#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qsm s ILE 9 N 0.00 1.70 0.04 2.41 1.01 -1.26 -1.06 121.20 124.05 1qsm s ILE 9 Ca 0.00 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.87 1qsm s ILE 9 Cb 0.00 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 1qsm s ILE 9 CO 0.00 0.48 -0.17 0.42 0.00 0.00 0.00 174.94 175.67 1qsm s THR 10 N 0.20 1.40 0.07 2.92 -4.23 -0.34 -4.94 115.64 110.72 1qsm s THR 10 Ca -0.10 -1.12 0.05 0.00 -1.18 0.00 0.00 61.69 59.34 1qsm s THR 10 Cb -0.15 -1.24 -0.04 0.00 1.34 0.00 0.00 72.50 72.41 1qsm s THR 10 CO 0.05 0.09 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.49 1qsm s VAL 11 N -0.84 3.78 -0.09 2.29 1.01 -1.26 0.12 120.40 125.41 1qsm s VAL 11 Ca 0.05 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 1qsm s VAL 11 Cb -0.08 -2.76 0.11 0.00 0.00 0.00 0.00 36.38 33.65 1qsm s VAL 11 CO 0.02 0.19 0.91 0.00 0.00 0.00 0.00 175.10 176.21 1qsm s ARG 12 N -2.06 0.74 0.53 2.72 1.70 -0.81 -4.95 118.95 116.81 1qsm s ARG 12 Ca 0.23 0.02 -0.22 0.00 -0.47 0.00 0.00 55.73 55.29 1qsm s ARG 12 Cb -0.11 0.35 -0.06 0.00 -0.57 0.00 0.00 34.95 34.55 1qsm s ARG 12 CO 0.14 -0.26 1.29 1.19 -1.08 0.00 0.00 175.30 176.59 1qsm n PHE 13 N 0.46 2.09 -2.21 5.89 3.01 -1.26 -0.56 117.46 124.87 1qsm n PHE 13 Ca -0.11 0.44 -0.34 0.00 1.01 0.00 0.00 57.45 58.45 1qsm n PHE 13 Cb 0.59 -2.34 0.00 0.00 -0.01 0.00 0.00 39.48 37.72 1qsm n PHE 13 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1qsm s VAL 14 N -1.30 3.48 0.43 -4.37 -7.23 -0.55 -4.78 120.40 106.08 1qsm s VAL 14 Ca 0.70 0.83 0.03 0.00 -1.81 0.00 0.00 61.98 61.74 1qsm s VAL 14 Cb -0.43 -3.32 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 1qsm s VAL 14 CO 0.51 -0.28 0.07 0.42 -0.31 0.00 0.00 175.10 175.50 1qsm s THR 15 N -2.06 0.99 0.51 5.32 -4.23 -1.26 -4.92 115.64 110.00 1qsm s THR 15 Ca 0.68 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.40 1qsm s THR 15 Cb -0.20 -2.40 0.35 0.00 1.34 0.00 0.00 72.50 71.59 1qsm s THR 15 CO 0.29 0.00 2.04 -0.33 -0.54 0.00 0.00 174.62 176.08 1qsm h GLU 16 N 1.68 0.07 0.00 3.99 5.08 -1.99 -0.93 114.58 122.48 1qsm h GLU 16 Ca -0.40 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1qsm h GLU 16 Cb 1.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1qsm h GLU 16 CO 0.67 0.04 0.00 0.09 -1.00 0.00 0.00 179.01 178.81 1qsm n ASN 17 N -4.44 0.00 -0.87 1.42 3.02 -1.26 -3.11 115.26 110.03 1qsm n ASN 17 Ca 0.06 -0.08 0.12 0.00 -0.03 0.00 0.00 54.58 54.65 1qsm n ASN 17 Cb 0.43 -0.31 0.22 0.00 -0.61 0.00 0.00 39.78 39.51 1qsm n ASN 17 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1qsm n ASP 18 N -1.31 2.68 0.08 6.41 10.43 -0.35 -4.58 116.55 129.92 1qsm n ASP 18 Ca 0.14 -1.88 -0.16 0.00 2.57 0.00 0.00 54.79 55.45 1qsm n ASP 18 Cb 0.25 -0.04 -0.10 0.00 1.84 0.00 0.00 41.12 43.07 1qsm n ASP 18 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 1qsm h LYS 19 N 4.07 -0.68 -0.68 -1.24 1.63 -1.63 0.11 116.57 118.15 1qsm h LYS 19 Ca 0.00 0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.81 1qsm h LYS 19 Cb 0.87 0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 32.62 1qsm h LYS 19 CO 0.00 -0.45 0.29 1.49 -3.45 0.00 0.00 179.45 177.33 1qsm h GLU 20 N -0.71 0.99 0.00 1.90 4.81 -1.86 0.33 114.58 120.04 1qsm h GLU 20 Ca 0.01 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.01 1qsm h GLU 20 Cb 0.74 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1qsm h GLU 20 CO -0.34 0.79 -0.33 0.78 -0.73 0.00 0.00 179.01 179.19 1qsm h GLY 21 N 1.05 0.00 0.88 1.92 0.00 -1.76 -2.61 103.07 102.55 1qsm h GLY 21 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.28 1qsm h GLY 21 CO -0.02 0.00 -1.33 -0.25 0.00 0.00 0.00 176.54 174.93 1qsm h TRP 22 N 0.00 0.70 -0.06 5.60 7.01 -0.14 -3.26 115.95 125.80 1qsm h TRP 22 Ca -0.00 -0.51 -0.02 0.00 2.11 0.00 0.00 58.89 60.47 1qsm h TRP 22 Cb 0.77 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.80 1qsm h TRP 22 CO 0.00 1.51 -0.05 1.96 -2.79 0.00 0.00 178.44 179.07 1qsm h GLN 23 N -0.11 0.08 0.83 2.65 4.20 -0.92 0.07 115.11 121.91 1qsm h GLN 23 Ca -0.25 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.41 1qsm h GLN 23 Cb 1.92 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 29.69 1qsm h GLN 23 CO 0.18 0.14 -0.40 -0.09 -0.67 0.00 0.00 178.83 177.99 1qsm h ARG 24 N 0.08 -1.07 0.00 1.46 2.43 -1.55 -1.06 114.38 114.67 1qsm h ARG 24 Ca 0.02 0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1qsm h ARG 24 Cb 0.15 0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1qsm h ARG 24 CO 0.01 -0.71 -0.14 -0.07 -1.51 0.00 0.00 179.97 177.55 1qsm h LEU 25 N -1.18 0.00 0.12 3.80 3.38 -1.54 -1.73 115.31 118.16 1qsm h LEU 25 Ca -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1qsm h LEU 25 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1qsm h LEU 25 CO 0.19 0.14 -0.06 -0.25 0.09 0.00 0.00 178.44 178.55 1qsm h TRP 26 N 0.00 -0.15 -0.62 1.13 -0.00 -0.72 0.49 115.95 116.08 1qsm h TRP 26 Ca -0.00 -0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.84 1qsm h TRP 26 Cb 0.26 0.05 -0.03 0.00 -0.00 0.00 0.00 29.16 29.44 1qsm h TRP 26 CO 0.00 -0.04 0.21 0.87 -0.00 0.00 