#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lsm s VAL 2 N 0.00 5.27 0.50 3.15 1.01 -1.26 -1.46 120.40 127.60 1lsm s VAL 2 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 1lsm s VAL 2 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1lsm s VAL 2 CO 0.00 0.06 0.83 -0.36 0.00 0.00 0.00 175.10 175.63 1lsm s PHE 3 N 1.79 3.56 0.31 5.22 0.40 -0.63 -5.00 117.98 123.63 1lsm s PHE 3 Ca 0.08 0.93 -0.04 0.00 -0.60 0.00 0.00 56.93 57.29 1lsm s PHE 3 Cb -0.17 -2.40 -0.05 0.00 0.51 0.00 0.00 43.02 40.92 1lsm s PHE 3 CO 0.11 -0.33 0.57 0.20 0.70 0.00 0.00 175.22 176.47 1lsm s GLY 4 N -3.98 1.78 0.12 4.36 0.00 -1.26 -4.86 107.32 103.47 1lsm s GLY 4 Ca 0.49 -0.59 -0.33 0.00 0.00 0.00 0.00 44.72 44.30 1lsm s GLY 4 CO 0.45 -0.48 1.54 -0.09 0.00 0.00 0.00 173.10 174.52 1lsm h ARG 5 N 1.48 -0.45 -0.04 2.90 2.43 -1.97 0.27 114.38 119.00 1lsm h ARG 5 Ca -0.48 0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 58.59 1lsm h ARG 5 Cb 1.19 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1lsm h ARG 5 CO 0.65 -0.30 -0.58 0.00 -1.51 0.00 0.00 179.97 178.24 1lsm h GLU 7 N 0.09 0.76 -0.18 0.00 4.81 -1.81 -1.13 114.58 117.12 1lsm h GLU 7 Ca -0.00 -0.24 -0.19 0.00 -0.13 0.00 0.00 59.36 58.79 1lsm h GLU 7 Cb 1.04 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.36 1lsm h GLU 7 CO 0.08 0.83 -0.64 1.25 -0.73 0.00 0.00 179.01 179.80 1lsm h LEU 8 N 0.69 0.88 -0.65 1.64 5.85 -0.10 -2.16 115.31 121.46 1lsm h LEU 8 Ca 0.12 -0.60 0.11 0.00 0.84 0.00 0.00 57.88 58.35 1lsm h LEU 8 Cb 0.55 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 1lsm h LEU 8 CO 0.03 1.33 0.25 0.00 -0.34 0.00 0.00 178.44 179.71 1lsm h ALA 9 N 0.57 0.86 -0.50 1.25 0.00 -0.65 0.50 119.26 121.30 1lsm h ALA 9 Ca -0.03 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1lsm h ALA 9 Cb 1.26 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1lsm h ALA 9 CO 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 179.25 179.16 1lsm h ALA 10 N 1.45 0.67 -0.32 0.00 0.00 -1.14 0.07 119.26 120.00 1lsm h ALA 10 Ca 0.34 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1lsm h ALA 10 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1lsm h ALA 10 CO -0.33 0.51 -0.23 0.00 0.00 0.00 0.00 179.25 179.20 1lsm h ALA 11 N 0.92 1.01 -0.42 0.00 0.00 -0.67 -1.20 119.26 118.90 1lsm h ALA 11 Ca 0.14 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1lsm h ALA 11 Cb 0.56 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1lsm h ALA 11 CO 0.03 0.59 -0.17 0.52 0.00 0.00 0.00 179.25 180.22 1lsm h MET 12 N 0.54 0.86 -0.21 0.00 2.86 -0.66 -1.88 114.93 116.44 1lsm h MET 12 Ca 0.08 -0.36 0.03 0.00 -2.06 0.00 0.00 59.70 57.39 1lsm h MET 12 Cb 0.68 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 1lsm h MET 12 CO 0.05 1.00 0.03 -0.22 1.06 0.00 0.00 176.91 178.84 1lsm h LYS 13 N 0.68 0.11 -0.39 1.72 3.64 -0.69 -1.59 116.57 120.05 1lsm h LYS 13 Ca 0.10 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1lsm h LYS 13 Cb 0.72 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1lsm h LYS 13 CO 0.05 0.07 0.26 -0.09 -2.27 0.00 0.00 179.45 177.48 1lsm h ARG 14 N 0.12 0.42 -0.07 1.90 2.43 -1.15 -0.16 114.38 117.87 1lsm h ARG 14 Ca 0.10 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1lsm h ARG 14 Cb 0.10 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1lsm h ARG 14 CO -0.13 0.28 0.00 0.72 -1.51 0.00 0.00 179.97 179.33 1lsm n HIS 15 N -4.48 0.09 -1.17 2.20 8.25 -0.67 -4.91 115.22 114.53 1lsm n HIS 15 Ca 0.04 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1lsm n HIS 15 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 1lsm n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lsm n GLY 16 N 0.82 0.40 0.18 -1.41 0.00 -0.07 -4.96 105.19 100.15 1lsm n GLY 16 Ca 0.11 -1.03 0.09 0.00 0.00 0.00 0.00 46.02 45.19 1lsm n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1lsm h LEU 17 N 0.00 0.00 -9.00 0.99 3.38 -1.51 -3.40 115.31 105.77 1lsm h LEU 17 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1lsm h LEU 17 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1lsm