#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1acm s VAL 9 N 0.00 3.44 0.24 1.61 1.01 -1.26 -4.57 120.40 120.87 1acm s VAL 9 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1acm s VAL 9 Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1acm s VAL 9 CO 0.00 -1.04 0.00 -0.62 0.00 0.00 0.00 175.10 173.44 1acm n GLU 10 N 9.08 -1.31 -4.18 2.72 4.71 -1.26 -4.98 120.64 125.43 1acm n GLU 10 Ca 0.26 1.07 -0.11 0.00 -0.01 0.00 0.00 57.16 58.38 1acm n GLU 10 Cb 0.50 -1.53 -0.10 0.00 -1.01 0.00 0.00 31.44 29.30 1acm n GLU 10 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1acm s ALA 11 N -3.49 1.00 0.04 0.62 0.00 -1.26 -5.15 121.76 113.52 1acm s ALA 11 Ca 0.00 -1.51 -0.12 0.00 0.00 0.00 0.00 51.96 50.34 1acm s ALA 11 Cb 0.00 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.90 1acm s ALA 11 CO 0.00 -0.44 0.25 0.42 0.00 0.00 0.00 175.76 175.99 1acm s ILE 12 N -3.93 0.09 0.01 0.00 1.01 -1.26 -5.07 121.20 112.05 1acm s ILE 12 Ca 0.24 -0.77 -0.26 0.00 0.00 0.00 0.00 60.65 59.86 1acm s ILE 12 Cb 0.07 -0.91 -0.15 0.00 0.01 0.00 0.00 42.46 41.48 1acm s ILE 12 CO 0.02 -0.43 1.14 0.11 0.00 0.00 0.00 174.94 175.79 1acm h LYS 13 N 3.35 -0.70 -3.89 2.79 1.57 -1.96 -3.31 116.57 114.42 1acm h LYS 13 Ca -0.32 0.05 -0.25 0.00 -1.87 0.00 0.00 60.65 58.26 1acm h LYS 13 Cb 1.20 0.16 -0.28 0.00 0.08 0.00 0.00 32.23 33.39 1acm h LYS 13 CO 0.47 -0.40 -0.73 -0.98 -0.57 0.00 0.00 179.45 177.24 1acm s ARG 14 N -4.63 0.12 0.00 3.15 1.70 -1.26 -0.46 118.95 117.57 1acm s ARG 14 Ca -0.14 -0.07 0.00 0.00 -0.47 0.00 0.00 55.73 55.05 1acm s ARG 14 Cb 0.02 -0.10 0.00 0.00 -0.57 0.00 0.00 34.95 34.30 1acm s ARG 14 CO 0.46 0.03 0.00 0.41 -1.08 0.00 0.00 175.30 175.12 1acm n GLY 15 N 2.99 -1.57 3.69 3.88 0.00 0.05 0.00 105.19 114.22 1acm n GLY 15 Ca -0.13 -1.08 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 1acm n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1acm s THR 16 N -2.68 3.85 -0.15 2.61 2.01 0.88 -0.63 115.64 121.53 1acm s THR 16 Ca 0.00 -1.40 -0.02 0.00 0.31 0.00 0.00 61.69 60.58 1acm s THR 16 Cb 0.00 -2.96 0.05 0.00 0.01 0.00 0.00 72.50 69.60 1acm s THR 16 CO 0.00 -0.14 0.01 -0.69 -0.69 0.00 0.00 174.62 173.11 1acm s VAL 17 N -1.79 0.61 -0.39 3.82 1.01 -0.09 -2.03 120.40 121.55 1acm s VAL 17 Ca 0.28 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 1acm s VAL 17 Cb -0.09 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.35 1acm s VAL 17 CO 0.20 -0.01 0.47 -0.63 0.00 0.00 0.00 175.10 175.13 1acm s ILE 18 N 1.84 5.05 0.41 2.22 1.09 -0.52 -0.94 121.20 130.36 1acm s ILE 18 Ca 0.01 -0.01 0.07 0.00 -1.10 0.00 0.00 60.65 59.62 1acm s ILE 18 Cb -0.15 -3.99 -0.07 0.00 -1.06 0.00 0.00 42.46 37.19 1acm s ILE 18 CO -0.07 -0.32 0.06 -0.62 -0.10 0.00 0.00 174.94 173.89 1acm s ASP 19 N 1.80 4.04 -1.10 3.58 2.15 -0.10 -1.26 116.67 125.78 1acm s ASP 19 Ca 0.15 -1.30 -0.05 0.00 0.43 0.00 0.00 52.55 51.78 1acm s ASP 19 Cb -0.16 -0.39 0.01 0.00 -0.30 0.00 0.00 42.92 42.08 1acm s ASP 19 CO 0.14 -0.49 0.95 1.41 -0.17 0.00 0.00 175.17 177.01 1acm n HIS 20 N -1.05 -2.26 -3.11 -5.34 8.25 -1.25 -0.34 115.22 110.12 1acm n HIS 20 Ca -0.04 0.83 -0.39 0.00 -0.26 0.00 0.00 57.72 57.86 1acm n HIS 20 Cb 0.66 -4.44 -0.05 0.00 1.12 0.00 0.00 29.99 27.28 1acm n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1acm s ILE 21 N -3.28 5.08 0.47 1.59 1.01 -0.90 -3.53 121.20 121.65 1acm s ILE 21 Ca 0.35 1.33 -0.23 0.00 0.00 0.00 0.00 60.65 62.11 1acm s ILE 21 Cb -0.16 -3.99 -0.07 0.00 0.01 0.00 0.00 42.46 38.25 1acm s ILE 21 CO 0.61 0.27 1.26 -2.84 0.00 0.00 0.00 174.94 174.24 1acm s PRO 22 N 0.75 3.62 0.35 2.79 0.02 -1.26 -0.54 135.00 140.73 1acm s PRO 22 Ca 0.35 2.01 -0.28 0.00 0.02 0.00 0.00 61.00 63.09 1acm s PRO 22 Cb -0.17 -2.45 -0.12 0.00 0.02 0.00 0.00 34.50 31.78 1acm s PRO 22 CO 0.16 -0.73 1.45 0.00 -0.33 0.00 0.00 177.00 177.56 1acm n ALA 23 N -0.49 2.08 -0.99 -1.55 0.00 -1.26 -1.78 120.51 116.51 1acm n ALA 23 Ca 0.07 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1acm n ALA 23 Cb 0.46 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1acm n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1acm n GLN 24 N 0.80 -0.42 -0.05 0.00 1.13 -1.26 -4.82 117.38 112.76 1acm n GLN 24 Ca 0.04 0.11 -0.02 0.00 -1.94 0.00 0.00 57.00 55.18 1acm n GLN 24 Cb 0.37 -3.42 -0.11 0.00 0.11 0.00 0.00 30.24 27.20 1acm n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1acm n ILE 25 N -2.72 0.60 -0.15 5.09 5.41 -0.73 -4.52 119.36 122.33 1acm n ILE 25 Ca 0.00 -0.48 -0.04 0.00 1.00 0.00 0.00 62.75 63.23 1acm n ILE 25 Cb 0.11 -0.36 0.02 0.00 -0.71 0.00 0.00 39.64 38.69 1acm n ILE 25 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1acm h GLY 26 N 2.61 0.16 1.66 7.39 0.00 -1.87 -0.19 103.07 112.83 1acm h GLY 26 Ca -0.24 0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1acm h GLY 26 CO 0.01 -0.21 -0.01 -2.75 0.00 0.00 0.00 176.54 173.59 1acm