0.00 178.44 179.48 1qsm h LYS 27 N -0.22 0.94 -0.24 2.65 1.57 -0.63 -0.58 116.57 120.05 1qsm h LYS 27 Ca -0.02 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.49 1qsm h LYS 27 Cb 0.18 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1qsm h LYS 27 CO 0.03 0.80 -0.28 0.77 -0.57 0.00 0.00 179.45 180.19 1qsm h SER 28 N 0.91 0.47 -0.11 0.86 0.02 -1.14 -0.79 113.55 113.78 1qsm h SER 28 Ca 0.21 -0.17 -0.12 0.00 -0.84 0.00 0.00 61.79 60.87 1qsm h SER 28 Cb 0.25 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1qsm h SER 28 CO -0.01 0.74 -0.31 0.22 -1.14 0.00 0.00 176.83 176.33 1qsm h TYR 29 N 0.41 0.68 -0.43 3.45 3.20 -0.20 -1.59 116.97 122.49 1qsm h TYR 29 Ca 0.06 -0.17 -0.14 0.00 3.14 0.00 0.00 58.73 61.61 1qsm h TYR 29 Cb 0.71 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1qsm h TYR 29 CO 0.02 0.83 -0.30 1.96 -1.64 0.00 0.00 178.16 179.04 1qsm h GLN 30 N 0.50 0.94 -0.45 1.82 4.20 -0.55 -2.54 115.11 119.03 1qsm h GLN 30 Ca 0.06 -0.44 -0.03 0.00 0.06 0.00 0.00 58.65 58.30 1qsm h GLN 30 Cb 0.79 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 1qsm h GLN 30 CO 0.06 1.10 0.17 -0.44 -0.67 0.00 0.00 178.83 179.05 1qsm h ASP 31 N 0.79 0.64 -0.44 1.46 3.32 -0.95 -0.70 116.42 120.54 1qsm h ASP 31 Ca 0.09 -0.18 0.07 0.00 0.02 0.00 0.00 57.03 57.02 1qsm h ASP 31 Cb 0.88 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 40.20 1qsm h ASP 31 CO 0.08 0.65 0.11 0.15 -1.72 0.00 0.00 179.24 178.51 1qsm h PHE 32 N 0.59 0.18 -0.00 4.55 3.57 -1.16 -0.53 116.94 124.14 1qsm h PHE 32 Ca 0.15 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1qsm h PHE 32 Cb 0.22 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1qsm h PHE 32 CO 0.01 0.03 -0.01 0.66 -2.23 0.00 0.00 178.31 176.77 1qsm n TYR 33 N -5.08 0.00 -3.20 0.41 4.02 -0.97 -4.91 117.16 107.43 1qsm n TYR 33 Ca 0.04 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.71 1qsm n TYR 33 Cb 0.20 -0.14 0.05 0.00 -0.02 0.00 0.00 39.34 39.43 1qsm n TYR 33 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1qsm n GLU 34 N -1.09 -5.78 -4.62 -0.72 1.02 -0.21 -5.02 120.64 104.21 1qsm n GLU 34 Ca 0.19 0.81 -0.28 0.00 -0.02 0.00 0.00 57.16 57.86 1qsm n GLU 34 Cb 0.19 -5.59 -0.09 0.00 -0.02 0.00 0.00 31.44 25.92 1qsm n GLU 34 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1qsm s VAL 35 N -3.21 1.42 -0.14 2.62 -7.23 -0.39 -5.02 120.40 108.45 1qsm s VAL 35 Ca 0.40 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.53 1qsm s VAL 35 Cb -0.17 -2.61 0.07 0.00 0.56 0.00 0.00 36.38 34.22 1qsm s VAL 35 CO 0.49 0.00 0.18 -0.55 -0.31 0.00 0.00 175.10 174.90 1qsm s SER 36 N -3.71 1.20 0.07 4.85 0.15 -1.26 -4.38 113.70 110.61 1qsm s SER 36 Ca 0.24 0.00 0.01 0.00 0.70 0.00 0.00 55.95 56.91 1qsm s SER 36 Cb 0.06 0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.58 1qsm s SER 36 CO 0.12 -0.29 0.18 -0.36 1.20 0.00 0.00 173.24 174.09 1qsm s PHE 37 N 2.29 3.42 0.69 3.44 0.08 -1.26 -5.10 117.98 121.54 1qsm s PHE 37 Ca 0.04 0.19 -0.15 0.00 0.12 0.00 0.00 56.93 57.14 1qsm s PHE 37 Cb -0.14 -1.71 0.02 0.00 -0.57 0.00 0.00 43.02 40.62 1qsm s PHE 37 CO -0.09 0.57 1.14 -1.25 -0.10 0.00 0.00 175.22 175.49 1qsm s PRO 38 N -2.52 2.53 0.35 0.24 0.04 -1.26 -4.90 135.00 129.48 1qsm s PRO 38 Ca 0.33 1.49 0.26 0.00 0.04 0.00 0.00 61.00 63.12 1qsm s PRO 38 Cb -0.13 -1.91 1.22 0.00 0.04 0.00 0.00 34.50 33.72 1qsm s PRO 38 CO 0.26 -1.48 1.79 0.22 0.04 0.00 0.00 177.00 177.83 1qsm h ASP 39 N -0.17 0.00 0.41 6.66 3.58 -2.02 -2.41 116.42 122.47 1qsm h ASP 39 Ca -0.47 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 56.85 1qsm h ASP 39 Cb 1.26 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 1qsm h ASP 39 CO 0.52 0.00 -0.56 0.44 -2.88 0.00 0.00 179.24 176.76 1qsm h ASP 40 N 0.00 0.18 0.50 2.28 3.45 -2.00 -2.86 116.42 117.96 1qsm h ASP 40 Ca 0.00 -0.09 -0.06 0.00 0.43 0.00 0.00 57.03 57.30 1qsm h ASP 40 Cb 0.24 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.95 1qsm h ASP 40 CO 0.00 0.70 -0.30 0.25 -1.57 0.00 0.00 179.24 178.32 1qsm h LEU 41 N 0.12 0.00 -0.49 1.55 5.85 -1.80 0.86 115.31 121.40 1qsm h LEU 41 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1qsm h LEU 41 Cb 1.03 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1qsm h LEU 41 CO 0.08 0.30 0.14 0.44 -0.34 0.00 0.00 178.44 179.06 1qsm h ASP 42 N 0.00 0.72 0.36 1.25 5.19 -1.61 -0.14 116.42 122.20 1qsm h ASP 42 Ca -0.00 -0.22 -0.24 0.00 -0.62 0.00 0.00 57.03 55.94 1qsm h ASP 42 Cb 0.63 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 39.96 1qsm h ASP 42 CO 0.04 0.75 -1.04 0.44 -3.12 0.00 0.00 179.24 176.31 1qsm h ASP 43 N 0.66 0.56 0.49 6.45 3.32 -1.45 -2.45 116.42 124.00 1qsm h ASP 43 Ca 0.15 -0.48 -0.02 0.00 0.02 0.00 0.00 57.03 56.70 1qsm h ASP 43 Cb 0.30 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1qsm h ASP 43 CO -0.00 1.30 -0.24 0.15 -1.72 0.00 0.00 179.24 178.73 1qsm h PHE 44 N 0.21 -0.61 -0.47 4.55 3.57 -0.71 0.97 116.94 124.44 1qsm h PHE 44 Ca -0.10 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.42 1qsm h PHE 44 Cb 1.70 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 40.60 1qsm h PHE 44 CO 0.07 -0.31 0.23 -0.91 -2.23 0.00 0.00 178.31 175.15 1qsm h ASN 45 N -0.81 0.33 0.09 0.41 2.35 -1.12 -1.04 115.58 115.79 1qsm h ASN 45 Ca -0.07 0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 1qsm h ASN 45 Cb 0.57 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1qsm h ASN 45 CO 0.11 0.23 -0.23 0.15 -1.65 0.00 0.00 177.43 176.04 1qsm h PHE 46 N 0.46 0.27 -0.32 1.19 3.57 -1.39 -1.40 116.94 119.32 1qsm h PHE 46 Ca 0.21 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1qsm h PHE 46 Cb 0.12 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1qsm h PHE 46 CO -0.11 0.47 0.08 0.78 -2.23 0.00 0.00 178.31 177.31 1qsm h GLY 47 N 0.94 0.55 1.98 2.40 0.00 0.07 -2.56 103.07 106.45 1qsm h GLY 47 Ca 0.04 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 1qsm h GLY 47 CO 0.04 0.32 -0.24 3.21 0.00 0.00 0.00 176.54 179.87 1qsm h ARG 48 N 0.36 0.02 -0.08 4.80 3.08 -0.69 -0.71 114.38 121.16 1qsm h ARG 48 Ca 0.10 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1qsm h ARG 48 Cb 0.29 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1qsm h ARG 48 CO 0.00 0.26 -0.01 0.74 -1.07 0.00 0.00 179.97 179.89 1qsm h PHE 49 N 0.02 0.15 -0.08 3.04 0.04 -1.00 -3.21 116.94 115.90 1qsm h PHE 49 Ca 0.00 -0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.61 1qsm h PHE 49 Cb 0.44 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 1qsm h PHE 49 CO 0.00 0.42 -0.53 -0.07 -0.60 0.00 0.00 178.31 177.53 1qsm h LEU 50 N -0.16 0.26 -9.05 1.54 3.38 -1.15 -3.43 115.31 106.70 1qsm h LEU 50 Ca 0.02 -0.13 -0.56 0.00 0.09 0.00 0.00 57.88 57.29 1qsm h LEU 50 Cb 0.37 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1qsm h LEU 50 CO 0.01 0.75 1.18 -0.62 0.09 0.00 0.00 178.44 179.85 1qsm s ASP 51 N -6.89 6.26 0.50 -0.43 3.68 -0.30 -4.88 116.67 114.61 1qsm s ASP 51 Ca -0.04 1.74 0.24 0.00 2.13 0.00 0.00 52.55 56.62 1qsm s ASP 51 Cb 0.12 -2.53 1.32 0.00 -1.45 0.00 0.00 42.92 40.39 1qsm s ASP 51 CO 0.79 -1.34 2.04 1.55 0.13 0.00 0.00 175.17 178.34 1qsm h PRO 52 N 11.28 0.00 -0.07 4.34 0.13 -1.85 -2.87 132.00 142.96 1qsm h PRO 52 Ca -0.36 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.64 1qsm h PRO 52 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1qsm h PRO 52 CO 0.99 0.15 -0.53 -0.91 -0.23 0.00 0.00 178.00 177.47 1qsm h ASN 53 N 0.00 0.21 -3.37 1.44 2.35 -1.92 -3.42 115.58 110.87 1qsm h ASN 53 Ca -0.00 -0.11 -0.58 0.00 -0.55 0.00 0.00 56.30 55.06 1qsm h ASN 53 Cb 0.37 -0.06 -0.08 0.00 0.05 0.00 0.00 38.32 38.60 1qsm h ASN 53 CO 0.02 0.70 0.16 -0.63 -1.65 0.00 0.00 177.43 176.03 1qsm s ILE 54 N -3.89 5.01 -0.74 2.81 -1.09 -1.09 -4.96 121.20 117.25 1qsm s ILE 54 Ca -0.04 1.35 -0.07 0.00 -2.23 0.00 0.00 60.65 59.67 1qsm s ILE 54 Cb 0.13 -4.01 -0.09 0.00 -1.58 0.00 0.00 42.46 36.91 1qsm s ILE 54 CO 0.78 0.15 3.08 0.29 -1.23 0.00 0.00 174.94 178.00 1qsm n LYS 55 N 4.63 2.95 -4.30 2.79 5.02 -1.26 -4.79 118.16 123.21 1qsm n LYS 55 Ca -0.00 -1.99 -0.26 0.00 -2.02 0.00 0.00 58.31 54.03 1qsm n LYS 55 Cb 0.50 -2.34 -0.17 0.00 -0.02 0.00 0.00 35.03 33.00 1qsm n LYS 55 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1qsm s MET 56 N 0.40 1.72 0.41 1.97 1.75 -1.26 -1.05 119.30 123.24 1qsm s MET 56 Ca 0.64 -0.38 0.04 0.00 -1.25 0.00 0.00 55.69 54.74 1qsm s MET 56 Cb 0.27 -1.55 -0.04 0.00 2.84 0.00 0.00 34.83 36.35 1qsm s MET 56 CO -0.08 -0.10 0.06 -1.58 -0.65 0.00 0.00 175.02 172.67 1qsm s TRP 57 N 1.11 1.97 -0.23 4.11 0.51 0.13 -3.82 118.94 122.72 1qsm s TRP 57 Ca -0.06 -1.01 -0.12 0.00 -2.12 0.00 0.00 56.10 52.79 1qsm s TRP 57 Cb -0.14 -1.41 0.08 0.00 -0.81 0.00 0.00 33.47 31.18 1qsm s TRP 57 CO -0.02 0.04 0.55 0.00 -0.51 0.00 0.00 176.95 177.02 1qsm s ALA 58 N -3.07 -1.50 0.35 0.98 0.00 -1.26 -1.60 121.76 115.66 1qsm s ALA 58 Ca 0.24 1.98 0.08 0.00 0.00 0.00 0.00 51.96 54.27 1qsm s ALA 58 Cb 0.05 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1qsm s ALA 58 CO 0.12 -0.42 0.16 0.00 0.00 0.00 0.00 175.76 175.62 1qsm s ALA 59 N 1.75 3.54 -0.02 0.00 0.00 -0.23 -1.48 121.76 125.32 1qsm s ALA 59 Ca -0.09 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.04 1qsm s ALA 59 Cb -0.08 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.33 1qsm s ALA 59 CO -0.16 0.01 0.01 0.08 0.00 0.00 0.00 175.76 175.70 1qsm s VAL 60 N -2.43 0.05 -0.06 0.00 1.01 0.27 -2.29 120.40 116.96 1qsm s VAL 60 Ca 0.38 0.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.24 1qsm s VAL 60 Cb -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.18 1qsm s VAL 60 CO 0.23 0.09 0.68 0.00 0.00 0.00 0.00 175.10 176.09 1qsm s ALA 61 N 0.74 3.36 0.07 5.51 0.00 -0.73 -1.93 121.76 128.79 1qsm s ALA 61 Ca -0.07 0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.06 1qsm s ALA 61 Cb -0.10 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 1qsm s ALA 61 CO -0.02 -0.06 -0.16 0.08 0.00 0.00 0.00 175.76 175.60 1qsm s VAL 62 N 0.63 1.30 -0.19 0.00 1.01 0.12 -0.81 120.40 122.46 1qsm s VAL 62 Ca 0.36 -1.28 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 1qsm s VAL 62 Cb -0.18 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.00 1qsm s VAL 62 CO 0.18 -0.09 1.04 -1.61 0.00 0.00 0.00 175.10 