#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 4.95 0.52 3.15 1.01 -1.26 -1.35 120.40 127.42 1lkr s VAL 2 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 1lkr s VAL 2 Cb 0.00 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1lkr s VAL 2 CO 0.00 -0.67 0.85 -0.36 0.00 0.00 0.00 175.10 174.92 1lkr s PHE 3 N 2.46 3.52 0.48 5.22 0.40 -0.40 -5.01 117.98 124.64 1lkr s PHE 3 Ca 0.15 0.86 -0.18 0.00 -0.60 0.00 0.00 56.93 57.16 1lkr s PHE 3 Cb -0.18 -2.45 -0.09 0.00 0.51 0.00 0.00 43.02 40.81 1lkr s PHE 3 CO 0.13 -0.44 0.96 0.20 0.70 0.00 0.00 175.22 176.76 1lkr s GLY 4 N -4.15 2.18 0.05 4.36 0.00 -1.26 -4.86 107.32 103.63 1lkr s GLY 4 Ca 0.50 0.24 -0.29 0.00 0.00 0.00 0.00 44.72 45.16 1lkr s GLY 4 CO 0.46 0.51 1.45 -0.09 0.00 0.00 0.00 173.10 175.43 1lkr h ARG 5 N 1.31 -0.71 0.00 2.90 2.43 -1.97 -2.60 114.38 115.74 1lkr h ARG 5 Ca -0.48 0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 58.70 1lkr h ARG 5 Cb 1.18 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 1lkr h ARG 5 CO 0.61 -0.42 -0.20 0.00 -1.51 0.00 0.00 179.97 178.45 1lkr h GLU 7 N 0.00 0.38 -0.23 0.00 4.81 -1.95 -0.81 114.58 116.78 1lkr h GLU 7 Ca -0.00 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1lkr h GLU 7 Cb 0.55 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1lkr h GLU 7 CO 0.03 0.58 0.08 1.25 -0.73 0.00 0.00 179.01 180.22 1lkr h LEU 8 N 0.13 0.33 -1.40 1.64 5.85 -1.30 -2.31 115.31 118.25 1lkr h LEU 8 Ca 0.06 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1lkr h LEU 8 Cb 0.42 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1lkr h LEU 8 CO 0.01 0.43 0.41 0.00 -0.34 0.00 0.00 178.44 178.95 1lkr h ALA 9 N 0.91 1.57 -0.17 1.25 0.00 -1.28 0.13 119.26 121.66 1lkr h ALA 9 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1lkr h ALA 9 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1lkr h ALA 9 CO -0.00 0.40 0.06 0.00 0.00 0.00 0.00 179.25 179.71 1lkr h ALA 10 N 1.62 0.22 -0.23 0.00 0.00 -0.62 0.61 119.26 120.86 1lkr h ALA 10 Ca 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1lkr h ALA 10 Cb -0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1lkr h ALA 10 CO -0.05 -0.18 0.11 0.00 0.00 0.00 0.00 179.25 179.14 1lkr h ALA 11 N 0.90 0.30 -0.78 0.00 0.00 -1.03 0.66 119.26 119.31 1lkr h ALA 11 Ca 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1lkr h ALA 11 Cb 0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1lkr h ALA 11 CO -0.00 -0.14 0.46 0.52 0.00 0.00 0.00 179.25 180.09 1lkr h MET 12 N 0.25 1.07 -0.72 0.00 2.86 -0.78 -2.24 114.93 115.37 1lkr h MET 12 Ca 0.08 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1lkr h MET 12 Cb 0.11 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 1lkr h MET 12 CO -0.01 0.76 0.33 -0.22 1.06 0.00 0.00 176.91 178.83 1lkr h LYS 13 N 1.08 1.03 -0.89 1.72 3.64 -0.14 -1.76 116.57 121.25 1lkr h LYS 13 Ca 0.28 -0.15 0.14 0.00 -1.27 0.00 0.00 60.65 59.65 1lkr h LYS 13 Cb -0.02 -0.19 -0.09 0.00 -0.41 0.00 0.00 32.23 31.52 1lkr h LYS 13 CO -0.05 0.81 0.50 -0.09 -2.27 0.00 0.00 179.45 178.35 1lkr h ARG 14 N 1.02 0.72 -0.00 1.90 2.43 -0.45 -1.46 114.38 118.54 1lkr h ARG 14 Ca 0.25 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1lkr h ARG 14 Cb 0.13 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1lkr h ARG 14 CO -0.03 0.48 -0.00 0.72 -1.51 0.00 0.00 179.97 179.63 1lkr n HIS 15 N -4.79 0.00 -0.47 2.20 8.25 -0.88 -4.90 115.22 114.63 1lkr n HIS 15 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1lkr n HIS 15 Cb 0.40 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 1.03 0.74 0.11 -1.41 0.00 -0.55 -4.99 105.19 100.12 1lkr n GLY 16 Ca 0.23 