h PHE 27 N -0.10 0.44 -0.68 5.60 3.57 -1.93 -2.43 116.94 121.41 1acm h PHE 27 Ca 0.23 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.71 1acm h PHE 27 Cb 0.45 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 1acm h PHE 27 CO -0.48 0.45 0.44 0.87 -2.23 0.00 0.00 178.31 177.35 1acm h LYS 28 N 0.42 0.86 -0.11 1.11 6.56 -1.27 -2.89 116.57 121.24 1acm h LYS 28 Ca 0.09 -0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 59.60 1acm h LYS 28 Cb 0.29 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 31.74 1acm h LYS 28 CO 0.01 0.57 -0.06 -0.07 -2.06 0.00 0.00 179.45 177.84 1acm h LEU 29 N 0.89 0.15 -1.36 2.94 -0.00 -0.99 0.57 115.31 117.51 1acm h LEU 29 Ca 0.26 -0.02 -0.04 0.00 -0.00 0.00 0.00 57.88 58.08 1acm h LEU 29 Cb -0.05 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 40.56 1acm h LEU 29 CO -0.08 0.23 -0.02 -0.07 -0.00 0.00 0.00 178.44 178.51 1acm h LEU 30 N 0.16 0.38 0.01 1.67 -0.00 -1.55 -1.06 115.31 114.92 1acm h LEU 30 Ca 0.04 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1acm h LEU 30 Cb 0.21 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 1acm h LEU 30 CO 0.01 0.45 -0.01 0.77 -0.00 0.00 0.00 178.44 179.67 1acm h SER 31 N 0.39 -0.02 -0.00 -0.43 4.64 -1.53 -1.25 113.55 115.35 1acm h SER 31 Ca 0.09 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1acm h SER 31 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1acm h SER 31 CO 0.01 0.71 0.03 -0.07 -0.87 0.00 0.00 176.83 176.65 1acm h LEU 32 N -0.99 0.00 -2.21 5.97 -0.00 -0.77 0.43 115.31 117.74 1acm h LEU 32 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1acm h LEU 32 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1acm h LEU 32 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 178.44 178.93 1acm n PHE 33 N -3.17 0.10 -4.05 1.13 3.72 -0.41 -5.01 117.46 109.76 1acm n PHE 33 Ca -0.03 -0.29 -0.33 0.00 -0.05 0.00 0.00 57.45 56.75 1acm n PHE 33 Cb 0.10 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 38.61 1acm n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1acm n LYS 34 N 0.03 -4.01 -1.42 -1.08 4.76 0.14 -4.83 118.16 111.75 1acm n LYS 34 Ca 0.04 0.46 -0.39 0.00 -2.87 0.00 0.00 58.31 55.54 1acm n LYS 34 Cb 0.23 -5.25 -0.02 0.00 -1.84 0.00 0.00 35.03 28.15 1acm n LYS 34 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1acm n LEU 35 N -4.44 7.11 0.00 -0.35 4.77 -0.52 -1.41 117.00 122.16 1acm n LEU 35 Ca 0.06 -3.98 0.00 0.00 -0.03 0.00 0.00 56.01 52.06 1acm n LEU 35 Cb 0.50 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 1acm n LEU 35 CO 0.80 1.27 0.00 0.41 -1.33 0.00 0.00 177.39 178.54 1acm n THR 36 N 4.55 0.00 -2.61 -5.08 -1.04 -1.26 -4.91 114.28 103.93 1acm n THR 36 Ca 0.61 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 62.21 1acm n THR 36 Cb 0.31 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.79 1acm n THR 36 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1acm s GLU 37 N -0.72 3.54 -0.02 -2.82 8.01 -0.50 -4.81 118.70 121.38 1acm s GLU 37 Ca 0.00 -1.10 -0.29 0.00 0.01 0.00 0.00 54.97 53.59 1acm s GLU 37 Cb 0.00 -5.17 0.10 0.00 -4.31 0.00 0.00 34.13 24.75 1acm s GLU 37 CO 0.00 -2.15 0.87 -0.08 0.01 0.00 0.00 175.26 173.92 1acm s THR 38 N 4.77 0.00 -0.07 3.63 -1.32 -1.26 -5.07 115.64 116.31 1acm s THR 38 Ca 0.43 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.93 1acm s THR 38 Cb -0.02 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.91 1acm s THR 38 CO -0.07 0.00 -0.04 -0.67 -2.21 0.00 0.00 174.62 171.63 1acm n ASP 39 N -0.01 3.41 -4.88 8.08 2.03 -1.26 -5.06 116.55 118.87 1acm n ASP 39 Ca -0.10 -0.03 -0.25 0.00 0.52 0.00 0.00 54.79 54.93 1acm n ASP 39 Cb 0.61 0.12 0.07 0.00 -0.72 0.00 0.00 41.12 41.20 1acm n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1acm s GLN 40 N -2.16 2.13 0.42 -0.67 0.00 -1.26 -5.02 119.66 113.10 1acm s GLN 40 Ca -0.08 -0.41 -0.25 0.00 -0.00 0.00 0.00 55.36 54.61 1acm s GLN 40 Cb 0.02 -2.22 -0.08 0.00 0.00 0.00 0.00 33.01 30.74 1acm s GLN 40 CO 0.20 -1.23 1.23 0.50 0.00 0.00 0.00 175.29 175.99 1acm s ARG 41 N -5.20 3.90 -0.02 9.60 3.52 -1.26 -4.82 118.95 124.68 1acm s ARG 41 Ca 0.61 1.98 0.06 0.00 -0.13 0.00 0.00 55.73 58.25 1acm s ARG 41 Cb -0.10 -2.63 -0.01 0.00 -1.56 0.00 0.00 34.95 30.64 1acm s ARG 41 CO 0.44 -0.49 -0.20 0.42 -0.81 0.00 0.00 175.30 174.67 1acm s ILE 42 N -1.37 1.55 -0.19 4.11 1.01 -1.26 -1.44 121.20 123.62 1acm s ILE 42 Ca 0.59 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 60.42 1acm s ILE 42 Cb -0.34 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 40.87 1acm s ILE 42 CO 0.43 0.44 -0.19 -0.89 0.00 0.00 0.00 174.94 174.72 1acm s THR 43 N -0.43 2.05 -0.11 2.92 2.01 -0.12 -4.96 115.64 117.01 1acm s THR 43 Ca 0.07 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.08 1acm s THR 43 Cb -0.08 -1.88 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 1acm s THR 43 CO -0.01 0.49 