#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lkr s VAL 2 N 0.00 4.19 0.42 3.15 1.01 -1.26 -0.69 120.40 127.21 1lkr s VAL 2 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1lkr s VAL 2 Cb 0.00 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 1lkr s VAL 2 CO 0.00 0.07 0.63 -0.36 0.00 0.00 0.00 175.10 175.44 1lkr s PHE 3 N 1.54 3.33 0.41 5.22 0.40 -0.27 -4.99 117.98 123.61 1lkr s PHE 3 Ca 0.03 0.29 -0.03 0.00 -0.60 0.00 0.00 56.93 56.62 1lkr s PHE 3 Cb -0.17 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.15 1lkr s PHE 3 CO 0.04 -0.19 0.67 0.20 0.70 0.00 0.00 175.22 176.63 1lkr s GLY 4 N -4.15 1.46 0.12 4.36 0.00 -1.26 -4.90 107.32 102.94 1lkr s GLY 4 Ca 0.46 -0.68 -0.26 0.00 0.00 0.00 0.00 44.72 44.24 1lkr s GLY 4 CO 0.38 -0.56 1.64 -0.09 0.00 0.00 0.00 173.10 174.46 1lkr h ARG 5 N 0.56 -0.40 0.00 2.90 2.43 -1.97 -2.27 114.38 115.63 1lkr h ARG 5 Ca -0.48 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 58.60 1lkr h ARG 5 Cb 1.21 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 1lkr h ARG 5 CO 0.62 -0.26 -0.54 0.00 -1.51 0.00 0.00 179.97 178.27 1lkr h GLU 7 N 0.00 0.76 -0.05 0.00 4.81 -1.92 -0.37 114.58 117.81 1lkr h GLU 7 Ca -0.01 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1lkr h GLU 7 Cb 1.17 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 1lkr h GLU 7 CO 0.07 0.79 0.03 1.25 -0.73 0.00 0.00 179.01 180.43 1lkr h LEU 8 N 0.71 0.07 -0.77 1.64 5.85 -1.34 -1.92 115.31 119.54 1lkr h LEU 8 Ca 0.13 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.90 1lkr h LEU 8 Cb 0.48 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 1lkr h LEU 8 CO 0.02 0.10 0.41 0.00 -0.34 0.00 0.00 178.44 178.64 1lkr h ALA 9 N 0.97 1.09 -0.42 1.25 0.00 -1.11 0.41 119.26 121.43 1lkr h ALA 9 Ca 0.02 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1lkr h ALA 9 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1lkr h ALA 9 CO -0.00 0.01 -0.26 0.00 0.00 0.00 0.00 179.25 178.99 1lkr h ALA 10 N 1.45 0.60 -0.60 0.00 0.00 -0.90 0.35 119.26 120.16 1lkr h ALA 10 Ca 0.38 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1lkr h ALA 10 Cb 0.39 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1lkr h ALA 10 CO -0.27 0.62 0.13 0.00 0.00 0.00 0.00 179.25 179.73 1lkr h ALA 11 N 0.82 0.79 -0.13 0.00 0.00 -0.49 -2.43 119.26 117.81 1lkr h ALA 11 Ca 0.09 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1lkr h ALA 11 Cb 0.84 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1lkr h ALA 11 CO 0.07 0.51 -0.37 0.52 0.00 0.00 0.00 179.25 179.98 1lkr h MET 12 N 0.87 0.28 -0.09 0.00 2.86 -0.03 -2.02 114.93 116.80 1lkr h MET 12 Ca 0.19 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 1lkr h MET 12 Cb 0.37 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1lkr h MET 12 CO 0.00 0.62 -0.33 -0.22 1.06 0.00 0.00 176.91 178.04 1lkr h LYS 13 N 0.24 0.18 -0.72 1.72 3.64 -0.04 -1.86 116.57 119.73 1lkr h LYS 13 Ca 0.03 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1lkr h LYS 13 Cb 0.77 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 1lkr h LYS 13 CO 0.06 0.50 0.37 0.00 -2.27 0.00 0.00 179.45 178.11 1lkr h ARG 14 N 0.16 1.02 -0.26 1.90 3.08 -1.00 -2.19 114.38 117.08 1lkr h ARG 14 Ca 0.02 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1lkr h ARG 14 Cb 0.67 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1lkr h ARG 14 CO 0.05 0.78 0.00 0.72 -1.07 0.00 0.00 179.97 180.45 1lkr n HIS 15 N -4.45 0.24 -0.96 3.04 8.25 -0.80 -4.93 115.22 115.60 1lkr n HIS 15 Ca 0.06 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1lkr n HIS 15 Cb 0.11 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.19 1lkr n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lkr n GLY 16 N 0.66 0.45 0.03 -1.41 0.00 -0.82 -4.95 105.19 99.14 1lkr n GLY 16 Ca 0.05 -0.65 0.13 0.00 0.00 0.00 0.00 46.02 45.55 1lkr n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lkr n LEU 17 N 0.00 0.33 -4.56 0.99 4.77 -0.75 -4.43 117.00 113.34 1lkr n LEU 17 Ca 0.00 0.18 -0.45 0.00 -0.03 0.00 0.00 56.01 55.71 1lkr n LEU 17 Cb 0.00 