#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x24 s VAL 10 N 0.00 5.25 -0.09 0.52 -7.23 -0.98 -4.93 120.40 112.95 1x24 s VAL 10 Ca 0.00 0.73 0.01 0.00 -1.81 0.00 0.00 61.98 60.91 1x24 s VAL 10 Cb 0.00 -3.72 -0.02 0.00 0.56 0.00 0.00 36.38 33.20 1x24 s VAL 10 CO 0.00 0.36 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.34 1x24 s GLU 11 N 0.52 3.01 -0.02 4.82 2.12 -1.26 -0.70 118.70 127.19 1x24 s GLU 11 Ca 0.21 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 54.90 1x24 s GLU 11 Cb -0.14 -2.58 0.02 0.00 0.26 0.00 0.00 34.13 31.69 1x24 s GLU 11 CO 0.07 0.44 -0.00 0.54 -0.54 0.00 0.00 175.26 175.76 1x24 s VAL 12 N -0.23 0.16 0.02 3.70 0.11 -0.81 -4.98 120.40 118.36 1x24 s VAL 12 Ca 0.02 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.12 1x24 s VAL 12 Cb -0.13 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.48 1x24 s VAL 12 CO 0.03 0.11 -0.06 0.42 -3.33 0.00 0.00 175.10 172.27 1x24 s THR 13 N 0.69 0.45 -0.09 5.04 -4.23 -1.26 -1.18 115.64 115.05 1x24 s THR 13 Ca -0.07 -0.59 -0.09 0.00 -1.18 0.00 0.00 61.69 59.76 1x24 s THR 13 Cb -0.10 -0.45 0.02 0.00 1.34 0.00 0.00 72.50 73.32 1x24 s THR 13 CO -0.01 -0.11 0.24 -0.47 -0.54 0.00 0.00 174.62 173.73 1x24 s TYR 14 N -0.68 -0.26 0.00 3.99 6.04 -0.91 -5.00 117.35 120.52 1x24 s TYR 14 Ca -0.04 0.63 0.00 0.00 0.04 0.00 0.00 57.07 57.70 1x24 s TYR 14 Cb -0.06 0.09 0.00 0.00 -1.04 0.00 0.00 41.96 40.95 1x24 s TYR 14 CO 0.00 -0.14 0.00 1.63 -1.54 0.00 0.00 175.55 175.50 1x24 n LYS 15 N 2.86 0.00 -0.21 4.97 4.76 -1.26 -0.39 118.16 128.89 1x24 n LYS 15 Ca -0.13 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.38 1x24 n LYS 15 Cb 0.58 0.00 0.19 0.00 -1.84 0.00 0.00 35.03 33.96 1x24 n LYS 15 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1x24 n ASN 16 N 6.19 3.12 -4.93 4.39 6.94 -1.26 -4.98 115.26 124.73 1x24 n ASN 16 Ca 0.00 -1.98 -0.28 0.00 -0.02 0.00 0.00 54.58 52.30 1x24 n ASN 16 Cb 0.00 -0.28 -0.03 0.00 -2.36 0.00 0.00 39.78 37.11 1x24 n ASN 16 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1x24 s MET 17 N -1.01 3.48 -0.27 -3.83 -1.94 0.48 -4.75 119.30 111.45 1x24 s MET 17 Ca 0.28 -0.44 -0.04 0.00 -1.71 0.00 0.00 55.69 53.78 1x24 s MET 17 Cb 0.15 -2.93 0.15 0.00 2.01 0.00 0.00 34.83 34.21 1x24 s MET 17 CO 0.20 0.49 0.55 0.50 -0.01 0.00 0.00 175.02 176.74 1x24 s ARG 18 N -3.09 0.50 0.21 2.03 3.52 -1.26 -2.15 118.95 118.70 1x24 s ARG 18 Ca 0.36 1.04 0.09 0.00 -0.13 0.00 0.00 55.73 57.09 1x24 s ARG 18 Cb -0.11 0.41 -0.04 0.00 -1.56 0.00 0.00 34.95 33.65 1x24 s ARG 18 CO 0.28 -0.46 -0.03 -0.06 -0.81 0.00 0.00 175.30 174.22 1x24 s PHE 19 N 2.78 2.72 -0.10 5.12 0.40 -0.33 -1.60 117.98 126.98 1x24 s PHE 19 Ca 0.09 -0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.25 1x24 s PHE 19 Cb -0.14 -1.28 0.01 0.00 0.51 0.00 0.00 43.02 42.12 1x24 s PHE 19 CO -0.18 0.56 -0.16 -1.17 0.70 0.00 0.00 175.22 174.96 1x24 s LEU 20 N -3.20 1.79 -0.38 -0.37 2.96 0.14 -1.93 118.68 117.69 1x24 s LEU 20 Ca 0.28 -0.43 -0.06 0.00 -0.22 0.00 0.00 54.13 53.70 1x24 s LEU 20 Cb -0.08 -1.10 0.07 0.00 0.50 0.00 0.00 46.19 45.58 1x24 s LEU 20 CO 0.18 0.05 0.17 -0.63 -1.32 0.00 0.00 176.35 174.80 1x24 s ILE 21 N 0.77 3.77 0.53 6.68 1.01 0.12 -0.27 121.20 133.81 1x24 s ILE 21 Ca -0.11 -1.44 0.04 0.00 0.00 0.00 0.00 60.65 59.14 1x24 s ILE 21 Cb -0.16 -3.28 0.02 0.00 0.01 0.00 0.00 42.46 39.05 1x24 s ILE 21 CO 0.02 -0.39 0.29 0.42 0.00 0.00 0.00 174.94 175.28 1x24 s THR 22 N 1.34 1.55 -0.02 2.92 -4.23 -1.01 -2.31 115.64 113.87 1x24 s THR 22 Ca 0.02 -1.63 -0.08 0.00 -1.18 0.00 0.00 61.69 58.81 1x24 s THR 22 Cb -0.21 -2.18 -0.05 0.00 1.34 0.00 0.00 72.50 71.40 1x24 s THR 22 CO 0.01 0.00 0.26 -1.00 -0.54 0.00 0.00 174.62 173.35 1x24 s HIS 23 N -2.79 3.61 0.01 3.99 3.76 -1.26 -4.28 115.29 118.33 1x24 s HIS 23 Ca 0.27 0.64 -0.33 0.00 -0.15 0.00 0.00 55.06 55.48 1x24 s HIS 23 Cb -0.01 -2.03 -0.12 0.00 1.11 0.00 0.00 32.58 31.52 1x24 s HIS 23 CO 0.16 0.65 1.80 -1.71 -0.85 0.00 0.00 174.74 174.79 1x24 n ASN 24 N 1.46 3.46 -4.79 1.40 4.05 -1.26 -4.92 115.26 114.65 1x24 n ASN 24 Ca -0.14 1.00 -0.33 0.00 0.45 0.00 0.00 54.58 55.56 1x24 n ASN 24 Cb 0.53 -1.42 0.02 0.00 1.23 0.00 0.00 39.78 40.14 1x24 n ASN 24 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1x24 s PRO 25 N 3.04 3.21 0.58 1.20 0.04 -1.26 -5.02 135.00 136.79 1x24 s PRO 25 Ca 0.87 1.27 -0.06 0.00 0.04 0.00 0.00 61.00 63.13 1x24 s PRO 25 Cb -0.65 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1x24 s PRO 25 CO 0.45 -0.90 0.89 0.95 0.04 0.00 0.00 177.00 178.43 1x24 s THR 26 N -2.38 3.76 0.58 1.26 -4.23 -1.26 -4.90 115.64 108.46 1x24 s THR 26 Ca 0.65 0.01 0.31 0.00 -1.18 0.00 0.00 61.69 61.48 1x24 s THR 26 Cb -0.17 -3.48 0.36 0.00 1.34 0.00 0.00 72.50 70.54 1x24 s THR 26 CO 0.37 -0.49 2.25 0.78 -0.54 0.00 0.00 174.62 176.98 1x24 h ASN 27 N -0.13 0.00 0.37 3.99 2.35 -1.96 -2.10 115.58 118.09 1x24 h ASN 27 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1x24 h ASN 27 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1x24 h ASN 27 CO 0.61 0.01 -1.35 0.00 -1.65 0.00 0.00 177.43 175.05 1x24 n ALA 