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.66 1acm s ILE 44 N 1.28 3.13 -0.15 1.82 1.09 -1.26 -0.38 121.20 126.73 1acm s ILE 44 Ca 0.04 -0.65 0.02 0.00 -1.10 0.00 0.00 60.65 58.96 1acm s ILE 44 Cb -0.14 -2.30 0.02 0.00 -1.06 0.00 0.00 42.46 38.98 1acm s ILE 44 CO -0.12 0.54 -0.19 -0.83 -0.10 0.00 0.00 174.94 174.23 1acm s GLY 45 N 0.11 1.29 -0.03 6.18 0.00 -0.41 -5.01 107.32 109.44 1acm s GLY 45 Ca -0.06 -1.06 0.05 0.00 0.00 0.00 0.00 44.72 43.66 1acm s GLY 45 CO 0.04 0.20 -0.16 1.08 0.00 0.00 0.00 173.10 174.26 1acm s LEU 46 N 1.11 2.63 -1.50 0.66 1.43 -1.26 -0.89 118.68 120.86 1acm s LEU 46 Ca -0.01 -0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 52.75 1acm s LEU 46 Cb -0.14 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.57 1acm s LEU 46 CO -0.07 0.32 0.76 0.59 0.23 0.00 0.00 176.35 178.18 1acm n ASN 47 N 2.17 -5.99 -4.77 2.29 5.03 -0.99 -4.96 115.26 108.05 1acm n ASN 47 Ca -0.17 -0.38 -0.39 0.00 0.87 0.00 0.00 54.58 54.52 1acm n ASN 47 Cb 0.52 -4.81 -0.02 0.00 -1.02 0.00 0.00 39.78 34.46 1acm n ASN 47 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1acm s LEU 48 N -6.86 4.25 0.37 3.41 1.43 0.20 -4.67 118.68 116.82 1acm s LEU 48 Ca 0.39 2.48 -0.27 0.00 -1.03 0.00 0.00 54.13 55.71 1acm s LEU 48 Cb -0.18 -3.91 -0.09 0.00 0.03 0.00 0.00 46.19 42.04 1acm s LEU 48 CO 0.49 -0.68 1.27 -2.16 0.23 0.00 0.00 176.35 175.50 1acm s PRO 49 N -2.16 4.16 -0.26 1.29 0.04 -1.24 0.35 135.00 137.19 1acm s PRO 49 Ca 0.55 2.12 -0.04 0.00 0.04 0.00 0.00 61.00 63.67 1acm s PRO 49 Cb -0.34 -2.89 0.09 0.00 0.04 0.00 0.00 34.50 31.40 1acm s PRO 49 CO 0.44 -0.31 0.13 -1.54 0.04 0.00 0.00 177.00 175.75 1acm s SER 50 N -0.70 3.13 0.35 6.66 1.04 0.66 -4.82 113.70 120.01 1acm s SER 50 Ca 0.53 -1.08 0.14 0.00 0.48 0.00 0.00 55.95 56.02 1acm s SER 50 Cb -0.37 -0.28 1.12 0.00 0.10 0.00 0.00 66.02 66.59 1acm s SER 50 CO 0.49 -0.41 1.57 0.61 0.98 0.00 0.00 173.24 176.47 1acm n GLY 51 N 5.26 -0.98 0.16 7.32 0.00 -1.26 0.15 105.19 115.84 1acm n GLY 51 Ca -0.06 0.87 -0.21 0.00 0.00 0.00 0.00 46.02 46.62 1acm n GLY 51 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1acm h GLU 52 N 0.00 0.56 -0.21 1.61 9.09 -2.01 -3.35 114.58 120.28 1acm h GLU 52 Ca 0.75 -0.77 0.00 0.00 0.05 0.00 0.00 59.36 59.39 1acm h GLU 52 Cb 1.86 0.26 0.00 0.00 -1.65 0.00 0.00 28.75 29.22 1acm h GLU 52 CO -0.83 1.35 0.00 -1.33 0.05 0.00 0.00 179.01 178.24 1acm n MET 53 N -3.75 2.67 0.00 1.06 2.81 -0.36 -5.03 117.12 114.51 1acm n MET 53 Ca -0.13 -2.35 0.00 0.00 -1.81 0.00 0.00 57.70 53.41 1acm n MET 53 Cb 0.99 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 32.02 1acm n MET 53 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1acm n GLY 54 N -0.32 0.32 3.75 3.03 0.00 0.39 -4.67 105.19 107.70 1acm n GLY 54 Ca 0.14 0.77 -0.39 0.00 0.00 0.00 0.00 46.02 46.54 1acm n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1acm s ARG 55 N 0.00 4.38 -0.13 1.61 0.52 -1.26 -0.25 118.95 123.83 1acm s ARG 55 Ca 0.00 0.84 -0.10 0.00 -0.52 0.00 0.00 55.73 55.95 1acm s ARG 55 Cb 0.00 -3.36 0.04 0.00 0.52 0.00 0.00 34.95 32.15 1acm s ARG 55 CO 0.00 0.31 0.33 0.21 0.02 0.00 0.00 175.30 176.17 1acm s LYS 56 N -0.04 0.36 0.20 3.54 2.20 0.16 -4.26 119.74 121.90 1acm s LYS 56 Ca 0.34 0.51 0.07 0.00 -0.36 0.00 0.00 55.97 56.53 1acm s LYS 56 Cb -0.19 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.21 1acm s LYS 56 CO 0.19 -0.08 0.08 -0.51 -0.36 0.00 0.00 175.35 174.67 1acm s ASP 57 N 0.50 5.11 -0.12 1.43 1.01 0.29 0.60 116.67 125.49 1acm s ASP 57 Ca -0.03 -0.33 -0.10 0.00 0.71 0.00 0.00 52.55 52.80 1acm s ASP 57 Cb -0.04 -1.19 0.03 0.00 1.01 0.00 0.00 42.92 42.73 1acm s ASP 57 CO -0.03 0.04 0.31 -0.22 0.21 0.00 0.00 175.17 175.49 1acm s LEU 58 N -3.30 0.75 -0.00 1.23 0.20 -0.07 -2.11 118.68 115.39 1acm s LEU 58 Ca 0.30 0.63 0.07 0.00 0.69 0.00 0.00 54.13 55.83 1acm s LEU 58 Cb -0.09 1.07 -0.03 0.00 -0.43 0.00 0.00 46.19 46.71 1acm s LEU 58 CO 0.21 -0.12 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.32 1acm s ILE 59 N 0.28 2.50 -0.08 6.68 1.01 -0.39 -1.29 121.20 129.90 1acm s ILE 59 Ca -0.01 -1.08 0.02 0.00 0.00 0.00 0.00 60.65 59.59 1acm s ILE 59 Cb -0.03 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.49 1acm s ILE 59 CO -0.01 0.49 -0.15 -0.54 0.00 0.00 0.00 174.94 174.73 1acm s LYS 60 N -0.95 2.12 -0.15 2.79 1.02 0.49 -1.44 119.74 123.62 1acm s LYS 60 Ca 0.12 -0.55 0.01 0.00 0.02 0.00 0.00 55.97 55.57 1acm s LYS 60 Cb -0.10 -1.72 0.02 0.00 -0.52 0.00 0.00 37.83 35.50 1acm s LYS 60 CO 0.01 0.03 -0.16 0.42 -0.92 0.00 0.00 175.35 174.73 1acm s ILE 61 N 0.70 1.70 0.41 2.17 1.01 -0.86 -0.94 121.20 125.40 1acm s ILE 61 Ca -0.13 -0.72 -0.23 0.00 0.00 0.00 0.00 60.65 59.57 1acm s ILE 61 Cb -0.16 -1.57 -0.09 0.00 0.01 0.00 0.00 42.46 40.64 1acm s ILE 61 CO 0.03 0.48 1.01 -0.70 0.00 0.00 0.00 174.94 175.76 1acm s GLU 62 N 1.36 4.16 -0.12 2.79 2.12 -0.52 -2.13 118.70 126.36 