h LEU 17 CO 0.00 0.17 1.40 -0.67 0.09 0.00 0.00 178.44 179.43 1lsm n ASP 18 N -3.11 3.24 -0.80 -0.43 2.03 -1.26 -1.54 116.55 114.69 1lsm n ASP 18 Ca 0.03 0.43 -0.10 0.00 0.52 0.00 0.00 54.79 55.66 1lsm n ASP 18 Cb 0.60 -1.48 -0.04 0.00 -0.72 0.00 0.00 41.12 39.47 1lsm n ASP 18 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1lsm n ASN 19 N 10.22 -4.54 -4.67 1.67 3.02 0.56 -4.88 115.26 116.64 1lsm n ASN 19 Ca 0.29 0.26 -0.42 0.00 -0.03 0.00 0.00 54.58 54.68 1lsm n ASN 19 Cb 0.39 -2.96 -0.03 0.00 -0.61 0.00 0.00 39.78 36.58 1lsm n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1lsm s TYR 20 N -2.29 2.31 -1.88 3.10 5.04 -0.59 -1.32 117.35 121.72 1lsm s TYR 20 Ca 0.00 0.44 0.00 0.00 -2.44 0.00 0.00 57.07 55.07 1lsm s TYR 20 Cb 0.00 -3.81 0.00 0.00 0.35 0.00 0.00 41.96 38.50 1lsm s TYR 20 CO 0.00 -3.28 0.00 0.54 -1.34 0.00 0.00 175.55 171.47 1lsm n ARG 21 N 6.57 -1.42 -0.05 4.97 5.12 -1.26 -1.99 116.66 128.60 1lsm n ARG 21 Ca 0.16 1.08 0.00 0.00 -1.93 0.00 0.00 57.85 57.16 1lsm n ARG 21 Cb 0.43 -5.50 0.00 0.00 -1.16 0.00 0.00 32.46 26.23 1lsm n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1lsm n GLY 22 N -0.78 0.69 3.60 -0.13 0.00 -0.44 -5.04 105.19 103.09 1lsm n GLY 22 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 1lsm n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lsm s TYR 23 N -2.28 3.24 0.68 1.61 2.02 -0.84 -4.87 117.35 116.90 1lsm s TYR 23 Ca 0.00 0.46 -0.16 0.00 -0.37 0.00 0.00 57.07 57.00 1lsm s TYR 23 Cb 0.00 -2.76 0.01 0.00 -0.40 0.00 0.00 41.96 38.82 1lsm s TYR 23 CO 0.00 -0.35 1.18 -1.54 -1.57 0.00 0.00 175.55 173.27 1lsm s SER 24 N 1.63 4.65 0.40 2.29 1.04 -1.26 -0.32 113.70 122.13 1lsm s SER 24 Ca 0.19 2.27 0.19 0.00 0.48 0.00 0.00 55.95 59.08 1lsm s SER 24 Cb -0.16 -2.58 1.11 0.00 0.10 0.00 0.00 66.02 64.49 1lsm s SER 24 CO 0.11 -1.95 1.76 0.25 0.98 0.00 0.00 173.24 174.39 1lsm h LEU 25 N 0.06 0.45 -1.89 2.42 5.85 -1.90 0.20 115.31 120.50 1lsm h LEU 25 Ca -0.48 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 1lsm h LEU 25 Cb 1.28 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 1lsm h LEU 25 CO 0.52 0.07 -0.12 1.23 -0.34 0.00 0.00 178.44 179.80 1lsm h GLY 26 N 0.39 0.00 1.02 3.75 0.00 -1.90 -1.77 103.07 104.56 1lsm h GLY 26 Ca 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.86 1lsm h GLY 26 CO -0.31 0.00 0.03 3.43 0.00 0.00 0.00 176.54 179.69 1lsm h ASN 27 N 0.00 0.88 -0.46 0.19 2.35 -0.85 -0.56 115.58 117.15 1lsm h ASN 27 Ca -0.00 -0.29 -0.08 0.00 -0.55 0.00 0.00 56.30 55.38 1lsm h ASN 27 Cb 0.26 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1lsm h ASN 27 CO 0.02 0.96 -0.01 -0.50 -1.65 0.00 0.00 177.43 176.24 1lsm h TRP 28 N 0.79 0.89 -0.35 1.19 4.06 -1.47 -0.48 115.95 120.57 1lsm h TRP 28 Ca 0.15 -0.16 -0.10 0.00 2.06 0.00 0.00 58.89 60.84 1lsm h TRP 28 Cb 0.48 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.40 1lsm h TRP 28 CO 0.04 0.86 -0.19 0.28 -3.56 0.00 0.00 178.44 175.87 1lsm h VAL 29 N 0.66 1.29 -0.60 1.49 2.07 -1.29 -1.33 116.25 118.54 1lsm h VAL 29 Ca 0.13 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 1lsm h VAL 29 Cb 0.52 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1lsm h VAL 29 CO 0.03 0.43 0.28 0.00 0.02 0.00 0.00 177.57 178.33 1lsm h ALA 31 N 1.12 0.81 -0.47 0.00 0.00 -0.87 -1.55 119.26 118.30 1lsm h ALA 31 Ca 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1lsm h ALA 31 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1lsm h ALA 31 CO -0.03 0.36 0.12 0.00 0.00 0.00 0.00 179.25 179.71 1lsm h ALA 32 N 1.13 1.35 0.17 0.00 0.00 -0.69 0.27 119.26 121.49 1lsm h ALA 32 Ca 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1lsm h ALA 32 Cb 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1lsm h ALA 32 CO -0.03 0.47 -0.08 -0.22 0.00 0.00 0.00 179.25 179.39 1lsm h LYS 33 N 0.68 -0.22 0.00 0.00 1.63 -0.46 -1.47 116.57 116.73 1lsm h LYS 33 Ca 0.16 0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.85 1lsm h LYS 33 Cb 0.24 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 1lsm h LYS 33 CO -0.01 -0.14 -0.55 0.74 -3.45 0.00 0.00 179.45 176.04 1lsm h PHE 34 N -0.23 0.00 -0.09 1.91 0.04 -0.83 -0.13 116.94 117.61 1lsm h PHE 34 Ca -0.02 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.50 1lsm h PHE 34 Cb 0.18 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.34 1lsm h PHE 34 CO -0.07 0.55 -0.89 0.93 -0.60 0.00 0.00 178.31 178.24 1lsm h GLU 35 N 0.00 0.76 0.00 1.51 4.39 -0.41 -3.42 114.58 117.41 1lsm h GLU 35 Ca -0.01 -0.70 0.00 0.00 0.34 0.00 0.00 59.36 58.99 1lsm h GLU 35 Cb 1.40 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.22 1lsm h GLU 35 CO 0.07 1.29 0.00 -1.13 -1.16 0.00 0.00 179.01 178.08 1lsm n SER 36 N -3.91 0.00 -2.59 1.42 3.41 -0.58 -4.79 113.62 106.59 1lsm n SER 36 Ca -0.09 -1.00 -0.21 0.00 -0.26 0.00 0.00 58.87 57.31 1lsm n SER 36 Cb 0.81 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1lsm n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1lsm n ASN 37 N 0.00 -5.72 0.00 4.04 5.15 -0.06 -1.19 115.26 117.48 1lsm n ASN 37 Ca 0.00 -0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 1lsm n ASN 37 Cb 0.34 -4.73 0.00 0.00 -0.53 0.00 0.00 39.78 34.86 1lsm n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1lsm n PHE 38 N -4.08 0.00 -3.14 1.20 3.72 -1.16 -4.85 117.46 109.15 1lsm n PHE 38 Ca -0.20 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.80 1lsm n PHE 38 Cb 0.66 -0.78 -0.07 0.00 -0.94 0.00 0.00 39.48 38.35 1lsm n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1lsm s ASN 39 N -2.06 6.50 0.33 4.37 3.84 -0.33 -1.60 114.94 125.99 1lsm s ASN 39 Ca 0.00 0.51 0.26 0.00 0.21 0.00 0.00 52.86 53.84 1lsm s ASN 39 Cb 0.00 -2.32 1.10 0.00 -0.55 0.00 0.00 41.25 39.48 1lsm s ASN 39 CO 0.00 -0.41 1.78 0.71 -2.79 0.00 0.00 177.10 176.39 1lsm h THR 40 N 5.48 0.00 -0.40 -5.21 1.35 -1.56 -2.76 112.91 109.82 1lsm h THR 40 Ca -0.27 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1lsm h THR 40 Cb 1.12 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1lsm h THR 40 CO 0.77 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.04 1lsm n GLN 41 N -2.44 2.09 -2.10 4.72 6.02 -1.26 -3.95 117.38 120.46 1lsm n GLN 41 Ca 0.01 -1.68 -0.41 0.00 -0.01 0.00 0.00 57.00 54.92 1lsm n GLN 41 Cb 0.23 -1.40 -0.02 0.00 1.02 0.00 0.00 30.24 30.07 1lsm n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lsm s ALA 42 N -1.48 3.53 0.03 -1.58 0.00 -1.04 -4.80 121.76 116.42 1lsm s ALA 42 Ca 0.34 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.57 1lsm s ALA 42 Cb 0.18 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1lsm s ALA 42 CO 0.25 -0.65 -0.05 0.95 0.00 0.00 0.00 175.76 176.25 1lsm s THR 43 N -0.72 0.30 -0.15 0.00 -4.23 -1.26 -0.60 115.64 108.97 1lsm s THR 43 Ca 0.52 -0.93 -0.08 0.00 -1.18 0.00 0.00 61.69 60.03 1lsm s THR 43 Cb -0.40 -0.40 0.06 0.00 1.34 0.00 0.00 72.50 73.10 1lsm s THR 43 CO 0.49 -0.41 0.35 0.20 -0.54 0.00 0.00 174.62 174.71 1lsm s ASN 44 N -1.42 -0.37 0.11 3.99 0.01 -1.02 -4.98 114.94 111.27 1lsm s ASN 44 Ca -0.12 0.77 -0.16 0.00 -0.71 0.00 0.00 52.86 52.63 1lsm s ASN 44 Cb -0.09 0.70 -0.07 0.00 0.41 0.00 0.00 41.25 42.20 1lsm s ASN 44 CO -0.00 -0.19 0.56 -0.60 -1.51 0.00 0.00 177.10 175.35 1lsm s ARG 45 N 1.51 4.07 0.32 -0.60 6.06 -1.26 -0.14 118.95 128.90 1lsm s ARG 45 Ca -0.08 0.59 0.07 0.00 -2.50 0.00 0.00 55.73 53.81 1lsm s ARG 45 Cb -0.09 -3.06 -0.02 0.00 0.06 0.00 0.00 34.95 31.84 1lsm s ARG 45 CO -0.11 0.55 0.40 -0.80 -2.50 0.00 0.00 175.30 172.83 1lsm s ASN 46 N -1.46 5.84 0.21 -2.12 -0.87 0.98 -4.95 114.94 112.58 1lsm s ASN 46 Ca 0.34 -0.23 -0.08 0.00 -1.57 0.00 0.00 52.86 51.32 1lsm s ASN 46 Cb -0.17 -1.26 0.16 0.00 -0.02 0.00 0.00 41.25 39.96 1lsm s ASN 46 CO 0.19 -0.35 1.81 0.71 -2.57 0.00 0.00 177.10 176.89 1lsm h THR 47 N 1.04 1.25 0.00 1.60 1.35 -1.98 0.07 112.91 116.23 1lsm h THR 47 Ca -0.46 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1lsm h THR 47 Cb 1.25 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1lsm h THR 47 CO 0.55 0.30 0.00 -0.90 -0.25 0.00 0.00 175.52 175.22 1lsm n ASP 48 N -4.36 0.00 0.00 5.36 5.75 -1.26 -4.75 