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.77 -4.62 0.99 4.77 -0.70 -4.39 117.00 113.82 1lkr n LEU 17 Ca 0.00 0.59 -0.43 0.00 -0.03 0.00 0.00 56.01 56.14 1lkr n LEU 17 Cb 0.00 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 1lkr n LEU 17 CO 0.00 -0.24 1.49 -0.62 -1.33 0.00 0.00 177.39 176.69 1lkr s ASP 18 N -4.45 6.18 -0.74 -1.43 2.15 -1.26 -2.20 116.67 114.91 1lkr s ASP 18 Ca 0.10 1.74 0.00 0.00 0.43 0.00 0.00 52.55 54.82 1lkr s ASP 18 Cb 0.12 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1lkr s ASP 18 CO 0.56 -1.41 0.00 0.59 -0.17 0.00 0.00 175.17 174.74 1lkr n ASN 19 N 9.10 -4.46 -4.69 -0.34 3.02 0.31 -4.83 115.26 113.36 1lkr n ASN 19 Ca 0.21 0.17 -0.42 0.00 -0.03 0.00 0.00 54.58 54.51 1lkr n ASN 19 Cb 0.45 -2.58 -0.03 0.00 -0.61 0.00 0.00 39.78 37.01 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 -2.05 2.63 -1.72 3.10 5.04 -0.94 -1.00 117.35 122.40 1lkr s TYR 20 Ca 0.00 0.49 0.00 0.00 -2.44 0.00 0.00 57.07 55.12 1lkr s TYR 20 Cb 0.00 -3.89 0.00 0.00 0.35 0.00 0.00 41.96 38.42 1lkr s TYR 20 CO 0.00 -3.46 0.00 0.54 -1.34 0.00 0.00 175.55 171.29 1lkr n ARG 21 N 5.27 -1.16 -0.74 4.97 5.12 -1.26 -2.29 116.66 126.56 1lkr n ARG 21 Ca 0.15 1.06 0.00 0.00 -1.93 0.00 0.00 57.85 57.13 1lkr n ARG 21 Cb 0.41 -5.28 0.00 0.00 -1.16 0.00 0.00 32.46 26.43 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 -0.95 0.78 3.41 -0.13 0.00 -0.17 -5.02 105.19 103.10 1lkr n GLY 22 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.91 3.23 0.87 1.61 2.02 -0.97 -4.91 117.35 116.29 1lkr s TYR 23 Ca 0.00 -0.80 -0.10 0.00 -0.37 0.00 0.00 57.07 55.80 1lkr s TYR 23 Cb 0.00 -2.46 0.12 0.00 -0.40 0.00 0.00 41.96 39.22 1lkr s TYR 23 CO 0.00 -0.59 1.13 -1.54 -1.57 0.00 0.00 175.55 172.98 1lkr s SER 24 N 1.59 3.43 0.30 2.29 1.04 -1.26 -0.53 113.70 120.56 1lkr s SER 24 Ca 0.03 2.08 0.01 0.00 0.48 0.00 0.00 55.95 58.55 1lkr s SER 24 Cb -0.19 -2.55 0.71 0.00 0.10 0.00 0.00 66.02 64.09 1lkr s SER 24 CO 0.07 -2.76 1.58 0.25 0.98 0.00 0.00 173.24 173.36 1lkr h LEU 25 N -1.62 -0.42 -2.30 2.42 5.85 -1.88 0.79 115.31 118.15 1lkr h LEU 25 Ca -0.43 0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1lkr h LEU 25 Cb 1.26 0.45 -0.00 0.00 0.37 0.00 0.00 40.66 42.74 1lkr h LEU 25 CO 0.45 -0.32 -0.04 1.23 -0.34 0.00 0.00 178.44 179.42 1lkr h GLY 26 N 0.04 0.00 1.78 3.75 0.00 -1.90 0.65 103.07 107.39 1lkr h GLY 26 Ca 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.86 1lkr h GLY 26 CO -0.87 0.00 -0.09 3.43 0.00 0.00 0.00 176.54 179.01 1lkr h ASN 27 N 0.00 0.25 -0.24 0.19 2.35 0.37 -1.71 115.58 116.80 1lkr h ASN 27 Ca -0.00 -0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.60 1lkr h ASN 27 Cb 0.10 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1lkr h ASN 27 CO 0.00 0.38 -0.27 -0.50 -1.65 0.00 0.00 177.43 175.40 1lkr h TRP 28 N 0.26 0.73 -0.38 1.19 4.06 -0.94 0.19 115.95 121.06 1lkr h TRP 28 Ca 0.06 -0.23 -0.02 0.00 2.06 0.00 0.00 58.89 60.76 1lkr h TRP 28 Cb 0.34 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.33 1lkr h TRP 28 CO 0.01 0.94 0.17 0.28 -3.56 0.00 0.00 178.44 176.28 1lkr h VAL 29 N 0.30 1.18 -0.74 1.49 2.07 -1.21 -1.45 116.25 117.89 1lkr h VAL 29 Ca 0.03 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1lkr h VAL 29 Cb 0.84 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1lkr h VAL 29 CO 0.07 0.19 0.28 0.00 0.02 0.00 0.00 177.57 178.13 1lkr h ALA 31 N 1.14 0.54 -0.36 0.00 0.00 -0.67 -2.31 119.26 117.60 1lkr h ALA 31 Ca 0.24 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1lkr h ALA 31 Cb 0.