1acm s GLU 62 Ca 0.03 1.36 0.00 0.00 0.36 0.00 0.00 54.97 56.72 1acm s GLU 62 Cb -0.13 -2.39 0.00 0.00 0.26 0.00 0.00 34.13 31.87 1acm s GLU 62 CO -0.10 -0.12 0.00 0.09 -0.54 0.00 0.00 175.26 174.59 1acm n ASN 63 N -0.32 -4.65 -4.22 -1.70 5.03 0.10 -4.79 115.26 104.72 1acm n ASN 63 Ca 0.06 0.03 -0.19 0.00 0.87 0.00 0.00 54.58 55.35 1acm n ASN 63 Cb 0.51 -2.92 -0.12 0.00 -1.02 0.00 0.00 39.78 36.24 1acm n ASN 63 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1acm s THR 64 N -0.90 1.29 -0.02 3.41 2.01 -1.25 -4.89 115.64 115.29 1acm s THR 64 Ca 0.00 -1.51 0.02 0.00 0.31 0.00 0.00 61.69 60.51 1acm s THR 64 Cb 0.00 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 71.18 1acm s THR 64 CO 0.00 -0.28 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.21 1acm s PHE 65 N -1.61 0.79 0.11 4.92 0.08 -1.26 -0.08 117.98 120.92 1acm s PHE 65 Ca 0.04 -0.18 -0.30 0.00 0.12 0.00 0.00 56.93 56.61 1acm s PHE 65 Cb -0.08 -0.56 -0.06 0.00 -0.57 0.00 0.00 43.02 41.75 1acm s PHE 65 CO 0.03 -0.07 1.16 -0.51 -0.10 0.00 0.00 175.22 175.73 1acm s LEU 66 N 0.12 4.41 0.75 -0.37 1.43 -1.26 -5.03 118.68 118.74 1acm s LEU 66 Ca -0.01 2.04 -0.11 0.00 -1.03 0.00 0.00 54.13 55.02 1acm s LEU 66 Cb -0.07 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.61 1acm s LEU 66 CO 0.00 -0.37 1.09 -0.94 0.23 0.00 0.00 176.35 176.36 1acm s SER 67 N 0.59 4.90 0.24 2.29 1.04 -1.26 -4.74 113.70 116.76 1acm s SER 67 Ca 0.55 1.35 0.10 0.00 0.48 0.00 0.00 55.95 58.43 1acm s SER 67 Cb -0.29 -2.14 0.80 0.00 0.10 0.00 0.00 66.02 64.49 1acm s SER 67 CO 0.32 -1.72 1.08 -0.62 0.98 0.00 0.00 173.24 173.28 1acm n GLU 68 N -3.28 -0.05 0.16 4.02 1.02 -1.26 -0.62 120.64 120.64 1acm n GLU 68 Ca 0.07 0.97 -0.07 0.00 -0.02 0.00 0.00 57.16 58.11 1acm n GLU 68 Cb 0.56 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 1acm n GLU 68 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1acm h ASP 69 N 0.00 -0.37 -0.69 1.62 2.03 -2.01 -3.36 116.42 113.65 1acm h ASP 69 Ca 0.53 0.01 0.14 0.00 -0.73 0.00 0.00 57.03 56.98 1acm h ASP 69 Cb 1.33 0.10 -0.04 0.00 -0.83 0.00 0.00 39.33 39.88 1acm h ASP 69 CO -0.56 -0.16 0.46 1.56 -1.03 0.00 0.00 179.24 179.51 1acm h GLN 70 N -0.64 0.34 -0.09 4.15 4.20 -1.21 -1.70 115.11 120.16 1acm h GLN 70 Ca -0.04 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1acm h GLN 70 Cb 0.33 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 1acm h GLN 70 CO 0.07 0.22 0.04 -0.39 -0.67 0.00 0.00 178.83 178.11 1acm h VAL 71 N 0.35 1.11 0.00 -0.54 -1.51 -1.61 0.19 116.25 114.24 1acm h VAL 71 Ca 0.33 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1acm h VAL 71 Cb 0.81 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 1acm h VAL 71 CO -0.09 0.10 -0.67 0.47 -1.23 0.00 0.00 177.57 176.15 1acm n ASP 72 N -4.95 0.60 0.03 4.19 9.92 -0.78 -2.46 116.55 123.10 1acm n ASP 72 Ca -0.06 -0.15 -0.04 0.00 -0.53 0.00 0.00 54.79 54.01 1acm n ASP 72 Cb 0.09 0.37 0.18 0.00 -0.64 0.00 0.00 41.12 41.11 1acm n ASP 72 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 1acm h GLN 73 N 0.00 0.45 -0.27 -1.24 4.15 -1.18 -2.09 115.11 114.93 1acm h GLN 73 Ca 0.00 -0.20 -0.07 0.00 0.77 0.00 0.00 58.65 59.15 1acm h GLN 73 Cb 0.63 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 1acm h GLN 73 CO 0.00 0.73 -0.12 1.25 -1.93 0.00 0.00 178.83 178.76 1acm h LEU 74 N 0.39 0.44 -1.01 -2.39 5.85 -0.32 -2.54 115.31 115.74 1acm h LEU 74 Ca 0.05 -0.11 0.15 0.00 0.84 0.00 0.00 57.88 58.81 1acm h LEU 74 Cb 0.77 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.59 1acm h LEU 74 CO 0.06 0.60 0.62 0.00 -0.34 0.00 0.00 178.44 179.39 1acm h ALA 75 N 1.45 1.59 0.00 1.25 0.00 -1.04 0.28 119.26 122.78 1acm h ALA 75 Ca 0.08 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1acm h ALA 75 Cb 0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1acm h ALA 75 CO 0.03 0.10 -0.62 1.25 0.00 0.00 0.00 179.25 180.01 1acm h LEU 76 N 0.89 0.00 0.00 0.00 5.85 -1.42 -3.27 115.31 117.37 1acm h LEU 76 Ca 0.54 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 59.02 1acm h LEU 76 Cb 0.68 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 1acm h LEU 76 CO -0.32 0.62 -1.89 -1.22 -0.34 0.00 0.00 178.44 175.28 1acm n TYR 77 N -3.44 0.49 -3.00 1.25 4.01 -0.05 -4.77 117.16 111.64 1acm n TYR 77 Ca 0.00 0.17 -0.14 0.00 -0.16 0.00 0.00 57.90 57.77 1acm n TYR 77 Cb 0.70 -0.98 -0.03 0.00 -0.31 0.00 0.00 39.34 38.72 1acm n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1acm n ALA 78 N -2.52 0.11 0.17 -0.72 0.00 0.78 -4.96 120.51 113.37 1acm n ALA 78 Ca -0.18 -1.98 0.11 0.00 0.00 0.00 0.00 53.44 51.39 1acm n ALA 78 Cb 0.94 -1.17 0.57 0.00 0.00 0.00 0.00 19.45 19.79 1acm n ALA 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1acm n PRO 79 N 2.55 0.14 -0.08 0.00 -0.04 -1.23 -1.42 135.00 134.91 1acm n PRO 79 Ca 0.21 0.62 0.04 0.00 -0.04 0.00 0.00 63.50 64.32 1acm n PRO 79 Cb 0.54 -1.94 