116.55 117.30 1lsm n ASP 48 Ca 0.07 0.26 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 1lsm n ASP 48 Cb 0.13 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 1lsm n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lsm n GLY 49 N -1.20 0.78 3.93 6.12 0.00 0.01 -5.03 105.19 109.80 1lsm n GLY 49 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1lsm n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lsm s SER 50 N -2.88 4.52 0.06 1.61 1.04 -1.25 -4.77 113.70 112.02 1lsm s SER 50 Ca 0.00 0.42 0.02 0.00 0.48 0.00 0.00 55.95 56.87 1lsm s SER 50 Cb 0.00 -0.95 -0.03 0.00 0.10 0.00 0.00 66.02 65.14 1lsm s SER 50 CO 0.00 -1.81 -0.08 -0.89 0.98 0.00 0.00 173.24 171.44 1lsm s THR 51 N -3.37 0.65 -0.06 2.02 2.01 -1.26 -0.01 115.64 115.61 1lsm s THR 51 Ca 0.63 -1.33 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 1lsm s THR 51 Cb -0.09 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 1lsm s THR 51 CO 0.46 -0.50 0.04 -1.81 -0.69 0.00 0.00 174.62 172.12 1lsm s ASP 52 N -1.99 5.46 -0.01 3.53 1.01 0.80 -1.14 116.67 124.33 1lsm s ASP 52 Ca -0.03 0.17 0.02 0.00 0.71 0.00 0.00 52.55 53.41 1lsm s ASP 52 Cb -0.06 -1.57 -0.00 0.00 1.01 0.00 0.00 42.92 42.30 1lsm s ASP 52 CO -0.01 0.35 -0.06 -0.31 0.21 0.00 0.00 175.17 175.35 1lsm s TYR 53 N -1.00 0.56 0.00 4.23 1.51 -0.39 -2.43 117.35 119.83 1lsm s TYR 53 Ca 0.16 -0.11 0.00 0.00 -1.01 0.00 0.00 57.07 56.12 1lsm s TYR 53 Cb -0.12 -0.37 0.00 0.00 -0.11 0.00 0.00 41.96 41.36 1lsm s TYR 53 CO 0.06 -0.02 0.00 0.41 -1.11 0.00 0.00 175.55 174.89 1lsm n GLY 54 N 3.00 -0.18 0.40 0.71 0.00 0.23 -1.82 105.19 107.53 1lsm n GLY 54 Ca -0.14 -1.88 0.20 0.00 0.00 0.00 0.00 46.02 44.20 1lsm n GLY 54 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1lsm h LEU 55 N 0.00 0.30 -2.98 0.99 3.38 -1.74 -0.05 115.31 115.21 1lsm h LEU 55 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1lsm h LEU 55 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1lsm h LEU 55 CO 0.00 0.13 0.00 0.18 0.09 0.00 0.00 178.44 178.84 1lsm n LEU 56 N -4.45 3.25 -4.06 1.67 4.77 -1.26 -3.81 117.00 113.10 1lsm n LEU 56 Ca 0.17 -2.27 -0.34 0.00 -0.03 0.00 0.00 56.01 53.55 1lsm n LEU 56 Cb 0.69 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1lsm n LEU 56 CO 0.33 0.72 -0.27 0.00 -1.33 0.00 0.00 177.39 176.84 1lsm n GLN 57 N 0.30 -1.47 -2.47 3.23 1.13 -0.03 -4.88 117.38 113.19 1lsm n GLN 57 Ca 0.15 0.23 -0.42 0.00 -1.94 0.00 0.00 57.00 55.02 1lsm n GLN 57 Cb 0.56 -3.66 -0.03 0.00 0.11 0.00 0.00 30.24 27.22 1lsm n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1lsm s ILE 58 N -3.91 4.00 0.11 5.09 1.01 -0.76 -4.25 121.20 122.49 1lsm s ILE 58 Ca 0.20 1.54 -0.29 0.00 0.00 0.00 0.00 60.65 62.09 1lsm s ILE 58 Cb -0.10 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.33 1lsm s ILE 58 CO 0.94 0.17 0.93 0.21 0.00 0.00 0.00 174.94 177.19 1lsm s ASN 59 N 0.62 7.46 0.33 3.58 3.84 -1.26 -1.27 114.94 128.25 1lsm s ASN 59 Ca 0.55 1.75 0.26 0.00 0.21 0.00 0.00 52.86 55.63 1lsm s ASN 59 Cb -0.29 -2.57 0.95 0.00 -0.55 0.00 0.00 41.25 38.78 1lsm s ASN 59 CO 0.31 -0.04 1.78 0.77 -2.79 0.00 0.00 177.10 177.13 1lsm h SER 60 N 5.49 0.00 0.29 -4.21 4.64 -1.37 -1.37 113.55 117.02 1lsm h SER 60 Ca -0.43 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.77 1lsm h SER 60 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1lsm h SER 60 CO 0.71 0.00 -0.47 -0.09 -0.87 0.00 0.00 176.83 176.11 1lsm h ARG 61 N 0.00 0.22 0.00 4.77 2.43 -1.83 -3.39 114.38 116.58 1lsm h ARG 61 Ca 0.00 -0.12 -0.17 0.00 -0.81 0.00 0.00 59.98 58.88 1lsm h ARG 61 Cb 0.57 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1lsm h ARG 61 CO 0.00 0.65 -1.62 0.91 -1.51 0.00 0.00 179.97 178.40 1lsm n TRP 62 N -3.98 0.00 -0.05 2.20 7.02 -1.19 -0.83 117.44 120.61 1lsm n TRP 62 Ca -0.02 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.46 1lsm n TRP 62 Cb 0.52 -0.41 -0.15 0.00 -2.42 0.00 0.00 31.31 28.85 1lsm n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1lsm n TRP 63 N -3.00 0.00 -3.87 -5.99 7.02 -0.52 0.63 117.44 111.70 1lsm n TRP 