84 Ca 0.47 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.89 1m45 h GLU 84 Cb 0.57 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1m45 h GLU 84 CO -0.24 0.00 -0.07 -0.44 0.07 0.00 0.00 179.01 178.33 1m45 h ASP 85 N 0.00 0.00 0.00 3.06 3.32 -1.46 -3.35 116.42 117.99 1m45 h ASP 85 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1m45 h ASP 85 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1m45 h ASP 85 CO -0.00 0.07 0.00 0.49 -1.72 0.00 0.00 179.24 178.08 1m45 n PHE 86 N -3.23 0.00 -0.07 4.55 3.01 -0.56 -4.75 117.46 116.41 1m45 n PHE 86 Ca -0.00 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.37 1m45 n PHE 86 Cb 0.31 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.76 1m45 n PHE 86 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1m45 h VAL 87 N 0.00 1.05 -0.94 -4.37 2.07 -1.66 -2.46 116.25 109.94 1m45 h VAL 87 Ca 0.00 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1m45 h VAL 87 Cb 0.00 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 1m45 h VAL 87 CO 0.00 0.06 0.61 0.11 0.02 0.00 0.00 177.57 178.37 1m45 h LYS 88 N 0.34 1.06 -0.78 1.57 1.57 -1.85 0.99 116.57 119.46 1m45 h LYS 88 Ca 0.10 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1m45 h LYS 88 Cb -0.02 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.01 1m45 h LYS 88 CO -0.04 0.70 0.44 0.00 -0.57 0.00 0.00 179.45 179.98 1m45 h ALA 89 N 1.49 1.00 -0.09 3.86 0.00 -1.79 -2.30 119.26 121.44 1m45 h ALA 89 Ca 0.40 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 1m45 h ALA 89 Cb 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1m45 h ALA 89 CO -0.15 0.51 -0.60 0.74 0.00 0.00 0.00 179.25 179.74 1m45 h PHE 90 N 1.08 0.37 0.00 0.00 -1.00 -0.93 -3.00 116.94 113.47 1m45 h PHE 90 Ca 0.28 -0.14 -0.01 0.00 2.81 0.00 0.00 57.97 60.90 1m45 h PHE 90 Cb 0.02 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 39.51 1m45 h PHE 90 CO 0.00 0.82 -0.05 1.96 -1.61 0.00 0.00 178.31 179.43 1m45 h GLN 91 N 0.22 0.00 -0.10 1.51 4.20 -0.28 0.55 115.11 121.21 1m45 h GLN 91 Ca -0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1m45 h GLN 91 Cb 1.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 1m45 h GLN 91 CO 0.10 0.05 0.00 0.28 -0.67 0.00 0.00 178.83 178.59 1m45 h VAL 92 N 0.00 1.07 -0.49 -0.54 2.07 -1.32 -2.09 116.25 114.95 1m45 h VAL 92 Ca -0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1m45 h VAL 92 Cb 0.16 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1m45 h VAL 92 CO 0.01 0.08 0.00 0.49 0.02 0.00 0.00 177.57 178.17 1m45 n PHE 93 N -4.45 0.87 -3.33 1.57 3.01 0.14 -4.85 117.46 110.42 1m45 n PHE 93 Ca -0.01 -0.57 -0.46 0.00 1.01 0.00 0.00 57.45 57.42 1m45 n PHE 93 Cb 0.14 -0.11 -0.05 0.00 -0.01 0.00 0.00 39.48 39.45 1m45 n PHE 93 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1m45 s ASP 94 N -1.10 6.17 0.08 4.37 -1.08 -0.79 -4.77 116.67 119.55 1m45 s ASP 94 Ca 0.38 -1.72 -0.22 0.00 -0.52 0.00 0.00 52.55 50.47 1m45 s ASP 94 Cb 0.23 -2.20 -0.12 0.00 -1.46 0.00 0.00 42.92 39.37 1m45 s ASP 94 CO 0.21 -0.82 