174.62 1qsm s GLU 63 N -1.59 4.30 0.57 2.72 2.02 -0.65 -1.20 118.70 124.87 1qsm s GLU 63 Ca 0.02 1.38 0.36 0.00 0.02 0.00 0.00 54.97 56.75 1qsm s GLU 63 Cb -0.09 -3.62 1.57 0.00 0.10 0.00 0.00 34.13 32.09 1qsm s GLU 63 CO 0.02 -0.55 2.06 0.77 0.02 0.00 0.00 175.26 177.59 1qsm h SER 64 N 7.39 0.00 0.18 -0.19 0.02 -1.45 -3.07 113.55 116.42 1qsm h SER 64 Ca -0.23 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1qsm h SER 64 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1qsm h SER 64 CO 0.95 0.00 -0.08 0.77 -1.14 0.00 0.00 176.83 177.32 1qsm h SER 65 N 0.00 -0.20 0.00 3.07 4.64 -1.92 -3.46 113.55 115.68 1qsm h SER 65 Ca -0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1qsm h SER 65 Cb 0.42 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1qsm h SER 65 CO 0.00 0.07 0.00 -1.54 -0.87 0.00 0.00 176.83 174.49 1qsm n SER 66 N -5.08 0.00 -2.73 4.97 3.41 -1.16 -5.07 113.62 107.96 1qsm n SER 66 Ca -0.09 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.47 1qsm n SER 66 Cb 0.20 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.19 1qsm n SER 66 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1qsm n GLU 67 N 0.00 1.37 -3.00 4.33 4.07 -1.24 -4.70 120.64 121.46 1qsm n GLU 67 Ca 0.00 -3.25 -0.41 0.00 -0.06 0.00 0.00 57.16 53.43 1qsm n GLU 67 Cb 0.00 -1.30 -0.05 0.00 -0.06 0.00 0.00 31.44 30.03 1qsm n GLU 67 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1qsm s LYS 68 N -3.20 4.15 -0.40 5.31 2.47 -1.26 -4.90 119.74 121.92 1qsm s LYS 68 Ca 0.26 0.75 -0.29 0.00 -1.56 0.00 0.00 55.97 55.13 1qsm s LYS 68 Cb 0.41 -3.64 0.01 0.00 -1.46 0.00 0.00 37.83 33.15 1qsm s LYS 68 CO 0.00 -0.45 1.28 0.42 0.16 0.00 0.00 175.35 176.76 1qsm s ILE 69 N 2.64 4.09 -0.34 5.43 1.01 -1.26 -1.64 121.20 131.12 1qsm s ILE 69 Ca 0.31 1.15 0.12 0.00 0.00 0.00 0.00 60.65 62.23 1qsm s ILE 69 Cb -0.15 -4.33 -0.15 0.00 0.01 0.00 0.00 42.46 37.83 1qsm s ILE 69 CO 0.08 -0.75 0.41 2.30 0.00 0.00 0.00 174.94 176.98 1qsm n ILE 70 N 6.73 0.00 -4.06 2.92 -5.35 0.01 -4.96 119.36 114.65 1qsm n ILE 70 Ca 0.14 -0.24 -0.08 0.00 -0.27 0.00 0.00 62.75 62.30 1qsm n ILE 70 Cb 0.48 0.68 -0.10 0.00 -1.74 0.00 0.00 39.64 38.97 1qsm n ILE 70 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1qsm s GLY 71 N -2.65 0.48 -0.06 3.28 0.00 -1.02 0.11 107.32 107.47 1qsm s GLY 71 Ca 0.01 -1.15 -0.07 0.00 0.00 0.00 0.00 44.72 43.51 1qsm s GLY 71 CO 0.50 -1.24 0.18 -0.29 0.00 0.00 0.00 173.10 172.24 1qsm s MET 72 N -3.93 0.26 -0.18 2.90 -2.45 -0.52 -1.77 119.30 113.60 1qsm s MET 72 Ca 0.09 0.17 -0.04 0.00 -1.25 0.00 0.00 55.69 54.65 1qsm s MET 72 Cb 0.07 0.12 0.09 0.00 1.25 0.00 0.00 34.83 36.36 1qsm s MET 72 CO -0.08 -0.04 0.29 -1.50 1.05 0.00 0.00 175.02 174.74 1qsm s ILE 73 N -0.11 -0.46 -0.15 10.11 2.07 -0.97 -1.85 121.20 129.84 1qsm s ILE 73 Ca -0.02 0.08 -0.06 0.00 -1.41 0.00 0.00 60.65 59.24 1qsm s ILE 73 Cb -0.02 -0.62 -0.04 0.00 0.13 0.00 0.00 42.46 41.91 1qsm s ILE 73 CO 0.00 -0.03 0.04 0.20 -1.91 0.00 0.00 174.94 173.24 1qsm s ASN 74 N 2.44 5.44 0.08 4.50 0.01 -0.86 -1.07 114.94 125.49 1qsm s ASN 74 Ca 0.05 0.08 -0.12 0.00 -0.71 0.00 0.00 52.86 52.16 1qsm s ASN 74 Cb -0.14 -1.84 0.01 0.00 0.41 0.00 0.00 41.25 39.69 1qsm s ASN 74 CO -0.12 0.23 0.27 0.72 -1.51 0.00 0.00 177.10 176.69 1qsm s PHE 75 N 0.03 -0.01 0.20 2.20 -0.12 -0.63 -1.17 117.98 118.49 1qsm s PHE 75 Ca 0.04 -0.31 -0.11 0.00 -0.05 0.00 0.00 56.93 56.51 1qsm s PHE 75 Cb -0.12 0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.32 1qsm s PHE 75 CO 0.01 -0.57 0.36 -0.59 -0.05 0.00 0.00 175.22 174.39 1qsm s PHE 76 N -3.44 0.39 -0.01 3.49 -0.12 -0.49 0.20 117.98 118.00 1qsm s PHE 76 Ca 0.01 -0.74 -0.07 0.00 -0.05 0.00 0.00 56.93 56.08 1qsm s PHE 76 Cb 0.02 0.03 -0.05 0.00 -0.63 0.00 0.00 43.02 42.40 1qsm s PHE 76 CO -0.09 -0.83 0.26 1.21 -0.05 0.00 0.00 175.22 175.73 1qsm s ASN 77 N -2.99 6.51 0.08 1.98 2.47 -0.22 -0.78 114.94 122.00 1qsm s ASN 77 Ca 0.20 0.58 -0.19 0.00 0.42 0.00 0.00 52.86 53.88 1qsm s ASN 77 Cb 0.02 -2.10 0.04 0.00 -1.45 0.00 0.00 41.25 37.76 1qsm s ASN 77 CO 0.04 0.28 0.45 -1.38 -3.72 0.00 0.00 177.10 172.76 1qsm s HIS 78 N -1.24 -0.30 1.02 0.43 -3.43 -0.25 -4.96 115.29 106.55 1qsm s HIS 78 Ca 0.25 0.18 -0.17 0.00 -0.80 0.00 0.00 55.06 54.52 1qsm s HIS 78 Cb -0.13 0.28 0.25 0.00 -1.43 0.00 0.00 32.58 31.55 1qsm s HIS 78 CO 0.14 -0.65 0.92 -1.33 -2.00 0.00 0.00 174.74 171.82 1qsm n MET 79 N 0.18 -2.76 -3.62 -0.38 0.00 -1.26 -0.55 117.12 108.73 1qsm n MET 79 Ca -0.18 -1.47 -0.09 0.00 0.00 0.00 0.00 57.70 55.97 1qsm n MET 79 Cb 0.62 -1.37 -0.06 0.00 0.00 0.00 0.00 33.22 32.41 1qsm n MET 79 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1qsm s THR 80 N -2.68 0.00 -0.83 2.03 -1.32 -1.26 -4.55 115.64 107.03 1qsm s THR 80 Ca 0.60 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.32 1qsm s THR 80 Cb -0.06 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.98 1qsm s THR 80 CO 0.46 0.00 1.41 0.35 -2.21 0.00 0.00 174.62 174.63 1qsm n THR 81 N 1.56 0.17 1.58 5.08 -2.24 -1.26 -3.99 114.28 115.18 1qsm n THR 81 Ca -0.11 -0.13 0.14 0.00 -2.27 0.00 0.00 64.05 61.68 1qsm n THR 81 Cb 