#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lma s VAL 2 N 0.00 5.18 0.50 0.58 1.01 -1.26 -0.60 120.40 125.81 1lma s VAL 2 Ca 0.00 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1lma s VAL 2 Cb 0.00 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 1lma s VAL 2 CO 0.00 -0.36 1.01 -0.36 0.00 0.00 0.00 175.10 175.39 1lma s PHE 3 N 1.90 3.15 0.50 5.22 0.40 -0.26 -5.02 117.98 123.87 1lma s PHE 3 Ca 0.08 1.55 -0.09 0.00 -0.60 0.00 0.00 56.93 57.87 1lma s PHE 3 Cb -0.18 -2.96 -0.05 0.00 0.51 0.00 0.00 43.02 40.35 1lma s PHE 3 CO 0.12 -0.66 0.86 0.20 0.70 0.00 0.00 175.22 176.44 1lma s GLY 4 N -2.41 1.69 0.02 4.36 0.00 -1.26 -4.86 107.32 104.85 1lma s GLY 4 Ca 0.64 -0.27 -0.25 0.00 0.00 0.00 0.00 44.72 44.84 1lma s GLY 4 CO 0.24 -0.06 1.42 -0.09 0.00 0.00 0.00 173.10 174.61 1lma h ARG 5 N 0.39 -0.02 -0.42 2.90 2.43 -1.97 -0.97 114.38 116.72 1lma h ARG 5 Ca -0.46 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.60 1lma h ARG 5 Cb 1.20 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 1lma h ARG 5 CO 0.62 0.31 -0.19 0.00 -1.51 0.00 0.00 179.97 179.19 1lma h GLU 7 N 0.72 0.08 -0.38 0.00 4.81 -1.95 -0.39 114.58 117.48 1lma h GLU 7 Ca 0.10 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.18 1lma h GLU 7 Cb 0.71 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1lma h GLU 7 CO 0.05 0.06 -0.34 1.25 -0.73 0.00 0.00 179.01 179.30 1lma h LEU 8 N 0.09 0.91 -0.34 1.64 5.85 -1.13 -2.67 115.31 119.65 1lma h LEU 8 Ca 0.07 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.45 1lma h LEU 8 Cb 0.06 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1lma h LEU 8 CO -0.09 1.16 0.02 0.00 -0.34 0.00 0.00 178.44 179.18 1lma h ALA 9 N 0.89 0.33 -0.29 1.25 0.00 -0.83 -0.87 119.26 119.74 1lma h ALA 9 Ca 0.07 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1lma h ALA 9 Cb 0.91 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1lma h ALA 9 CO 0.08 -0.39 0.15 0.00 0.00 0.00 0.00 179.25 179.10 1lma h ALA 10 N 1.29 0.35 -0.71 0.00 0.00 -1.00 -0.86 119.26 118.33 1lma h ALA 10 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1lma h ALA 10 Cb 0.22 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1lma h ALA 10 CO -0.26 -0.24 0.37 0.00 0.00 0.00 0.00 179.25 179.12 1lma h ALA 11 N 1.14 0.97 -0.54 0.00 0.00 -1.08 -0.72 119.26 119.02 1lma h ALA 11 Ca 0.12 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1lma h ALA 11 Cb 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1lma h ALA 11 CO -0.07 0.01 0.06 0.52 0.00 0.00 0.00 179.25 179.76 1lma h MET 12 N 0.65 0.92 -0.69 0.00 2.86 -0.64 -2.34 114.93 115.69 1lma h MET 12 Ca 0.34 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 1lma h MET 12 Cb 0.30 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 1lma h MET 12 CO -0.23 0.90 0.13 -0.22 1.06 0.00 0.00 176.91 178.55 1lma h LYS 13 N 0.80 1.13 -0.91 1.72 3.64 -0.42 -1.20 116.57 121.34 1lma h LYS 13 Ca 0.16 -0.29 0.08 0.00 -1.27 0.00 0.00 60.65 59.33 1lma h LYS 13 Cb 0.45 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 1lma h LYS 13 CO 0.02 1.02 0.56 0.00 -2.27 0.00 0.00 179.45 178.78 1lma h ARG 14 N 1.06 0.93 -0.01 1.90 3.08 -0.99 0.18 114.38 120.54 1lma h ARG 14 Ca 0.21 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1lma h ARG 14 Cb 0.42 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1lma h ARG 14 CO 0.01 0.62 0.00 0.72 -1.07 0.00 0.00 179.97 180.25 1lma n HIS 15 N -4.63 0.01 -3.02 3.04 8.25 -0.90 -4.94 115.22 113.03 1lma n HIS 15 Ca 0.15 -0.01 -0.12 0.00 -0.26 0.00 0.00 57.72 57.48 1lma n HIS 15 Cb 0.25 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.40 1lma n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lma n GLY 16 N 0.95 0.09 0.07 -1.41 0.00 0.64 -4.98 105.19 100.56 1lma n GLY 16 Ca 0.20 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1lma n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lma n LEU 17 N -2.93 0.64 -4.61 0.99 4.77 -0.53 -4.44 117.00 110.90 1lma n LEU 17 Ca -0.04 0.41 -0.43 0.00 -0.03 0.00 0.00 56.01 55.93 1lma n LEU 17 Cb 0.55 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1lma