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 40.72 1lkr n LEU 17 CO 0.00 0.08 1.85 -0.67 -1.33 0.00 0.00 177.39 177.31 1lkr n ASP 18 N -1.39 2.99 -0.01 -1.43 2.03 -1.26 -1.71 116.55 115.78 1lkr n ASP 18 Ca 0.08 0.23 -0.00 0.00 0.52 0.00 0.00 54.79 55.62 1lkr n ASP 18 Cb 0.33 -1.49 -0.00 0.00 -0.72 0.00 0.00 41.12 39.23 1lkr n ASP 18 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1lkr n ASN 19 N 11.39 -3.82 -4.71 1.67 3.02 0.96 -4.84 115.26 118.93 1lkr n ASN 19 Ca 0.33 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.46 1lkr n ASN 19 Cb 0.40 -1.33 -0.03 0.00 -0.61 0.00 0.00 39.78 38.21 1lkr n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1lkr s TYR 20 N -1.74 3.57 -1.48 3.10 5.04 -0.69 -0.26 117.35 124.89 1lkr s TYR 20 Ca 0.00 1.57 -0.07 0.00 -2.44 0.00 0.00 57.07 56.13 1lkr s TYR 20 Cb 0.00 -3.21 0.06 0.00 0.35 0.00 0.00 41.96 39.15 1lkr s TYR 20 CO 0.00 -0.40 0.69 0.54 -1.34 0.00 0.00 175.55 175.04 1lkr n ARG 21 N 4.05 -4.13 -0.97 4.97 5.12 -1.26 -1.60 116.66 122.84 1lkr n ARG 21 Ca 0.07 0.49 0.00 0.00 -1.93 0.00 0.00 57.85 56.48 1lkr n ARG 21 Cb 0.49 -5.01 0.00 0.00 -1.16 0.00 0.00 32.46 26.78 1lkr n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1lkr n GLY 22 N -1.71 0.99 3.45 -0.13 0.00 0.64 -5.01 105.19 103.42 1lkr n GLY 22 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1lkr n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lkr s TYR 23 N -3.87 3.03 0.80 1.61 2.02 -0.63 -4.83 117.35 115.48 1lkr s TYR 23 Ca 0.00 -0.46 -0.11 0.00 -0.37 0.00 0.00 57.07 56.13 1lkr s TYR 23 Cb 0.00 -2.06 0.07 0.00 -0.40 0.00 0.00 41.96 39.57 1lkr s TYR 23 CO 0.00 -0.22 1.09 -1.54 -1.57 0.00 0.00 175.55 173.31 1lkr s SER 24 N 0.91 4.27 0.27 2.29 1.04 -1.26 -0.03 113.70 121.19 1lkr s SER 24 Ca 0.01 1.70 -0.08 0.00 0.48 0.00 0.00 55.95 58.06 1lkr s SER 24 Cb -0.14 -2.41 0.45 0.00 0.10 0.00 0.00 66.02 64.01 1lkr s SER 24 CO 0.02 -2.17 1.57 0.25 0.98 0.00 0.00 173.24 173.89 1lkr h LEU 25 N -1.22 -0.88 -1.06 2.42 5.85 -1.88 -0.59 115.31 117.94 1lkr h LEU 25 Ca -0.45 0.29 0.30 0.00 0.84 0.00 0.00 57.88 58.86 1lkr h LEU 25 Cb 1.25 0.59 -0.14 0.00 0.37 0.00 0.00 40.66 42.73 1lkr h LEU 25 CO 0.53 -0.32 0.60 1.23 -0.34 0.00 0.00 178.44 180.14 1lkr h GLY 26 N 0.00 1.91 0.54 3.75 0.00 -1.91 -1.16 103.07 106.20 1lkr h GLY 26 Ca 0.47 -0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.59 1lkr h GLY 26 CO -0.99 -0.39 -0.04 3.43 0.00 0.00 0.00 176.54 178.55 1lkr h ASN 27 N 0.38 -0.18 -0.00 0.19 2.35 -1.34 -0.94 115.58 116.04 1lkr h ASN 27 Ca 0.71 0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 56.40 1lkr h ASN 27 Cb 1.60 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 40.09 1lkr h ASN 27 CO -0.53 -0.06 -0.39 -0.50 -1.65 0.00 0.00 177.43 174.29 1lkr h TRP 28 N 0.03 0.60 -0.18 1.19 4.06 -1.28 0.73 115.95 121.11 1lkr h TRP 28 Ca 0.12 -0.17 -0.14 0.00 2.06 0.00 0.00 58.89 60.76 1lkr h TRP 28 Cb 0.17 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 1lkr h TRP 28 CO -0.23 0.83 -0.43 0.28 -3.56 0.00 0.00 178.44 175.32 1lkr h VAL 29 N 0.43 1.33 -0.62 1.49 2.07 -1.25 -2.60 116.25 117.10 1lkr h VAL 29 Ca 0.04 -1.68 0.12 0.00 0.82 0.00 0.00 66.70 66.00 1lkr h VAL 29 Cb 0.87 1.93 -0.12 0.00 -1.52 0.00 0.00 31.29 32.46 1lkr h VAL 29 CO 0.07 0.52 -0.20 0.00 0.02 0.00 0.00 177.57 177.98 1lkr h ALA 31 N 1.47 0.60 -0.58 0.00 0.00 -0.70 -2.17 119.26 117.88 1lkr h ALA 31 Ca 0.29 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1lkr h ALA 31 Cb 0.49 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1lkr h ALA 31 CO -0.66 0.05 0.09 0.00 0.00 0.00 0.00 179.25 178.73 1lkr h ALA 32 N 1.17 1.06 -0.24 0.00 0.00 -1.17 0.51 119.26 120.60 1lkr h ALA 32 Ca 0.17 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1lkr h ALA 32 Cb -0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1lkr h ALA 32 CO -0.04 0.60 0.13 -0.22 0.00 0.00 0.00 179.25 179.73 1lkr h LYS 33 N 0.88 0.27 0.00 0.00 1.63 -0.57 -1.49 116.57 117.29 1lkr h LYS 33 Ca 0.18 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1lkr h LYS 33 Cb 0.40 