28 N -2.29 3.12 -0.08 -0.83 0.00 -1.26 -4.15 120.51 115.01 1x24 n ALA 28 Ca -0.03 -0.42 0.08 0.00 0.00 0.00 0.00 53.44 53.07 1x24 n ALA 28 Cb 0.10 -0.91 0.20 0.00 0.00 0.00 0.00 19.45 18.84 1x24 n ALA 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x24 n THR 29 N -2.18 0.81 -0.07 0.00 -2.24 -0.85 -4.58 114.28 105.18 1x24 n THR 29 Ca -0.00 -0.91 0.02 0.00 -2.27 0.00 0.00 64.05 60.89 1x24 n THR 29 Cb 0.50 0.66 0.34 0.00 -2.10 0.00 0.00 70.33 69.73 1x24 n THR 29 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1x24 h LEU 30 N 3.13 0.60 -0.50 3.22 5.85 -1.56 -0.68 115.31 125.37 1x24 h LEU 30 Ca 0.00 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 1x24 h LEU 30 Cb 0.83 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1x24 h LEU 30 CO 0.00 0.48 -0.12 0.78 -0.34 0.00 0.00 178.44 179.23 1x24 h ASN 31 N 0.69 0.97 -0.12 1.25 2.35 -1.88 -2.54 115.58 116.30 1x24 h ASN 31 Ca 0.18 -0.36 -0.12 0.00 -0.55 0.00 0.00 56.30 55.45 1x24 h ASN 31 Cb -0.00 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.10 1x24 h ASN 31 CO -0.03 1.11 -0.38 0.11 -1.65 0.00 0.00 177.43 176.58 1x24 h LYS 32 N 0.82 0.47 -0.84 0.81 1.57 -1.83 -2.48 116.57 115.10 1x24 h LYS 32 Ca 0.13 -0.35 0.20 0.00 -1.87 0.00 0.00 60.65 58.76 1x24 h LYS 32 Cb 0.68 0.06 -0.15 0.00 0.08 0.00 0.00 32.23 32.90 1x24 h LYS 32 CO 0.05 0.97 -0.01 0.35 -0.57 0.00 0.00 179.45 180.24 1x24 h PHE 33 N 0.07 -0.09 0.92 -1.35 3.57 -1.09 0.28 116.94 119.25 1x24 h PHE 33 Ca -0.01 0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 1x24 h PHE 33 Cb 1.01 0.17 0.01 0.00 2.79 0.00 0.00 35.95 39.93 1x24 h PHE 33 CO 0.11 -0.30 -0.44 0.82 -2.23 0.00 0.00 178.31 176.26 1x24 h ILE 34 N 0.07 0.09 -1.02 1.41 1.08 -1.41 0.52 117.51 118.25 1x24 h ILE 34 Ca 0.46 -0.01 0.36 0.00 -0.39 0.00 0.00 64.86 65.29 1x24 h ILE 34 Cb 0.85 0.09 -0.16 0.00 -3.07 0.00 0.00 36.82 34.53 1x24 h ILE 34 CO -0.76 0.00 0.58 -0.08 -0.69 0.00 0.00 178.15 177.20 1x24 h GLU 35 N -1.25 0.19 0.16 2.37 4.81 -0.35 0.35 114.58 120.86 1x24 h GLU 35 Ca -0.13 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1x24 h GLU 35 Cb 0.95 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.29 1x24 h GLU 35 CO 0.21 0.13 -0.08 1.49 -0.73 0.00 0.00 179.01 180.03 1x24 h GLU 36 N 0.20 -0.21 -1.00 1.92 4.81 -0.23 -2.67 114.58 117.40 1x24 h GLU 36 Ca 0.78 0.01 0.23 0.00 -0.13 0.00 0.00 59.36 60.25 1x24 h GLU 36 Cb 1.93 0.05 -0.10 0.00 0.63 0.00 0.00 28.75 31.26 1x24 h GLU 36 CO -0.64 0.17 0.62 -0.07 -0.73 0.00 0.00 179.01 178.36 1x24 h LEU 37 N -0.94 0.64 -0.59 1.64 3.38 0.79 0.54 115.31 120.76 1x24 h LEU 37 Ca -0.02 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1x24 h LEU 37 Cb 0.47 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1x24 h LEU 37 CO 0.04 0.17 0.25 0.50 0.09 0.00 0.00 178.44 179.49 1x24 h LYS 38 N 0.59 0.88 -0.02 1.13 1.63 -0.44 -1.05 116.57 119.29 1x24 h LYS 38 Ca 0.59 -0.15 0.02 0.00 -0.85 0.00 0.00 60.65 60.26 1x24 h LYS 38 Cb 1.17 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.63 1x24 h LYS 38 CO -0.37 0.74 -0.08 0.87 -3.45 0.00 0.00 179.45 177.16 1x24 h LYS 39 N 0.82 -0.13 0.00 1.90 1.79 0.41 0.07 116.57 121.43 1x24 h LYS 39 Ca 0.20 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1x24 h LYS 39 Cb 0.17 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1x24 h LYS 39 CO -0.02 -0.09 0.00 0.66 -1.08 0.00 0.00 179.45 178.92 1x24 n TYR 40 N -5.21 0.00 -2.88 -1.35 4.01 -0.56 -4.87 117.16 106.29 1x24 n TYR 40 Ca -0.05 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.55 1x24 n TYR 40 Cb 0.14 -0.23 0.03 0.00 -0.31 0.00 0.00 39.34 38.97 1x24 n TYR 40 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x24 n GLY 41 N -0.07 -0.03 3.74 2.72 0.00 0.01 -4.34 105.19 107.22 1x24 n GLY 41 Ca 0.08 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1x24 n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x24 s VAL 42 N -3.02 4.25 -0.37 1.61 -7.23 -0.46 -1.58 120.40 113.60 1x24 s VAL 42 Ca 0.25 2.06 0.03 0.00 -1.81 0.00 0.00 61.98 62.52 1x24 s VAL 42 Cb -0.11 -4.32 0.01 0.00 0.56 0.00 0.00 36.38 32.52 1x24 s VAL 42 CO 0.31 0.43 0.49 0.35 -0.31 0.00 0.00 175.10 176.37 1x24 n THR 43 N 1.99 0.00 -3.73 5.32 -2.24 -0.73 -4.74 114.28 110.16 1x24 n THR 43 Ca -0.01 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.16 1x24 n THR 43 Cb 0.48 1.05 -0.09 0.00 -2.10 0.00 0.00 70.33 69.68 1x24 n THR 43 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x24 s THR 44 N -0.55 0.03 -0.04 4.28 2.01 -1.26 -3.18 115.64 116.92 1x24 s THR 44 Ca 0.03 -0.27 -0.01 0.00 0.31 0.00 0.00 61.69 61.76 1x24 s THR 44 Cb 0.03 -0.64 0.03 0.00 0.01 0.00 0.00 72.50 71.93 1x24 s THR 44 CO 0.07 -0.15 0.02 -0.51 -0.69 0.00 0.00 174.62 173.36 1x24 s ILE 45 N -0.79 0.11 -0.22 1.82 2.07 -0.72 -0.84 121.20 122.63 1x24 s ILE 45 Ca -0.09 0.23 -0.06 0.00 -1.41 0.00 0.00 60.65 59.32 1x24 s ILE 45 Cb -0.04 -0.29 -0.03 0.00 0.13 0.00 0.00 42.46 42.24 1x24 s ILE 45 CO 0.04 0.19 0.04 -0.69 -1.91 0.00 0.00 174.94 172.60 1x24 s VAL 46 N 1.71 4.21 -0.42 4.00 1.01 0.11 0.35 120.40 131.38 1x24 s VAL 46 Ca -0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 1x24 s VAL 46 Cb -0.13 -2.93 0.04 0.00 0.00 0.00 0.00 36.38 33.36 1x24 s VAL 46 CO -0.03 0.39 0.30 -0.13 0.00 0.00 0.00 175.10 175.62 1x24 s ARG 47 N 1.20 2.89 0.00 2.72 0.52 0.91 -2.34 118.95 124.85 1x24 s ARG 47 Ca 0.04 -1.17 0.13 0.00 -0.52 0.00 0.00 55.73 54.20 1x24 s ARG 47 Cb -0.14 -3.93 0.37 0.00 0.52 0.00 0.00 34.95 31.76 1x24 s ARG 47 CO 0.02 -0.83 1.30 1.33 0.02 0.00 0.00 175.30 177.15 1x24 n VAL 48 N 5.10 0.49 -3.49 3.52 0.24 -1.05 -2.21 118.33 120.93 1x24 n VAL 48 Ca -0.11 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1x24 n VAL 48 Cb 0.45 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 1x24 n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x24 s GLU 50 N -0.48 3.27 -0.23 0.00 2.02 -1.26 -4.67 118.70 117.34 1x24 s GLU 50 Ca 0.00 1.89 -0.14 0.00 0.02 0.00 0.00 54.97 56.74 1x24 s GLU 50 Cb 0.00 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 1x24 s GLU 50 CO 0.00 -0.99 0.33 0.00 0.02 0.00 0.00 175.26 174.62 1x24 s ALA 51 N -1.53 3.57 -0.19 5.21 0.00 -1.26 -4.87 121.76 122.70 1x24 s ALA 51 Ca 0.72 -0.72 0.16 0.00 0.00 0.00 0.00 51.96 52.12 1x24 s ALA 51 Cb -0.32 -2.58 0.45 0.00 0.00 0.00 0.00 23.12 20.68 1x24 s ALA 51 CO 0.36 -0.39 1.18 0.25 0.00 0.00 0.00 175.76 177.16 1x24 n THR 52 N 4.58 1.55 -3.64 0.00 -2.24 -1.26 -5.05 114.28 108.22 1x24 n THR 52 Ca -0.10 -2.85 -0.05 0.00 -2.27 0.00 0.00 64.05 58.77 1x24 n THR 52 Cb 0.51 0.15 -0.07 0.00 -2.10 0.00 0.00 70.33 68.83 1x24 n THR 52 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1x24 s TYR 53 N -2.62 -0.75 -0.09 4.78 -0.85 -1.26 -4.77 117.35 111.78 1x24 s TYR 53 Ca 0.38 1.54 -0.32 0.00 -0.52 0.00 0.00 57.07 58.16 1x24 s TYR 53 Cb 0.38 0.45 -0.09 0.00 0.38 0.00 0.00 41.96 43.07 1x24 s TYR 53 CO -0.06 -0.37 2.01 -3.47 -1.52 0.00 0.00 175.55 172.14 1x24 n ASP 54 N 3.71 3.57 0.07 -0.18 2.03 -1.26 -4.87 116.55 119.62 1x24 n ASP 54 Ca -0.18 0.75 0.12 0.00 0.52 0.00 0.00 54.79 56.00 1x24 n ASP 54 Cb 0.58 -1.45 0.25 0.00 -0.72 0.00 0.00 41.12 39.78 1x24 n ASP 54 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1x24 n THR 55 N 5.98 0.43 -0.35 5.18 -2.24 -1.26 -4.10 114.28 117.92 1x24 n THR 55 Ca 0.25 -0.27 0.33 0.00 -2.27 0.00 0.00 64.05 62.08 1x24 n THR 55 Cb 0.36 -0.28 0.68 0.00 -2.10 0.00 0.00 70.33 68.99 1x24 n THR 55 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1x24 h THR 56 N 0.00 0.40 -0.05 4.28 1.35 -1.99 0.74 112.91 117.64 1x24 h THR 56 Ca 0.00 -0.04 -0.22 0.00 -0.55 0.00 0.00 66.41 65.60 1x24 h THR 56 Cb 0.74 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1x24 h THR 56 CO 0.00 0.02 -0.86 0.25 -0.25 0.00 0.00 175.52 174.69 1x24 h LEU 57 N 0.12 0.64 -0.12 3.87 5.85 -1.99 -2.86 115.31 120.82 1x24 h LEU 57 Ca 0.61 -0.46 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1x24 h LEU 57 Cb 2.14 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.98 1x24 h LEU 57 CO -0.13 1.24 -0.20 0.58 -0.34 0.00 0.00 178.44 179.60 1x24 h VAL 58 N 0.32 1.37 -0.55 1.05 2.07 0.10 -3.09 116.25 117.52 1x24 h VAL 58 Ca -0.06 -1.44 0.13 0.00 0.82 0.00 0.00 66.70 66.14 1x24 h VAL 58 Cb 1.47 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 33.24 1x24 h VAL 58 CO 0.16 0.42 0.38 -0.33 0.02 0.00 0.00 177.57 178.21 1x24 h GLU 59 N -0.06 0.18 0.00 1.57 4.39 -0.78 0.51 114.58 120.38 1x24 h GLU 59 Ca 0.01 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1x24 h GLU 59 Cb 0.77 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1x24 h GLU 59 CO 0.05 0.12 0.00 -0.22 -1.16 0.00 0.00 179.01 177.79 1x24 h LYS 60 N 0.18 0.00 -0.62 2.33 3.64 -1.41 -1.50 116.57 119.19 1x24 h LYS 60 Ca 0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1x24 h LYS 60 Cb 0.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1x24 h LYS 60 CO -0.04 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.53 1x24 n GLU 61 N -2.63 4.44 -1.04 1.90 -0.58 0.16 -4.91 120.64 117.98 1x24 n GLU 61 Ca 0.01 -2.95 -0.01 0.00 -0.42 0.00 0.00 57.16 53.78 1x24 n GLU 61 Cb 0.22 -2.14 -0.01 0.00 -0.57 0.00 0.00 31.44 28.94 1x24 n GLU 61 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x24 n GLY 62 N 0.75 0.47 3.22 0.62 0.00 -0.57 -4.98 105.19 104.71 1x24 n GLY 62 Ca 0.26 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1x24 n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x24 s ILE 63 N -1.83 5.05 0.34 -0.61 1.01 -1.19 -4.85 121.20 119.12 1x24 s ILE 63 Ca 0.00 -3.34 -0.29 0.00 0.00 0.00 0.00 60.65 57.02 1x24 s ILE 63 Cb 0.00 -4.11 -0.12 0.00 0.01 0.00 0.00 42.46 38.24 1x24 s ILE 63 CO 0.00 -1.08 1.40 1.57 0.00 0.00 0.00 174.94 176.83 1x24 n HIS 64 N 2.91 2.56 -4.35 3.97 -0.00 -1.19 -3.98 115.22 115.13 1x24 n HIS 64 Ca 0.19 0.47 -0.34 0.00 -0.00 0.00 0.00 57.72 58.04 1x24 n HIS 64 Cb 0.40 -2.48 -0.14 0.00 -0.00 0.00 0.00 29.99 27.77 1x24 n HIS 64 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1x24 s VAL 65 N -0.86 3.27 -0.09 3.57 1.01 -1.26 -1.76 120.40 124.29 1x24 s VAL 65 Ca 0.57 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 1x24 s VAL 65 Cb -0.54 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1x24 