1.62 0.50 0.52 0.00 0.00 175.17 177.20 1m45 h LYS 95 N 8.86 0.17 -0.26 4.34 3.64 -1.85 -3.19 116.57 128.29 1m45 h LYS 95 Ca -0.30 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1m45 h LYS 95 Cb 1.10 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1m45 h LYS 95 CO 1.01 0.27 -0.00 0.39 -2.27 0.00 0.00 179.45 178.85 1m45 n GLU 96 N -4.91 2.73 -3.87 1.90 -0.58 -1.26 -4.97 120.64 109.68 1m45 n GLU 96 Ca -0.05 -2.86 -0.25 0.00 -0.42 0.00 0.00 57.16 53.58 1m45 n GLU 96 Cb 0.11 -1.83 0.00 0.00 -0.57 0.00 0.00 31.44 29.15 1m45 n GLU 96 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1m45 n SER 97 N -0.62 -1.12 -0.08 1.62 2.88 -1.21 -4.88 113.62 110.21 1m45 n SER 97 Ca 0.22 -0.92 0.11 0.00 -1.33 0.00 0.00 58.87 56.95 1m45 n SER 97 Cb 0.90 -3.47 0.07 0.00 -0.75 0.00 0.00 64.21 60.96 1m45 n SER 97 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1m45 n THR 98 N -4.38 0.00 -0.64 2.46 -2.24 -1.26 -4.95 114.28 103.27 1m45 n THR 98 Ca -0.26 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1m45 n THR 98 Cb 0.66 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1m45 n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1m45 n GLY 99 N 1.48 0.68 3.28 3.38 0.00 -1.26 -5.04 105.19 107.70 1m45 n GLY 99 Ca 0.06 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1m45 n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m45 s LYS 100 N -0.39 1.11 0.02 1.61 1.02 -1.26 -2.16 119.74 119.69 1m45 s LYS 100 Ca 0.00 -1.21 0.03 0.00 0.02 0.00 0.00 55.97 54.81 1m45 s LYS 100 Cb 0.00 -1.22 -0.01 0.00 -0.52 0.00 0.00 37.83 36.07 1m45 s LYS 100 CO 0.00 0.27 -0.11 0.54 -0.92 0.00 0.00 175.35 175.13 1m45 s VAL 101 N -1.57 0.82 0.51 3.17 0.11 -0.45 -4.60 120.40 118.40 1m45 s VAL 101 Ca 0.08 -0.70 -0.21 0.00 -2.93 0.00 0.00 61.98 58.22 1m45 s VAL 101 Cb -0.08 -0.74 -0.06 0.00 -1.53 0.00 0.00 36.38 33.97 1m45 s VAL 101 CO 0.04 0.04 1.16 -0.94 -3.33 0.00 0.00 175.10 172.07 1m45 s SER 102 N -0.74 5.85 0.38 3.54 1.04 -1.26 0.01 113.70 122.53 1m45 s SER 102 Ca 0.01 2.26 0.05 0.00 0.48 0.00 0.00 55.95 58.76 1m45 s SER 102 Cb -0.06 -2.59 0.77 0.00 0.10 0.00 0.00 66.02 64.24 1m45 s SER 102 CO 0.00 -1.14 2.03 1.62 0.98 0.00 0.00 173.24 176.74 1m45 h VAL 103 N 1.45 1.11 -0.55 5.02 3.04 -1.38 -0.32 116.25 124.63 1m45 h VAL 103 Ca -0.50 -0.23 -0.05 0.00 -1.01 0.00 0.00 66.70 64.91 1m45 h VAL 103 Cb 1.26 0.37 -0.02 0.00 -2.01 0.00 0.00 31.29 30.89 1m45 h VAL 103 CO 0.58 0.12 0.15 1.23 -1.01 0.00 0.00 177.57 178.64 1m45 h GLY 104 N 0.68 0.94 1.77 3.17 0.00 -1.91 -0.87 103.07 106.84 1m45 h GLY 104 Ca 0.20 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 1m45 h GLY 104 CO -0.05 0.54 -0.26 -0.55 0.00 0.00 0.00 176.54 176.21 1m45 h ASP 105 N 0.77 0.27 -0.32 0.19 3.32 -1.73 -0.90 116.42 118.02 1m45 h ASP 105 Ca 0.17 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1m45 h ASP 105 Cb 0.32 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1m45 h ASP 105 CO -0.00 0.54 -0.07 0.25 -1.72 0.00 0.00 179.24 178.23 1m45 h LEU 106 N 0.24 0.62 -0.72 1.55 