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1lkr h LYS 33 CO 0.01 0.18 -0.60 0.74 -3.45 0.00 0.00 179.45 176.33 1lkr h PHE 34 N 0.27 0.00 0.22 1.91 0.04 -1.09 0.33 116.94 118.62 1lkr h PHE 34 Ca 0.09 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.52 1lkr h PHE 34 Cb 0.00 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.18 1lkr h PHE 34 CO -0.08 0.00 -1.57 0.93 -0.60 0.00 0.00 178.31 176.98 1lkr h GLU 35 N 0.00 0.46 0.00 1.51 4.39 0.09 -3.41 114.58 117.62 1lkr h GLU 35 Ca 0.00 -0.79 0.00 0.00 0.34 0.00 0.00 59.36 58.91 1lkr h GLU 35 Cb 0.96 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1lkr h GLU 35 CO 0.00 1.37 0.00 -1.13 -1.16 0.00 0.00 179.01 178.09 1lkr n SER 36 N -3.65 0.71 -3.30 1.42 3.41 -0.60 -4.87 113.62 106.75 1lkr n SER 36 Ca -0.19 -1.22 -0.23 0.00 -0.26 0.00 0.00 58.87 56.96 1lkr n SER 36 Cb 1.09 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 65.09 1lkr n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1lkr n ASN 37 N -0.11 -6.23 -0.34 4.04 2.85 0.11 -2.61 115.26 112.97 1lkr n ASN 37 Ca 0.00 -0.41 -0.04 0.00 -0.11 0.00 0.00 54.58 54.01 1lkr n ASN 37 Cb 0.24 -4.97 -0.02 0.00 1.24 0.00 0.00 39.78 36.27 1lkr n ASN 37 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1lkr n PHE 38 N -4.75 0.00 -3.57 1.20 3.72 -0.99 -4.83 117.46 108.25 1lkr n PHE 38 Ca -0.06 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.95 1lkr n PHE 38 Cb 0.59 -1.59 -0.11 0.00 -0.94 0.00 0.00 39.48 37.43 1lkr n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1lkr s ASN 39 N -2.30 5.95 0.59 4.37 3.84 -1.07 -1.12 114.94 125.19 1lkr s ASN 39 Ca 0.00 -0.34 0.37 0.00 0.21 0.00 0.00 52.86 53.10 1lkr s ASN 39 Cb 0.00 -2.11 1.72 0.00 -0.55 0.00 0.00 41.25 40.32 1lkr s ASN 39 CO 0.00 -0.18 2.12 0.71 -2.79 0.00 0.00 177.10 176.95 1lkr h THR 40 N 5.49 0.01 -0.69 -5.21 1.35 -1.25 -3.04 112.91 109.57 1lkr h THR 40 Ca -0.32 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1lkr h THR 40 Cb 1.16 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1lkr h THR 40 CO 0.61 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.88 1lkr n GLN 41 N -3.10 2.73 -1.65 4.72 1.13 -1.26 -3.99 117.38 115.95 1lkr n GLN 41 Ca -0.01 -2.61 -0.53 0.00 -1.94 0.00 0.00 57.00 51.92 1lkr n GLN 41 Cb 0.23 -1.55 -0.06 0.00 0.11 0.00 0.00 30.24 28.97 1lkr n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1lkr n ALA 42 N 1.57 -0.22 -2.79 -1.58 0.00 -1.15 -4.78 120.51 111.56 1lkr n ALA 42 Ca 0.23 0.44 -0.15 0.00 0.00 0.00 0.00 53.44 53.96 1lkr n ALA 42 Cb 0.61 -2.21 -0.13 0.00 0.00 0.00 0.00 19.45 17.72 1lkr n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1lkr s THR 43 N 1.97 0.52 -0.08 0.00 -4.23 -1.26 -0.62 115.64 111.94 1lkr s THR 43 Ca 0.89 -0.66 -0.02 0.00 -1.18 0.00 0.00 61.69 60.72 1lkr s THR 43 Cb -0.93 -0.51 0.03 0.00 1.34 0.00 0.00 72.50 72.43 1lkr s THR 43 CO 0.53 -0.11 0.03 0.21 -0.54 0.00 0.00 174.62 174.73 1lkr s ASN 44 N -0.84 1.66 0.07 3.99 2.47 -0.45 -4.96 114.94 116.86 1lkr s ASN 44 Ca -0.03 -0.15 -0.16 0.00 0.42 0.00 0.00 52.86 52.93 1lkr s ASN 44 Cb -0.06 -0.36 -0.06 0.00 -1.45 0.00 0.00 41.25 39.32 1lkr s ASN 44 CO 0.00 -0.23 0.51 -0.13 -3.72 0.00 0.00 177.10 173.53 1lkr s ARG 45 N 2.03 4.05 0.16 0.43 1.81 -1.26 -1.43 118.95 124.73 1lkr s ARG 45 Ca 0.04 0.56 -0.27 0.00 -1.72 0.00 0.00 55.73 54.34 1lkr s ARG 45 Cb -0.13 -3.16 -0.08 0.00 -0.45 0.00 0.00 34.95 31.14 1lkr s ARG 45 CO -0.05 0.62 0.83 -0.80 -0.68 0.00 0.00 175.30 175.22 1lkr s ASN 46 N -1.26 7.43 0.53 0.23 -0.87 -0.20 -4.98 114.94 115.82 1lkr s ASN 46 Ca 0.29 1.70 0.19 0.00 -1.57 0.00 0.00 52.86 53.47 1lkr s ASN 46 Cb -0.17 -2.53 1.35 0.00 -0.02 0.00 0.00 41.25 39.88 1lkr s ASN 46 CO 0.17 0.15 2.15 0.71 -2.57 0.00 0.00 177.10 177.71 1lkr h THR 47 N 3.46 0.92 0.00 1.60 1.35 -1.97 -1.40 112.91 116.87 1lkr h THR 47 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1lkr h THR 47 Cb 1.21 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1lkr h THR 47 CO 0.68 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.05 1lkr n ASP 48 N -4.44 0.00 0.00 5.36 