0.08 0.00 -0.04 0.00 0.00 33.50 32.14 1acm n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1acm n GLN 80 N -2.23 2.68 -1.74 0.54 0.00 -1.26 -4.80 117.38 110.56 1acm n GLN 80 Ca -0.01 -1.91 -0.33 0.00 0.00 0.00 0.00 57.00 54.75 1acm n GLN 80 Cb 0.05 -1.21 0.05 0.00 0.00 0.00 0.00 30.24 29.13 1acm n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1acm s ALA 81 N -1.45 2.47 -0.13 2.61 0.00 -0.51 -4.83 121.76 119.91 1acm s ALA 81 Ca 0.14 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.64 1acm s ALA 81 Cb 0.10 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.92 1acm s ALA 81 CO 0.05 -1.29 -0.13 0.99 0.00 0.00 0.00 175.76 175.38 1acm s THR 82 N -2.35 1.42 -0.33 0.00 2.01 0.54 -4.49 115.64 112.43 1acm s THR 82 Ca 0.67 -0.56 -0.12 0.00 0.31 0.00 0.00 61.69 61.99 1acm s THR 82 Cb -0.20 -1.34 -0.01 0.00 0.01 0.00 0.00 72.50 70.95 1acm s THR 82 CO 0.42 0.43 0.22 -0.69 -0.69 0.00 0.00 174.62 174.31 1acm s VAL 83 N 1.36 5.09 -0.32 3.82 1.01 0.02 -0.92 120.40 130.45 1acm s VAL 83 Ca 0.01 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 1acm s VAL 83 Cb -0.13 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1acm s VAL 83 CO -0.07 0.00 0.15 0.20 0.00 0.00 0.00 175.10 175.38 1acm s ASN 84 N 1.69 5.50 -0.18 3.32 0.01 -0.12 -0.31 114.94 124.84 1acm s ASN 84 Ca 0.06 -0.71 -0.24 0.00 -0.71 0.00 0.00 52.86 51.25 1acm s ASN 84 Cb -0.17 -1.98 -0.02 0.00 0.41 0.00 0.00 41.25 39.49 1acm s ASN 84 CO 0.09 -0.25 0.79 -0.13 -1.51 0.00 0.00 177.10 176.10 1acm s ARG 85 N 1.56 4.27 -0.03 -0.60 0.52 0.49 -0.91 118.95 124.25 1acm s ARG 85 Ca 0.03 0.93 0.07 0.00 -0.52 0.00 0.00 55.73 56.24 1acm s ARG 85 Cb -0.18 -3.58 -0.02 0.00 0.52 0.00 0.00 34.95 31.70 1acm s ARG 85 CO 0.05 -0.33 -0.24 0.42 0.02 0.00 0.00 175.30 175.23 1acm s ILE 86 N 2.17 1.88 -0.03 1.52 1.01 0.20 -0.42 121.20 127.53 1acm s ILE 86 Ca 0.36 -1.00 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 1acm s ILE 86 Cb -0.16 -1.57 0.01 0.00 0.01 0.00 0.00 42.46 40.75 1acm s ILE 86 CO 0.11 0.53 0.19 -0.62 0.00 0.00 0.00 174.94 175.15 1acm s ASP 87 N -0.43 -0.09 -1.44 3.58 -1.08 -0.30 -0.77 116.67 116.13 1acm s ASP 87 Ca 0.05 0.05 -0.13 0.00 -0.52 0.00 0.00 52.55 52.00 1acm s ASP 87 Cb -0.10 0.30 0.11 0.00 -1.46 0.00 0.00 42.92 41.76 1acm s ASP 87 CO 0.00 -0.28 0.64 -3.20 0.52 0.00 0.00 175.17 172.85 1acm n ASN 88 N 1.94 -3.56 0.00 -0.34 5.15 0.40 0.14 115.26 118.99 1acm n ASN 88 Ca -0.19 -0.65 0.00 0.00 -0.60 0.00 0.00 54.58 53.14 1acm n ASN 88 Cb 0.57 -2.93 0.00 0.00 -0.53 0.00 0.00 39.78 36.89 1acm n ASN 88 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1acm n TYR 89 N -4.13 0.00 -3.53 1.20 4.02 -0.18 -4.93 117.16 109.60 1acm n TYR 89 Ca 0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.54 1acm n TYR 89 Cb 0.52 -1.52 -0.06 0.00 -0.02 0.00 0.00 39.34 38.26 1acm n TYR 89 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1acm s GLU 90 N -1.20 3.89 -1.03 -0.72 2.02 0.12 -4.98 118.70 116.81 1acm s GLU 90 Ca 0.00 0.35 -0.23 0.00 0.02 0.00 0.00 54.97 55.11 1acm s GLU 90 Cb 0.00 -3.23 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 1acm s GLU 90 CO 0.00 0.67 1.81 0.08 0.02 0.00 0.00 175.26 177.84 1acm s VAL 91 N -0.98 3.64 0.30 2.63 1.01 -1.26 -1.15 120.40 124.59 1acm s VAL 91 Ca 0.23 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1acm s VAL 91 Cb -0.16 -4.48 0.14 0.00 0.00 0.00 0.00 36.38 31.88 1acm s VAL 91 CO 0.12 -1.29 1.82 0.58 0.00 0.00 0.00 175.10 176.33 1acm h VAL 92 N 6.77 1.22 -2.99 2.92 2.07 -1.01 -3.46 116.25 121.77 1acm h VAL 92 Ca 0.18 -0.89 -0.10 0.00 0.82 0.00 0.00 66.70 66.71 1acm h VAL 92 Cb 0.98 0.89 -0.19 0.00 -1.52 0.00 0.00 31.29 31.45 1acm h VAL 92 CO 1.29 0.31 -0.21 -0.83 0.02 0.00 0.00 177.57 178.15 1acm s GLY 93 N -3.77 -0.20 0.03 2.17 0.00 -0.85 -4.98 107.32 99.72 1acm s GLY 93 Ca -0.09 0.35 0.06 0.00 0.00 0.00 0.00 44.72 45.05 1acm s GLY 93 CO 0.79 0.12 -0.18 1.25 0.00 0.00 0.00 173.10 175.08 1acm s LYS 94 N -1.66 1.29 0.06 2.90 2.20 -1.26 -0.38 119.74 122.88 1acm s LYS 94 Ca -0.11 -0.82 -0.06 0.00 -0.36 0.00 0.00 55.97 54.62 1acm s LYS 94 Cb -0.03 -1.34 -0.01 0.00 -1.51 0.00 0.00 37.83 34.93 1acm s LYS 94 CO 0.03 0.35 0.12 -1.12 -0.36 0.00 0.00 175.35 174.36 1acm s SER 95 N -0.97 0.19 -0.03 1.43 0.01 0.57 -4.98 113.70 109.93 1acm s SER 95 Ca 0.06 -0.62 -0.00 0.00 1.31 0.00 0.00 55.95 56.69 1acm s SER 95 Cb -0.08 0.26 0.03 0.00 0.21 0.00 0.00 66.02 66.44 1acm s SER 95 CO 0.01 -0.60 0.02 -0.60 0.41 0.00 0.00 173.24 172.49 1acm s ARG 96 N -3.20 0.10 0.56 12.44 6.06 -1.26 -0.80 118.95 132.85 1acm s ARG 96 Ca -0.00 0.18 -0.18 0.00 -2.50 0.00 0.00 55.73 53.24 1acm s ARG 96 Cb 0.02 -0.42 -0.05 0.00 0.06 0.00 0.00 34.95 34.56 1acm s ARG 96 CO -0.07 -0.20 1.06 -2.14 -2.50 0.00 0.00 175.30 171.45 1acm s PRO 97 N 1.32 3.47 0.21 5.12 0.02 -1.26 -5.04 135.00 138.83 1acm s PRO 97 Ca -0.06 1.30 0.07 0.00 0.02 0.00 0.00 61.00 