0.57 0.01 0.64 0.00 -2.10 0.00 0.00 70.33 69.45 1qsm n THR 81 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1qsm n TRP 82 N -1.79 0.00 -3.51 4.78 7.02 -1.26 -4.93 117.44 117.75 1qsm n TRP 82 Ca 0.05 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.44 1qsm n TRP 82 Cb 0.39 -0.06 -0.02 0.00 -2.42 0.00 0.00 31.31 29.20 1qsm n TRP 82 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1qsm s ASP 83 N -2.17 -0.37 0.26 -0.99 2.15 -1.26 -5.02 116.67 109.29 1qsm s ASP 83 Ca 0.37 -0.01 0.07 0.00 0.43 0.00 0.00 52.55 53.41 1qsm s ASP 83 Cb 0.21 0.39 0.33 0.00 -0.30 0.00 0.00 42.92 43.55 1qsm s ASP 83 CO 0.40 -0.63 1.61 -0.26 -0.17 0.00 0.00 175.17 176.11 1qsm h PHE 84 N 2.00 0.21 -3.48 -5.34 -1.00 -1.92 -3.43 116.94 103.98 1qsm h PHE 84 Ca -0.22 -0.08 -0.53 0.00 2.81 0.00 0.00 57.97 59.95 1qsm h PHE 84 Cb 1.24 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 40.73 1qsm h PHE 84 CO 0.26 0.70 0.25 0.15 -1.61 0.00 0.00 178.31 178.06 1qsm s LYS 85 N -3.80 4.58 1.00 1.51 1.02 -1.26 -5.01 119.74 117.78 1qsm s LYS 85 Ca -0.03 1.24 -0.13 0.00 0.02 0.00 0.00 55.97 57.06 1qsm s LYS 85 Cb 0.12 -3.38 0.19 0.00 -0.52 0.00 0.00 37.83 34.25 1qsm s LYS 85 CO 0.78 0.23 1.12 -0.51 -0.92 0.00 0.00 175.35 176.05 1qsm s ASP 86 N 0.05 2.68 0.31 2.83 1.01 -1.26 -4.73 116.67 117.55 1qsm s ASP 86 Ca 0.43 0.98 0.10 0.00 0.71 0.00 0.00 52.55 54.77 1qsm s ASP 86 Cb -0.22 -1.53 -0.05 0.00 1.01 0.00 0.00 42.92 42.13 1qsm s ASP 86 CO 0.26 -3.07 -0.10 -0.54 0.21 0.00 0.00 175.17 171.92 1qsm s LYS 87 N -5.17 1.87 -0.12 8.23 1.02 0.28 -4.63 119.74 121.22 1qsm s LYS 87 Ca 0.66 -1.78 0.00 0.00 0.02 0.00 0.00 55.97 54.87 1qsm s LYS 87 Cb -0.15 -1.83 -0.01 0.00 -0.52 0.00 0.00 37.83 35.32 1qsm s LYS 87 CO 0.56 0.24 -0.13 0.42 -0.92 0.00 0.00 175.35 175.51 1qsm s ILE 88 N -2.52 3.02 -0.16 2.17 -1.09 -0.23 -1.10 121.20 121.29 1qsm s ILE 88 Ca 0.32 -0.67 -0.01 0.00 -2.23 0.00 0.00 60.65 58.05 1qsm s ILE 88 Cb -0.02 -2.26 -0.01 0.00 -1.58 0.00 0.00 42.46 38.59 1qsm s ILE 88 CO 0.17 0.53 -0.10 -0.47 -1.23 0.00 0.00 174.94 173.83 1qsm s TYR 89 N 0.30 2.87 -0.53 3.97 5.04 0.04 -1.92 117.35 127.12 1qsm s TYR 89 Ca -0.10 -0.81 -0.23 0.00 -2.44 0.00 0.00 57.07 53.49 1qsm s TYR 89 Cb -0.16 -1.94 0.04 0.00 0.35 0.00 0.00 41.96 40.26 1qsm s TYR 89 CO 0.06 -0.36 0.83 0.42 -1.34 0.00 0.00 175.55 175.15 1qsm s ILE 90 N 0.79 4.56 -0.05 3.14 1.01 -0.38 -1.40 121.20 128.86 1qsm s ILE 90 Ca -0.04 0.07 -0.24 0.00 0.00 0.00 0.00 60.65 60.45 1qsm s ILE 90 Cb -0.15 -4.44 -0.27 0.00 0.01 0.00 0.00 42.46 37.61 1qsm s ILE 90 CO 0.01 -0.98 0.95 -1.13 0.00 0.00 0.00 174.94 173.80 1qsm h ASN 91 N 9.18 0.32 -3.90 3.58 -0.00 -1.46 -3.42 115.58 119.88 1qsm h ASN 91 Ca -0.26 -0.87 -0.40 0.00 -0.00 0.00 0.00 56.30 54.76 1qsm h ASN 91 Cb 1.08 -0.10 -0.17 0.00 -0.00 0.00 0.00 38.32 39.13 1qsm h ASN 91 CO 1.04 1.16 -0.75 -1.81 -0.00 0.00 0.00 177.43 177.07 1qsm s ASP 92 N -6.59 2.04 -0.29 1.15 1.01 -1.01 -4.99 116.67 107.98 1qsm s ASP 92 Ca -0.15 -0.88 -0.13 0.00 0.71 0.00 0.00 52.55 52.09 1qsm s ASP 92 Cb 0.01 -0.07 0.13 0.00 1.01 0.00 0.00 42.92 44.00 1qsm s ASP 92 CO 0.78 -0.19 0.77 -0.22 0.21 0.00 0.00 175.17 176.52 1qsm s LEU 93 N -2.74 -0.92 -0.17 1.23 2.96 -1.26 -2.02 118.68 115.77 1qsm s LEU 93 Ca 0.13 1.32 -0.07 0.00 -0.22 0.00 0.00 54.13 55.28 1qsm s LEU 93 Cb -0.03 2.12 0.07 0.00 0.50 0.00 0.00 46.19 48.86 1qsm s LEU 93 CO 0.03 -0.19 0.37 -0.47 -1.32 0.00 0.00 176.35 174.77 1qsm s TYR 94 N 2.39 -0.62 -0.08 5.38 5.04 -0.77 -5.02 117.35 123.67 1qsm s TYR 94 Ca -0.06 1.27 -0.00 0.00 -2.44 0.00 0.00 57.07 55.83 1qsm s TYR 94 Cb -0.08 0.20 -0.03 0.00 0.35 0.00 0.00 41.96 42.40 1qsm s TYR 94 CO -0.18 -0.39 -0.04 0.08 -1.34 0.00 0.00 175.55 173.67 1qsm s VAL 95 N 2.05 3.92 -0.02 3.14 1.01 -1.26 -1.44 120.40 127.79 1qsm s VAL 95 Ca -0.04 -0.39 -0.38 0.00 0.00 0.00 0.00 61.98 61.16 1qsm s VAL 95 Cb -0.11 -2.63 -0.17 0.00 0.00 0.00 0.00 36.38 33.48 1qsm s VAL 95 CO -0.12 0.59 1.38 -0.67 0.00 0.00 0.00 175.10 176.29 1qsm n ASP 96 N 2.29 1.49 0.19 3.32 -0.08 0.31 -4.82 116.55 119.25 1qsm n ASP 96 Ca -0.18 1.12 0.18 0.00 -1.51 0.00 0.00 54.79 54.40 1qsm n ASP 96 Cb 0.53 -1.12 0.76 0.00 2.34 0.00 0.00 41.12 43.62 1qsm n ASP 96 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1qsm h GLU 97 N 4.80 0.00 0.00 -0.67 4.81 -1.97 0.16 114.58 121.71 1qsm h GLU 97 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1qsm h GLU 97 Cb 1.