n LEU 17 CO 0.35 -0.09 1.57 -0.62 -1.33 0.00 0.00 177.39 177.27 1lma s ASP 18 N -4.11 5.93 -0.29 -1.43 2.15 -1.26 -1.87 116.67 115.79 1lma s ASP 18 Ca 0.10 1.57 0.00 0.00 0.43 0.00 0.00 52.55 54.65 1lma s ASP 18 Cb 0.14 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1lma s ASP 18 CO 0.63 -1.63 0.00 0.59 -0.17 0.00 0.00 175.17 174.59 1lma n ASN 19 N 10.05 -4.04 -4.66 -0.34 5.03 0.36 -4.87 115.26 116.79 1lma n ASN 19 Ca 0.23 0.07 -0.42 0.00 0.87 0.00 0.00 54.58 55.33 1lma n ASN 19 Cb 0.46 -1.78 -0.03 0.00 -1.02 0.00 0.00 39.78 37.41 1lma n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1lma s TYR 20 N -1.86 1.49 -1.38 3.10 5.04 -0.78 -1.29 117.35 121.66 1lma s TYR 20 Ca 0.00 -0.24 -0.02 0.00 -2.44 0.00 0.00 57.07 54.36 1lma s TYR 20 Cb 0.00 -4.14 0.01 0.00 0.35 0.00 0.00 41.96 38.18 1lma s TYR 20 CO 0.00 -5.02 0.19 0.54 -1.34 0.00 0.00 175.55 169.92 1lma n ARG 21 N 7.45 -2.79 -1.29 4.97 5.12 -1.26 -2.20 116.66 126.66 1lma n ARG 21 Ca 0.19 0.75 -0.01 0.00 -1.93 0.00 0.00 57.85 56.85 1lma n ARG 21 Cb 0.42 -5.43 -0.00 0.00 -1.16 0.00 0.00 32.46 26.28 1lma n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1lma n GLY 22 N -1.06 0.41 3.19 -0.13 0.00 -0.41 -5.05 105.19 102.14 1lma n GLY 22 Ca -0.15 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.52 1lma n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lma s TYR 23 N -2.03 3.18 0.91 1.61 2.02 -0.93 -4.95 117.35 117.16 1lma s TYR 23 Ca 0.00 -1.73 -0.10 0.00 -0.37 0.00 0.00 57.07 54.87 1lma s TYR 23 Cb 0.00 -2.09 0.14 0.00 -0.40 0.00 0.00 41.96 39.62 1lma s TYR 23 CO 0.00 -0.77 1.14 -1.54 -1.57 0.00 0.00 175.55 172.81 1lma s SER 24 N 1.28 2.99 0.23 2.29 1.04 -1.26 -0.49 113.70 119.79 1lma s SER 24 Ca -0.03 2.15 -0.07 0.00 0.48 0.00 0.00 55.95 58.48 1lma s SER 24 Cb -0.18 -2.56 0.41 0.00 0.10 0.00 0.00 66.02 63.79 1lma s SER 24 CO -0.02 -3.06 1.68 0.25 0.98 0.00 0.00 173.24 173.07 1lma h LEU 25 N -1.84 -0.04 -1.61 2.42 5.85 -1.90 -1.69 115.31 116.50 1lma h LEU 25 Ca -0.44 0.14 0.26 0.00 0.84 0.00 0.00 57.88 58.68 1lma h LEU 25 Cb 1.27 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.43 1lma h LEU 25 CO 0.42 -0.05 0.67 1.23 -0.34 0.00 0.00 178.44 180.38 1lma h GLY 26 N 0.24 0.72 1.03 3.75 0.00 -1.91 -1.58 103.07 105.32 1lma h GLY 26 Ca 0.39 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 1lma h GLY 26 CO -0.50 -0.05 0.33 3.43 0.00 0.00 0.00 176.54 179.75 1lma h ASN 27 N 0.27 1.03 -0.23 0.19 2.35 -1.57 -2.18 115.58 115.44 1lma h ASN 27 Ca 0.52 -0.16 -0.19 0.00 -0.55 0.00 0.00 56.30 55.92 1lma h ASN 27 Cb 1.54 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1lma h ASN 27 CO -0.17 0.90 -0.59 -0.50 -1.65 0.00 0.00 177.43 175.42 1lma h TRP 28 N 1.09 1.07 -0.27 1.19 4.06 -1.43 0.54 115.95 122.20 1lma h TRP 28 Ca 0.26 -0.40 -0.13 0.00 2.06 0.00 0.00 58.89 60.68 1lma h TRP 28 Cb 0.17 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.13 1lma h TRP 28 CO 0.01 1.22 -0.37 0.28 -3.56 0.00 0.00 178.44 176.03 1lma h VAL 29 N 0.63 1.29 -0.24 1.49 2.07 -1.46 -1.62 116.25 118.41 1lma h VAL 29 Ca 0.00 -1.51 -0.04 0.00 0.82 0.00 0.00 66.70 65.97 1lma h VAL 29 Cb 1.20 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 1lma h VAL 29 CO 0.13 0.48 -0.00 0.00 0.02 0.00 0.00 177.57 178.20 1lma h ALA 31 N 0.80 0.73 -0.50 0.00 0.00 -0.71 -2.71 119.26 116.87 1lma h ALA 31 Ca 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1lma h ALA 31 Cb 0.41 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1lma h ALA 31 CO 0.01 0.19 0.14 0.00 0.00 0.00 0.00 179.25 179.59 1lma h ALA 32 N 1.19 0.66 -0.33 0.00 0.00 -1.25 -0.64 119.26 118.90 1lma h ALA 32 Ca 0.21 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1lma h ALA 32 Cb -0.05 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 1lma h ALA 32 CO -0.04 0.34 -0.13 -0.22 0.00 0.00 0.00 179.25 179.19 1lma h LYS 33 N 0.69 -0.07 0.00 0.00 1.63 -1.25 0.56 116.57 118.13 1lma h LYS 33 Ca 0.16 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.83 1lma h LYS 33 Cb 0.30 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.93 1lma h LYS 33 CO -0.00 -0.05 -0.79 0.74 -3.45 0.00 0.00 179.45 175.90 1lma h PHE 34 N -0.07 0.00 0.00 1.91 0.04 -1.45 -1.70 116.94 115.67 1lma h PHE 34 Ca 0.17 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.94 1lma h PHE 34 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1lma h PHE 34 CO -0.35 0.61 -0.00 0.93 -0.60 0.00 0.00 178.31 178.90 1lma h GLU 35 N 0.00 -0.00 0.00 1.51 4.39 -0.64 -3.43 114.58 116.41 1lma h GLU 35 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1lma h GLU 35 Cb 1.