5.75 -1.26 -4.84 116.55 117.13 1lkr n ASP 48 Ca -0.02 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1lkr n ASP 48 Cb 0.14 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1lkr n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lkr n GLY 49 N 0.53 1.40 4.00 6.12 0.00 -0.53 -5.05 105.19 111.66 1lkr n GLY 49 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1lkr n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lkr s SER 50 N -3.02 4.99 0.02 1.61 1.04 -1.25 -4.88 113.70 112.21 1lkr s SER 50 Ca 0.00 -0.43 0.03 0.00 0.48 0.00 0.00 55.95 56.04 1lkr s SER 50 Cb 0.00 -0.24 -0.02 0.00 0.10 0.00 0.00 66.02 65.87 1lkr s SER 50 CO 0.00 -1.37 -0.10 -0.89 0.98 0.00 0.00 173.24 171.87 1lkr s THR 51 N -2.79 0.77 -0.18 2.02 2.01 -1.26 -1.03 115.64 115.18 1lkr s THR 51 Ca 0.61 -0.73 -0.13 0.00 0.31 0.00 0.00 61.69 61.75 1lkr s THR 51 Cb -0.07 -0.70 -0.05 0.00 0.01 0.00 0.00 72.50 71.69 1lkr s THR 51 CO 0.40 -0.01 0.26 -1.81 -0.69 0.00 0.00 174.62 172.77 1lkr s ASP 52 N -0.83 6.38 -0.13 3.53 1.01 -0.51 -1.43 116.67 124.70 1lkr s ASP 52 Ca -0.00 0.43 0.01 0.00 0.71 0.00 0.00 52.55 53.70 1lkr s ASP 52 Cb -0.06 -2.17 -0.01 0.00 1.01 0.00 0.00 42.92 41.69 1lkr s ASP 52 CO 0.00 0.10 -0.15 -0.31 0.21 0.00 0.00 175.17 175.02 1lkr s TYR 53 N 0.56 2.77 0.00 4.23 1.51 0.63 -1.35 117.35 125.70 1lkr s TYR 53 Ca 0.15 -0.73 0.00 0.00 -1.01 0.00 0.00 57.07 55.48 1lkr s TYR 53 Cb -0.13 -1.82 0.00 0.00 -0.11 0.00 0.00 41.96 39.90 1lkr s TYR 53 CO 0.03 -0.26 0.00 0.41 -1.11 0.00 0.00 175.55 174.62 1lkr n GLY 54 N 3.54 -2.25 0.32 0.71 0.00 0.21 -1.66 105.19 106.06 1lkr n GLY 54 Ca -0.18 -1.59 0.14 0.00 0.00 0.00 0.00 46.02 44.39 1lkr n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1lkr h ILE 55 N 0.00 0.87 -0.16 -0.61 2.10 -1.69 -0.26 117.51 117.76 1lkr h ILE 55 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.93 1lkr h ILE 55 Cb 0.00 0.85 0.00 0.00 -1.09 0.00 0.00 36.82 36.58 1lkr h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1lkr n LEU 56 N -4.46 2.73 -3.80 2.19 4.77 -1.26 -4.09 117.00 113.08 1lkr n LEU 56 Ca 0.04 -2.41 -0.36 0.00 -0.03 0.00 0.00 56.01 53.25 1lkr n LEU 56 Cb 0.34 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1lkr n LEU 56 CO 0.35 0.65 -0.10 0.00 -1.33 0.00 0.00 177.39 176.96 1lkr n GLN 57 N -0.36 -0.90 -3.18 3.23 1.13 -0.11 -4.91 117.38 112.28 1lkr n GLN 57 Ca 0.11 0.37 -0.39 0.00 -1.94 0.00 0.00 57.00 55.15 1lkr n GLN 57 Cb 0.51 -3.52 -0.05 0.00 0.11 0.00 0.00 30.24 27.28 1lkr n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1lkr s ILE 58 N -3.44 5.11 0.22 5.09 1.01 -0.66 -4.51 121.20 124.01 1lkr s ILE 58 Ca 0.45 1.18 -0.26 0.00 0.00 0.00 0.00 60.65 62.01 1lkr s ILE 58 Cb -0.19 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 1lkr s ILE 58 CO 0.90 0.27 0.85 0.21 0.00 0.00 0.00 174.94 177.16 1lkr s ASN 59 N 0.78 7.43 0.00 3.58 3.84 -1.26 -0.27 114.94 129.04 1lkr s ASN 59 Ca 0.31 1.75 0.28 0.00 0.21 0.00 0.00 52.86 55.41 1lkr s ASN 59 Cb -0.16 -2.54 1.12 0.00 -0.55 0.00 0.00 41.25 39.12 1lkr s ASN 59 CO 0.13 0.13 1.85 -1.54 -2.79 0.00 0.00 177.10 174.89 1lkr n SER 60 N 1.31 0.09 -0.12 -4.21 3.41 -0.51 -2.89 113.62 110.70 1lkr n SER 60 Ca -0.03 0.34 -0.07 0.00 -0.26 0.00 0.00 58.87 58.86 1lkr n SER 60 Cb 0.49 -0.36 0.01 0.00 -0.26 0.00 0.00 64.21 64.09 1lkr n SER 60 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1lkr h ARG 61 N 0.01 0.43 0.00 4.33 3.08 -1.86 -3.33 114.38 117.04 1lkr h ARG 61 Ca 0.00 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 1lkr h ARG 61 Cb 0.49 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1lkr h ARG 61 CO 0.00 0.29 -1.67 0.91 -1.07 0.00 0.00 179.97 178.42 1lkr n TRP 62 N -4.89 0.00 0.74 3.04 7.02 -1.25 -4.69 117.44 117.41 1lkr n TRP 62 Ca 0.01 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.60 1lkr n TRP 62 Cb 0.08 -0.45 -0.08 0.00 -2.42 0.00 0.00 31.31 28.44 1lkr n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1lkr n TRP 63 N -2.23 0.04 -4.11 -5.99 7.02 -1.14 -1.28 117.44 109.75 1lkr n TRP 63 Ca -0.12 0.01 -0.11 0.00 -1.02 0.00 