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1lkr h ALA 31 CO -0.02 -0.14 -0.10 0.00 0.00 0.00 0.00 179.25 178.99 1lkr h ALA 32 N 1.23 1.16 -0.45 0.00 0.00 -0.97 0.78 119.26 121.01 1lkr h ALA 32 Ca 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1lkr h ALA 32 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1lkr h ALA 32 CO -0.14 0.53 0.26 -0.22 0.00 0.00 0.00 179.25 179.69 1lkr h LYS 33 N 0.56 0.62 0.00 0.00 1.63 -0.22 -2.45 116.57 116.71 1lkr h LYS 33 Ca 0.10 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1lkr h LYS 33 Cb 0.51 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1lkr h LYS 33 CO 0.03 0.48 -0.76 1.19 -3.45 0.00 0.00 179.45 176.94 1lkr n PHE 34 N -4.71 0.19 0.05 1.91 3.72 -0.91 -0.20 117.46 117.51 1lkr n PHE 34 Ca 0.01 0.06 -0.15 0.00 -0.05 0.00 0.00 57.45 57.31 1lkr n PHE 34 Cb 0.07 -0.37 -0.06 0.00 -0.94 0.00 0.00 39.48 38.18 1lkr n PHE 34 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1lkr h GLU 35 N 0.00 0.52 0.00 -1.08 4.39 0.55 -3.42 114.58 115.54 1lkr h GLU 35 Ca 0.00 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.16 1lkr h GLU 35 Cb 0.63 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1lkr h GLU 35 CO 0.00 1.17 0.00 -1.13 -1.16 0.00 0.00 179.01 177.89 1lkr n SER 36 N -3.80 0.15 -3.30 1.42 3.41 -0.96 -4.90 113.62 105.65 1lkr n SER 36 Ca -0.08 -1.01 -0.24 0.00 -0.26 0.00 0.00 58.87 57.28 1lkr n SER 36 Cb 0.83 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.82 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 -0.01 -5.58 -0.78 4.04 5.15 0.72 -1.57 115.26 117.23 1lkr n ASN 37 Ca 0.00 -0.41 -0.10 0.00 -0.60 0.00 0.00 54.58 53.47 1lkr n ASN 37 Cb 0.24 -4.49 -0.04 0.00 -0.53 0.00 0.00 39.78 34.95 1lkr n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1lkr n PHE 38 N -4.52 0.00 -3.87 1.20 3.72 -1.19 -4.84 117.46 107.95 1lkr n PHE 38 Ca -0.05 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.99 1lkr n PHE 38 Cb 0.58 -2.10 -0.14 0.00 -0.94 0.00 0.00 39.48 36.89 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 -2.69 4.55 0.65 4.37 3.84 -0.61 -1.28 114.94 123.77 1lkr s ASN 39 Ca 0.00 -0.48 0.42 0.00 0.21 0.00 0.00 52.86 53.01 1lkr s ASN 39 Cb 0.00 -1.78 2.25 0.00 -0.55 0.00 0.00 41.25 41.18 1lkr s ASN 39 CO 0.00 -0.06 2.32 0.71 -2.79 0.00 0.00 177.10 177.27 1lkr h THR 40 N 5.77 0.04 -0.02 -5.21 1.35 -1.52 -2.60 112.91 110.72 1lkr h THR 40 Ca -0.38 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1lkr h THR 40 Cb 1.15 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1lkr h THR 40 CO 0.60 0.00 -0.03 0.00 -0.25 0.00 0.00 175.52 175.84 1lkr n GLN 41 N -3.14 1.87 -1.71 4.72 6.02 -1.26 -4.02 117.38 119.86 1lkr n GLN 41 Ca -0.03 -1.33 -0.42 0.00 -0.01 0.00 0.00 57.00 55.21 1lkr n GLN 41 Cb 0.10 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 1lkr n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lkr s ALA 42 N -2.05 3.87 0.02 -1.58 0.00 -0.98 -4.76 121.76 116.29 1lkr s ALA 42 Ca 0.32 1.54 0.03 0.00 0.00 0.00 0.00 51.96 53.85 1lkr s ALA 42 Cb 0.20 -3.73 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 1lkr s ALA 42 CO 0.34 -1.05 -0.09 0.95 0.00 0.00 0.00 175.76 175.91 1lkr s THR 43 N 1.82 0.66 -0.09 0.00 -4.23 -1.26 0.22 115.64 112.75 1lkr s THR 43 Ca 0.78 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 1lkr s THR 43 Cb -0.48 -0.61 0.02 0.00 1.34 0.00 0.00 72.50 72.76 1lkr s THR 43 CO 0.34 -0.03 -0.07 0.21 -0.54 0.00 0.00 174.62 174.52 1lkr s ASN 44 N -0.78 1.95 0.04 3.99 2.47 -0.81 -4.98 114.94 116.82 1lkr s ASN 44 Ca -0.01 -0.26 -0.26 0.00 0.42 0.00 0.00 52.86 52.74 1lkr s ASN 44 Cb -0.06 -0.76 -0.05 0.00 -1.45 0.00 0.00 41.25 38.93 1lkr s ASN 44 CO 0.00 -0.10 0.82 -0.60 -3.72 0.00 0.00 177.10 173.51 1lkr