62.33 1acm s PRO 97 Cb -0.13 -2.05 -0.04 0.00 0.02 0.00 0.00 34.50 32.30 1acm s PRO 97 CO -0.03 -0.70 0.09 -1.12 -0.33 0.00 0.00 177.00 174.91 1acm s SER 98 N -2.43 5.12 -0.08 2.53 0.01 -1.26 -4.87 113.70 112.73 1acm s SER 98 Ca 0.66 -0.34 -0.30 0.00 1.31 0.00 0.00 55.95 57.28 1acm s SER 98 Cb -0.17 -1.20 -0.03 0.00 0.21 0.00 0.00 66.02 64.84 1acm s SER 98 CO 0.30 0.03 1.21 -0.76 0.41 0.00 0.00 173.24 174.44 1acm s LEU 99 N -3.38 4.26 1.21 2.44 1.43 -1.26 -4.72 118.68 118.66 1acm s LEU 99 Ca 0.31 1.79 -0.19 0.00 -1.03 0.00 0.00 54.13 55.01 1acm s LEU 99 Cb -0.08 -3.55 0.29 0.00 0.03 0.00 0.00 46.19 42.87 1acm s LEU 99 CO 0.22 -0.62 1.09 -2.16 0.23 0.00 0.00 176.35 175.11 1acm s PRO 100 N 2.44 -1.26 0.36 1.29 0.04 -1.26 -4.95 135.00 131.66 1acm s PRO 100 Ca 0.56 0.01 0.19 0.00 0.04 0.00 0.00 61.00 61.79 1acm s PRO 100 Cb -0.24 -1.58 0.53 0.00 0.04 0.00 0.00 34.50 33.25 1acm s PRO 100 CO 0.21 -3.75 1.66 0.93 0.04 0.00 0.00 177.00 176.08 1acm h GLU 101 N -2.61 0.00 -3.02 4.56 3.07 -1.96 -3.41 114.58 111.22 1acm h GLU 101 Ca -0.46 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.34 1acm h GLU 101 Cb 1.30 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 29.06 1acm h GLU 101 CO 0.36 0.37 -0.04 -0.98 -1.40 0.00 0.00 179.01 177.32 1acm s ARG 102 N -3.40 1.00 -0.15 2.33 1.70 -1.26 -0.04 118.95 119.14 1acm s ARG 102 Ca 0.02 -0.40 -0.01 0.00 -0.47 0.00 0.00 55.73 54.87 1acm s ARG 102 Cb 0.10 0.45 0.04 0.00 -0.57 0.00 0.00 34.95 34.96 1acm s ARG 102 CO 0.69 -0.36 -0.04 0.42 -1.08 0.00 0.00 175.30 174.92 1acm s ILE 103 N -2.78 0.97 0.23 4.99 1.01 0.26 -4.92 121.20 120.96 1acm s ILE 103 Ca -0.03 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.19 1acm s ILE 103 Cb -0.00 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 1acm s ILE 103 CO -0.05 0.16 0.28 -1.81 0.00 0.00 0.00 174.94 173.52 1acm s ASP 104 N 1.70 5.99 0.00 3.58 1.01 -1.26 -0.54 116.67 127.15 1acm s ASP 104 Ca 0.02 -0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.24 1acm s ASP 104 Cb -0.15 -1.68 0.00 0.00 1.01 0.00 0.00 42.92 42.10 1acm s ASP 104 CO -0.08 -0.03 0.00 0.59 0.21 0.00 0.00 175.17 175.86 1acm n ASN 105 N -1.15 0.00 -0.04 0.27 4.13 0.33 -4.64 115.26 114.17 1acm n ASN 105 Ca -0.08 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.22 1acm n ASN 105 Cb 0.57 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.65 1acm n ASN 105 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1acm n VAL 106 N 0.00 0.44 -3.73 2.41 0.24 -1.26 -4.73 118.33 111.69 1acm n VAL 106 Ca 0.00 -0.59 -0.25 0.00 -2.04 0.00 0.00 64.34 61.45 1acm n VAL 106 Cb 0.00 -0.14 -0.03 0.00 -1.47 0.00 0.00 33.84 32.20 1acm n VAL 106 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1acm s LEU 107 N -4.78 4.22 -0.14 1.34 1.43 -1.26 -5.10 118.68 114.40 1acm s LEU 107 Ca -0.08 0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 1acm s LEU 107 Cb 0.11 -3.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.23 1acm s LEU 107 CO 0.85 -0.08 -0.16 -0.69 0.23 0.00 0.00 176.35 176.50 1acm s VAL 108 N -1.95 2.71 0.08 -1.59 1.01 -1.26 -4.77 120.40 114.63 1acm s VAL 108 Ca 0.37 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 61.27 1acm s VAL 108 Cb -0.10 -2.13 -0.08 0.00 0.00 0.00 0.00 36.38 34.07 1acm s VAL 108 CO 0.30 0.52 1.63 0.00 0.00 0.00 0.00 175.10 177.56 1acm h PRO 110 N 8.10 0.00 -6.34 0.00 0.11 -1.93 -3.42 132.00 128.53 1acm h PRO 110 Ca -0.42 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.12 1acm h PRO 110 Cb 1.20 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.22 1acm h PRO 110 CO 0.93 0.00 0.88 1.21 -0.21 0.00 0.00 178.00 180.80 1acm s ASN 111 N -4.84 6.37 0.28 -2.05 2.47 -1.26 -4.91 114.94 111.00 1acm s ASN 111 Ca -0.03 -0.12 0.05 0.00 0.42 0.00 0.00 52.86 53.17 1acm s ASN 111 Cb 0.10 -2.52 0.77 0.00 -1.45 0.00 0.00 41.25 38.15 1acm s ASN 111 CO 0.36 -1.47 1.37 -1.20 -3.72 0.00 0.00 177.10 172.44 1acm n SER 112 N 8.33 -0.03 -1.04 -4.21 7.64 -1.26 -0.91 113.62 122.14 1acm n SER 112 Ca 0.06 1.48 0.05 0.00 1.01 0.00 0.00 58.87 61.46 1acm n SER 112 Cb 0.49 -0.57 0.20 0.00 -1.01 0.00 0.00 64.21 63.31 1acm n SER 112 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1acm n ASN 113 N -5.22 2.96 -4.73 6.43 5.15 -1.26 -4.86 115.26 113.73 1acm n ASN 113 Ca 0.23 -2.30 -0.41 0.00 -0.60 0.00 0.00 54.58 51.50 1acm n ASN 113 Cb 0.76 -0.47 -0.04 0.00 -0.53 0.00 0.00 39.78 39.50 1acm n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1acm h ILE 115 N 3.95 0.00 -0.39 0.00 6.09 -1.89 -2.58 117.51 122.69 1acm h ILE 115 Ca -0.43 -0.02 0.06 0.00 -1.37 0.00 0.00 64.86 63.10 1acm h ILE 115 Cb 1.21 0.87 -0.02 0.00 0.47 0.00 0.00 36.82 39.35 1acm h ILE 115 CO 0.72 0.00 0.26 0.77 -3.07 0.00 0.00 178.15 176.84 1acm h SER 116 N 0.00 0.22 1.13 2.19 4.64 -1.91 -0.78 113.55 119.05 1acm h SER 116 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1acm h SER 116 Cb 