0.00 57.50 56.26 1lkr n TRP 63 Cb 0.67 -0.18 -0.08 0.00 -2.42 0.00 0.00 31.31 29.29 1lkr n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1lkr s ASN 65 N -3.08 5.57 0.00 0.00 2.47 -0.02 -4.38 114.94 115.51 1lkr s ASN 65 Ca 0.29 -0.07 0.24 0.00 0.42 0.00 0.00 52.86 53.74 1lkr s ASN 65 Cb 0.05 -2.01 0.52 0.00 -1.45 0.00 0.00 41.25 38.36 1lkr s ASN 65 CO 0.08 0.00 1.44 -0.90 -3.72 0.00 0.00 177.10 174.00 1lkr n ASP 66 N 4.70 2.67 0.00 -4.21 5.68 -1.26 -1.15 116.55 122.97 1lkr n ASP 66 Ca -0.15 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.27 1lkr n ASP 66 Cb 0.52 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1lkr n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lkr n GLY 67 N 1.34 0.71 0.14 6.12 0.00 -1.26 -4.94 105.19 107.30 1lkr n GLY 67 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1lkr n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lkr n ARG 68 N -2.50 0.37 -2.73 1.61 1.74 -1.26 -4.46 116.66 109.43 1lkr n ARG 68 Ca 0.00 -0.28 -0.08 0.00 -0.77 0.00 0.00 57.85 56.72 1lkr n ARG 68 Cb 0.00 -1.49 0.07 0.00 -1.02 0.00 0.00 32.46 30.01 1lkr n ARG 68 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1lkr n THR 69 N -1.07 0.00 -2.04 0.55 -2.24 -1.26 -5.10 114.28 103.12 1lkr n THR 69 Ca 0.07 -1.35 -0.39 0.00 -2.27 0.00 0.00 64.05 60.11 1lkr n THR 69 Cb 0.36 1.43 0.00 0.00 -2.10 0.00 0.00 70.33 70.02 1lkr n THR 69 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1lkr s PRO 70 N 0.48 3.81 0.00 -0.78 0.04 -1.26 -2.14 135.00 135.14 1lkr s PRO 70 Ca 0.28 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1lkr s PRO 70 Cb 0.25 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1lkr s PRO 70 CO -0.17 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.66 1lkr n GLY 71 N 0.63 0.50 3.00 0.56 0.00 -1.26 -5.04 105.19 103.59 1lkr n GLY 71 Ca 0.05 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 1lkr n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lkr s SER 72 N -2.38 0.45 0.74 1.61 0.15 -0.91 -5.09 113.70 108.27 1lkr s SER 72 Ca 0.00 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1lkr s SER 72 Cb 0.00 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1lkr s SER 72 CO 0.00 -0.24 0.00 0.54 1.20 0.00 0.00 173.24 174.74 1lkr n ARG 73 N 1.68 0.00 -3.79 5.44 1.74 -1.26 -4.85 116.66 115.62 1lkr n ARG 73 Ca -0.23 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.62 1lkr n ARG 73 Cb 0.55 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.01 1lkr n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1lkr n ASN 74 N 4.22 -1.17 -0.17 0.55 5.15 -0.82 -4.86 115.26 118.16 1lkr n ASN 74 Ca 0.00 -0.87 0.18 0.00 -0.60 0.00 0.00 54.58 53.30 1lkr n ASN 74 Cb 0.00 -3.77 0.55 0.00 -0.53 0.00 0.00 39.78 36.03 1lkr n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1lkr h LEU 75 N -1.87 0.32 -0.78 1.20 3.38 -1.26 -1.06 115.31 115.24 1lkr h LEU 75 Ca -0.61 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1lkr h LEU 75 Cb 1.36 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1lkr h LEU 75 CO 0.59 0.15 -0.21 0.00 0.09 0.00 0.00 178.44 179.06 1lkr n ASN 77 N -0.22 -2.38 -3.72 0.00 4.05 -0.40 -4.96 115.26 107.64 1lkr n ASN 77 Ca 0.14 -0.58 -0.10 0.00 0.45 0.00 0.00 54.58 54.48 1lkr n ASN 77 Cb 0.39 -4.88 -0.05 0.00 1.23 0.00 0.00 39.78 36.47 1lkr n ASN 77 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1lkr s ILE 78 N -3.34 0.06 0.31 -1.44 -4.36 -1.26 -5.06 121.20 106.12 1lkr s ILE 78 Ca 0.05 -0.78 -0.29 0.00 -0.26 0.00 0.00 60.65 59.37 1lkr s ILE 78 Cb -0.02 -1.38 -0.10 0.00 1.25 0.00 0.00 42.46 42.21 1lkr s ILE 78 CO 0.69 -0.28 1.20 -2.16 0.24 0.00 0.00 174.94 174.63 1lkr s PRO 79 N -3.85 4.48 0.51 0.37 0.04 -1.26 -0.84 135.00 134.46 1lkr s PRO 79 Ca 0.07 2.01 0.19 0.00 0.04 0.00 0.00 61.00 63.31 1lkr s PRO 79 Cb 0.01 -3.11 1.29 0.00 0.04 0.00 0.00 34.50 32.73 1lkr s PRO 79 CO -0.08 -0.01 2.07 0.00 0.04 0.00 0.00 177.00 179.02 1lkr h SER 81 N 0.06 0.00 0.79 0.00 4.64 -1.90 0.55 113.55 117.68 1lkr h SER 81 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1lkr h SER 81 