5.85 -0.75 0.38 115.31 122.49 1m45 h LEU 106 Ca 0.04 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.41 1m45 h LEU 106 Cb 0.60 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1m45 h LEU 106 CO 0.04 0.84 0.47 -0.09 -0.34 0.00 0.00 178.44 179.36 1m45 h ARG 107 N 0.40 0.92 -0.30 1.25 2.43 -0.95 -1.25 114.38 116.87 1m45 h ARG 107 Ca 0.08 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1m45 h ARG 107 Cb 0.56 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 1m45 h ARG 107 CO 0.03 0.61 0.01 -0.92 -1.51 0.00 0.00 179.97 178.19 1m45 h TYR 108 N 0.95 -0.00 -0.39 2.20 3.20 -0.87 0.58 116.97 122.63 1m45 h TYR 108 Ca 0.27 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.19 1m45 h TYR 108 Cb -0.08 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 1m45 h TYR 108 CO -0.03 -0.04 0.21 1.98 -1.64 0.00 0.00 178.16 178.64 1m45 h MET 109 N 0.10 0.41 0.01 1.82 4.05 -0.54 0.67 114.93 121.44 1m45 h MET 109 Ca 0.15 -0.02 -0.20 0.00 -0.28 0.00 0.00 59.70 59.34 1m45 h MET 109 Cb 0.19 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 1m45 h MET 109 CO -0.24 0.27 -0.93 -0.07 0.23 0.00 0.00 176.91 176.18 1m45 h LEU 110 N 0.42 0.07 0.00 3.39 3.38 -0.99 -3.02 115.31 118.57 1m45 h LEU 110 Ca 0.16 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1m45 h LEU 110 Cb 0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1m45 h LEU 110 CO -0.10 0.96 -1.97 0.35 0.09 0.00 0.00 178.44 177.77 1m45 n THR 111 N -3.50 0.11 0.50 0.22 -2.24 0.17 -0.41 114.28 109.13 1m45 n THR 111 Ca -0.01 -0.50 0.09 0.00 -2.27 0.00 0.00 64.05 61.36 1m45 n THR 111 Cb 0.86 -0.01 -0.12 0.00 -2.10 0.00 0.00 70.33 68.96 1m45 n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1m45 n GLY 112 N 1.38 -0.75 3.55 3.38 0.00 0.22 -4.47 105.19 108.51 1m45 n GLY 112 Ca -0.06 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 1m45 n GLY 112 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1m45 s LEU 113 N -3.42 2.37 0.00 0.99 1.43 -1.14 -4.93 118.68 113.98 1m45 s LEU 113 Ca 0.01 -1.46 0.00 0.00 -1.03 0.00 0.00 54.13 51.66 1m45 s LEU 113 Cb 0.13 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.81 1m45 s LEU 113 CO 0.75 -0.64 0.00 0.61 0.23 0.00 0.00 176.35 177.30 1m45 n GLY 114 N -0.88 3.27 0.00 -3.19 0.00 -1.26 -1.51 105.19 101.62 1m45 n GLY 114 Ca -0.06 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 45.89 1m45 n GLY 114 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1m45 n GLU 115 N 14.00 0.95 -3.05 1.61 0.28 -1.26 -4.97 120.64 128.20 1m45 n GLU 115 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.93 1m45 n GLU 115 Cb 0.00 -1.29 0.01 0.00 1.43 0.00 0.00 31.44 31.58 1m45 n GLU 115 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1m45 n LYS 116 N -0.79 -1.84 -1.18 3.44 5.02 -0.57 -4.97 118.16 117.27 1m45 n LYS 116 Ca 0.13 1.70 -0.31 0.00 -2.02 0.00 0.00 58.31 57.82 1m45 n LYS 116 Cb 0.06 -3.16 0.11 0.00 -0.02 0.00 0.00 35.03 32.02 1m45 n LYS 116 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1m45 s LEU 117 N -1.63 2.87 0.67 -0.35 1.43 0.45 -4.92 118.68 117.20 1m45 s LEU 117 Ca 0.09 1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 54.89 1m45 s LEU 117 Cb -0.01 -4.42 -0.01 0.00 0.03 0.00 0.00 46.19 41.77 1m45 s LEU 117 CO 0.49 -2.28 1.07 0.42 0.23 0.00 0.00 176.35 176.28 1m45 s THR 118 N -2.87 4.01 0.30 5.49 -4.23 -1.26 -4.25 115.64 112.82 1m45 s THR 118 Ca 0.62 0.65 -0.00 0.00 -1.18 0.00 0.00 61.69 61.78 1m45 s THR 118 Cb -0.18 -3.64 0.18 0.00 1.34 0.00 0.00 72.50 70.20 1m45 s THR 118 CO 0.56 -0.85 1.87 0.44 -0.54 0.00 0.00 174.62 176.10 1m45 h ASP 119 N -0.52 0.77 -0.58 3.99 3.32 -1.96 -1.86 116.42 119.59 1m45 h ASP 119 Ca -0.45 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1m45 h ASP 119 Cb 1.23 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 1m45 h ASP 119 CO 0.63 0.71 0.37 0.00 -1.72 0.00 0.00 179.24 179.22 1m45 h ALA 120 N 1.41 0.73 -0.95 3.45 0.00 -1.99 0.64 119.26 122.55 1m45 h ALA 120 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1m45 h ALA 120 Cb 0.19 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1m45 h ALA 120 CO -0.01 0.18 0.57 0.93 0.00 0.00 0.00 179.25 180.92 1m45 h GLU 121 N 0.78 1.28 -0.38 0.00 5.08 -1.82 -0.42 114.58 119.11 1m45 h GLU 121 Ca 0.21 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1m45 h GLU 121 Cb -0.07 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 28.90 1m45 h GLU 121 CO -0.04 0.90 -0.30 0.28 -1.00 0.00 0.00 179.01 178.85 1m45 h VAL 122 N 1.30 1.28 -0.39 3.13 2.07 -1.04 -0.18 116.25 122.42 1m45 h VAL 122 Ca 0.34 -1.45 0.04 0.00 0.82 0.00 0.00 66.70 66.45 1m45 h VAL 122 Cb -0.05 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1m45 h VAL 122 CO -0.06 0.48 0.16 0.44 0.02 0.00 0.00 177.57 178.61 1m45 h ASP 123 N 0.69 0.20 -0.50 0.57 3.32 -0.42 -1.09 116.42 119.19 1m45 h ASP 123 Ca 0.08 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1m45 h ASP 123 Cb 0.84 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 1m45 h ASP 123 CO 0.07 0.15 0.20 -0.08 -1.72 0.00 0.00 179.24 177.87 1m45 h GLU 124 N 0.33 0.74 -0.61 3.56 4.81 -0.80 -2.58 114.58 120.04 1m45 h GLU 124 Ca 0.17 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1m45 h GLU 124 Cb 0.13 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 1m45 h GLU 124 CO -0.16 0.66 0.32 1.25 -0.73 0.00 0.00 179.01 180.35 1m45 h LEU 125 N 0.66 0.46 -0.05 1.64 5.85 -0.76 -2.99 115.31 120.12 1m45 h LEU 125 Ca 0.17 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1m45 h LEU 125 Cb 0.19 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1m45 h LEU 125 CO -0.01 0.30 -0.07 0.18 -0.34 0.00 0.00 178.44 178.50 1m45 n LEU 126 N -4.84 0.15 -0.31 2.25 4.77 -0.44 -4.28 117.00 114.31 1m45 n LEU 126 Ca 0.07 0.27 0.16 0.00 -0.03 0.00 0.00 56.01 56.48 1m45 n LEU 126 Cb 0.17 -0.33 0.34 0.00 -2.33 0.00 0.00 43.42 41.27 1m45 n LEU 126 CO 0.28 0.03 0.96 0.11 -1.33 0.00 0.00 177.39 177.45 1m45 h LYS 127 N 0.13 0.18 -0.43 3.23 1.79 -1.31 -0.43 116.57 119.73 1m45 h LYS 127 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1m45 h LYS 127 Cb 