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 1lma h GLU 35 CO 0.07 0.83 0.00 -1.13 -1.16 0.00 0.00 179.01 177.62 1lma n SER 36 N -4.64 0.64 -1.69 1.42 3.41 0.19 -4.89 113.62 108.06 1lma n SER 36 Ca -0.08 -0.96 -0.14 0.00 -0.26 0.00 0.00 58.87 57.43 1lma n SER 36 Cb 0.40 0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1lma n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1lma n ASN 37 N -0.05 -4.43 -1.86 4.04 5.15 -0.64 -1.90 115.26 115.58 1lma n ASN 37 Ca 0.00 -0.03 -0.19 0.00 -0.60 0.00 0.00 54.58 53.76 1lma n ASN 37 Cb 0.07 -3.56 -0.04 0.00 -0.53 0.00 0.00 39.78 35.73 1lma n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1lma n PHE 38 N -4.02 -0.54 -3.43 1.20 3.72 -1.19 -4.84 117.46 108.34 1lma n PHE 38 Ca -0.16 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.83 1lma n PHE 38 Cb 0.63 -3.47 -0.10 0.00 -0.94 0.00 0.00 39.48 35.60 1lma n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1lma s ASN 39 N -2.41 6.15 0.55 4.37 3.84 -0.80 -1.10 114.94 125.54 1lma s ASN 39 Ca 0.00 -0.34 0.28 0.00 0.21 0.00 0.00 52.86 53.01 1lma s ASN 39 Cb 0.00 -2.18 1.60 0.00 -0.55 0.00 0.00 41.25 40.12 1lma s ASN 39 CO 0.00 -0.33 2.15 0.71 -2.79 0.00 0.00 177.10 176.84 1lma h THR 40 N 5.54 0.57 -0.57 -5.21 1.35 -1.19 -2.70 112.91 110.71 1lma h THR 40 Ca -0.30 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1lma h THR 40 Cb 1.14 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1lma h THR 40 CO 0.69 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 176.02 1lma n GLN 41 N -3.75 2.35 -1.73 4.72 6.02 -1.26 -3.86 117.38 119.88 1lma n GLN 41 Ca -0.02 -2.10 -0.42 0.00 -0.01 0.00 0.00 57.00 54.45 1lma n GLN 41 Cb 0.17 -1.46 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 1lma n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lma n ALA 42 N 1.21 2.82 -2.98 -1.58 0.00 -1.02 -4.80 120.51 114.17 1lma n ALA 42 Ca 0.20 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.87 1lma n ALA 42 Cb 0.50 -2.52 -0.15 0.00 0.00 0.00 0.00 19.45 17.28 1lma n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1lma s THR 43 N 0.94 0.38 -0.08 0.00 -4.23 -1.26 -1.47 115.64 109.93 1lma s THR 43 Ca 0.73 -0.17 -0.00 0.00 -1.18 0.00 0.00 61.69 61.07 1lma s THR 43 Cb -0.50 -0.35 0.02 0.00 1.34 0.00 0.00 72.50 73.02 1lma s THR 43 CO 0.35 0.13 -0.04 0.21 -0.54 0.00 0.00 174.62 174.73 1lma s ASN 44 N 0.13 1.59 -0.27 3.99 2.47 -0.33 -5.00 114.94 117.53 1lma s ASN 44 Ca -0.01 -0.16 -0.15 0.00 0.42 0.00 0.00 52.86 52.96 1lma s ASN 44 Cb -0.05 -0.57 -0.04 0.00 -1.45 0.00 0.00 41.25 39.15 1lma s ASN 44 CO -0.00 -0.13 0.36 -0.60 -3.72 0.00 0.00 177.10 173.01 1lma s ARG 45 N 1.57 4.02 0.76 0.43 6.06 -1.26 -1.07 118.95 129.46 1lma s ARG 45 Ca -0.00 0.02 -0.09 0.00 -2.50 0.00 0.00 55.73 53.16 1lma s ARG 45 Cb -0.13 -3.65 0.08 0.00 0.06 0.00 0.00 34.95 31.30 1lma s ARG 45 CO -0.04 -0.26 1.10 -0.80 -2.50 0.00 0.00 175.30 172.80 1lma s ASN 46 N 1.62 4.60 0.47 -2.12 0.01 0.63 -4.99 114.94 115.16 1lma s ASN 46 Ca 0.14 0.59 0.28 0.00 -0.71 0.00 0.00 52.86 53.16 1lma s ASN 46 Cb -0.16 -1.14 0.86 0.00 0.41 0.00 0.00 41.25 41.22 1lma s ASN 46 CO 0.10 -1.79 1.79 0.74 -1.51 0.00 0.00 177.10 176.43 1lma h THR 47 N -0.85 0.00 -0.50 1.60 2.02 -1.98 -3.33 112.91 109.88 1lma h THR 47 Ca -0.45 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.02 1lma h THR 47 Cb 1.32 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 1lma h THR 47 CO 0.62 0.00 0.00 -0.90 0.37 0.00 0.00 175.52 175.61 1lma n ASP 48 N -3.00 4.91 0.00 4.18 5.75 -1.26 -4.90 116.55 122.23 1lma n ASP 48 Ca 0.02 -2.73 0.00 0.00 -0.01 0.00 0.00 54.79 52.07 1lma n ASP 48 Cb 0.41 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 1lma n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lma n GLY 49 N 0.60 2.02 3.92 6.12 0.00 -1.25 -4.72 105.19 111.88 1lma n GLY 49 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 1lma n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lma s SER 50 N -3.11 6.34 0.02 1.61 1.04 -1.26 -4.34 113.70 114.00 1lma s SER 50 Ca 0.00 0.71 0.02 0.00 0.48 0.00 0.00 55.95 57.16 1lma s SER 50 Cb 0.00 -2.14 -0.02 0.00 0.10 0.00 0.00 66.02 63.96 1lma s SER 50 CO 0.00 -0.36 -0.07 -0.89 0.98 0.00 0.00 173.24 172.91 1lma s THR 51 N -2.38 0.50 -0.21 2.02 2.01 -1.26 -0.27 115.64 116.05 1lma s THR 51 Ca 0.44 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.62 1lma s THR 51 Cb -0.10 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 1lma s THR 51 CO 0.37 -0.19 0.03 -1.81 -0.69 0.00 0.00 174.62 172.33 1lma s ASP 52 N -1.03 5.02 0.00 3.53 1.01 -0.23 -0.96 116.67 124.01 1lma s ASP 52 Ca -0.05 -0.17 0.07 0.00 0.71 0.00 0.00 52.55 53.11 1lma s ASP 52 Cb -0.07 -1.87 -0.02 0.00 1.01 0.00 0.00 42.92 41.97 1lma s ASP 52 CO 0.00 0.05 -0.22 -0.31 0.21 0.00 0.00 175.17 174.89 1lma s TYR 53 N 1.12 1.98 0.00 4.23 1.51 -0.05 -1.19 117.35 124.96 1lma s TYR 53 Ca 0.03 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 1lma s TYR 53 Cb -0.14 -1.25 0.00 0.00 -0.11 0.00 0.00 41.96 40.46 1lma s TYR 53 CO 0.02 0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.88 1lma n GLY 54 N 2.32 -1.83 0.32 0.71 0.00 -0.54 -1.60 105.19 104.56 1lma n GLY 54 Ca -0.16 -1.36 0.20 0.00 0.00 0.00 0.00 46.02 44.70 1lma n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1lma h ILE 55 N 0.00 0.16 -0.14 -0.61 2.10 -1.67 -1.64 117.51 115.72 1lma h ILE 55 Ca 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.82 1lma h ILE 55 Cb 0.00 1.10 0.00 0.00 -1.09 0.00 0.00 36.82 36.83 1lma h ILE 55 CO 0.00 0.01 0.00 0.18 -1.08 0.00 0.00 178.15 177.26 1lma n LEU 56 N -3.29 2.31 -4.24 2.19 4.77 -1.26 -4.03 117.00 113.46 1lma n LEU 56 Ca -0.02 -1.91 -0.37 0.00 -0.03 0.00 0.00 56.01 53.68 1lma n LEU 56 Cb 0.12 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 1lma n LEU 56 CO 0.23 0.57 -0.37 0.00 -1.33 0.00 0.00 177.39 176.49 1lma n GLN 57 N -0.03 -0.70 -2.33 3.23 1.13 -0.62 -4.90 117.38 113.17 1lma n GLN 57 Ca 0.05 0.08 -0.41 0.00 -1.94 0.00 0.00 57.00 54.78 1lma n GLN 57 Cb 0.31 -3.20 -0.03 0.00 0.11 0.00 0.00 30.24 27.42 1lma n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1lma s ILE 58 N -4.10 3.48 0.11 5.09 1.01 -0.63 -4.37 121.20 121.79 1lma s ILE 58 Ca 0.17 1.23 -0.27 0.00 0.00 0.00 0.00 60.65 61.78 1lma s ILE 58 Cb -0.09 -3.78 -0.07 0.00 0.01 0.00 0.00 42.46 38.53 1lma s ILE 58 CO 0.99 0.19 0.83 0.21 0.00 0.00 0.00 174.94 177.16 1lma s ASN 59 N 0.24 7.36 0.07 3.58 3.84 -1.26 -0.87 114.94 127.91 1lma s ASN 59 Ca 0.54 1.62 0.24 0.00 0.21 0.00 0.00 52.86 55.47 1lma s ASN 59 Cb -0.34 -2.52 0.96 0.00 -0.55 0.00 0.00 41.25 38.81 1lma s ASN 59 CO 0.37 0.06 1.75 -1.54 -2.79 0.00 0.00 177.10 174.95 1lma n SER 60 N 2.36 0.24 0.13 -4.21 3.41 -0.13 -2.26 113.62 113.15 1lma n SER 60 Ca -0.02 0.54 -0.14 0.00 -0.26 0.00 0.00 58.87 58.99 1lma n SER 60 Cb 0.49 -0.60 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 1lma n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1lma h ARG 61 N 0.00 -0.28 0.00 4.33 2.43 -1.82 -3.37 114.38 115.68 1lma h ARG 61 Ca 0.00 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1lma h ARG 61 Cb 0.46 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1lma h ARG 61 CO 0.00 -0.06 -1.57 0.91 -1.51 0.00 0.00 179.97 177.74 1lma n TRP 62 N -5.14 0.00 -0.10 2.20 7.02 -1.25 -1.46 117.44 118.71 1lma n TRP 62 Ca -0.09 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.27 1lma n TRP 62 Cb 0.19 -0.37 -0.15 0.00 -2.42 0.00 0.00 31.31 28.56 1lma n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1lma n TRP 63 N -2.15 0.12 -4.19 -5.99 7.02 -0.96 0.45 117.44 111.74 1lma n TRP 63 Ca -0.10 0.04 -0.11 0.00 -1.02 0.00 0.00 57.50 56.31 1lma n TRP 