0.02 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1acm h SER 116 CO 0.00 0.14 -0.13 0.45 -0.87 0.00 0.00 176.83 176.42 1acm h HIS 117 N 0.25 0.00 0.00 4.77 3.86 -1.80 -3.37 115.15 118.86 1acm h HIS 117 Ca 0.17 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.18 1acm h HIS 117 Cb 0.37 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.80 1acm h HIS 117 CO -0.00 0.13 -1.81 0.00 0.86 0.00 0.00 177.93 177.11 1acm n ALA 118 N -2.16 1.76 -2.06 2.45 0.00 -0.34 -5.03 120.51 115.13 1acm n ALA 118 Ca 0.01 -0.76 -0.20 0.00 0.00 0.00 0.00 53.44 52.48 1acm n ALA 118 Cb 0.42 -0.04 0.02 0.00 0.00 0.00 0.00 19.45 19.85 1acm n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1acm s GLU 119 N -2.34 2.72 -1.39 0.00 0.41 -0.97 -4.99 118.70 112.14 1acm s GLU 119 Ca -0.06 -0.90 -0.11 0.00 -0.41 0.00 0.00 54.97 53.49 1acm s GLU 119 Cb 0.04 -2.60 0.09 0.00 -1.78 0.00 0.00 34.13 29.88 1acm s GLU 119 CO 0.50 -0.49 2.15 -0.35 -0.49 0.00 0.00 175.26 176.58 1acm n PRO 120 N -2.13 3.39 -4.18 0.39 -0.04 -1.26 -4.91 135.00 126.26 1acm n PRO 120 Ca 0.07 -3.03 -0.18 0.00 -0.04 0.00 0.00 63.50 60.31 1acm n PRO 120 Cb 0.59 -3.04 -0.12 0.00 -0.04 0.00 0.00 33.50 30.89 1acm n PRO 120 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1acm s VAL 121 N 1.56 1.06 -0.03 0.52 -7.23 -1.26 -5.12 120.40 109.91 1acm s VAL 121 Ca 0.46 -1.25 -0.30 0.00 -1.81 0.00 0.00 61.98 59.08 1acm s VAL 121 Cb 0.13 -1.02 -0.03 0.00 0.56 0.00 0.00 36.38 36.01 1acm s VAL 121 CO -0.05 -0.21 1.12 -0.44 -0.31 0.00 0.00 175.10 175.21 1acm s SER 122 N -1.65 7.16 0.81 4.85 0.01 -1.26 -4.99 113.70 118.62 1acm s SER 122 Ca -0.02 1.78 -0.14 0.00 1.31 0.00 0.00 55.95 58.88 1acm s SER 122 Cb -0.10 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.62 1acm s SER 122 CO 0.02 -0.47 0.99 -1.54 0.41 0.00 0.00 173.24 172.66 1acm n SER 123 N 4.60 0.29 -3.64 2.44 3.41 -1.26 -4.73 113.62 114.74 1acm n SER 123 Ca 0.09 0.56 -0.08 0.00 -0.26 0.00 0.00 58.87 59.18 1acm n SER 123 Cb 0.48 -1.42 -0.07 0.00 -0.26 0.00 0.00 64.21 62.93 1acm n SER 123 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1acm s SER 124 N -1.99 -0.88 0.06 4.04 0.01 -1.26 -0.51 113.70 113.18 1acm s SER 124 Ca 0.70 1.46 0.05 0.00 1.31 0.00 0.00 55.95 59.47 1acm s SER 124 Cb -0.29 1.39 -0.03 0.00 0.21 0.00 0.00 66.02 67.30 1acm s SER 124 CO 0.54 -0.24 -0.14 -0.36 0.41 0.00 0.00 173.24 173.45 1acm s PHE 125 N 1.33 1.20 0.08 2.43 0.40 0.30 -1.08 117.98 122.64 1acm s PHE 125 Ca -0.08 -0.44 -0.08 0.00 -0.60 0.00 0.00 56.93 55.74 1acm s PHE 125 Cb -0.05 -0.68 -0.05 0.00 0.51 0.00 0.00 43.02 42.74 1acm s PHE 125 CO -0.15 0.05 0.36 0.00 0.70 0.00 0.00 175.22 176.18 1acm s ALA 126 N -1.19 3.77 -0.51 5.36 0.00 -0.22 -0.57 121.76 128.41 1acm s ALA 126 Ca -0.01 -0.48 -0.05 0.00 0.00 0.00 0.00 51.96 51.41 1acm s ALA 126 Cb -0.10 -2.18 0.13 0.00 0.00 0.00 0.00 23.12 20.98 1acm s ALA 126 CO 0.02 0.62 0.34 0.08 0.00 0.00 0.00 175.76 176.82 1acm s VAL 127 N -1.45 3.82 -0.10 0.00 1.01 0.94 -1.42 120.40 123.20 1acm s VAL 127 Ca 0.34 -2.23 -0.02 0.00 0.00 0.00 0.00 61.98 60.07 1acm s VAL 127 Cb -0.13 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1acm s VAL 127 CO 0.20 -0.79 -0.01 0.00 0.00 0.00 0.00 175.10 174.50 1acm s ARG 128 N 0.84 3.16 -1.16 2.72 1.70 -0.57 -4.69 118.95 120.94 1acm s ARG 128 Ca 0.10 -0.44 -0.09 0.00 -0.47 0.00 0.00 55.73 54.83 1acm s ARG 128 Cb -0.22 -2.82 0.24 0.00 -0.57 0.00 0.00 34.95 31.58 1acm s ARG 128 CO -0.03 0.58 1.36 0.36 -1.08 0.00 0.00 175.30 176.48 1acm n LYS 129 N 2.52 3.67 -2.33 3.89 0.00 -1.26 -0.32 118.16 124.32 1acm n LYS 129 Ca -0.18 -4.21 -0.39 0.00 -0.00 0.00 0.00 58.31 53.54 1acm n LYS 129 Cb 0.53 -2.72 -0.02 0.00 -0.00 0.00 0.00 35.03 32.82 1acm n LYS 129 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1acm n ARG 130 N 3.39 2.67 0.00 -1.58 0.00 -0.29 -4.85 116.66 116.01 1acm n ARG 130 Ca 0.30 -2.96 0.00 0.00 -0.00 0.00 0.00 57.85 55.19 1acm n ARG 130 Cb 0.39 -3.53 0.00 0.00 0.00 0.00 0.00 32.46 29.32 1acm n ARG 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1acm n ALA 131 N 9.89 0.00 0.02 5.13 0.00 -1.26 -2.27 120.51 132.03 1acm n ALA 131 Ca 0.48 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.79 1acm n ALA 131 Cb 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.77 1acm n ALA 131 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1acm h ASN 132 N 0.00 0.19 -5.05 0.00 4.21 -2.01 -3.49 115.58 109.42 1acm h ASN 132 Ca 0.00 -0.32 0.03 0.00 1.21 0.00 0.00 56.30 57.22 1acm h ASN 132 Cb 0.00 -0.06 -0.05 0.00 -1.12 0.00 0.00 38.32 37.09 1acm h ASN 132 CO 0.00 1.28 0.16 1.51 -1.29 0.00 0.00 177.43 179.09 1acm s ASP 133 N -6.59 -0.19 0.09 5.81 -4.77 -0.96 -5.14 116.67 104.92 1acm s ASP 133 Ca -0.08 -0.73 -0.30 0.00 -3.30 0.00 0.00 52.55 48.14 1acm s ASP 133 Cb 0.08 0.71 -0.06 0.00 -1.09 0.00 0.00 42.92 42.56 1acm s ASP 133 CO 0.82 -1.34 1.11 -0.63 0.70 0.00 