s ARG 45 N 1.50 4.54 0.31 0.43 3.52 -1.26 -0.75 118.95 127.23 1lkr s ARG 45 Ca 0.00 1.17 0.07 0.00 -0.13 0.00 0.00 55.73 56.84 1lkr s ARG 45 Cb -0.13 -3.39 -0.02 0.00 -1.56 0.00 0.00 34.95 29.85 1lkr s ARG 45 CO -0.05 0.21 0.38 -0.80 -0.81 0.00 0.00 175.30 174.22 1lkr s ASN 46 N 0.17 5.78 0.51 -2.12 0.02 0.14 -4.94 114.94 114.50 1lkr s ASN 46 Ca 0.42 -0.25 0.29 0.00 -1.02 0.00 0.00 52.86 52.31 1lkr s ASN 46 Cb -0.21 -1.26 1.23 0.00 0.02 0.00 0.00 41.25 41.02 1lkr s ASN 46 CO 0.24 -0.32 1.94 0.71 0.02 0.00 0.00 177.10 179.69 1lkr h THR 47 N 1.09 0.28 -0.40 1.60 1.35 -1.97 -1.11 112.91 113.76 1lkr h THR 47 Ca -0.47 -0.74 -0.05 0.00 -0.55 0.00 0.00 66.41 64.60 1lkr h THR 47 Cb 1.25 1.58 -0.03 0.00 -1.73 0.00 0.00 68.15 69.22 1lkr h THR 47 CO 0.56 0.10 0.06 -0.90 -0.25 0.00 0.00 175.52 175.09 1lkr n ASP 48 N -3.27 3.89 0.00 5.36 5.75 -1.26 -4.91 116.55 122.11 1lkr n ASP 48 Ca 0.00 -2.64 0.00 0.00 -0.01 0.00 0.00 54.79 52.14 1lkr n ASP 48 Cb 0.34 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 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 0.25 3.09 3.98 6.12 0.00 -0.42 -5.00 105.19 113.21 1lkr n GLY 49 Ca 0.20 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 5.53 0.02 1.61 1.04 -1.26 -4.69 113.70 115.95 1lkr s SER 50 Ca 0.00 -0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.36 1lkr s SER 50 Cb 0.00 -0.95 -0.02 0.00 0.10 0.00 0.00 66.02 65.16 1lkr s SER 50 CO 0.00 -0.91 -0.09 -0.89 0.98 0.00 0.00 173.24 172.33 1lkr s THR 51 N -2.57 0.66 -0.12 2.02 2.01 -1.26 0.25 115.64 116.63 1lkr s THR 51 Ca 0.54 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.74 1lkr s THR 51 Cb -0.10 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1lkr s THR 51 CO 0.36 -0.10 0.03 -1.81 -0.69 0.00 0.00 174.62 172.41 1lkr s ASP 52 N -0.95 5.43 -0.11 3.53 1.01 0.07 -1.43 116.67 124.22 1lkr s ASP 52 Ca -0.03 0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.38 1lkr s ASP 52 Cb -0.07 -1.70 -0.02 0.00 1.01 0.00 0.00 42.92 42.14 1lkr s ASP 52 CO 0.00 0.31 -0.14 -0.31 0.21 0.00 0.00 175.17 175.25 1lkr s TYR 53 N -0.46 2.78 0.00 4.23 1.51 -0.14 -1.92 117.35 123.34 1lkr s TYR 53 Ca 0.09 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 1lkr s TYR 53 Cb -0.12 -1.78 0.00 0.00 -0.11 0.00 0.00 41.96 39.95 1lkr s TYR 53 CO 0.02 -0.10 0.00 0.41 -1.11 0.00 0.00 175.55 174.77 1lkr n GLY 54 N 3.18 -2.11 0.27 0.71 0.00 0.13 -1.77 105.19 105.60 1lkr n GLY 54 Ca -0.18 -1.43 0.11 0.00 0.00 0.00 0.00 46.02 44.53 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 0.74 -0.43 -0.61 2.10 -1.70 -1.45 117.51 116.16 1lkr h ILE 55 Ca 0.00 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.72 1lkr h ILE 55 Cb 0.00 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 36.86 1lkr h ILE 55 CO 0.00 0.06 0.00 0.18 -1.08 0.00 0.00 178.15 177.31 1lkr n LEU 56 N -4.03 3.16 -3.88 2.19 4.77 -1.26 -4.26 117.00 113.69 1lkr n LEU 56 Ca -0.03 -1.99 -0.38 0.00 -0.03 0.00 0.00 56.01 53.58 1lkr n LEU 56 Cb 0.14 -0.29 0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1lkr n LEU 56 CO 0.31 0.79 -0.13 0.00 -1.33 0.00 0.00 177.39 177.03 1lkr n GLN 57 N 0.78 -0.90 -2.99 3.23 1.13 -0.55 -4.90 117.38 113.17 1lkr n GLN 57 Ca 0.15 0.28 -0.40 0.00 -1.94 0.00 0.00 57.00 55.09 1lkr n GLN 57 Cb 0.47 -3.46 -0.05 0.00 0.11 0.00 0.00 30.24 27.31 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 -3.54 4.76 0.08 5.09 1.01 -0.73 -4.50 121.20 123.37 1lkr s ILE 58 Ca 0.45 1.60 -0.19 0.00 0.00 0.00 0.00 60.65 62.52 1lkr s ILE 58 Cb -0.20 -4.10 -0.07 0.00 0.01 0.00 0.00 42.46 38.10 1lkr s ILE 58 CO 0.91 0.36 0.56 0.21 0.00 0.00 0.00 174.94 176.98 1lkr s ASN 59 