63 Cb 0.59 -1.02 -0.10 0.00 -2.42 0.00 0.00 31.31 28.36 1lma n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1lma s ASN 65 N -3.09 5.47 0.00 0.00 2.47 0.10 -4.53 114.94 115.36 1lma s ASN 65 Ca 0.20 -0.17 0.04 0.00 0.42 0.00 0.00 52.86 53.35 1lma s ASN 65 Cb 0.06 -2.00 0.03 0.00 -1.45 0.00 0.00 41.25 37.90 1lma s ASN 65 CO 0.00 -0.06 0.61 -0.90 -3.72 0.00 0.00 177.10 173.04 1lma n ASP 66 N 4.98 1.30 0.00 -4.21 5.68 -1.26 -0.85 116.55 122.19 1lma n ASP 66 Ca -0.15 -1.15 0.00 0.00 -0.50 0.00 0.00 54.79 52.99 1lma n ASP 66 Cb 0.51 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1lma n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lma n GLY 67 N 0.24 0.73 0.18 6.12 0.00 -1.26 -4.84 105.19 106.36 1lma n GLY 67 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 1lma n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1lma n ARG 68 N -2.05 0.62 -4.46 1.61 1.85 -1.26 -5.07 116.66 107.89 1lma n ARG 68 Ca 0.00 -1.11 -0.34 0.00 -1.00 0.00 0.00 57.85 55.41 1lma n ARG 68 Cb 0.02 -0.71 -0.12 0.00 -1.05 0.00 0.00 32.46 30.59 1lma n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1lma s THR 69 N -0.54 3.75 0.62 8.89 2.01 -1.26 -4.87 115.64 124.24 1lma s THR 69 Ca 0.04 -0.41 -0.17 0.00 0.31 0.00 0.00 61.69 61.46 1lma s THR 69 Cb 0.04 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 1lma s THR 69 CO 0.00 0.50 1.18 -2.84 -0.69 0.00 0.00 174.62 172.77 1lma s PRO 70 N 0.35 2.83 -1.57 4.92 0.02 -1.26 -3.29 135.00 137.00 1lma s PRO 70 Ca -0.05 1.70 -0.01 0.00 0.02 0.00 0.00 61.00 62.66 1lma s PRO 70 Cb -0.14 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.45 1lma s PRO 70 CO 0.03 -1.28 0.08 0.41 -0.33 0.00 0.00 177.00 175.91 1lma n GLY 71 N 0.24 -0.50 3.70 0.52 0.00 -1.26 -4.86 105.19 103.03 1lma n GLY 71 Ca 0.13 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1lma n GLY 71 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lma n SER 72 N -2.03 3.61 -0.00 1.61 7.64 -1.21 -4.69 113.62 118.55 1lma n SER 72 Ca -0.20 1.09 0.04 0.00 1.01 0.00 0.00 58.87 60.81 1lma n SER 72 Cb 0.66 -1.52 -0.06 0.00 -1.01 0.00 0.00 64.21 62.28 1lma n SER 72 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1lma n ARG 73 N 3.32 1.72 -4.26 1.43 1.74 -0.54 -4.99 116.66 115.09 1lma n ARG 73 Ca 0.15 -0.05 -0.34 0.00 -0.77 0.00 0.00 57.85 56.84 1lma n ARG 73 Cb 0.33 -1.07 -0.06 0.00 -1.02 0.00 0.00 32.46 30.64 1lma n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1lma n ASN 74 N -1.57 -1.16 0.33 0.55 5.15 -1.02 -4.84 115.26 112.70 1lma n ASN 74 Ca -0.00 -1.13 0.19 0.00 -0.60 0.00 0.00 54.58 53.03 1lma n ASN 74 Cb 0.18 -2.27 1.01 0.00 -0.53 0.00 0.00 39.78 38.16 1lma n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1lma h LEU 75 N -1.52 0.00 -0.18 1.20 4.07 -0.11 -1.64 115.31 117.13 1lma h LEU 75 Ca -0.62 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.34 1lma h LEU 75 Cb 1.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.13 1lma h LEU 75 CO 0.75 0.00 -0.49 0.00 -1.08 0.00 0.00 178.44 177.62 1lma n ASN 77 N -1.19 -6.02 -3.70 0.00 5.15 -0.62 -4.99 115.26 103.89 1lma n ASN 77 Ca 0.07 -0.80 -0.14 0.00 -0.60 0.00 0.00 54.58 53.11 1lma n ASN 77 Cb 0.34 -4.05 -0.08 0.00 -0.53 0.00 0.00 39.78 35.46 1lma n ASN 77 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1lma s ILE 78 N -3.35 0.03 0.40 -1.44 1.10 -1.26 -5.08 121.20 111.60 1lma s ILE 78 Ca 0.38 -0.29 -0.24 0.00 -0.51 0.00 0.00 60.65 59.99 1lma s ILE 78 Cb -0.11 -0.71 -0.09 0.00 0.15 0.00 0.00 42.46 41.71 1lma s ILE 78 CO 0.81 -0.16 1.11 -2.16 -2.11 0.00 0.00 174.94 172.43 1lma s PRO 79 N -1.05 4.08 0.54 3.50 0.04 -1.26 -0.72 135.00 140.13 1lma s PRO 79 Ca -0.11 1.67 0.24 0.00 0.04 0.00 0.00 61.00 62.84 1lma s PRO 79 Cb -0.04 -2.59 1.50 0.00 0.04 0.00 0.00 34.50 33.42 1lma s PRO 79 CO 0.05 -0.25 2.16 0.00 0.04 0.00 0.00 177.00 179.00 1lma h SER 81 N 0.00 0.00 0.11 0.00 4.64 -1.92 -0.03 113.55 116.35 1lma h SER 81 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1lma h SER 81 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1lma h SER 81 CO 0.01 0.05 -0.07 0.00 -0.87 0.00 