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1qsm h GLU 97 CO 0.80 0.00 -1.03 0.09 -0.73 0.00 0.00 179.01 178.14 1qsm n ASN 98 N -3.35 0.92 -1.10 1.04 4.13 -1.26 -4.24 115.26 111.40 1qsm n ASN 98 Ca 0.04 -0.91 0.08 0.00 1.68 0.00 0.00 54.58 55.47 1qsm n ASN 98 Cb 0.54 1.02 0.28 0.00 -1.54 0.00 0.00 39.78 40.08 1qsm n ASN 98 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1qsm n SER 99 N -1.55 4.15 -4.85 6.41 7.64 0.52 -5.03 113.62 120.92 1qsm n SER 99 Ca 0.04 -2.77 -0.32 0.00 1.01 0.00 0.00 58.87 56.83 1qsm n SER 99 Cb 0.34 -0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 1qsm n SER 99 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1qsm s ARG 100 N -2.40 3.90 -1.40 1.43 0.52 -1.05 -3.94 118.95 116.00 1qsm s ARG 100 Ca 0.42 0.93 0.00 0.00 -0.52 0.00 0.00 55.73 56.56 1qsm s ARG 100 Cb 0.32 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.66 1qsm s ARG 100 CO 0.13 -0.31 0.00 0.28 0.02 0.00 0.00 175.30 175.42 1qsm n VAL 101 N -1.74 -0.57 0.32 3.52 0.31 -1.26 -4.87 118.33 114.05 1qsm n VAL 101 Ca 0.06 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.47 1qsm n VAL 101 Cb 0.54 -2.17 -0.10 0.00 -0.91 0.00 0.00 33.84 31.19 1qsm n VAL 101 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1qsm n LYS 102 N -2.51 1.23 0.00 5.55 4.01 -1.25 -4.99 118.16 120.20 1qsm n LYS 102 Ca -0.18 -0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.55 1qsm n LYS 102 Cb 0.61 -1.29 0.00 0.00 -0.51 0.00 0.00 35.03 33.84 1qsm n LYS 102 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1qsm n GLY 103 N 1.50 0.85 0.24 0.72 0.00 -1.26 -5.01 105.19 102.23 1qsm n GLY 103 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 1qsm n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qsm h ALA 104 N 0.00 0.74 -0.14 4.61 0.00 -1.94 -1.30 119.26 121.23 1qsm h ALA 104 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1qsm h ALA 104 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1qsm h ALA 104 CO 0.00 0.20 0.07 0.78 0.00 0.00 0.00 179.25 180.30 1qsm h GLY 105 N 0.79 0.21 0.98 0.00 0.00 -1.95 0.44 103.07 103.54 1qsm h GLY 105 Ca 0.21 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.48 1qsm h GLY 105 CO -0.04 0.10 0.58 -1.33 0.00 0.00 0.00 176.54 175.85 1qsm h GLY 106 N 0.11 1.27 1.17 4.60 0.00 -1.94 -1.83 103.07 106.46 1qsm h GLY 106 Ca 0.05 -0.43 -0.15 0.00 0.00 0.00 0.00 47.33 46.80 1qsm h GLY 106 CO -0.01 0.36 -0.34 0.50 0.00 0.00 0.00 176.54 177.05 1qsm h LYS 107 N 1.09 0.92 -0.46 4.80 1.57 -0.85 -1.36 116.57 122.28 1qsm h LYS 107 Ca 0.36 -0.46 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1qsm h LYS 107 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1qsm h LYS 107 CO -0.11 1.11 0.20 -0.07 -0.57 0.00 0.00 179.45 180.01 1qsm h LEU 108 N 0.76 0.61 -0.51 2.94 3.38 -0.33 -0.93 115.31 121.24 1qsm h LEU 108 Ca 0.07 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1qsm h LEU 108 Cb 0.93 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1qsm h LEU 108 CO 0.09 0.59 -0.31 0.40 0.09 0.00 0.00 178.44 179.30 1qsm h ILE 109 N 0.60 1.27 -0.68 1.22 2.04 -1.33 -2.72 117.51 117.91 1qsm h ILE 109 Ca 0.16 -1.47 -0.03 0.00 1.00 0.00 0.00 64.86 64.51 1qsm h ILE 109 Cb 0.15 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1qsm h ILE 109 CO -0.02 0.49 0.30 -0.61 0.00 0.00 0.00 178.15 178.32 1qsm h GLN 110 N 0.75 0.98 -0.71 2.37 5.75 -1.05 -1.92 115.11 121.28 1qsm h GLN 110 Ca 0.08 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 1qsm h GLN 110 Cb 0.87 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.21 1qsm h GLN 110 CO 0.08 0.78 0.38 0.35 -2.65 0.00 0.00 178.83 177.76 1qsm h PHE 111 N 0.97 0.99 -0.41 3.99 3.57 -1.00 -1.70 116.94 123.35 1qsm h PHE 111 Ca 0.23 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 1qsm h PHE 111 Cb 0.14 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1qsm h PHE 111 CO 0.01 0.71 0.13 0.28 -2.23 0.00 0.00 178.31 177.21 1qsm h VAL 112 N 0.98 1.22 -0.21 1.41 2.07 -1.13 -1.11 116.25 119.48 1qsm h VAL 112 Ca 0.25 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 67.12 1qsm h VAL 112 Cb 0.06 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 1qsm h VAL 112 CO -0.04 0.25 -0.15 1.88 0.02 0.00 0.00 177.57 179.53 1qsm h TYR 113 N 0.52 -0.38 -0.64 1.57 -1.99 -0.95 0.37 116.97 115.46 1qsm h TYR 113 Ca 0.13 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.85 1qsm h TYR 113 Cb 0.25 0.20 -0.03 0.00 2.00 0.00 0.00 36.73 39.16 1qsm h TYR 113 CO 0.01 -0.22 0.24 -0.44 -0.00 0.00 0.00 178.16 177.75 1qsm h ASP 114 N -0.15 0.90 0.13 3.88 3.32 -1.20 -0.61 116.42 122.68 1qsm h ASP 114 Ca 0.12 -0.18 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 1qsm h ASP 114 Cb 0.33 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1qsm h ASP 114 CO -0.30 0.84 -0.44 -0.33 -1.72 0.00 0.00 179.24 177.29 1qsm h GLU 115 N 0.91 0.38 -0.28 3.56 4.39 -0.69 -2.57 114.58 120.29 1qsm h GLU 115 Ca 0.21 -0.20 -0.15 0.00 0.34 0.00 0.00 59.36 59.56 1qsm h GLU 115 Cb 0.23 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1qsm h GLU 115 CO -0.01 0.75 -0.45 0.00 -1.16 0.00 0.00 179.01 178.14 1qsm h ALA 116 N 1.22 0.69 -0.72 3.43 0.00 -0.01 -2.75 119.26 121.12 1qsm h ALA 116 Ca 0.02 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1qsm h ALA 116 Cb 0.90 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1qsm h ALA 116 CO 0.08 0.67 0.24 -0.44 0.00 0.00 0.00 179.25 179.80 1qsm h ASP 117 N 0.57 1.04 0.71 0.00 3.45 -0.99 -1.60 116.42 119.60 1qsm h ASP 117 Ca 0.04 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.30 1qsm h ASP 117 Cb 1.00 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 39.50 1qsm h ASP 117 CO 0.09 0.96 0.00 0.29 -1.57 0.00 0.00 179.24 179.01 1qsm n LYS 118 N -4.30 0.19 0.00 3.56 5.02 -0.98 -2.34 118.16 119.32 1qsm n LYS 118 Ca 0.06 0.43 0.11 0.00 -2.02 