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1lkr h SER 81 CO -0.01 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1lkr h ALA 82 N 1.97 1.00 0.00 5.18 0.00 -1.33 -2.11 119.26 123.97 1lkr h ALA 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1lkr h ALA 82 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1lkr h ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1lkr n LEU 83 N -3.01 0.00 -0.57 0.00 4.77 0.19 -3.01 117.00 115.37 1lkr n LEU 83 Ca -0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 1lkr n LEU 83 Cb 0.25 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.39 1lkr n LEU 83 CO 0.25 0.00 0.43 0.18 -1.33 0.00 0.00 177.39 176.92 1lkr n LEU 84 N -0.97 2.13 -4.77 2.23 4.77 -0.79 -4.10 117.00 115.50 1lkr n LEU 84 Ca 0.22 -0.92 -0.35 0.00 -0.03 0.00 0.00 56.01 54.93 1lkr n LEU 84 Cb 0.10 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1lkr n LEU 84 CO 0.16 0.39 0.81 -0.55 -1.33 0.00 0.00 177.39 176.87 1lkr s SER 85 N -1.58 5.51 0.14 -1.43 0.15 -1.16 -4.47 113.70 110.86 1lkr s SER 85 Ca 0.17 2.27 0.23 0.00 0.70 0.00 0.00 55.95 59.32 1lkr s SER 85 Cb 0.14 -2.59 0.90 0.00 -1.71 0.00 0.00 66.02 62.76 1lkr s SER 85 CO 0.28 -1.36 1.71 -1.20 1.20 0.00 0.00 173.24 173.86 1lkr n SER 86 N -1.39 0.42 -4.62 5.45 7.64 -1.26 -4.50 113.62 115.36 1lkr n SER 86 Ca 0.12 0.57 -0.42 0.00 1.01 0.00 0.00 58.87 60.16 1lkr n SER 86 Cb 0.50 -0.67 -0.05 0.00 -1.01 0.00 0.00 64.21 62.98 1lkr n SER 86 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1lkr s ASP 87 N -3.78 6.65 0.00 6.43 -1.08 -1.26 -4.94 116.67 118.69 1lkr s ASP 87 Ca 0.08 0.69 0.31 0.00 -0.52 0.00 0.00 52.55 53.11 1lkr s ASP 87 Cb 0.12 -2.39 1.68 0.00 -1.46 0.00 0.00 42.92 40.87 1lkr s ASP 87 CO 0.44 -0.54 2.12 2.30 0.52 0.00 0.00 175.17 180.01 1lkr n ILE 88 N 5.42 0.00 -0.30 4.11 -5.35 -1.26 -4.31 119.36 117.67 1lkr n ILE 88 Ca 0.03 -0.00 0.05 0.00 -0.27 0.00 0.00 62.75 62.56 1lkr n ILE 88 Cb 0.48 -0.49 0.15 0.00 -1.74 0.00 0.00 39.64 38.04 1lkr n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1lkr h THR 89 N 0.02 0.16 -0.45 7.28 2.02 -1.94 -0.53 112.91 119.48 1lkr h THR 89 Ca 0.00 -0.01 -0.11 0.00 0.77 0.00 0.00 66.41 67.06 1lkr h THR 89 Cb 0.17 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1lkr h THR 89 CO 0.00 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.76 1lkr h ALA 90 N 1.85 0.63 -0.47 6.16 0.00 -1.85 -0.22 119.26 125.36 1lkr h ALA 90 Ca 0.44 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1lkr h ALA 90 Cb 0.74 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1lkr h ALA 90 CO -0.85 0.55 0.20 0.77 0.00 0.00 0.00 179.25 179.92 1lkr h SER 91 N 0.73 0.63 -0.48 0.00 0.02 -1.68 -1.79 113.55 110.99 1lkr h SER 91 Ca 0.11 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.85 1lkr h SER 91 Cb 0.69 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1lkr h SER 91 CO 0.05 0.61 0.06 0.58 -1.14 0.00 0.00 176.83 176.99 1lkr h VAL 92 N 0.62 1.25 -0.29 2.27 2.07 -0.89 0.43 116.25 121.71 1lkr h VAL 92 Ca 0.16 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 1lkr h VAL 92 Cb 0.17 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1lkr h VAL 92 CO -0.02 0.34 -0.07 0.78 0.02 0.00 0.00 177.57 178.62 1lkr h ASN 93 N 0.67 0.44 -0.36 0.57 2.35 -0.94 -0.03 115.58 118.28 1lkr h ASN 93 Ca 0.14 -0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.67 1lkr h ASN 93 Cb 0.42 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1lkr h ASN 93 CO 0.01 0.57 -0.27 0.00 -1.65 0.00 0.00 177.43 176.09 1lkr h ALA 95 N 0.77 1.82 0.00 0.00 0.00 -0.33 0.12 119.26 121.63 1lkr h ALA 95 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1lkr h ALA 95 Cb 0.84 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1lkr h ALA 95 CO 0.07 0.03 0.00 0.87 0.00 0.00 0.00 179.25 180.22 1lkr h LYS 96 N 0.65 0.00 0.03 0.00 1.57 -0.75 0.89 116.57 118.97 1lkr h LYS 96 Ca 0.34 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.85 1lkr h LYS 96 Cb 0.45 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.78 1lkr h LYS 96 CO -0.12 0.00 -1.07 0.87 -0.57 