63 Ca -0.20 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.19 1lsm n TRP 63 Cb 0.69 -0.68 -0.08 0.00 -2.42 0.00 0.00 31.31 28.82 1lsm n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1lsm s ASN 65 N -2.52 6.35 0.00 0.00 2.47 -0.10 -4.54 114.94 116.59 1lsm s ASN 65 Ca 0.01 0.40 0.00 0.00 0.42 0.00 0.00 52.86 53.68 1lsm s ASN 65 Cb 0.02 -2.15 0.00 0.00 -1.45 0.00 0.00 41.25 37.67 1lsm s ASN 65 CO -0.08 0.12 0.74 -0.90 -3.72 0.00 0.00 177.10 173.26 1lsm n ASP 66 N 3.64 1.42 0.00 -4.21 5.68 -1.26 -0.89 116.55 120.93 1lsm n ASP 66 Ca -0.13 -1.52 0.00 0.00 -0.50 0.00 0.00 54.79 52.64 1lsm n ASP 66 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1lsm n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lsm n GLY 67 N -0.26 0.33 0.36 6.12 0.00 -1.26 -4.74 105.19 105.73 1lsm n GLY 67 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1lsm n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1lsm n ARG 68 N -1.36 0.32 -3.81 1.61 1.85 -1.26 -4.95 116.66 109.05 1lsm n ARG 68 Ca 0.00 -1.25 -0.34 0.00 -1.00 0.00 0.00 57.85 55.26 1lsm n ARG 68 Cb 0.14 -0.70 -0.11 0.00 -1.05 0.00 0.00 32.46 30.75 1lsm n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1lsm s THR 69 N -0.55 3.26 0.16 8.89 2.01 -1.26 -4.93 115.64 123.22 1lsm s THR 69 Ca 0.06 -3.06 -0.34 0.00 0.31 0.00 0.00 61.69 58.67 1lsm s THR 69 Cb 0.05 -3.18 -0.14 0.00 0.01 0.00 0.00 72.50 69.25 1lsm s THR 69 CO 0.01 -0.84 1.59 -2.65 -0.69 0.00 0.00 174.62 172.04 1lsm n PRO 70 N 3.39 2.18 -3.08 4.92 -0.02 -1.26 -1.42 135.00 139.72 1lsm n PRO 70 Ca 0.07 0.79 -0.15 0.00 -2.02 0.00 0.00 63.50 62.19 1lsm n PRO 70 Cb 0.36 -2.56 0.04 0.00 -0.02 0.00 0.00 33.50 31.32 1lsm n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lsm n GLY 71 N 3.45 0.01 3.80 -1.23 0.00 -1.26 -5.02 105.19 104.94 1lsm n GLY 71 Ca 0.17 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1lsm n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lsm s SER 72 N -3.11 7.13 0.06 1.61 0.15 -0.51 -4.94 113.70 114.10 1lsm s SER 72 Ca 0.32 1.68 0.23 0.00 0.70 0.00 0.00 55.95 58.89 1lsm s SER 72 Cb -0.14 -2.53 0.12 0.00 -1.71 0.00 0.00 66.02 61.76 1lsm s SER 72 CO 0.40 -0.15 1.10 0.54 1.20 0.00 0.00 173.24 176.32 1lsm n ARG 73 N 0.14 0.29 -3.89 5.44 1.74 -0.01 -4.96 116.66 115.40 1lsm n ARG 73 Ca 0.03 0.02 -0.28 0.00 -0.77 0.00 0.00 57.85 56.85 1lsm n ARG 73 Cb 0.52 -1.61 0.02 0.00 -1.02 0.00 0.00 32.46 30.36 1lsm n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1lsm n ASN 74 N -1.99 -3.25 -0.04 0.55 5.15 -0.92 -4.87 115.26 109.89 1lsm n ASN 74 Ca 0.02 -0.84 0.17 0.00 -0.60 0.00 0.00 54.58 53.34 1lsm n ASN 74 Cb 0.44 -3.73 0.62 0.00 -0.53 0.00 0.00 39.78 36.57 1lsm n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1lsm h LEU 75 N -1.95 0.15 -0.40 1.20 3.38 0.13 -0.04 115.31 117.78 1lsm h LEU 75 Ca -0.59 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1lsm h LEU 75 Cb 1.37 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1lsm h LEU 75 CO 0.65 0.08 -0.26 0.00 0.09 0.00 0.00 178.44 179.01 1lsm n ASN 77 N -0.79 -3.98 -3.83 0.00 4.05 -0.03 -4.97 115.26 105.71 1lsm n ASN 77 Ca 0.12 -0.46 -0.09 0.00 0.45 0.00 0.00 54.58 54.60 1lsm n ASN 77 Cb 0.34 -4.14 -0.07 0.00 1.23 0.00 0.00 39.78 37.13 1lsm n ASN 77 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1lsm s ILE 78 N -3.27 0.13 0.29 -1.44 -4.36 -1.26 -5.04 121.20 106.25 1lsm s ILE 78 Ca 0.26 -1.08 -0.29 0.00 -0.26 0.00 0.00 60.65 59.29 1lsm s ILE 78 Cb -0.12 -1.28 -0.09 0.00 1.25 0.00 0.00 42.46 42.22 1lsm s ILE 78 CO 0.58 -0.60 1.05 -2.16 0.24 0.00 0.00 174.94 174.06 1lsm s PRO 79 N -3.72 4.63 0.48 0.37 0.04 -1.26 -0.93 135.00 134.62 1lsm s PRO 79 Ca 0.04 1.69 0.21 0.00 0.04 0.00 0.00 61.00 62.97 1lsm s PRO 79 Cb 0.04 -3.12 1.23 0.00 0.04 0.00 0.00 34.50 32.68 1lsm s PRO 79 CO -0.10 0.24 1.96 0.00 0.04 0.00 0.00 177.00 179.13 1lsm h SER 81 N 0.21 0.00 0.19 0.00 4.64 -1.91 0.06 113.55 116.74 1lsm h SER 81 Ca 0.31 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 1lsm h SER 81 Cb 0.94 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1lsm