0.00 176.83 175.94 1lma h ALA 82 N 1.95 1.67 0.00 5.18 0.00 -1.82 -0.37 119.26 125.87 1lma h ALA 82 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1lma h ALA 82 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1lma h ALA 82 CO 0.01 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.63 1lma n LEU 83 N -4.15 0.00 -0.80 0.00 4.77 -0.03 -3.29 117.00 113.50 1lma n LEU 83 Ca -0.03 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.02 1lma n LEU 83 Cb 0.16 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.46 1lma n LEU 83 CO 0.32 0.00 0.67 0.18 -1.33 0.00 0.00 177.39 177.24 1lma n LEU 84 N -0.93 3.43 -4.84 2.23 4.77 -0.15 -3.71 117.00 117.80 1lma n LEU 84 Ca 0.21 -2.44 -0.31 0.00 -0.03 0.00 0.00 56.01 53.43 1lma n LEU 84 Cb 0.10 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1lma n LEU 84 CO 0.16 0.71 0.71 -0.94 -1.33 0.00 0.00 177.39 176.70 1lma s SER 85 N -1.37 5.95 0.44 -1.43 1.04 -1.21 -4.55 113.70 112.58 1lma s SER 85 Ca 0.33 1.57 0.22 0.00 0.48 0.00 0.00 55.95 58.55 1lma s SER 85 Cb 0.22 -2.49 0.99 0.00 0.10 0.00 0.00 66.02 64.84 1lma s SER 85 CO 0.13 -1.05 1.87 0.28 0.98 0.00 0.00 173.24 175.45 1lma h SER 86 N -0.13 0.00 -3.01 7.02 0.02 -1.93 -3.42 113.55 112.11 1lma h SER 86 Ca -0.45 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.90 1lma h SER 86 Cb 1.20 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.70 1lma h SER 86 CO 0.60 0.25 -0.40 1.51 -1.14 0.00 0.00 176.83 177.65 1lma s ASP 87 N -6.32 6.44 0.00 3.07 -4.77 -1.26 -4.92 116.67 108.91 1lma s ASP 87 Ca -0.01 0.47 0.27 0.00 -3.30 0.00 0.00 52.55 49.98 1lma s ASP 87 Cb 0.12 -2.04 0.89 0.00 -1.09 0.00 0.00 42.92 40.80 1lma s ASP 87 CO 0.64 0.14 1.65 2.30 0.70 0.00 0.00 175.17 180.61 1lma n ILE 88 N 0.40 0.00 -0.20 2.11 -5.35 -1.26 -4.61 119.36 110.45 1lma n ILE 88 Ca -0.05 -0.18 -0.05 0.00 -0.27 0.00 0.00 62.75 62.19 1lma n ILE 88 Cb 0.52 0.43 -0.05 0.00 -1.74 0.00 0.00 39.64 38.80 1lma n ILE 88 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1lma n THR 89 N -0.30 -0.33 -0.30 7.28 -1.04 -1.26 -1.23 114.28 117.09 1lma n THR 89 Ca 0.15 1.73 -0.04 0.00 -2.04 0.00 0.00 64.05 63.85 1lma n THR 89 Cb 0.35 -2.19 0.08 0.00 -1.82 0.00 0.00 70.33 66.74 1lma n THR 89 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1lma h ALA 90 N -0.14 1.05 -0.70 2.41 0.00 -1.82 -2.29 119.26 117.76 1lma h ALA 90 Ca 0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1lma h ALA 90 Cb 0.20 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1lma h ALA 90 CO -0.45 0.47 0.42 0.77 0.00 0.00 0.00 179.25 180.46 1lma h SER 91 N 1.12 0.85 -0.24 0.00 0.02 -1.66 -1.23 113.55 112.41 1lma h SER 91 Ca 0.30 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.15 1lma h SER 91 Cb -0.11 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 1lma h SER 91 CO -0.06 0.66 -0.00 0.58 -1.14 0.00 0.00 176.83 176.87 1lma h VAL 92 N 0.96 1.26 -0.89 2.27 2.07 -0.92 -0.71 116.25 120.28 1lma h VAL 92 Ca 0.25 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1lma h VAL 92 Cb -0.02 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1lma h VAL 92 CO -0.05 0.28 0.52 0.78 0.02 0.00 0.00 177.57 179.13 1lma h ASN 93 N 0.20 1.08 -0.11 0.57 2.35 -1.28 -1.47 115.58 116.92 1lma h ASN 93 Ca 0.07 -0.08 -0.14 0.00 -0.55 0.00 0.00 56.30 55.60 1lma h ASN 93 Cb 0.42 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.52 1lma h ASN 93 CO 0.01 0.85 -0.47 0.00 -1.65 0.00 0.00 177.43 176.17 1lma h ALA 95 N 0.48 1.68 -0.17 0.00 0.00 -0.86 0.23 119.26 120.62 1lma h ALA 95 Ca -0.03 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1lma h ALA 95 Cb 1.