0.39 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1m45 h LYS 127 CO 0.00 0.12 0.00 0.41 -1.08 0.00 0.00 179.45 178.90 1m45 n GLY 128 N -1.37 2.84 3.71 3.86 0.00 -1.26 -4.99 105.19 107.99 1m45 n GLY 128 Ca 0.25 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 1m45 n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m45 s VAL 129 N -1.24 5.05 0.10 1.61 1.01 -0.17 -5.01 120.40 121.75 1m45 s VAL 129 Ca 0.32 1.39 -0.30 0.00 0.00 0.00 0.00 61.98 63.39 1m45 s VAL 129 Cb 0.18 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 1m45 s VAL 129 CO 0.19 0.24 1.06 -0.70 0.00 0.00 0.00 175.10 175.89 1m45 s GLU 130 N 0.92 4.58 -0.11 2.72 2.12 -1.26 -5.02 118.70 122.65 1m45 s GLU 130 Ca 0.36 1.60 0.03 0.00 0.36 0.00 0.00 54.97 57.32 1m45 s GLU 130 Cb -0.17 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1m45 s GLU 130 CO 0.17 0.01 -0.23 0.08 -0.54 0.00 0.00 175.26 174.75 1m45 s VAL 131 N 0.37 2.00 0.57 3.70 1.01 -1.26 -4.63 120.40 122.17 1m45 s VAL 131 Ca 0.51 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 1m45 s VAL 131 Cb -0.26 -1.74 0.13 0.00 0.00 0.00 0.00 36.38 34.51 1m45 s VAL 131 CO 0.31 0.54 0.78 -0.90 0.00 0.00 0.00 175.10 175.83 1m45 n ASP 132 N 3.72 0.10 0.00 3.32 5.68 -0.01 -4.85 116.55 124.51 1m45 n ASP 132 Ca -0.19 -1.30 0.05 0.00 -0.50 0.00 0.00 54.79 52.85 1m45 n ASP 132 Cb 0.52 -0.59 0.25 0.00 -1.14 0.00 0.00 41.12 40.17 1m45 n ASP 132 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1m45 n SER 133 N -3.48 0.00 -1.05 -1.12 3.41 -1.26 -0.92 113.62 109.20 1m45 n SER 133 Ca 0.10 0.38 0.08 0.00 -0.26 0.00 0.00 58.87 59.18 1m45 n SER 133 Cb 0.34 -0.43 0.25 0.00 -0.26 0.00 0.00 64.21 64.11 1m45 n SER 133 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1m45 n ASN 134 N -1.43 3.65 -1.03 4.04 4.13 -1.26 -4.94 115.26 118.41 1m45 n ASN 134 Ca 0.04 -2.15 -0.12 0.00 1.68 0.00 0.00 54.58 54.03 1m45 n ASN 134 Cb 0.12 -0.40 -0.03 0.00 -1.54 0.00 0.00 39.78 37.93 1m45 n ASN 134 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1m45 n GLY 135 N 0.92 0.81 3.74 7.41 0.00 -0.09 -4.95 105.19 113.02 1m45 n GLY 135 Ca 0.19 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 1m45 n GLY 135 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m45 s GLU 136 N -3.52 2.68 -0.03 1.61 2.02 -1.26 -0.93 118.70 119.27 1m45 s GLU 136 Ca 0.00 -1.07 0.06 0.00 0.02 0.00 0.00 54.97 53.97 1m45 s GLU 136 Cb 0.00 -2.47 -0.01 0.00 0.10 0.00 0.00 34.13 31.75 1m45 s GLU 136 CO 0.00 0.43 -0.20 0.42 0.02 0.00 0.00 175.26 175.93 1m45 s ILE 137 N -1.94 1.65 -0.46 -1.63 1.01 0.10 -0.83 121.20 119.10 1m45 s ILE 137 Ca 0.31 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 59.81 1m45 s ILE 137 Cb -0.09 -1.39 0.01 0.00 0.01 0.00 0.00 42.46 41.01 1m45 s ILE 137 CO 0.22 0.47 1.38 -0.62 0.00 0.00 0.00 174.94 176.38 1m45 s ASP 138 N -0.22 6.32 0.22 3.58 -1.08 -1.26 -1.33 116.67 122.88 1m45 s ASP 138 Ca 0.01 0.64 0.08 0.00 -0.52 0.00 0.00 52.55 52.76 1m45 s ASP 138 Cb -0.10 -2.54 0.15 0.00 -1.46 0.00 0.00 42.92 38.96 1m45 s ASP 138 CO 