0.00 175.17 175.83 1acm s ILE 134 N -3.78 4.20 -0.08 2.11 -1.09 -1.26 -1.13 121.20 120.16 1acm s ILE 134 Ca 0.14 1.67 -0.02 0.00 -2.23 0.00 0.00 60.65 60.21 1acm s ILE 134 Cb -0.05 -4.07 -0.03 0.00 -1.58 0.00 0.00 42.46 36.73 1acm s ILE 134 CO 0.08 0.19 0.01 0.00 -1.23 0.00 0.00 174.94 173.99 1acm s ALA 135 N 0.60 3.32 -0.14 9.38 0.00 0.56 -0.88 121.76 134.60 1acm s ALA 135 Ca 0.54 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.71 1acm s ALA 135 Cb -0.27 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.36 1acm s ALA 135 CO 0.31 0.60 -0.21 -0.51 0.00 0.00 0.00 175.76 175.95 1acm s LEU 136 N -0.96 2.04 -0.19 0.00 1.43 0.10 -1.52 118.68 119.59 1acm s LEU 136 Ca 0.14 -0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 52.58 1acm s LEU 136 Cb -0.11 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1acm s LEU 136 CO 0.03 0.07 0.10 -0.75 0.23 0.00 0.00 176.35 176.02 1acm s LYS 137 N 0.87 4.03 0.15 1.70 2.20 -0.51 -0.50 119.74 127.68 1acm s LYS 137 Ca -0.06 -0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 54.97 1acm s LYS 137 Cb -0.15 -3.30 -0.07 0.00 -1.51 0.00 0.00 37.83 32.80 1acm s LYS 137 CO -0.02 0.32 1.11 0.00 -0.36 0.00 0.00 175.35 176.40 1acm h LYS 139 N 5.50 0.00 0.00 0.00 3.64 -1.45 -2.47 116.57 121.78 1acm h LYS 139 Ca -0.44 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.84 1acm h LYS 139 Cb 1.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1acm h LYS 139 CO 0.74 0.06 -1.20 0.66 -2.27 0.00 0.00 179.45 177.43 1acm n TYR 140 N -3.88 0.25 1.56 1.91 4.01 -1.26 -4.59 117.16 115.16 1acm n TYR 140 Ca -0.03 0.11 0.14 0.00 -0.16 0.00 0.00 57.90 57.97 1acm n TYR 140 Cb 0.15 -0.68 0.59 0.00 -0.31 0.00 0.00 39.34 39.08 1acm n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1acm n GLU 142 N -0.14 -0.72 -2.19 0.00 1.02 -0.93 -4.97 120.64 112.71 1acm n GLU 142 Ca 0.19 0.17 -0.33 0.00 -0.02 0.00 0.00 57.16 57.17 1acm n GLU 142 Cb 0.31 -4.56 -0.00 0.00 -0.02 0.00 0.00 31.44 27.17 1acm n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1acm s LYS 143 N -1.31 3.44 -0.06 3.49 1.02 -1.26 -4.69 119.74 120.38 1acm s LYS 143 Ca 0.00 1.27 0.06 0.00 0.02 0.00 0.00 55.97 57.32 1acm s LYS 143 Cb 0.00 -2.05 -0.01 0.00 -0.52 0.00 0.00 37.83 35.25 1acm s LYS 143 CO 0.00 -0.72 -0.25 -2.00 -0.92 0.00 0.00 175.35 171.46 1acm s GLU 144 N -3.80 2.55 0.19 1.68 2.12 -1.26 -1.15 118.70 119.02 1acm s GLU 144 Ca 0.65 -0.90 0.05 0.00 0.36 0.00 0.00 54.97 55.12 1acm s GLU 144 Cb -0.17 -2.17 -0.05 0.00 0.26 0.00 0.00 34.13 32.01 1acm s GLU 144 CO 0.32 0.39 -0.07 -0.06 -0.54 0.00 0.00 175.26 175.29 1acm s PHE 145 N -0.18 1.45 0.23 5.30 0.40 0.35 -4.91 117.98 120.62 1acm s PHE 145 Ca -0.03 -0.78 -0.30 0.00 -0.60 0.00 0.00 56.93 55.22 1acm s PHE 145 Cb -0.14 -0.77 -0.09 0.00 0.51 0.00 0.00 43.02 42.54 1acm s PHE 145 CO 0.04 0.09 1.10 0.45 0.70 0.00 0.00 175.22 177.59 1acm s SER 146 N -3.24 7.28 0.62 1.36 0.15 -1.26 -0.72 113.70 117.89 1acm s SER 146 Ca 0.22 2.17 0.33 0.00 0.70 0.00 0.00 55.95 59.37 1acm s SER 146 Cb 0.03 -2.61 1.89 0.00 -1.71 0.00 0.00 66.02 63.61 1acm s SER 146 CO 0.04 -0.17 2.18 1.12 1.20 0.00 0.00 173.24 177.61 1acm h HIS 147 N 4.48 0.00 -0.20 3.44 2.07 -1.36 0.19 115.15 123.78 1acm h HIS 147 Ca -0.45 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.06 1acm h HIS 147 Cb 1.21 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.18 1acm h HIS 147 CO 0.61 0.00 0.11 -0.91 -3.07 0.00 0.00 177.93 174.67 1acm h ASN 148 N 0.00 0.25 0.11 3.10 2.35 -1.88 -1.17 115.58 118.33 1acm h ASN 148 Ca 0.04 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1acm h ASN 148 Cb 0.29 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1acm h ASN 148 CO -0.00 0.25 -0.05 0.58 -1.65 0.00 0.00 177.43 176.56 1acm h VAL 149 N 0.23 1.03 -0.61 2.81 2.07 -1.05 -2.45 116.25 118.27 1acm h VAL 149 Ca 0.07 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1acm h VAL 149 Cb 0.06 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1acm h VAL 149 CO -0.01 0.13 0.17 0.58 0.02 0.00 0.00 177.57 178.46 1acm h VAL 150 N -0.40 1.23 -2.28 2.57 2.07 -1.13 -3.05 116.25 115.26 1acm h VAL 150 Ca -0.02 -0.83 -0.60 0.00 0.82 0.00 0.00 66.70 66.08 1acm h VAL 150 Cb 0.33 0.59 -0.41 0.00 -1.52 0.00 0.00 31.29 30.27 1acm h VAL 150 CO 0.03 0.32 -0.55 0.00 0.02 0.00 0.00 177.57 177.38 1acm n LEU 151 N -4.27 4.58 -4.90 2.57 -0.00 -0.45 -4.50 117.00 110.02 1acm n LEU 151 Ca 0.05 -5.65 -0.28 0.00 -0.00 0.00 0.00 56.01 50.12 1acm n LEU 151 Cb 0.22 -0.60 0.04 0.00 -0.00 0.00 0.00 43.42 43.07 1acm n LEU 151 CO 0.40 2.31 0.64 0.00 -0.00 0.00 0.00 177.39 180.75 1acm s ALA 152 N -3.42 3.10 0.00 1.47 0.00 -0.93 -4.84 121.76 117.14 1acm s ALA 152 Ca 0.48 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1acm s ALA 152 Cb 0.26 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.56 1acm s ALA 152 CO -0.13 -0.95 0.00 0.27 0.00 0.00 0.00 175.76 174.95