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1lma h ALA 95 CO 0.10 0.10 -0.16 0.87 0.00 0.00 0.00 179.25 180.16 1lma h LYS 96 N 0.84 0.28 0.03 0.00 1.57 -1.26 -1.75 116.57 116.28 1lma h LYS 96 Ca 0.44 -0.07 -0.26 0.00 -1.87 0.00 0.00 60.65 58.89 1lma h LYS 96 Cb 0.53 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.83 1lma h LYS 96 CO -0.20 0.44 -1.07 -0.22 -0.57 0.00 0.00 179.45 177.83 1lma h LYS 97 N 0.27 0.59 -0.35 3.15 3.11 -0.57 -2.94 116.57 119.82 1lma h LYS 97 Ca 0.05 -0.67 -0.01 0.00 -2.81 0.00 0.00 60.65 57.21 1lma h LYS 97 Cb 0.44 0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 31.85 1lma h LYS 97 CO 0.03 1.27 0.19 0.82 -2.81 0.00 0.00 179.45 178.95 1lma h ILE 98 N 0.31 1.14 -0.36 2.00 2.04 -0.57 -2.78 117.51 119.30 1lma h ILE 98 Ca -0.13 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.37 1lma h ILE 98 Cb 1.72 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 1lma h ILE 98 CO 0.20 0.15 0.24 0.58 0.00 0.00 0.00 178.15 179.32 1lma h VAL 99 N 0.44 1.07 0.00 1.67 2.07 -1.42 -2.13 116.25 117.95 1lma h VAL 99 Ca 0.12 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1lma h VAL 99 Cb 0.06 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1lma h VAL 99 CO -0.02 0.08 0.00 -1.20 0.02 0.00 0.00 177.57 176.45 1lma n SER 100 N -4.48 0.00 0.02 0.57 7.64 -1.05 -3.39 113.62 112.92 1lma n SER 100 Ca 0.03 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.80 1lma n SER 100 Cb 0.09 -0.33 -0.06 0.00 -1.01 0.00 0.00 64.21 62.90 1lma n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1lma h ASP 101 N 0.00 -0.02 0.00 6.43 3.58 -1.34 -3.47 116.42 121.60 1lma h ASP 101 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1lma h ASP 101 Cb 0.33 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1lma h ASP 101 CO 0.00 -0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1lma n GLY 102 N -1.12 -0.99 0.00 -0.78 0.00 -1.26 -4.98 105.19 96.07 1lma n GLY 102 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.03 1lma n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1lma n ASN 103 N 0.00 1.58 0.00 1.61 6.94 -1.26 -5.09 115.26 119.03 1lma n ASN 103 Ca 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 54.58 54.36 1lma n ASN 103 Cb 0.00 1.47 0.00 0.00 -2.36 0.00 0.00 39.78 38.89 1lma n ASN 103 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1lma n GLY 104 N 1.63 1.35 0.00 4.83 0.00 -1.22 -2.13 105.19 109.64 1lma n GLY 104 Ca -0.01 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.49 1lma n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1lma n MET 105 N 3.33 0.19 0.30 1.61 2.81 -1.26 -3.21 117.12 120.88 1lma n MET 105 Ca 0.00 0.15 0.19 0.00 -1.81 0.00 0.00 57.70 56.23 1lma n MET 105 Cb 0.00 -1.50 1.01 0.00 -0.71 0.00 0.00 33.22 32.02 1lma n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1lma h ASN 106 N 0.00 0.00 0.66 7.83 4.21 -1.85 -1.29 115.58 125.14 1lma h ASN 106 Ca 0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1lma h ASN 106 Cb 0.16 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.36 1lma h ASN 106 CO 0.00 0.00 -0.07 0.00 -1.29 0.00 0.00 177.43 176.07 1lma h ALA 107 N 1.88 1.07 -2.55 -0.83 0.00 -1.72 -3.40 119.26 113.72 1lma h ALA 107 Ca 0.00 -0.06 -0.67 0.00 0.00 0.00 0.00 54.91 54.18 1lma h ALA 107 Cb 0.11 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.72 1lma h ALA 107 CO 0.00 0.09 -0.25 -1.58 0.00 0.00 0.00 179.25 177.51 1lma s TRP 108 N -3.88 3.20 0.32 0.00 0.51 -0.49 -4.94 118.94 113.66 1lma s TRP 108 Ca -0.01 -0.06 0.00 0.00 -2.12 0.00 0.00 56.10 53.91 1lma s TRP 108 Cb 0.11 -2.73 0.53 0.00 -0.81 0.00 0.00 33.47 30.57 1lma s TRP 108 CO 0.55 -0.49 1.96 -0.24 -0.51 0.00 0.00 176.95 178.22 1lma h VAL 109 N 5.58 1.19 -0.36 4.03 3.04 -1.85 -2.31 116.25 125.57 1lma h VAL 109 Ca -0.29 -0.43 -0.07 0.00 -1.01 0.00 0.00 66.70 64.90 1lma h VAL 109 Cb 1.14 0.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 1lma h VAL 109 CO 0.72 0.20 -0.04 0.00 -1.01 0.00 0.00 177.57 177.44 1lma h ALA 110 N 1.51 0.49 0.36 3.17 0.00 -1.92 -0.87 119.26 122.00 1lma h ALA 110 Ca 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1lma h ALA 110 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1lma h ALA 110 CO -0.04 0.30 -0.25 2.35 0.00 0.00 0.00 179.25 181.61 1lma h TRP 111 N 0.47 -0.65 -0.36 0.00 7.01 -1.78 0.23 115.95 120.87 1lma h TRP 111 Ca 0.10 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.15 1lma h TRP 111 Cb 0.52 0.24 -0.05 0.00 -2.10 0.00 0.00 29.16 27.77 1lma h TRP 111 CO 0.04 -0.38 0.04 -0.09 -2.79 0.00 0.00 178.44 175.27 1lma h ARG 