s VAL 65 CO 0.60 0.48 0.06 -0.76 0.00 0.00 0.00 175.10 175.47 1x24 s LEU 66 N 0.83 3.89 -0.62 3.92 1.43 0.16 -4.97 118.68 123.32 1x24 s LEU 66 Ca -0.03 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1x24 s LEU 66 Cb -0.15 -1.95 0.15 0.00 0.03 0.00 0.00 46.19 44.27 1x24 s LEU 66 CO 0.01 0.38 0.40 -1.81 0.23 0.00 0.00 176.35 175.56 1x24 s ASP 67 N -1.02 4.81 -0.84 2.29 1.01 -1.26 -0.06 116.67 121.59 1x24 s ASP 67 Ca 0.15 -3.18 0.01 0.00 0.71 0.00 0.00 52.55 50.24 1x24 s ASP 67 Cb -0.12 -1.73 0.24 0.00 1.01 0.00 0.00 42.92 42.33 1x24 s ASP 67 CO 0.04 -0.24 0.88 0.79 0.21 0.00 0.00 175.17 176.85 1x24 n TRP 68 N 2.95 3.60 -2.51 4.23 8.01 -0.94 -4.96 117.44 127.82 1x24 n TRP 68 Ca 0.10 -3.87 -0.36 0.00 -1.31 0.00 0.00 57.50 52.06 1x24 n TRP 68 Cb 0.35 -0.93 -0.03 0.00 -2.01 0.00 0.00 31.31 28.68 1x24 n TRP 68 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.69 174.54 1x24 s PRO 69 N -2.00 3.98 -0.15 -0.99 0.02 -1.23 -4.28 135.00 130.35 1x24 s PRO 69 Ca 0.32 1.49 -0.09 0.00 0.02 0.00 0.00 61.00 62.73 1x24 s PRO 69 Cb 0.02 -2.36 0.05 0.00 0.02 0.00 0.00 34.50 32.23 1x24 s PRO 69 CO -0.05 -0.30 0.38 -0.59 -0.33 0.00 0.00 177.00 176.11 1x24 s PHE 70 N -1.76 -0.52 0.10 6.54 -0.12 -1.12 -4.98 117.98 116.11 1x24 s PHE 70 Ca 0.62 1.16 -0.36 0.00 -0.05 0.00 0.00 56.93 58.29 1x24 s PHE 70 Cb -0.21 0.21 -0.17 0.00 -0.63 0.00 0.00 43.02 42.23 1x24 s PHE 70 CO 0.26 -0.30 1.32 -3.47 -0.05 0.00 0.00 175.22 172.98 1x24 n ASP 71 N 4.00 1.63 -4.74 1.98 4.64 -1.26 -4.89 116.55 117.90 1x24 n ASP 71 Ca -0.22 1.12 -0.37 0.00 -1.38 0.00 0.00 54.79 53.94 1x24 n ASP 71 Cb 0.55 -1.20 0.05 0.00 -1.04 0.00 0.00 41.12 39.48 1x24 n ASP 71 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1x24 s ASP 72 N 0.43 5.02 -1.69 1.67 -1.08 -1.26 -1.57 116.67 118.19 1x24 s ASP 72 Ca 0.83 2.65 0.00 0.00 -0.52 0.00 0.00 52.55 55.51 1x24 s ASP 72 Cb -0.94 -2.62 0.00 0.00 -1.46 0.00 0.00 42.92 37.90 1x24 s ASP 72 CO 0.47 -1.73 0.00 0.61 0.52 0.00 0.00 175.17 175.04 1x24 n GLY 73 N 0.76 1.56 2.73 2.66 0.00 -1.26 -4.94 105.19 106.71 1x24 n GLY 73 Ca 0.13 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 1x24 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x24 s ALA 74 N -2.47 0.28 0.18 4.61 0.00 -0.61 -4.96 121.76 118.79 1x24 s ALA 74 Ca 0.00 0.17 -0.33 0.00 0.00 0.00 0.00 51.96 51.80 1x24 s ALA 74 Cb 0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 23.12 22.47 1x24 s ALA 74 CO 0.00 -0.32 1.32 -2.30 0.00 0.00 0.00 175.76 174.46 1x24 n PRO 75 N 4.81 1.57 -0.39 0.00 -0.02 -1.26 -4.52 135.00 135.19 1x24 n PRO 75 Ca -0.14 0.56 -0.22 0.00 -2.02 0.00 0.00 63.50 61.69 1x24 n PRO 75 Cb 0.50 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.77 1x24 n PRO 75 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1x24 n PRO 76 N 2.15 0.48 0.00 0.52 -0.04 -1.26 -4.88 135.00 131.96 1x24 n PRO 76 Ca 0.15 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 1x24 n PRO 76 Cb 0.27 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1x24 n PRO 76 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x24 n SER 77 N 6.37 -0.06 0.00 3.54 3.41 -1.26 -3.62 113.62 122.00 1x24 n SER 77 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1x24 n SER 77 Cb 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1x24 n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1x24 n ASN 78 N -3.86 2.47 -0.02 4.04 3.02 -1.26 -4.54 115.26 115.10 1x24 n ASN 78 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 1x24 n ASN 78 Cb 0.00 0.33 0.02 0.00 -0.61 0.00 0.00 39.78 39.52 1x24 n ASN 78 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1x24 h GLN 79 N 0.00 0.65 -0.13 3.52 5.75 -2.00 -2.12 115.11 120.79 1x24 h GLN 79 Ca 0.00 -0.42 -0.06 0.00 -0.15 0.00 0.00 58.65 58.02 1x24 h GLN 79 Cb 0.34 0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.94 1x24 h GLN 79 CO 0.00 1.04 -0.16 0.82 -2.65 0.00 0.00 178.83 177.88 1x24 h ILE 80 N 0.49 1.36 -0.88 2.39 2.04 -1.85 -1.44 117.51 119.63 1x24 h ILE 80 Ca 0.01 -1.36 0.10 0.00 1.00 0.00 0.00 64.86 64.61 1x24 h ILE 80 Cb 1.13 1.96 -0.06 0.00 -0.74 0.00 0.00 36.82 39.11 1x24 h ILE 80 CO 0.11 0.40 0.57 0.58 0.00 0.00 0.00 178.15 179.81 1x24 h VAL 81 N -0.06 0.95 0.26 1.67 2.07 -1.61 0.16 116.25 119.68 1x24 h VAL 81 Ca 0.02 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1x24 h VAL 81 Cb 0.71 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1x24 h VAL 81 CO 0.04 0.15 -0.12 0.44 0.02 0.00 0.00 177.57 178.10 1x24 h ASP 82 N 0.84 -0.29 -0.25 0.57 3.32 -1.24 -1.58 116.42 117.78 1x24 h ASP 82 Ca 0.41 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.24 1x24 h ASP 82 Cb 0.45 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1x24 h ASP 82 CO -0.18 0.15 0.13 0.44 -1.72 0.00 0.00 179.24 178.06 1x24 h ASP 83 N -0.82 0.19 -0.04 6.45 3.32 -0.93 0.06 116.42 124.65 1x24 h ASP 83 Ca -0.04 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.04 1x24 h ASP 83 Cb 0.51 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1x24 h ASP 83 CO 0.06 0.14 -0.07 -0.25 -1.72 0.00 0.00 179.24 177.40 1x24 h TRP 84 N 0.27 -0.18 -0.98 4.55 2.91 -0.77 0.48 115.95 122.23 1x24 h TRP 84 Ca 0.10 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.17 1x24 h TRP 84 Cb 0.03 0.09 -0.06 0.00 -0.51 0.00 0.00 29.16 28.71 1x24 h TRP 84 CO -0.09 -0.12 0.64 1.25 -1.03 0.00 0.00 178.44 179.09 1x24 h LEU 85 N -0.11 1.07 -0.72 0.65 5.85 -1.09 -0.61 115.31 120.35 1x24 h LEU 85 Ca 0.05 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.62 1x24 h LEU 85 Cb 0.17 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1x24 h LEU 85 CO -0.11 0.73 -0.60 -1.28 -0.34 0.00 0.00 178.44 176.84 1x24 h SER 86 N 1.24 0.15 -0.37 1.25 0.87 -0.36 -1.82 113.55 114.51 1x24 h SER 86 Ca 0.39 -0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.79 1x24 h SER 86 Cb -0.00 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1x24 h SER 86 CO -0.12 0.72 -0.03 0.25 -0.53 0.00 0.00 176.83 177.11 1x24 h LEU 87 N 0.10 0.74 -0.30 2.23 5.85 0.13 -2.47 115.31 121.59 1x24 h LEU 87 Ca -0.01 -0.19 -0.13 0.00 0.84 0.00 0.00 57.88 58.40 1x24 h LEU 87 Cb 1.09 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 1x24 h LEU 87 CO 0.09 0.83 -0.31 0.58 -0.34 0.00 0.00 178.44 179.28 1x24 h VAL 88 N 0.71 1.30 -0.99 1.05 2.07 -0.89 -1.25 116.25 118.24 1x24 h VAL 88 Ca 0.14 -1.48 0.10 0.00 0.82 0.00 0.00 66.70 66.27 1x24 h VAL 88 Cb 0.48 1.55 -0.08 0.00 -1.52 0.00 0.00 31.29 31.73 1x24 h VAL 88 CO 0.02 0.48 0.63 0.50 0.02 0.00 0.00 177.57 179.23 1x24 h LYS 89 N 0.51 1.01 0.00 1.57 3.64 -1.02 -3.30 116.57 118.97 1x24 h LYS 89 Ca 0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1x24 h LYS 89 Cb 0.89 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1x24 h LYS 89 CO 0.08 0.67 0.00 -0.89 -2.27 0.00 0.00 179.45 177.04 1x24 n ILE 90 N -4.57 0.00 -0.21 2.00 2.08 -0.96 -4.29 119.36 113.42 1x24 n ILE 90 Ca 0.17 0.38 0.01 0.00 0.56 0.00 0.00 62.75 63.87 1x24 n ILE 90 Cb 0.29 -1.20 0.04 0.00 -0.75 0.00 0.00 39.64 38.03 1x24 n ILE 90 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1x24 n LYS 91 N -1.80 -0.10 0.17 0.38 4.76 -0.48 0.18 118.16 121.27 1x24 n LYS 91 Ca 0.00 0.86 0.02 0.00 -2.87 0.00 0.00 58.31 56.32 1x24 n LYS 91 Cb 0.00 -1.28 0.30 0.00 -1.84 0.00 0.00 35.03 32.21 1x24 n LYS 91 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1x24 h PHE 92 N 0.00 0.00 0.03 2.13 -1.00 -1.79 0.26 116.94 116.56 1x24 h PHE 92 Ca 0.22 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.93 1x24 h PHE 92 Cb 0.36 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.92 1x24 h PHE 92 CO -0.47 0.46 -0.27 0.00 -1.61 0.00 0.00 178.31 176.42 1x24 h ARG 93 N 0.00 0.14 -0.67 1.51 3.08 -0.45 -3.19 114.38 114.80 1x24 h ARG 93 Ca -0.00 -0.18 0.12 0.00 0.07 0.00 0.00 59.98 59.98 1x24 h ARG 93 Cb 0.87 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.89 1x24 h ARG 93 CO 0.06 1.00 0.23 1.49 -1.07 0.00 0.00 179.97 181.68 1x24 h GLU 94 N -0.64 0.37 -2.65 0.04 4.81 -0.18 -3.34 114.58 112.99 1x24 h GLU 94 Ca -0.04 -0.02 -0.60 0.00 -0.13 0.00 0.00 59.36 58.57 1x24 h GLU 94 Cb 1.12 -0.08 -0.39 0.00 0.63 0.00 0.00 28.75 30.02 1x24 h GLU 94 CO 0.05 0.25 -0.84 -1.21 -0.73 0.00 0.00 179.01 176.53 1x24 s GLU 95 N -6.07 1.18 0.08 1.92 2.02 0.90 -5.05 118.70 113.68 1x24 s GLU 95 Ca -0.13 -2.15 -0.36 0.00 0.02 0.00 0.00 54.97 52.36 1x24 s GLU 95 Cb 0.19 -1.92 -0.18 0.00 0.10 0.00 0.00 34.13 32.31 1x24 s GLU 95 CO 0.75 -1.29 0.99 -2.30 0.02 0.00 0.00 175.26 173.43 1x24 n PRO 96 N 3.07 0.27 -1.47 0.39 -0.02 -1.20 -2.34 135.00 133.70 1x24 n PRO 96 Ca 0.20 0.10 -0.14 0.00 -2.02 0.00 0.00 63.50 61.64 1x24 n PRO 96 Cb 0.41 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.33 1x24 n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x24 n GLY 97 N 1.77 1.36 3.97 -1.23 0.00 -1.26 -5.01 105.19 104.79 1x24 n GLY 97 Ca 0.19 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 1x24 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x24 s ILE 100 N -0.56 3.67 -0.06 0.00 1.01 -0.63 -1.76 121.20 122.86 1x24 s ILE 100 Ca 0.04 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 1x24 s ILE 100 Cb -0.06 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 1x24 s ILE 100 CO 0.00 0.48 0.11 0.00 0.00 0.00 0.00 174.94 175.53 1x24 s ALA 101 N 0.57 3.70 -0.02 9.38 0.00 -0.02 -0.68 121.76 134.69 1x24 s ALA 101 Ca -0.04 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1x24 s ALA 101 Cb -0.15 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.22 1x24 s ALA 101 CO 0.03 0.65 -0.04 0.08 0.00 0.00 0.00 175.76 176.48 1x24 s VAL 102 N -1.09 0.41 0.09 0.00 1.01 0.62 -0.72 120.40 120.72 1x24 s VAL 102 Ca 0.19 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.89 1x24 s VAL 102 Cb -0.12 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 35.88 1x24 s VAL 102 CO 0.09 0.16 0.36 -1.38 0.00 0.00 0.00 175.10 174.33 1x24 s HIS 103 N 0.45 -0.16 0.00 5.22 -3.43 -0.99 -2.41 115.29 113.97 1x24 s HIS 103 Ca -0.05 -0.08 0.00 0.00 -0.80 0.00 0.00 55.06 54.13 1x24 s HIS 103 Cb -0.09 0.18 0.00 0.00 -1.43 0.00 0.00 32.58 31.25 1x24 s HIS 103 CO -0.00 -0.62 0.00 0.00 -2.00 0.00 0.00 174.74 172.12 1x24 n VAL 105 N 0.00 0.00 1.16 0.00 3.14 -1.26 -4.52 118.33 116.85 1x24 n VAL 105 Ca 0.00 0.00 0.10 0.00 -2.96 0.00 0.00 64.34 61.48 1x24 n VAL 105 Cb 0.00 -0.03 0.58 0.00 -1.06 0.00 0.00 33.84 33.33 1x24 n VAL 105 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x24 n ALA 106 N -3.49 2.19 0.00 1.55 0.00 -1.26 -4.25 120.51 115.25 1x24 n ALA 106 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1x24 n ALA 106 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1x24 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x24 n GLY 107 N 0.37 2.13 5.03 0.00 0.00 -1.26 -4.91 105.19 106.54 1x24 n GLY 107 Ca 0.13 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1x24 n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x24 n LEU 108 N 0.00 0.00 0.00 0.99 7.99 -1.26 -4.84 117.00 119.88 1x24 n LEU 108 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1x24 n LEU 108 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1x24 n LEU 108 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 1x24 n GLY 109 N 0.00 0.47 0.00 -0.72 0.00 -1.26 -1.06 105.19 102.62 1x24 n GLY 109 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1x24 n GLY 109 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1x24 n ARG 110 N 0.00 0.25 -0.10 1.61 0.00 -1.26 -4.72 116.66 112.44 1x24 n ARG 110 Ca 0.00 -0.81 -0.13 0.00 -0.00 0.00 0.00 57.85 56.91 1x24 n ARG 110 Cb 0.00 -1.00 -0.08 0.00 -0.00 0.00 0.00 32.46 31.38 1x24 n ARG 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x24 h ALA 111 N 0.00 -0.69 -1.49 2.89 0.00 -1.44 0.34 119.26 118.87 1x24 h ALA 111 Ca 0.00 0.01 0.49 0.00 0.00 0.00 0.00 54.91 55.41 1x24 h ALA 111 Cb 0.16 1.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 1x24 h ALA 111 CO 0.00 -1.00 0.99 -2.30 0.00 0.00 0.00 179.25 176.94 1x24 n PRO 112 N -5.41 -0.03 -0.32 0.00 -0.02 -1.26 -0.48 135.00 127.48 1x24 n PRO 112 Ca -0.03 1.20 0.03 0.00 -2.02 0.00 0.00 63.50 62.67 1x24 n PRO 112 Cb 0.36 -2.44 0.17 0.00 -0.02 0.00 0.00 33.50 31.57 1x24 n PRO 112 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1x24 h VAL 113 N 0.00 0.98 -0.02 -1.45 2.07 -0.65 0.13 116.25 117.30 1x24 h VAL 113 Ca 0.88 -0.32 -0.23 0.00 0.82 0.00 0.00 66.70 67.85 1x24 h VAL 113 Cb 3.00 -0.04 0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1x24 h VAL 113 CO -0.36 0.17 -0.92 -0.07 0.02 0.00 0.00 177.57 176.40 1x24 h LEU 114 N 0.93 0.62 -0.73 2.57 3.38 -0.86 -2.64 115.31 118.58 1x24 h LEU 114 Ca 0.41 -0.48 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1x24 h LEU 114 Cb 0.29 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1x24 h LEU 114 CO -0.22 1.27 0.09 0.58 0.09 0.00 0.00 178.44 180.26 1x24 h VAL 115 N 0.29 1.26 -0.94 1.22 2.07 -1.49 -0.91 116.25 117.76 1x24 h VAL 115 Ca -0.08 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.45 1x24 h VAL 115 Cb 1.55 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 1x24 h VAL 115 CO 0.17 0.39 0.60 0.00 0.02 0.00 0.00 177.57 178.74 1x24 h ALA 116 N 1.10 1.27 -0.43 1.67 0.00 -0.70 -1.00 119.26 121.17 1x24 h ALA 116 Ca 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1x24 h ALA 116 Cb 0.45 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1x24 h ALA 116 CO 0.01 0.42 0.24 -0.07 0.00 0.00 0.00 179.25 179.85 1x24 h LEU 117 N 1.13 0.54 -1.03 0.00 4.07 -0.93 0.78 115.31 119.85 1x24 h LEU 117 Ca 0.39 -0.09 -0.02 0.00 0.08 0.00 0.00 57.88 58.25 1x24 h LEU 117 Cb 0.10 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 41.66 1x24 h LEU 117 CO -0.15 0.47 0.43 0.00 -1.08 0.00 0.00 178.44 178.11 1x24 h ALA 118 N 1.09 1.26 -0.10 1.53 0.00 -0.35 0.16 119.26 122.85 1x24 h ALA 118 Ca 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1x24 h ALA 118 Cb 0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1x24 h ALA 118 CO -0.02 0.60 0.01 -0.07 0.00 0.00 0.00 179.25 179.76 1x24 h LEU 119 N 1.11 0.16 0.06 0.00 3.38 -0.61 0.31 115.31 119.73 1x24 h LEU 119 Ca 0.28 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1x24 h LEU 119 Cb 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1x24 h LEU 119 CO -0.04 0.41 -0.03 0.40 0.09 0.00 0.00 178.44 179.26 1x24 h ILE 120 N -0.09 1.04 0.00 1.22 2.04 -0.56 -0.35 117.51 120.82 1x24 h ILE 120 Ca 0.03 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1x24 h ILE 120 Cb 0.32 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1x24 h ILE 120 CO 0.00 0.09 0.04 -0.08 0.00 0.00 0.00 178.15 178.20 1x24 h GLU 121 N -0.24 0.00 -0.48 2.37 4.57 -0.68 0.41 114.58 120.53 1x24 h GLU 121 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1x24 h GLU 121 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1x24 h GLU 121 CO 0.01 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.25 1x24 n GLY 122 N -1.11 1.00 0.96 1.92 0.00 0.10 -4.56 105.19 103.50 1x24 n GLY 122 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1x24 n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x24 n GLY 123 N 0.74 0.94 3.49 -0.02 0.00 0.14 -5.00 105.19 105.48 1x24 n GLY 123 Ca 0.11 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 1x24 n GLY 123 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x24 s MET 