h SER 81 CO -0.06 0.05 -0.03 0.00 -0.87 0.00 0.00 176.83 175.92 1lsm h ALA 82 N 1.95 1.25 0.00 5.18 0.00 -1.54 -1.46 119.26 124.63 1lsm h ALA 82 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1lsm h ALA 82 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1lsm h ALA 82 CO 0.01 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1lsm n LEU 83 N -3.49 0.00 -0.62 0.00 4.77 0.01 -3.20 117.00 114.47 1lsm n LEU 83 Ca -0.02 0.05 0.08 0.00 -0.03 0.00 0.00 56.01 56.08 1lsm n LEU 83 Cb 0.14 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1lsm n LEU 83 CO 0.26 -0.01 0.49 0.18 -1.33 0.00 0.00 177.39 176.99 1lsm n LEU 84 N -1.05 2.29 -4.70 2.23 4.77 -0.55 -4.04 117.00 115.96 1lsm n LEU 84 Ca 0.20 -0.99 -0.31 0.00 -0.03 0.00 0.00 56.01 54.87 1lsm n LEU 84 Cb 0.12 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.35 1lsm n LEU 84 CO 0.17 0.41 0.70 -0.55 -1.33 0.00 0.00 177.39 176.78 1lsm s SER 85 N -1.33 3.42 0.19 -1.43 0.15 -1.19 -4.26 113.70 109.25 1lsm s SER 85 Ca 0.18 2.12 0.26 0.00 0.70 0.00 0.00 55.95 59.21 1lsm s SER 85 Cb 0.13 -2.56 0.86 0.00 -1.71 0.00 0.00 66.02 62.75 1lsm s SER 85 CO 0.20 -2.77 1.79 -1.54 1.20 0.00 0.00 173.24 172.12 1lsm n SER 86 N -3.93 0.72 -4.56 5.45 3.41 -1.26 -4.49 113.62 108.96 1lsm n SER 86 Ca 0.11 0.57 -0.43 0.00 -0.26 0.00 0.00 58.87 58.87 1lsm n SER 86 Cb 0.52 -0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 63.65 1lsm n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1lsm s ASP 87 N -4.35 6.46 0.00 4.04 -1.08 -1.26 -4.93 116.67 115.55 1lsm s ASP 87 Ca 0.11 0.05 0.22 0.00 -0.52 0.00 0.00 52.55 52.40 1lsm s ASP 87 Cb 0.13 -2.39 1.24 0.00 -1.46 0.00 0.00 42.92 40.44 1lsm s ASP 87 CO 0.57 -0.86 1.70 2.30 0.52 0.00 0.00 175.17 179.41 1lsm n ILE 88 N 6.04 0.13 -0.20 4.11 -5.35 -1.26 -4.32 119.36 118.51 1lsm n ILE 88 Ca 0.03 0.03 -0.02 0.00 -0.27 0.00 0.00 62.75 62.52 1lsm n ILE 88 Cb 0.48 -0.68 0.05 0.00 -1.74 0.00 0.00 39.64 37.75 1lsm n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1lsm h THR 89 N 0.00 0.33 -0.59 7.28 2.02 -1.94 0.60 112.91 120.61 1lsm h THR 89 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1lsm h THR 89 Cb 0.08 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 1lsm h THR 89 CO 0.00 0.00 0.18 0.00 0.37 0.00 0.00 175.52 176.07 1lsm h ALA 90 N 1.48 1.21 -0.22 6.16 0.00 -1.85 -0.13 119.26 125.91 1lsm h ALA 90 Ca 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1lsm h ALA 90 Cb 0.48 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1lsm h ALA 90 CO -0.64 0.56 0.10 1.15 0.00 0.00 0.00 179.25 180.41 1lsm h THR 91 N 0.86 1.15 -0.25 0.00 2.02 -1.62 -0.82 112.91 114.24 1lsm h THR 91 Ca 0.19 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1lsm h THR 91 Cb 0.25 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1lsm h THR 91 CO -0.01 0.14 0.13 0.58 0.37 0.00 0.00 175.52 176.73 1lsm h VAL 92 N 0.22 1.13 -0.67 3.16 2.07 -0.48 0.91 116.25 122.59 1lsm h VAL 92 Ca 0.08 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1lsm h VAL 92 Cb 0.14 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1lsm h VAL 92 CO -0.01 0.13 0.19 0.78 0.02 0.00 0.00 177.57 178.69 1lsm h ASN 93 N 0.28 0.97 -0.42 0.57 -0.26 -0.88 -1.61 115.58 114.22 1lsm h ASN 93 Ca 0.09 -0.18 -0.14 0.00 -0.56 0.00 0.00 56.30 55.51 1lsm h ASN 93 Cb 0.10 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.10 1lsm h ASN 93 CO -0.01 0.91 -0.29 0.00 -1.06 0.00 0.00 177.43 176.98 1lsm h ALA 95 N 0.81 1.47 -0.94 0.00 0.00 -0.36 -1.60 119.26 118.64 1lsm h ALA 95 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1lsm h ALA 95 Cb 0.88 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1lsm h ALA 95 CO 0.08 0.45 0.57 0.87 0.00 0.00 0.00 179.25 181.21 1lsm h LYS 96 N 1.07 1.28 -0.25 0.00 1.57 -1.26 0.94 116.57 119.92 1lsm h LYS 96 Ca 0.34 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 1lsm h LYS 96 Cb 0.03 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 1lsm h LYS 96 CO -0.10 0.89 -0.08 0.87 -0.57 0.00 0.00 179.45 180.46 1lsm h LYS 97 N 1.30 0.50 -0.14 3.15 1.79 -1.22 -2.93 116.57 119.02 1lsm h LYS 97 Ca 0.34 -0.20 -0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1lsm h LYS 97 Cb -0.06 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 1lsm h LYS 97 CO -0.06 0.74 0.08 0.82 -1.08 0.00 0.00 179.45 179.95 1lsm h ILE 98 N 0.23 1.08 0.00 1.86 2.04 -0.99 -2.36 117.51 119.37 1lsm h ILE 98 Ca 0.06 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1lsm h ILE 98 Cb 0.57 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1lsm h ILE 98 CO 0.03 0.07 0.00 1.62 0.00 0.00 0.00 178.15 179.87 1lsm h VAL 99 N 0.15 0.00 -0.01 1.67 3.04 -0.86 -0.73 116.25 119.51 1lsm h VAL 99 Ca 0.05 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 1lsm h VAL 99 Cb 0.04 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 1lsm h VAL 99 CO -0.01 0.00 -0.31 -1.20 -1.01 0.00 0.00 177.57 175.05 1lsm n SER 100 N -2.64 1.19 0.00 3.17 7.64 -0.92 -3.48 113.62 118.58 1lsm n SER 100 Ca 0.00 -0.99 0.07 0.00 1.01 0.00 0.00 58.87 58.97 1lsm n SER 100 Cb 0.20 0.20 0.42 0.00 -1.01 0.00 0.00 64.21 64.03 1lsm n SER 100 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1lsm n SER 101 N -0.56 0.00 0.00 6.43 3.41 -0.28 -4.90 113.62 117.71 1lsm n SER 101 Ca 0.11 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.37 1lsm n SER 101 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1lsm n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lsm n GLY 102 N 0.60 3.70 1.53 5.00 0.00 -1.26 -4.91 105.19 109.85 1lsm n GLY 102 Ca 0.11 -0.83 0.09 0.00 0.00 0.00 0.00 46.02 45.39 1lsm n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1lsm n ASN 103 N 0.00 4.69 0.00 1.61 4.13 -1.26 -5.05 115.26 119.38 1lsm n ASN 103 Ca 0.00 -2.46 0.00 0.00 1.68 0.00 0.00 54.58 53.80 1lsm n ASN 103 Cb 0.00 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 37.67 1lsm n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1lsm n GLY 104 N 1.04 2.25 0.00 7.41 0.00 -1.23 -1.54 105.19 113.12 1lsm n GLY 104 Ca 0.25 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1lsm n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1lsm n MET 105 N 8.64 0.40 0.12 1.61 2.81 -1.26 -3.18 117.12 126.26 1lsm n MET 105 Ca 0.00 0.06 0.10 0.00 -1.81 0.00 0.00 57.70 56.04 1lsm n MET 105 Cb 0.00 -1.50 0.47 0.00 -0.71 0.00 0.00 33.22 31.48 1lsm n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1lsm n ASN 106 N -1.24 0.49 0.30 7.83 3.02 -0.59 -1.42 115.26 123.64 1lsm n ASN 106 Ca 0.12 0.69 0.16 0.00 -0.03 0.00 0.00 54.58 55.52 1lsm n ASN 106 Cb 0.16 -0.77 0.92 0.00 -0.61 0.00 0.00 39.78 39.49 1lsm n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lsm h ALA 107 N 2.10 1.40 -2.34 5.41 0.00 -1.70 -3.35 119.26 120.78 1lsm h ALA 107 Ca 0.00 -0.02 -0.73 0.00 0.00 0.00 0.00 54.91 54.16 1lsm h ALA 107 Cb 0.12 -0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.68 1lsm h ALA 107 CO 0.00 0.03 -0.33 -1.58 0.00 0.00 0.00 179.25 177.37 1lsm s TRP 108 N -4.47 3.23 0.25 0.00 0.51 -0.51 -4.95 118.94 113.01 1lsm s TRP 108 Ca -0.04 -0.82 -0.03 0.00 -2.12 0.00 0.00 56.10 53.08 1lsm s TRP 108 Cb 0.14 -3.06 0.42 0.00 -0.81 0.00 0.00 33.47 30.16 1lsm s TRP 108 CO 0.54 -0.76 1.83 -0.24 -0.51 0.00 0.00 176.95 177.81 1lsm h VAL 109 N 5.73 0.96 -0.01 4.03 3.04 -1.85 -0.96 116.25 127.19 1lsm h VAL 109 Ca -0.28 -0.32 -0.07 0.00 -1.01 0.00 0.00 66.70 65.03 1lsm h VAL 109 Cb 1.11 -0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 1lsm h VAL 109 CO 0.85 0.17 -0.31 0.00 -1.01 0.00 0.00 177.57 177.27 1lsm h ALA 110 N 1.46 1.47 -0.16 3.17 0.00 -1.93 0.25 119.26 123.53 1lsm h ALA 110 Ca 0.42 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1lsm h ALA 110 Cb 0.33 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1lsm h ALA 110 CO -0.23 0.40 -0.21 2.35 0.00 0.00 0.00 179.25 181.56 1lsm h TRP 111 N 0.01 0.52 -0.17 0.00 7.01 -1.53 0.24 115.95 122.03 1lsm h TRP 111 Ca -0.00 -0.17 0.00 0.00 2.11 0.00 0.00 58.89 60.83 1lsm h TRP 111 Cb 0.56 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.51 1lsm h TRP 111 CO 0.00 0.83 0.11 -0.09 -2.79 0.00 0.00 