N -0.00 7.04 0.10 3.58 3.84 -1.26 -0.97 114.94 127.27 1lkr s ASN 59 Ca 0.38 1.24 0.21 0.00 0.21 0.00 0.00 52.86 54.91 1lkr s ASN 59 Cb -0.20 -2.35 0.86 0.00 -0.55 0.00 0.00 41.25 39.01 1lkr s ASN 59 CO 0.22 0.27 1.66 -1.54 -2.79 0.00 0.00 177.10 174.93 1lkr n SER 60 N 1.67 0.30 0.07 -4.21 3.41 -0.51 -1.25 113.62 113.09 1lkr n SER 60 Ca -0.10 0.56 -0.18 0.00 -0.26 0.00 0.00 58.87 58.89 1lkr n SER 60 Cb 0.51 -0.63 -0.14 0.00 -0.26 0.00 0.00 64.21 63.69 1lkr n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1lkr h ARG 61 N 0.00 0.28 0.00 4.33 2.43 -1.84 -3.41 114.38 116.17 1lkr h ARG 61 Ca 0.00 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1lkr h ARG 61 Cb 0.39 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1lkr h ARG 61 CO 0.00 1.15 -0.76 0.91 -1.51 0.00 0.00 179.97 179.77 1lkr n TRP 62 N -3.48 0.00 -0.06 2.20 7.02 -1.12 -1.85 117.44 120.14 1lkr n TRP 62 Ca -0.18 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.26 1lkr n TRP 62 Cb 1.05 -0.02 -0.12 0.00 -2.42 0.00 0.00 31.31 29.79 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 -1.39 0.00 -4.12 -5.99 7.02 -0.38 -0.50 117.44 112.08 1lkr n TRP 63 Ca -0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 1lkr n TRP 63 Cb 0.04 -0.67 -0.10 0.00 -2.42 0.00 0.00 31.31 28.16 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 -3.00 6.28 0.00 0.00 2.47 -0.66 -4.48 114.94 115.55 1lkr s ASN 65 Ca 0.17 0.32 0.15 0.00 0.42 0.00 0.00 52.86 53.92 1lkr s ASN 65 Cb 0.08 -2.17 -0.05 0.00 -1.45 0.00 0.00 41.25 37.66 1lkr s ASN 65 CO -0.03 -0.00 0.76 -0.90 -3.72 0.00 0.00 177.10 173.21 1lkr n ASP 66 N 4.36 1.32 0.00 -4.21 5.68 -1.26 -1.17 116.55 121.27 1lkr n ASP 66 Ca -0.12 -1.16 0.00 0.00 -0.50 0.00 0.00 54.79 53.02 1lkr n ASP 66 Cb 0.52 0.62 0.00 0.00 -1.14 0.00 0.00 41.12 41.11 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 1.18 0.19 0.13 6.12 0.00 -1.26 -4.77 105.19 106.78 1lkr n GLY 67 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 1lkr n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1lkr n ARG 68 N -1.06 1.24 -4.03 1.61 1.85 -1.26 -5.02 116.66 109.98 1lkr n ARG 68 Ca 0.00 -1.53 -0.31 0.00 -1.00 0.00 0.00 57.85 55.01 1lkr n ARG 68 Cb 0.18 -0.95 -0.16 0.00 -1.05 0.00 0.00 32.46 30.48 1lkr n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1lkr s THR 69 N -1.17 1.76 0.46 8.89 2.01 -1.26 -4.98 115.64 121.35 1lkr s THR 69 Ca 0.10 -0.95 -0.25 0.00 0.31 0.00 0.00 61.69 60.90 1lkr s THR 69 Cb 0.09 -1.74 -0.08 0.00 0.01 0.00 0.00 72.50 70.78 1lkr s THR 69 CO 0.01 0.30 1.40 -2.65 -0.69 0.00 0.00 174.62 172.99 1lkr n PRO 70 N 4.67 2.13 -1.82 4.92 -0.02 -1.26 -2.02 135.00 141.59 1lkr n PRO 70 Ca -0.16 0.76 -0.19 0.00 -2.02 0.00 0.00 63.50 61.88 1lkr n PRO 70 Cb 0.48 -2.59 -0.06 0.00 -0.02 0.00 0.00 33.50 31.31 1lkr n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lkr n GLY 71 N 0.64 1.10 3.57 -1.23 0.00 -1.26 -4.97 105.19 103.05 1lkr n GLY 71 Ca 0.06 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1lkr n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lkr n SER 72 N -1.27 0.30 0.00 1.61 2.88 -0.86 -4.95 113.62 111.33 1lkr n SER 72 Ca -0.20 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 1lkr n SER 72 Cb 0.64 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 1lkr n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1lkr n ARG 73 N -0.53 0.84 -4.19 -1.46 1.74 -0.77 -5.02 116.66 107.27 1lkr n ARG 73 Ca 0.12 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.84 1lkr n ARG 73 Cb 0.46 -0.99 -0.05 0.00 -1.02 0.00 0.00 32.46 30.86 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 -1.57 -1.15 0.14 0.55 5.15 -1.10 -4.82 115.26 112.46 1lkr n ASN 74 Ca 0.00 -1.26 0.13 0.00 -0.60 0.00 0.00 54.58 52.84 1lkr n ASN 74 Cb 0.09 -1.76 0.46 0.00 -0.53 0.00 0.00 39.78 38.04 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 -2.12 0.00 -1.23 1.20 3.38 -0.79 -0.86 115.31 114.88 1lkr h LEU 75 Ca -0.68 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1lkr h LEU 75 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1lkr h LEU 75 CO 0.63 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.16 1lkr n ASN 77 N 0.47 -5.07 -3.73 0.00 4.05 -0.33 -4.99 115.26 105.66 1lkr n ASN 77 Ca 0.18 -0.59 -0.10 0.00 0.45 0.00 0.00 54.58 54.51 1lkr n ASN 77 Cb 0.40 -4.90 -0.06 0.00 1.23 0.00 0.00 39.78 36.45 1lkr n ASN 77 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1lkr s ILE 78 N -3.34 0.09 0.38 -1.44 1.10 -1.26 -5.05 121.20 111.67 1lkr s ILE 78 Ca 0.44 -0.76 -0.26 0.00 -0.51 0.00 0.00 60.65 59.56 1lkr s ILE 78 Cb -0.20 -1.13 -0.09 0.00 0.15 0.00 0.00 42.46 41.19 1lkr s ILE 78 CO 0.74 -0.42 1.11 -2.16 -2.11 0.00 0.00 174.94 172.10 1lkr s PRO 79 N -3.36 4.21 0.43 3.50 0.04 -1.26 -1.66 135.00 136.90 1lkr s PRO 79 Ca 0.01 1.71 0.10 0.00 0.04 0.00 0.00 61.00 62.85 1lkr s PRO 79 Cb 0.02 -2.73 0.94 0.00 0.04 0.00 0.00 34.50 32.77 1lkr s PRO 79 CO -0.09 -0.14 2.05 0.00 0.04 0.00 0.00 177.00 178.86 1lkr h SER 81 N 0.47 0.00 0.95 0.00 4.64 -1.91 0.50 113.55 118.19 1lkr h SER 81 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1lkr h SER 81 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1lkr h SER 81 CO -0.04 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 1lkr h ALA 82 N 1.97 1.00 -0.00 5.18 0.00 -1.73 -2.25 119.26 123.43 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 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1lkr h ALA 82 CO 0.00 0.00 -0.01 1.28 0.00 0.00 0.00 179.25 180.52 1lkr n LEU 83 N -2.85 0.27 -1.96 0.00 4.77 0.17 -3.27 117.00 114.13 1lkr n LEU 83 Ca 0.01 -0.05 -0.01 0.00 -0.03 0.00 0.00 56.01 55.94 1lkr n LEU 83 Cb 0.29 -0.05 0.34 0.00 -2.33 0.00 0.00 43.42 41.67 1lkr n LEU 83 CO 0.25 0.05 0.97 0.18 -1.33 0.00 0.00 177.39 177.50 1lkr n LEU 84 N -0.85 5.92 -4.82 2.23 4.77 -0.84 -4.20 117.00 119.21 1lkr n LEU 84 Ca 0.21 -3.05 -0.31 0.00 -0.03 0.00 0.00 56.01 52.83 1lkr n LEU 84 Cb 0.18 -0.72 0.06 0.00 -2.33 0.00 0.00 43.42 40.60 1lkr n LEU 84 CO 0.19 0.72 0.71 -0.94 -1.33 0.00 0.00 177.39 176.74 1lkr s SER 85 N -0.88 5.18 0.05 -1.43 1.04 -1.20 -4.55 113.70 111.90 1lkr s SER 85 Ca 0.54 1.56 0.24 0.00 0.48 0.00 0.00 55.95 58.77 1lkr s SER 85 Cb 0.42 -2.40 0.33 0.00 0.10 0.00 0.00 66.02 64.47 1lkr s SER 85 CO 0.14 -1.57 1.28 -1.20 0.98 0.00 0.00 173.24 172.88 1lkr n SER 86 N -3.20 0.60 -4.76 7.02 7.64 -1.26 -4.62 113.62 115.04 1lkr n SER 86 Ca 0.07 -0.13 -0.37 0.00 1.01 0.00 0.00 58.87 59.46 1lkr n SER 86 Cb 0.54 0.36 -0.07 0.00 -1.01 0.00 0.00 64.21 64.03 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 -3.63 6.52 0.00 6.43 2.15 -1.26 -4.96 116.67 121.92 1lkr s ASP 87 Ca 0.08 0.62 0.14 0.00 0.43 0.00 0.00 52.55 53.81 1lkr s ASP 87 Cb 0.15 -2.19 0.45 0.00 -0.30 0.00 0.00 42.92 41.03 1lkr s ASP 87 CO 0.73 0.16 1.35 2.30 -0.17 0.00 0.00 175.17 179.54 1lkr n ILE 88 N 3.10 0.37 -0.34 4.11 -5.35 -1.26 -4.49 119.36 115.50 1lkr n ILE 88 Ca -0.13 -0.41 -0.04 0.00 -0.27 0.00 0.00 62.75 61.91 1lkr n ILE 88 Cb 0.52 0.25 0.09 0.00 -1.74 0.00 0.00 39.64 38.77 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 1.98 1.25 -0.51 7.28 2.02 -1.95 -1.30 112.91 121.67 1lkr h THR 89 Ca 0.00 -0.57 -0.10 0.00 0.77 0.00 0.00 66.41 66.50 1lkr h THR 89 Cb 0.45 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 1lkr h THR 89 