0.00 0.00 179.45 178.56 1lkr h LYS 97 N 0.00 0.57 -0.18 3.15 1.57 -0.74 -3.07 116.57 117.87 1lkr h LYS 97 Ca 0.00 -0.66 -0.00 0.00 -1.87 0.00 0.00 60.65 58.12 1lkr h LYS 97 Cb 0.69 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1lkr h LYS 97 CO 0.00 1.27 0.11 0.82 -0.57 0.00 0.00 179.45 181.07 1lkr h ILE 98 N 0.30 1.09 0.00 1.86 2.04 -0.65 -2.61 117.51 119.54 1lkr h ILE 98 Ca -0.13 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1lkr h ILE 98 Cb 1.73 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1lkr h ILE 98 CO 0.20 0.09 0.00 0.55 0.00 0.00 0.00 178.15 178.99 1lkr n VAL 99 N -4.92 0.77 0.52 1.67 3.14 0.25 -1.78 118.33 117.98 1lkr n VAL 99 Ca -0.04 0.17 0.11 0.00 -2.96 0.00 0.00 64.34 61.63 1lkr n VAL 99 Cb 0.06 -0.92 0.25 0.00 -1.06 0.00 0.00 33.84 32.18 1lkr n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1lkr n SER 100 N -1.68 3.02 -0.28 6.55 7.64 -1.00 -3.92 113.62 123.95 1lkr n SER 100 Ca 0.04 -1.93 0.15 0.00 1.01 0.00 0.00 58.87 58.13 1lkr n SER 100 Cb 0.23 -0.23 0.66 0.00 -1.01 0.00 0.00 64.21 63.86 1lkr n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1lkr n ASP 101 N 1.20 0.89 0.00 6.43 2.03 -0.73 -4.93 116.55 121.45 1lkr n ASP 101 Ca 0.19 -1.22 0.00 0.00 0.52 0.00 0.00 54.79 54.28 1lkr n ASP 101 Cb 0.53 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1lkr n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lkr n GLY 102 N 1.14 1.03 0.25 0.27 0.00 -1.26 -4.94 105.19 101.67 1lkr n GLY 102 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 1lkr n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1lkr n ASN 103 N 0.00 2.16 0.00 1.61 5.15 -1.26 -5.11 115.26 117.80 1lkr n ASN 103 Ca 0.00 -1.82 0.00 0.00 -0.60 0.00 0.00 54.58 52.16 1lkr n ASN 103 Cb 0.00 -0.07 0.00 0.00 -0.53 0.00 0.00 39.78 39.18 1lkr n ASN 103 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1lkr n GLY 104 N -0.01 1.65 0.03 8.20 0.00 -1.25 -1.66 105.19 112.15 1lkr n GLY 104 Ca 0.04 -0.33 0.15 0.00 0.00 0.00 0.00 46.02 45.89 1lkr n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1lkr n MET 105 N 13.01 0.72 0.23 1.61 2.81 -1.26 -3.17 117.12 131.07 1lkr n MET 105 Ca 0.00 -0.06 0.15 0.00 -1.81 0.00 0.00 57.70 55.98 1lkr n MET 105 Cb 0.00 -1.50 0.81 0.00 -0.71 0.00 0.00 33.22 31.82 1lkr n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1lkr h ASN 106 N 0.16 0.00 0.47 7.83 2.35 -1.75 0.62 115.58 125.26 1lkr h ASN 106 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1lkr h ASN 106 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1lkr h ASN 106 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 1lkr n ALA 107 N -1.88 1.51 -3.19 -0.83 0.00 -1.19 -4.39 120.51 110.54 1lkr n ALA 107 Ca -0.02 0.04 -0.38 0.00 0.00 0.00 0.00 53.44 53.08 1lkr n ALA 107 Cb 0.06 -1.28 -0.12 0.00 0.00 0.00 0.00 19.45 18.11 1lkr n ALA 107 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1lkr s TRP 108 N -3.19 3.21 0.17 0.00 0.51 0.21 -4.98 118.94 114.87 1lkr s TRP 108 Ca 0.04 -1.23 -0.12 0.00 -2.12 0.00 0.00 56.10 52.67 1lkr s TRP 108 Cb 0.08 -2.27 0.06 0.00 -0.81 0.00 0.00 33.47 30.52 1lkr s TRP 108 CO 0.28 -0.67 1.69 0.28 -0.51 0.00 0.00 176.95 178.02 1lkr h VAL 109 N 6.04 1.24 0.00 4.03 2.07 -1.85 -1.38 116.25 126.40 1lkr h VAL 109 Ca -0.27 -0.84 -0.12 0.00 0.82 0.00 0.00 66.70 66.29 1lkr h VAL 109 Cb 1.10 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1lkr h VAL 109 CO 0.61 0.31 -0.59 0.00 0.02 0.00 0.00 177.57 177.92 1lkr h ALA 110 N 1.04 0.77 0.17 1.67 0.00 -1.93 -1.87 119.26 119.11 1lkr h ALA 110 Ca 0.18 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1lkr h ALA 110 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1lkr h ALA 110 CO -0.00 0.74 -0.08 2.35 0.00 0.00 0.00 179.25 182.25 1lkr h TRP 111 N 0.00 -0.22 -0.30 0.00 7.01 -1.70 -1.21 115.95 119.54 1lkr h TRP 111 Ca -0.01 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.94 1lkr h TRP 111 Cb 1.24 0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 28.36 1lkr h TRP 111 CO 0.00 -0.13 -0.02 0.07 -2.79 0.00 0.00 178.44 175.56 1lkr h ARG 112 