178.44 176.50 1lsm h ARG 112 N 0.05 0.22 0.00 2.65 2.43 -0.68 0.43 114.38 119.49 1lsm h ARG 112 Ca 0.02 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 1lsm h ARG 112 Cb 0.77 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1lsm h ARG 112 CO 0.05 0.15 -0.42 -0.91 -1.51 0.00 0.00 179.97 177.32 1lsm h ASN 113 N 0.23 0.00 0.00 -3.80 2.35 -0.48 -3.36 115.58 110.51 1lsm h ASN 113 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1lsm h ASN 113 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1lsm h ASN 113 CO -0.01 0.42 0.00 0.54 -1.65 0.00 0.00 177.43 176.73 1lsm n ARG 114 N -3.35 2.82 -0.04 0.81 1.74 0.82 -4.89 116.66 114.57 1lsm n ARG 114 Ca 0.01 -0.07 -0.07 0.00 -0.77 0.00 0.00 57.85 56.95 1lsm n ARG 114 Cb 0.62 -0.39 -0.03 0.00 -1.02 0.00 0.00 32.46 31.63 1lsm n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lsm n LYS 116 N -3.06 1.54 -0.97 0.00 4.81 0.10 -1.61 118.16 118.98 1lsm n LYS 116 Ca -0.16 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 1lsm n LYS 116 Cb 0.64 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.44 1lsm n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1lsm n GLY 117 N 2.86 0.44 3.95 3.14 0.00 -1.26 -4.96 105.19 109.35 1lsm n GLY 117 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1lsm n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lsm s THR 118 N -2.01 1.94 -1.01 2.61 -4.23 -0.63 -4.98 115.64 107.32 1lsm s THR 118 Ca 0.00 -1.30 -0.19 0.00 -1.18 0.00 0.00 61.69 59.01 1lsm s THR 118 Cb 0.00 -2.24 0.11 0.00 1.34 0.00 0.00 72.50 71.71 1lsm s THR 118 CO 0.00 0.00 1.30 -0.62 -0.54 0.00 0.00 174.62 174.76 1lsm s ASP 119 N -4.40 6.65 0.34 3.99 2.15 -1.26 -4.76 116.67 119.38 1lsm s ASP 119 Ca 0.45 -1.99 0.27 0.00 0.43 0.00 0.00 52.55 51.70 1lsm s ASP 119 Cb -0.04 -2.46 1.04 0.00 -0.30 0.00 0.00 42.92 41.16 1lsm s ASP 119 CO 0.28 -1.17 1.79 -0.37 -0.17 0.00 0.00 175.17 175.53 1lsm h VAL 120 N 5.99 0.00 0.00 1.11 -1.51 -1.90 -2.90 116.25 117.03 1lsm h VAL 120 Ca 0.21 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 1lsm h VAL 120 Cb 0.99 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1lsm h VAL 120 CO 1.24 0.00 0.00 1.67 -1.23 0.00 0.00 177.57 179.25 1lsm n GLN 121 N -2.51 0.16 0.26 5.19 0.00 -1.26 -0.32 117.38 118.90 1lsm n GLN 121 Ca 0.02 0.58 0.15 0.00 -0.00 0.00 0.00 57.00 57.75 1lsm n GLN 121 Cb 0.29 -1.93 0.68 0.00 0.00 0.00 0.00 30.24 29.27 1lsm n GLN 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1lsm h ALA 122 N 2.07 1.06 0.00 1.69 0.00 -1.90 -2.74 119.26 119.44 1lsm h ALA 122 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1lsm h ALA 122 Cb 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1lsm h ALA 122 CO 0.00 0.11 -0.10 -1.49 0.00 0.00 0.00 179.25 177.77 1lsm h TRP 123 N 0.00 0.00 -0.04 0.00 4.06 -0.91 -3.13 115.95 115.93 1lsm h TRP 123 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1lsm h TRP 123 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.66 1lsm h TRP 123 CO 0.00 0.10 0.00 0.44 -3.56 0.00 0.00 178.44 175.42 1lsm n ILE 124 N -3.55 0.12 -1.97 1.49 -5.35 -1.05 -4.77 119.36 104.28 1lsm n ILE 124 Ca -0.02 -0.56 -0.42 0.00 -0.27 0.00 0.00 62.75 61.49 1lsm n ILE 124 Cb 0.23 1.10 -0.03 0.00 -1.74 0.00 0.00 39.64 39.20 1lsm n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1lsm s ARG 125 N -0.75 4.23 0.00 6.28 3.52 -1.15 -1.50 118.95 129.58 1lsm s ARG 125 Ca 0.11 2.32 0.00 0.00 -0.13 0.00 0.00 55.73 58.03 1lsm s ARG 125 Cb 0.07 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.30 1lsm s ARG 125 CO 0.11 -0.57 0.00 0.41 -0.81 0.00 0.00 175.30 174.44 1lsm n GLY 126 N 3.62 1.05 3.81 8.12 0.00 -1.26 -5.02 105.19 115.50 1lsm n GLY 126 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1lsm n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lsm s ARG 128 N -1.33 3.27 0.00 0.00 3.52 -1.26 -5.12 118.95 118.03 1lsm s ARG 128 Ca 0.34 -0.85 0.00 0.00 -0.13 0.00 0.00 55.73 55.08 1lsm s ARG 128 Cb -0.20 -4.48 0.00 0.00 -1.56 0.00 0.00 34.95 28.72 1lsm s ARG 128 CO 0.21 -1.96 0.36 1.28 -0.81 0.00 0.00 175.30 174.39