0.01 -1.49 1.49 0.10 0.52 0.00 0.00 175.17 175.81 1m45 h TYR 139 N 10.63 0.07 -0.77 -5.34 -0.00 -1.79 -1.36 116.97 118.40 1m45 h TYR 139 Ca -0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 58.73 58.40 1m45 h TYR 139 Cb 1.10 -0.01 -0.04 0.00 0.00 0.00 0.00 36.73 37.78 1m45 h TYR 139 CO 0.99 0.78 0.36 0.87 -0.00 0.00 0.00 178.16 181.16 1m45 h LYS 140 N 0.03 1.12 -0.59 0.10 1.57 -1.91 0.19 116.57 117.09 1m45 h LYS 140 Ca -0.01 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.49 1m45 h LYS 140 Cb 1.32 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1m45 h LYS 140 CO 0.10 0.88 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.61 1m45 h LYS 141 N 1.10 1.05 0.03 3.15 3.64 -1.89 -1.19 116.57 122.46 1m45 h LYS 141 Ca 0.26 -0.34 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1m45 h LYS 141 Cb 0.14 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1m45 h LYS 141 CO -0.03 1.04 -0.01 0.35 -2.27 0.00 0.00 179.45 178.53 1m45 h PHE 142 N 0.95 -0.03 -0.72 1.91 3.57 -0.85 -1.37 116.94 120.39 1m45 h PHE 142 Ca 0.16 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.71 1m45 h PHE 142 Cb 0.59 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 1m45 h PHE 142 CO 0.04 0.01 0.44 0.82 -2.23 0.00 0.00 178.31 177.39 1m45 h ILE 143 N -0.07 1.05 -0.82 1.41 2.04 -0.52 -1.43 117.51 119.18 1m45 h ILE 143 Ca -0.00 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.60 1m45 h ILE 143 Cb 0.06 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.23 1m45 h ILE 143 CO 0.01 0.15 0.52 -0.33 0.00 0.00 0.00 178.15 178.50 1m45 h GLU 144 N 0.83 0.99 -0.49 2.37 4.39 -0.90 -0.61 114.58 121.17 1m45 h GLU 144 Ca 0.31 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.90 1m45 h GLU 144 Cb 0.10 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1m45 h GLU 144 CO -0.14 0.66 0.13 -0.44 -1.16 0.00 0.00 179.01 178.05 1m45 h ASP 145 N 1.02 0.74 -0.28 1.42 3.45 -0.58 -1.30 116.42 120.89 1m45 h ASP 145 Ca 0.33 -0.23 -0.09 0.00 0.43 0.00 0.00 57.03 57.47 1m45 h ASP 145 Cb 0.01 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.56 1m45 h ASP 145 CO -0.11 0.77 -0.12 0.58 -1.57 0.00 0.00 179.24 178.79 1m45 h VAL 146 N 0.67 1.25 -0.00 -1.35 2.07 -0.81 -2.91 116.25 115.17 1m45 h VAL 146 Ca 0.16 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1m45 h VAL 146 Cb 0.31 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1m45 h VAL 146 CO -0.00 0.39 -0.25 0.18 0.02 0.00 0.00 177.57 177.91 1m45 n LEU 147 N -4.17 0.46 -4.72 2.57 4.77 -0.28 -4.93 117.00 110.70 1m45 n LEU 147 Ca 0.01 0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 1m45 n LEU 147 Cb 0.36 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1m45 n LEU 147 CO 0.42 0.10 1.17 -0.60 -1.33 0.00 0.00 177.39 177.15 1m45 s ARG 148 N -2.78 4.25 0.00 3.23 3.52 -0.50 -5.07 118.95 121.60 1m45 s ARG 148 Ca 0.19 2.28 0.27 0.00 -0.13 0.00 0.00 55.73 58.34 1m45 s ARG 148 Cb 0.19 -3.17 0.87 0.00 -1.56 0.00 0.00 34.95 31.28 1m45 s ARG 148 CO 0.57 -0.53 1.64 1.04 -0.81 0.00 0.00 175.30 177.22