CO 0.00 0.27 -0.08 0.00 0.37 0.00 0.00 175.52 176.08 1lkr h ALA 90 N 1.29 0.70 -0.71 6.16 0.00 -1.88 -1.96 119.26 122.86 1lkr h ALA 90 Ca 0.32 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1lkr h ALA 90 Cb -0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1lkr h ALA 90 CO -0.06 0.59 0.18 0.77 0.00 0.00 0.00 179.25 180.73 1lkr h SER 91 N 0.83 1.07 -0.40 0.00 0.02 -1.73 -1.60 113.55 111.74 1lkr h SER 91 Ca 0.14 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1lkr h SER 91 Cb 0.63 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 1lkr h SER 91 CO 0.04 1.02 0.24 0.58 -1.14 0.00 0.00 176.83 177.57 1lkr h VAL 92 N 1.07 1.05 -0.09 2.27 2.07 -1.12 0.30 116.25 121.80 1lkr h VAL 92 Ca 0.22 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1lkr h VAL 92 Cb 0.36 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1lkr h VAL 92 CO 0.00 0.09 0.06 0.78 0.02 0.00 0.00 177.57 178.52 1lkr h ASN 93 N 0.49 0.11 -0.35 0.57 -0.26 -1.33 0.12 115.58 114.92 1lkr h ASN 93 Ca 0.16 -0.03 -0.17 0.00 -0.56 0.00 0.00 56.30 55.70 1lkr h ASN 93 Cb -0.00 -0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 37.23 1lkr h ASN 93 CO -0.07 0.10 -0.45 0.00 -1.06 0.00 0.00 177.43 175.96 1lkr h ALA 95 N 0.74 1.54 0.00 0.00 0.00 0.15 -1.50 119.26 120.18 1lkr h ALA 95 Ca 0.04 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1lkr h ALA 95 Cb 1.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1lkr h ALA 95 CO 0.11 0.34 -0.42 0.87 0.00 0.00 0.00 179.25 180.15 1lkr h LYS 96 N 0.04 0.00 -0.07 0.00 1.57 -0.61 -1.24 116.57 116.26 1lkr h LYS 96 Ca 0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1lkr h LYS 96 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1lkr h LYS 96 CO 0.03 0.42 -0.27 -0.22 -0.57 0.00 0.00 179.45 178.84 1lkr h LYS 97 N 0.00 0.32 -0.82 3.15 3.64 -1.21 -3.12 116.57 118.52 1lkr h LYS 97 Ca -0.00 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.11 1lkr h LYS 97 Cb 0.78 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.61 1lkr h LYS 97 CO 0.05 0.87 0.41 0.82 -2.27 0.00 0.00 179.45 179.34 1lkr h ILE 98 N -0.17 1.25 0.00 2.00 2.04 -0.77 -2.83 117.51 119.03 1lkr h ILE 98 Ca -0.01 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1lkr h ILE 98 Cb 0.91 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1lkr h ILE 98 CO 0.06 0.30 -0.03 1.62 0.00 0.00 0.00 178.15 180.09 1lkr h VAL 99 N 1.15 0.10 -0.63 1.67 3.04 -1.33 -2.34 116.25 117.90 1lkr h VAL 99 Ca 0.28 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1lkr h VAL 99 Cb 0.10 1.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 1lkr h VAL 99 CO -0.04 0.03 0.00 -1.20 -1.01 0.00 0.00 177.57 175.35 1lkr n SER 100 N -3.16 4.83 -1.42 3.17 7.64 -1.07 -3.65 113.62 119.95 1lkr n SER 100 Ca -0.00 -2.50 0.07 0.00 1.01 0.00 0.00 58.87 57.45 1lkr n SER 100 Cb 0.27 -0.59 0.30 0.00 -1.01 0.00 0.00 64.21 63.18 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 1.06 4.18 0.00 6.43 2.03 -0.88 -4.89 116.55 124.48 1lkr n ASP 101 Ca 0.26 -2.44 0.00 0.00 0.52 0.00 0.00 54.79 53.13 1lkr n ASP 101 Cb 0.92 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 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 0.92 0.82 0.15 0.27 0.00 -1.26 -4.95 105.19 101.13 1lkr n GLY 102 Ca 0.22 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.26 1lkr n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1lkr n ASN 103 N 0.00 1.14 0.00 1.61 3.02 -1.26 -5.12 115.26 114.64 1lkr n ASN 103 Ca 0.00 -2.09 0.00 0.00 -0.03 0.00 0.00 54.58 52.46 1lkr n ASN 103 Cb 0.00 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 1lkr n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lkr