0.00 0.00 58.31 56.88 1qsm n LYS 118 Cb 0.21 -1.87 0.01 0.00 -0.02 0.00 0.00 35.03 33.36 1qsm n LYS 118 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1qsm n LEU 119 N -2.24 0.81 0.00 -0.35 4.77 -0.69 -4.96 117.00 114.35 1qsm n LEU 119 Ca 0.02 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1qsm n LEU 119 Cb 0.22 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1qsm n LEU 119 CO 0.19 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1qsm n GLY 120 N 1.50 0.48 2.45 -0.72 0.00 -0.93 -4.96 105.19 103.01 1qsm n GLY 120 Ca 0.04 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 1qsm n GLY 120 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qsm n THR 121 N -2.94 1.53 0.27 2.61 -2.24 -0.70 -4.73 114.28 108.09 1qsm n THR 121 Ca 0.00 -4.95 0.13 0.00 -2.27 0.00 0.00 64.05 56.96 1qsm n THR 121 Cb 0.00 -1.72 0.76 0.00 -2.10 0.00 0.00 70.33 67.27 1qsm n THR 121 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1qsm h PRO 122 N 3.76 0.00 -6.04 -0.78 0.13 -1.83 -3.40 132.00 123.84 1qsm h PRO 122 Ca 0.14 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.75 1qsm h PRO 122 Cb 0.71 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.81 1qsm h PRO 122 CO 0.71 0.10 1.36 0.45 -0.23 0.00 0.00 178.00 180.39 1qsm s SER 123 N -6.14 5.39 -0.05 1.44 0.15 -1.26 -4.88 113.70 108.35 1qsm s SER 123 Ca -0.03 0.77 0.04 0.00 0.70 0.00 0.00 55.95 57.43 1qsm s SER 123 Cb 0.13 -2.52 -0.02 0.00 -1.71 0.00 0.00 66.02 61.89 1qsm s SER 123 CO 0.58 -2.20 -0.16 -0.69 1.20 0.00 0.00 173.24 171.96 1qsm s VAL 124 N 8.69 2.87 0.18 4.45 1.01 -1.26 -1.07 120.40 135.27 1qsm s VAL 124 Ca 0.75 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.81 1qsm s VAL 124 Cb -0.17 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.12 1qsm s VAL 124 CO 0.26 0.59 0.40 -0.72 0.00 0.00 0.00 175.10 175.63 1qsm s TYR 125 N -0.69 0.14 0.17 5.22 -0.85 -0.81 -4.99 117.35 115.54 1qsm s TYR 125 Ca 0.11 -0.49 -0.24 0.00 -0.52 0.00 0.00 57.07 55.92 1qsm s TYR 125 Cb -0.11 0.17 0.06 0.00 0.38 0.00 0.00 41.96 42.46 1qsm s TYR 125 CO 0.00 -0.82 0.78 1.67 -1.52 0.00 0.00 175.55 175.67 1qsm s TRP 126 N -3.92 -0.29 0.30 -3.49 -2.14 -1.26 -1.25 118.94 106.89 1qsm s TRP 126 Ca 0.13 -0.01 0.04 0.00 2.66 0.00 0.00 56.10 58.92 1qsm s TRP 126 Cb 0.01 0.63 -0.06 0.00 -3.10 0.00 0.00 33.47 30.95 1qsm s TRP 126 CO -0.02 -0.92 0.03 0.00 -2.66 0.00 0.00 176.95 173.38 1qsm s THR 128 N -3.25 0.00 0.36 0.00 -1.32 -1.26 -5.08 115.64 105.09 1qsm s THR 128 Ca 0.34 -0.06 -0.28 0.00 -1.21 0.00 0.00 61.69 60.47 1qsm s THR 128 Cb 0.07 -1.05 -0.11 0.00 -1.51 0.00 0.00 72.50 69.90 1qsm s THR 128 CO 0.14 -0.01 1.47 -1.81 -2.21 0.00 0.00 174.62 172.20 1qsm s ASP 129 N -2.76 6.43 0.54 8.08 1.01 -1.26 -4.87 116.67 123.83 1qsm s ASP 129 Ca 0.02 2.97 0.20 0.00 0.71 0.00 0.00 52.55 56.45 1qsm s ASP 129 Cb -0.01 -2.66 1.39 0.00 1.01 0.00 0.00 42.92 42.65 1qsm s ASP 129 CO -0.12 -0.82 2.13 1.05 0.21 0.00 0.00 175.17 177.63 1qsm h GLU 130 N 3.32 0.00 -0.01 8.23 4.11 -2.06 -1.11 114.58 127.07 1qsm h GLU 130 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1qsm h GLU 130 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1qsm h GLU 130 CO 0.66 0.00 -0.09 -1.13 0.07 0.00 0.00 179.01 178.52 1qsm n SER 131 N -4.37 0.73 -4.11 3.06 3.41 -1.26 -4.63 113.62 106.45 1qsm n SER 131 Ca -0.01 -0.90 -0.43 0.00 -0.26 0.00 0.00 58.87 57.28 1qsm n SER 131 Cb 0.19 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1qsm n SER 131 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1qsm n ASN 132 N -0.65 4.45 0.19 4.04 2.85 -0.42 -4.73 115.26 120.99 1qsm n ASN 132 Ca 0.17 -2.90 0.06 0.00 -0.11 0.00 0.00 54.58 51.80 1qsm n ASN 132 Cb 0.28 -1.68 0.34 0.00 1.24 0.00 0.00 39.78 39.97 1qsm n ASN 132 CO 0.00 0.00 0.00 0.45 -2.11 0.00 0.00 177.26 175.60 1qsm h HIS 133 N 6.64 0.00 -0.20 1.20 3.86 -1.85 -2.55 115.15 122.25 1qsm h HIS 133 Ca 0.50 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.68 1qsm h HIS 133 Cb 0.74 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.20 1qsm h HIS 133 CO 1.41 0.36 0.03 -0.09 0.86 0.00 0.00 177.93 180.50 1qsm h ARG 134 N 0.00 0.34 -0.23 2.45 2.43 -1.99 -2.25 114.38 115.12 1qsm h ARG 134 Ca -0.00 -0.09 -0.18 0.00 -0.81 0.00 0.00 59.98 58.89 1qsm h ARG 134 Cb 0.89 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1qsm h ARG 134 CO 0.05 0.50 -0.58 0.00 -1.51 0.00 0.00 179.97 178.43 1qsm h ALA 135 N 0.82 0.54 0.00 2.80 0.00 -1.96 -3.14 119.26 118.32 1qsm h ALA 135 Ca 0.06 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1qsm h ALA 135 Cb 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1qsm h ALA 135 CO 0.01 0.69 -0.01 1.96 0.00 0.00 0.00 179.25 181.90 1qsm h GLN 136 N 0.56 0.00 0.00 0.00 4.20 -1.42 -0.72 115.11 117.73 1qsm h GLN 136 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1qsm h GLN 136 Cb 1.17 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 1qsm h GLN 136 CO 0.12 0.01 -0.21 1.25 -0.67 0.00 0.00 178.83 179.33 1qsm h LEU 137 N 0.00 0.00 0.00 1.46 5.85 -1.35 -1.04 115.31 120.23 1qsm h LEU 137 Ca -0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 1qsm h LEU 