N -0.23 0.47 0.06 2.65 0.11 -0.97 0.30 114.38 116.76 1lkr h ARG 112 Ca -0.02 -0.10 -0.27 0.00 0.10 0.00 0.00 59.98 59.68 1lkr h ARG 112 Cb 0.18 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.17 1lkr h ARG 112 CO 0.04 0.51 -1.40 -0.91 0.10 0.00 0.00 179.97 178.31 1lkr h ASN 113 N 0.45 0.20 0.00 0.08 2.35 -1.28 -3.39 115.58 113.99 1lkr h ASN 113 Ca 0.10 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1lkr h ASN 113 Cb 0.33 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1lkr h ASN 113 CO 0.01 1.22 -0.33 0.54 -1.65 0.00 0.00 177.43 177.22 1lkr n ARG 114 N -3.34 4.49 -0.01 0.81 5.12 -0.46 -4.83 116.66 118.43 1lkr n ARG 114 Ca -0.11 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.80 1lkr n ARG 114 Cb 1.01 -0.66 -0.01 0.00 -1.16 0.00 0.00 32.46 31.65 1lkr n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1lkr n LYS 116 N -2.30 2.05 -0.35 0.00 4.81 0.56 -1.82 118.16 121.10 1lkr n LYS 116 Ca -0.02 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 1lkr n LYS 116 Cb 0.52 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.09 1lkr n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1lkr n GLY 117 N 3.20 0.88 3.69 3.14 0.00 -1.26 -4.96 105.19 109.88 1lkr n GLY 117 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1lkr n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lkr s THR 118 N -2.80 2.39 -1.03 2.61 -4.23 -0.76 -5.03 115.64 106.79 1lkr s THR 118 Ca 0.00 -1.83 -0.20 0.00 -1.18 0.00 0.00 61.69 58.48 1lkr s THR 118 Cb 0.00 -2.94 0.09 0.00 1.34 0.00 0.00 72.50 70.99 1lkr s THR 118 CO 0.00 -0.07 1.36 -0.62 -0.54 0.00 0.00 174.62 174.75 1lkr s ASP 119 N -3.81 6.63 0.06 3.99 2.15 -1.26 -4.82 116.67 119.61 1lkr s ASP 119 Ca 0.38 -1.91 0.15 0.00 0.43 0.00 0.00 52.55 51.61 1lkr s ASP 119 Cb 0.03 -2.49 0.66 0.00 -0.30 0.00 0.00 42.92 40.82 1lkr s ASP 119 CO 0.21 -1.24 1.48 1.33 -0.17 0.00 0.00 175.17 176.78 1lkr n VAL 120 N 6.13 1.05 0.28 1.11 0.24 -1.26 -2.24 118.33 123.63 1lkr n VAL 120 Ca 0.32 0.28 0.16 0.00 -2.04 0.00 0.00 64.34 63.05 1lkr n VAL 120 Cb 0.49 -1.09 0.80 0.00 -1.47 0.00 0.00 33.84 32.57 1lkr n VAL 120 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1lkr h GLN 121 N 0.00 0.00 -0.36 7.34 4.20 -1.90 -1.46 115.11 122.94 1lkr h GLN 121 Ca 0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 1lkr h GLN 121 Cb 0.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1lkr h GLN 121 CO 0.00 0.08 0.27 0.00 -0.67 0.00 0.00 178.83 178.51 1lkr h ALA 122 N 1.92 2.29 0.00 3.87 0.00 -1.86 -1.44 119.26 124.04 1lkr h ALA 122 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1lkr h ALA 122 Cb 0.33 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1lkr h ALA 122 CO 0.01 -0.45 0.00 -1.49 0.00 0.00 0.00 179.25 177.31 1lkr h TRP 123 N 0.00 0.00 -0.03 0.00 4.06 -1.51 -0.70 115.95 117.77 1lkr h TRP 123 Ca 0.17 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.12 1lkr h TRP 123 Cb 0.71 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.87 1lkr h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1lkr n ILE 124 N -2.34 0.05 -1.67 1.49 -5.35 -0.60 -4.78 119.36 106.17 1lkr n ILE 124 Ca 0.01 -0.52 -0.45 0.00 -0.27 0.00 0.00 62.75 61.52 1lkr n ILE 124 Cb 0.21 1.21 -0.03 0.00 -1.74 0.00 0.00 39.64 39.30 1lkr n ILE 124 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1lkr n ARG 125 N 0.67 2.02 0.00 6.28 0.63 -0.27 -1.45 116.66 124.54 1lkr n ARG 125 Ca 0.07 0.72 0.00 0.00 -0.92 0.00 0.00 57.85 57.72 1lkr n ARG 125 Cb 0.31 -2.37 0.00 0.00 0.45 0.00 0.00 32.46 30.85 1lkr n ARG 125 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1lkr n GLY 126 N 2.11 2.77 0.17 5.14 0.00 -1.26 -4.87 105.19 109.25 1lkr n GLY 126 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 1lkr n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lkr n ARG 128 N -3.51 -5.41 0.00 0.00 5.12 -1.26 -5.11 116.66 106.49 1lkr n ARG 128 Ca -0.00 0.66 0.02 0.00 -1.93 0.00 0.00 57.85 56.60 1lkr n ARG 128 Cb 0.57 -5.36 0.14 0.00 -1.16 0.00 0.00 32.46 26.65 1lkr n ARG 128 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98