124 N -1.62 2.82 0.64 1.61 0.00 -0.99 -5.01 119.30 116.75 1x24 s MET 124 Ca 0.00 -0.64 -0.16 0.00 0.00 0.00 0.00 55.69 54.89 1x24 s MET 124 Cb 0.00 -2.52 -0.01 0.00 0.00 0.00 0.00 34.83 32.30 1x24 s MET 124 CO 0.00 0.53 1.13 0.15 0.00 0.00 0.00 175.02 176.83 1x24 s LYS 125 N -0.47 2.84 0.23 4.11 -0.14 -1.26 -4.10 119.74 120.95 1x24 s LYS 125 Ca 0.06 1.48 -0.06 0.00 -1.36 0.00 0.00 55.97 56.10 1x24 s LYS 125 Cb -0.12 -1.95 0.40 0.00 -1.68 0.00 0.00 37.83 34.48 1x24 s LYS 125 CO 0.02 -1.24 1.74 0.10 -0.76 0.00 0.00 175.35 175.22 1x24 h TYR 126 N 0.24 0.52 -0.49 3.18 -0.00 -1.95 0.03 116.97 118.50 1x24 h TYR 126 Ca -0.48 0.03 -0.02 0.00 -0.00 0.00 0.00 58.73 58.27 1x24 h TYR 126 Cb 1.26 -0.12 -0.02 0.00 -0.00 0.00 0.00 36.73 37.84 1x24 h TYR 126 CO 0.53 0.11 0.23 0.93 -0.00 0.00 0.00 178.16 179.96 1x24 h GLU 127 N 0.48 0.72 -0.68 0.10 3.07 -1.94 0.16 114.58 116.49 1x24 h GLU 127 Ca 0.38 -0.11 0.11 0.00 -0.50 0.00 0.00 59.36 59.24 1x24 h GLU 127 Cb 0.52 -0.13 -0.08 0.00 -0.84 0.00 0.00 28.75 28.22 1x24 h GLU 127 CO -0.35 0.61 0.26 -0.44 -1.40 0.00 0.00 179.01 177.69 1x24 h ASP 128 N 0.65 0.25 0.09 1.42 5.19 -1.56 0.15 116.42 122.61 1x24 h ASP 128 Ca 0.17 0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.66 1x24 h ASP 128 Cb 0.14 0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.72 1x24 h ASP 128 CO -0.02 0.13 -0.04 0.00 -3.12 0.00 0.00 179.24 176.19 1x24 h ALA 129 N 1.48 -0.12 -0.49 3.45 0.00 -0.14 -0.76 119.26 122.68 1x24 h ALA 129 Ca 0.35 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1x24 h ALA 129 Cb 0.48 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1x24 h ALA 129 CO -0.35 -0.42 0.16 0.28 0.00 0.00 0.00 179.25 178.92 1x24 h VAL 130 N -0.42 0.81 -0.19 0.00 2.07 -0.17 -1.06 116.25 117.29 1x24 h VAL 130 Ca -0.01 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1x24 h VAL 130 Cb 0.35 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1x24 h VAL 130 CO 0.02 0.06 0.08 1.56 0.02 0.00 0.00 177.57 179.31 1x24 h GLN 131 N 0.32 0.29 -0.81 1.57 1.08 -0.69 -0.36 115.11 116.52 1x24 h GLN 131 Ca 0.24 -0.05 0.15 0.00 -1.45 0.00 0.00 58.65 57.54 1x24 h GLN 131 Cb 0.26 -0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.59 1x24 h GLN 131 CO -0.26 0.36 0.53 0.35 -0.95 0.00 0.00 178.83 178.86 1x24 h PHE 132 N 0.16 0.58 0.22 2.96 3.57 -0.62 -1.04 116.94 122.77 1x24 h PHE 132 Ca 0.07 0.02 -0.34 0.00 3.53 0.00 0.00 57.97 61.24 1x24 h PHE 132 Cb 0.17 -0.18 0.02 0.00 2.79 0.00 0.00 35.95 38.75 1x24 h PHE 132 CO -0.01 0.22 -1.57 0.82 -2.23 0.00 0.00 178.31 175.54 1x24 h ILE 133 N 0.49 1.17 0.00 1.41 2.04 -0.80 -3.25 117.51 118.57 1x24 h ILE 133 Ca 0.40 -2.67 -0.01 0.00 1.00 0.00 0.00 64.86 63.58 1x24 h ILE 133 Cb 0.84 2.93 -0.00 0.00 -0.74 0.00 0.00 36.82 39.84 1x24 h ILE 133 CO -0.15 0.83 -0.06 0.03 0.00 0.00 0.00 178.15 178.81 1x24 h ARG 134 N 0.13 0.00 -0.80 2.37 3.08 -0.33 0.11 114.38 118.93 1x24 h ARG 134 Ca -0.28 0.00 0.12 0.00 0.07 0.00 0.00 59.98 59.89 1x24 h ARG 134 Cb 2.13 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 32.12 1x24 h ARG 134 CO 0.23 0.06 0.53 0.37 -1.07 0.00 0.00 179.97 180.08 1x24 h GLN 135 N 0.00 0.62 0.00 0.04 -0.00 -1.25 0.54 115.11 115.06 1x24 h GLN 135 Ca -0.00 -0.04 -0.11 0.00 -0.00 0.00 0.00 58.65 58.50 1x24 h GLN 135 Cb 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.52 1x24 h GLN 135 CO 0.01 0.41 -2.00 1.63 0.00 0.00 0.00 178.83 178.88 1x24 n LYS 136 N -4.51 0.76 -0.04 1.69 4.01 0.19 -4.71 118.16 115.54 1x24 n LYS 136 Ca 0.14 -0.12 -0.05 0.00 -0.51 0.00 0.00 58.31 57.78 1x24 n LYS 136 Cb 0.41 -1.46 -0.05 0.00 -0.51 0.00 0.00 35.03 33.42 1x24 n LYS 136 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1x24 n ARG 137 N -2.34 1.96 0.00 1.97 3.00 -0.07 -4.87 116.66 116.31 1x24 n ARG 137 Ca -0.12 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.74 1x24 n ARG 137 Cb 0.70 -1.19 0.00 0.00 0.00 0.00 0.00 32.46 31.97 1x24 n ARG 137 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1x24 n ARG 138 N -2.44 0.00 -0.11 -0.14 -4.01 0.19 -4.14 116.66 106.00 1x24 n ARG 138 Ca -0.14 0.00 0.12 0.00 -1.04 0.00 0.00 57.85 56.79 1x24 n ARG 138 Cb 0.72 -0.31 0.17 0.00 -3.04 0.00 0.00 32.46 30.00 1x24 n ARG 138 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1x24 n GLY 139 N 0.00 1.43 3.76 2.89 0.00 -1.26 -4.96 105.19 107.04 1x24 n GLY 139 Ca 0.00 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 1x24 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x24 s ALA 140 N -1.65 2.62 0.22 4.61 0.00 -1.26 -4.79 121.76 121.51 1x24 s ALA 140 Ca 0.34 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1x24 s ALA 140 Cb 0.21 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1x24 s ALA 140 CO 0.30 -1.10 0.00 1.19 0.00 0.00 0.00 175.76 176.15 1x24 n PHE 141 N -1.41 -2.73 -4.14 0.00 3.72 -1.26 -4.95 117.46 106.69 1x24 n PHE 141 Ca 0.13 1.42 -0.27 0.00 -0.05 0.00 0.00 57.45 58.67 1x24 n PHE 141 Cb 0.49 -2.74 -0.04 0.00 -0.94 0.00 0.00 39.48 36.26 1x24 n PHE 141 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1x24 s ASN 142 N -1.60 4.48 0.21 4.37 2.20 -1.26 -4.94 114.94 118.39 1x24 s ASN 142 Ca 0.00 -1.30 -0.09 0.00 -0.94 0.00 0.00 52.86 50.52 1x24 s ASN 142 Cb 0.00 0.25 0.22 0.00 -2.00 0.00 0.00 41.25 39.72 1x24 s ASN 142 CO 0.00 -0.93 1.83 0.28 -2.94 0.00 0.00 177.10 175.34 1x24 h SER 143 N 1.03 0.64 0.18 3.54 0.02 -1.99 -0.36 113.55 116.61 1x24 h SER 143 Ca -0.40 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.56 1x24 h SER 143 Cb 1.30 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1x24 h SER 143 CO 0.64 0.43 -0.09 0.50 -1.14 0.00 0.00 176.83 177.17 1x24 h LYS 144 N 0.78 -0.23 -0.56 3.45 3.11 -1.97 -2.69 116.57 118.44 1x24 h LYS 144 Ca 0.29 0.02 0.05 0.00 -2.81 0.00 0.00 60.65 58.20 1x24 h LYS 144 Cb 0.11 0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 31.35 1x24 h LYS 144 CO -0.15 -0.09 0.30 1.96 -2.81 0.00 0.00 179.45 178.66 1x24 h GLN 145 N -0.32 0.56 -0.79 1.90 4.20 -1.86 -2.08 115.11 116.71 1x24 h GLN 145 Ca -0.02 -0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.75 1x24 h GLN 145 Cb 0.25 -0.13 -0.08 0.00 0.30 0.00 0.00 27.48 27.83 1x24 h GLN 145 CO 0.04 0.37 0.43 -0.07 -0.67 0.00 0.00 178.83 178.93 1x24 h LEU 146 N 0.57 0.59 -0.48 1.46 3.38 -0.97 -0.10 115.31 119.76 1x24 h LEU 146 Ca 0.25 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.33 1x24 h LEU 146 Cb 0.14 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1x24 h LEU 146 CO -0.16 0.32 0.20 -0.07 0.09 0.00 0.00 178.44 178.83 1x24 h LEU 147 N 0.71 0.26 0.07 1.67 -0.00 -1.05 -0.51 115.31 116.46 1x24 h LEU 147 Ca 0.39 0.04 0.01 0.00 -0.00 0.00 0.00 57.88 58.32 1x24 h LEU 147 Cb 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.05 1x24 h LEU 147 CO -0.27 0.18 -0.28 0.22 -0.00 0.00 0.00 178.44 178.29 1x24 h TYR 148 N 0.41 -0.80 -1.04 1.13 -0.00 -0.69 -1.59 116.97 114.39 1x24 h TYR 148 Ca 0.22 0.02 0.27 0.00 -0.00 0.00 0.00 58.73 59.24 1x24 h TYR 148 Cb 0.18 0.34 -0.08 0.00 -0.00 0.00 0.00 36.73 37.18 1x24 h TYR 148 CO -0.13 -0.31 0.69 -0.07 -0.00 0.00 0.00 178.16 178.33 1x24 h LEU 149 N -0.40 0.33 -0.66 2.82 3.38 -1.11 -0.92 115.31 118.75 1x24 h LEU 149 Ca -0.00 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1x24 h LEU 149 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1x24 h LEU 149 CO -0.15 0.07 -0.06 -0.08 0.09 0.00 0.00 178.44 178.32 1x24 h GLU 150 N 0.29 0.99 -0.01 1.13 4.81 -0.12 -3.00 114.58 118.68 1x24 h GLU 150 Ca 0.56 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1x24 h GLU 150 Cb 1.62 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.91 1x24 h GLU 150 CO -0.21 1.01 -0.28 1.63 -0.73 0.00 0.00 179.01 180.43 1x24 n LYS 151 N -4.16 0.78 -1.93 1.92 4.76 -0.45 -4.90 118.16 114.17 1x24 n LYS 151 Ca 0.02 -0.46 -0.42 0.00 -2.87 0.00 0.00 58.31 54.58 1x24 n LYS 151 Cb 0.37 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.04 1x24 n LYS 151 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1x24 s TYR 152 N -2.54 3.05 -0.32 2.13 5.04 -0.60 -4.99 117.35 119.13 1x24 s TYR 152 Ca 0.23 0.65 -0.03 0.00 -2.44 0.00 0.00 57.07 55.49 1x24 s TYR 152 Cb 0.19 -3.93 0.06 0.00 0.35 0.00 0.00 41.96 38.63 1x24 s TYR 152 CO 0.53 -3.39 0.05 1.03 -1.34 0.00 0.00 175.55 172.43 1x24 s ARG 153 N 1.01 2.38 0.48 4.97 0.52 -1.26 -5.03 118.95 122.01 1x24 s ARG 153 Ca 0.69 -1.34 -0.23 0.00 -0.52 0.00 0.00 55.73 54.33 1x24 s ARG 153 Cb -0.44 -3.28 -0.07 0.00 0.52 0.00 0.00 34.95 31.68 1x24 s ARG 153 CO 0.32 -0.70 1.24 -1.25 0.02 0.00 0.00 175.30 174.94 1x24 s PRO 154 N 1.25 3.61 0.24 3.54 0.04 -1.26 -4.94 135.00 137.49 1x24 s PRO 154 Ca -0.03 1.96 0.05 0.00 0.04 0.00 0.00 61.00 63.02 1x24 s PRO 154 Cb -0.20 -2.41 0.27 0.00 0.04 0.00 0.00 34.50 32.19 1x24 s PRO 154 CO -0.01 -0.73 1.57 0.87 0.04 0.00 0.00 177.00 178.74 1x24 h LYS 155 N 1.97 0.23 -5.70 4.56 1.57 -1.97 -3.48 116.57 113.75 1x24 h LYS 155 Ca -0.50 -0.16 -0.33 0.00 -1.87 0.00 0.00 60.65 57.80 1x24 h LYS 155 Cb 1.26 0.02 0.15 0.00 0.08 0.00 0.00 32.23 33.75 1x24 h LYS 155 CO 0.60 0.76 -0.82 -1.33 -0.57 0.00 0.00 179.45 178.08 1x24 n MET 156 N -3.88 -4.56 -0.77 3.15 2.81 -1.26 -4.94 117.12 107.66 1x24 n MET 156 Ca -0.02 0.79 0.05 0.00 -1.81 0.00 0.00 57.70 56.71 1x24 n MET 156 Cb 0.61 -5.62 0.18 0.00 -0.71 0.00 0.00 33.22 27.68 1x24 n MET 156 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1x24 n ARG 157 N -3.87 1.37 -3.81 0.03 5.12 -1.26 -4.98 116.66 109.25 1x24 n ARG 157 Ca -0.21 -3.11 -0.36 0.00 -1.93 0.00 0.00 57.85 52.23 1x24 n ARG 157 Cb 0.65 -1.37 -0.13 0.00 -1.16 0.00 0.00 32.46 30.45 1x24 n ARG 157 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1x24 s LEU 158 N -2.73 3.55 0.32 0.55 1.02 -1.26 -5.10 118.68 115.03 1x24 s LEU 158 Ca 0.38 -0.59 -0.12 0.00 0.02 0.00 0.00 54.13 53.82 1x24 s LEU 158 Cb 0.37 -1.84 -0.08 0.00 0.02 0.00 0.00 46.19 44.67 1x24 s LEU 158 CO -0.08 -0.13 0.69 -0.13 0.02 0.00 0.00 176.35 176.71 1x24 s ARG 159 N 1.50 3.87 0.00 1.70 0.52 -1.26 -5.00 118.95 120.28 1x24 s ARG 159 Ca 0.03 0.47 0.00 0.00 -0.52 0.00 0.00 55.73 55.72 1x24 s ARG 159 Cb -0.16 -2.49 0.00 0.00 0.52 0.00 0.00 34.95 32.82 1x24 s ARG 159 CO 0.01 0.15 0.12 1.19 0.02 0.00 0.00 175.30 176.78