112 N -0.59 0.15 0.00 2.65 2.43 -1.39 0.40 114.38 118.03 1lma h ARG 112 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1lma h ARG 112 Cb 0.50 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1lma h ARG 112 CO 0.02 0.10 -0.24 0.09 -1.51 0.00 0.00 179.97 178.43 1lma n ASN 113 N -5.13 0.32 0.00 -3.80 4.13 -0.34 -4.35 115.26 106.09 1lma n ASN 113 Ca 0.02 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.48 1lma n ASN 113 Cb 0.17 -0.20 0.00 0.00 -1.54 0.00 0.00 39.78 38.21 1lma n ASN 113 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1lma n ARG 114 N -1.63 4.03 -0.08 3.52 5.12 0.80 -4.94 116.66 123.49 1lma n ARG 114 Ca 0.06 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.88 1lma n ARG 114 Cb 0.36 -0.63 -0.09 0.00 -1.16 0.00 0.00 32.46 30.94 1lma n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1lma n LYS 116 N -2.83 1.76 -0.91 0.00 4.81 0.04 -1.77 118.16 119.25 1lma n LYS 116 Ca -0.27 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 1lma n LYS 116 Cb 0.85 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.50 1lma n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1lma n GLY 117 N 3.93 1.06 3.18 3.14 0.00 -1.26 -5.00 105.19 110.23 1lma n GLY 117 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 1lma n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1lma n THR 118 N -2.00 0.00 -2.31 2.61 -2.24 -0.73 -4.96 114.28 104.65 1lma n THR 118 Ca 0.00 -1.07 -0.43 0.00 -2.27 0.00 0.00 64.05 60.28 1lma n THR 118 Cb 0.00 -1.26 -0.00 0.00 -2.10 0.00 0.00 70.33 66.97 1lma n THR 118 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1lma n ASP 119 N -3.28 4.60 0.22 3.42 2.03 -1.26 -4.75 116.55 117.52 1lma n ASP 119 Ca 0.14 -2.89 0.06 0.00 0.52 0.00 0.00 54.79 52.61 1lma n ASP 119 Cb 0.48 -1.72 0.54 0.00 -0.72 0.00 0.00 41.12 39.70 1lma n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1lma h VAL 120 N 5.08 1.08 -0.27 5.18 -1.51 -1.91 -2.45 116.25 121.45 1lma h VAL 120 Ca 0.49 -0.36 0.08 0.00 -1.23 0.00 0.00 66.70 65.68 1lma h VAL 120 Cb 0.80 1.14 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 1lma h VAL 120 CO 1.59 0.11 0.35 1.56 -1.23 0.00 0.00 177.57 179.95 1lma h GLN 121 N 0.05 0.00 -0.04 5.19 1.08 -1.89 0.49 115.11 119.99 1lma h GLN 121 Ca 0.01 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1lma h GLN 121 Cb 0.17 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1lma h GLN 121 CO 0.01 0.00 -0.17 0.00 -0.95 0.00 0.00 178.83 177.72 1lma h ALA 122 N 1.55 1.65 -0.02 3.87 0.00 -1.84 -2.88 119.26 121.59 1lma h ALA 122 Ca 0.13 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1lma h ALA 122 Cb 0.84 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1lma h ALA 122 CO -0.00 0.26 0.09 -1.49 0.00 0.00 0.00 179.25 178.11 1lma h TRP 123 N 0.06 0.00 -0.14 0.00 4.06 -1.09 -0.68 115.95 118.15 1lma h TRP 123 Ca 0.01 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.92 1lma h TRP 123 Cb 0.34 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.47 1lma h TRP 123 CO 0.00 0.00 -0.12 0.44 -3.56 0.00 0.00 178.44 175.20 1lma n ILE 124 N -3.25 2.20 -2.03 1.49 -5.35 -1.09 -4.83 119.36 106.50 1lma n ILE 124 Ca -0.02 -2.50 -0.42 0.00 -0.27 0.00 0.00 62.75 59.54 1lma n ILE 124 Cb 0.16 -0.26 -0.03 0.00 -1.74 0.00 0.00 39.64 37.77 1lma n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1lma s ARG 125 N -3.03 4.27 -0.21 6.28 1.70 -0.27 -2.39 118.95 125.30 1lma s ARG 125 Ca 0.39 2.27 0.00 0.00 -0.47 0.00 0.00 55.73 57.91 1lma s ARG 125 Cb 0.34 -3.14 0.00 0.00 -0.57 0.00 0.00 34.95 31.58 1lma s ARG 125 CO 0.01 -0.45 0.00 0.41 -1.08 0.00 0.00 175.30 174.20 1lma n GLY 126 N 2.70 0.40 3.81 3.88 0.00 -1.26 -4.99 105.19 109.74 1lma n GLY 126 Ca 0.09 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1lma n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lma n ARG 128 N 0.95 3.26 0.00 0.00 0.63 -1.26 -5.12 116.66 115.11 1lma n ARG 128 Ca -0.04 -3.89 0.16 0.00 -0.92 0.00 0.00 57.85 53.16 1lma n ARG 128 Cb 0.51 -2.29 0.94 0.00 0.45 0.00 0.00 32.46 32.07 1lma n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40