137 Cb 0.36 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1qsm h LEU 137 CO 0.00 0.21 -1.06 0.25 -0.34 0.00 0.00 178.44 177.50 1qsm h LEU 138 N 0.00 0.00 -1.13 2.25 5.85 -1.33 -3.39 115.31 117.55 1qsm h LEU 138 Ca -0.00 -0.46 0.16 0.00 0.84 0.00 0.00 57.88 58.42 1qsm h LEU 138 Cb 0.41 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.35 1qsm h LEU 138 CO 0.03 1.34 0.61 1.88 -0.34 0.00 0.00 178.44 181.96 1qsm h TYR 139 N -1.00 0.98 0.00 1.25 0.99 -1.10 0.51 116.97 118.59 1qsm h TYR 139 Ca -0.27 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.49 1qsm h TYR 139 Cb 1.16 -0.30 0.00 0.00 1.00 0.00 0.00 36.73 38.58 1qsm h TYR 139 CO 0.06 0.31 0.00 -0.24 -0.00 0.00 0.00 178.16 178.29 1qsm h VAL 140 N 0.78 0.00 0.00 -2.88 3.04 -1.39 0.56 116.25 116.36 1qsm h VAL 140 Ca 0.51 -0.20 -0.31 0.00 -1.01 0.00 0.00 66.70 65.69 1qsm h VAL 140 Cb 0.76 0.93 -0.05 0.00 -2.01 0.00 0.00 31.29 30.92 1qsm h VAL 140 CO -0.28 0.00 -1.89 0.29 -1.01 0.00 0.00 177.57 174.68 1qsm n LYS 141 N -2.45 0.65 0.00 4.17 5.02 0.15 -4.36 118.16 121.33 1qsm n LYS 141 Ca 0.00 0.22 0.06 0.00 -2.02 0.00 0.00 58.31 56.57 1qsm n LYS 141 Cb 0.18 -1.72 0.02 0.00 -0.02 0.00 0.00 35.03 33.48 1qsm n LYS 141 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1qsm n VAL 142 N -2.99 0.00 -3.52 -0.18 0.24 -1.04 -5.05 118.33 105.79 1qsm n VAL 142 Ca -0.22 -0.43 -0.01 0.00 -2.04 0.00 0.00 64.34 61.65 1qsm n VAL 142 Cb 1.08 1.18 -0.00 0.00 -1.47 0.00 0.00 33.84 34.62 1qsm n VAL 142 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qsm n GLY 143 N 0.85 2.88 2.86 7.63 0.00 0.19 -5.07 105.19 114.53 1qsm n GLY 143 Ca 0.06 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 1qsm n GLY 143 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qsm s TYR 144 N -5.41 -0.02 -0.11 1.61 -0.85 -1.26 -4.45 117.35 106.86 1qsm s TYR 144 Ca 0.02 0.11 -0.29 0.00 -0.52 0.00 0.00 57.07 56.39 1qsm s TYR 144 Cb -0.00 -0.07 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 1qsm s TYR 144 CO 0.02 -0.05 1.55 0.21 -1.52 0.00 0.00 175.55 175.76 1qsm s LYS 145 N 0.40 4.14 0.20 -3.49 2.20 -1.26 -4.99 119.74 116.94 1qsm s LYS 145 Ca -0.03 1.98 -0.30 0.00 -0.36 0.00 0.00 55.97 57.26 1qsm s LYS 145 Cb -0.05 -3.94 -0.08 0.00 -1.51 0.00 0.00 37.83 32.25 1qsm s LYS 145 CO -0.01 -0.88 1.11 0.00 -0.36 0.00 0.00 175.35 175.21 1qsm s ALA 146 N 4.08 3.39 0.00 3.13 0.00 -1.26 -4.91 121.76 126.19 1qsm s ALA 146 Ca 0.68 0.85 -0.03 0.00 0.00 0.00 0.00 51.96 53.47 1qsm s ALA 146 Cb -0.29 -3.35 -0.14 0.00 0.00 0.00 0.00 23.12 19.33 1qsm s ALA 146 CO 0.26 -0.22 2.40 -0.35 0.00 0.00 0.00 175.76 177.85 1qsm n PRO 147 N 2.10 1.24 -4.45 0.00 -0.04 -1.26 -4.84 135.00 127.75 1qsm n PRO 147 Ca 0.02 -0.54 -0.25 0.00 -0.04 0.00 0.00 63.50 62.70 1qsm n PRO 147 Cb 0.46 -1.68 -0.11 0.00 -0.04 0.00 0.00 33.50 32.13 1qsm n PRO 147 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1qsm s LYS 148 N 1.35 1.61 -0.07 0.54 1.02 -1.26 -5.14 119.74 117.79 1qsm s LYS 148 Ca 0.36 -1.68 0.05 0.00 0.02 0.00 0.00 55.97 54.72 1qsm s LYS 148 Cb 0.17 -1.75 -0.01 0.00 -0.52 0.00 0.00 37.83 35.72 1qsm s LYS 148 CO 0.00 0.34 -0.23 0.42 -0.92 0.00 0.00 175.35 174.96 1qsm s ILE 149 N -2.27 2.21 -0.02 2.17 1.01 -1.26 -5.13 121.20 117.92 1qsm s ILE 149 Ca 0.27 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 1qsm s ILE 149 Cb -0.06 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 1qsm s ILE 149 CO 0.13 0.57 0.32 -0.22 0.00 0.00 0.00 174.94 175.73 1qsm s LEU 150 N -0.10 4.42 0.05 2.97 2.96 -1.26 -5.10 118.68 122.62 1qsm s LEU 150 Ca -0.05 0.76 0.07 0.00 -0.22 0.00 0.00 54.13 54.69 1qsm s LEU 150 Cb -0.14 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 1qsm s LEU 150 CO 0.04 0.32 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.89 1qsm s TYR 151 N -1.14 1.68 0.14 5.38 1.51 -1.26 -5.15 117.35 118.52 1qsm s TYR 151 Ca 0.23 -0.37 0.08 0.00 -1.01 0.00 0.00 57.07 55.99 1qsm s TYR 151 Cb -0.15 -0.99 -0.04 0.00 -0.11 0.00 0.00 41.96 40.67 1qsm s TYR 151 CO 0.12 0.09 -0.17 0.15 -1.11 0.00 0.00 175.55 174.63 1qsm s LYS 152 N -1.25 1.18 0.31 -0.62 1.02 -1.26 -5.12 119.74 114.00 1qsm s LYS 152 Ca 0.06 -1.32 -0.29 0.00 0.02 0.00 0.00 55.97 54.44 1qsm s LYS 152 Cb -0.09 -1.22 -0.10 0.00 -0.52 0.00 0.00 37.83 35.90 1qsm s LYS 152 CO 0.02 0.25 1.36 0.50 -0.92 0.00 0.00 175.35 176.56 1qsm s ARG 153 N -2.63 4.31 -0.21 1.68 3.52 -1.26 -4.89 118.95 119.46 1qsm s ARG 153 Ca 0.12 2.27 -0.39 0.00 -0.13 0.00 0.00 55.73 57.61 1qsm s ARG 153 Cb -0.06 -3.08 -0.15 0.00 -1.56 0.00 0.00 34.95 30.10 1qsm s ARG 153 CO 0.05 -0.29 1.75 1.63 -0.81 0.00 0.00 175.30 177.63 1qsm n LYS 154 N 1.23 1.37 0.00 5.12 4.76 -1.26 -1.13 118.16 128.25 1qsm n LYS 154 Ca 0.02 0.50 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 1qsm n LYS 154 Cb 0.41 -2.22 0.00 0.00 -1.84 0.00 0.00 35.03 31.39 1qsm n LYS 154 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qsm n GLY 155 N 4.13 2.90 0.82 0.72 0.00 -1.26 -5.36 105.19 107.14 1qsm n GLY 155 Ca 0.25 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.37 1qsm n GLY 155 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60