n GLY 104 N -0.53 1.29 0.00 7.41 0.00 -1.24 -1.77 105.19 110.35 1lkr n GLY 104 Ca 0.05 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 2.69 0.74 0.28 1.61 2.81 -1.26 -3.62 117.12 120.37 1lkr n MET 105 Ca 0.00 0.01 0.16 0.00 -1.81 0.00 0.00 57.70 56.06 1lkr n MET 105 Cb 0.00 -1.50 0.84 0.00 -0.71 0.00 0.00 33.22 31.85 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 0.00 0.00 0.64 7.83 2.35 -1.76 -0.09 115.58 124.55 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 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1lkr h ASN 106 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 1lkr h ALA 107 N 1.65 1.00 -2.83 -0.83 0.00 -1.72 -3.39 119.26 113.14 1lkr h ALA 107 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 1lkr h ALA 107 Cb 0.32 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.93 1lkr h ALA 107 CO 0.00 0.00 -0.51 -1.58 0.00 0.00 0.00 179.25 177.16 1lkr s TRP 108 N -3.82 3.21 0.25 0.00 0.51 -0.05 -4.99 118.94 114.05 1lkr s TRP 108 Ca -0.01 -0.12 -0.01 0.00 -2.12 0.00 0.00 56.10 53.85 1lkr s TRP 108 Cb 0.10 -2.41 0.30 0.00 -0.81 0.00 0.00 33.47 30.66 1lkr s TRP 108 CO 0.48 -0.28 1.67 0.28 -0.51 0.00 0.00 176.95 178.60 1lkr h VAL 109 N 5.46 1.27 0.00 4.03 2.07 -1.86 -2.18 116.25 125.04 1lkr h VAL 109 Ca -0.33 -1.32 -0.10 0.00 0.82 0.00 0.00 66.70 65.76 1lkr h VAL 109 Cb 1.17 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1lkr h VAL 109 CO 0.59 0.43 -0.48 0.00 0.02 0.00 0.00 177.57 178.13 1lkr h ALA 110 N 1.20 0.83 -0.25 1.67 0.00 -1.93 -2.21 119.26 118.57 1lkr h ALA 110 Ca 0.07 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1lkr h ALA 110 Cb 0.72 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1lkr h ALA 110 CO 0.06 0.60 0.02 2.35 0.00 0.00 0.00 179.25 182.27 1lkr h TRP 111 N 0.00 0.47 -0.11 0.00 7.01 -1.76 0.15 115.95 121.71 1lkr h TRP 111 Ca -0.00 -0.08 0.04 0.00 2.11 0.00 0.00 58.89 60.96 1lkr h TRP 111 Cb 1.14 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 28.04 1lkr h TRP 111 CO 0.00 0.58 -0.13 -0.09 -2.79 0.00 0.00 178.44 176.02 1lkr h ARG 112 N 0.23 -0.15 0.00 2.65 2.43 -1.16 0.41 114.38 118.79 1lkr h ARG 112 Ca 0.07 0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.09 1lkr h ARG 112 Cb 0.38 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1lkr h ARG 112 CO 0.01 -0.10 -0.82 -0.91 -1.51 0.00 0.00 179.97 176.64 1lkr h ASN 113 N -0.16 0.00 0.00 -3.80 2.35 -1.37 -3.34 115.58 109.27 1lkr h ASN 113 Ca 0.08 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1lkr h ASN 113 Cb 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 1lkr h ASN 113 CO -0.21 0.77 -1.28 0.54 -1.65 0.00 0.00 177.43 175.60 1lkr n ARG 114 N -3.27 0.47 -0.01 0.81 1.74 0.52 -4.87 116.66 112.06 1lkr n ARG 114 Ca 0.00 -0.05 -0.01 0.00 -0.77 0.00 0.00 57.85 57.02 1lkr n ARG 114 Cb 0.85 -1.14 -0.01 0.00 -1.02 0.00 0.00 32.46 31.14 1lkr n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lkr n LYS 116 N -2.40 2.41 -0.03 0.00 4.81 0.49 -2.35 118.16 121.09 1lkr n LYS 116 Ca -0.02 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 1lkr n LYS 116 Cb 0.53 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.98 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 2.28 1.59 3.92 3.14 0.00 -1.26 -4.96 105.19 109.90 1lkr n GLY 117 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.57 2.85 -1.28 2.61 -4.23 -0.99 -4.97 115.64 107.06 1lkr s THR 118 Ca 0.00 -0.09 -0.17 0.00 -1.18 0.00 0.00 61.69 60.25 1lkr s THR 118 Cb 0.00 -3.20 0.10 0.00 1.34 0.00 0.00 72.50 70.74 1lkr s THR 118 CO 0.00 -0.22 1.66 -0.67 -0.54 0.00 0.00 174.62 174.85 1lkr n ASP 119 N -2.83 5.01 0.27 3.99 -0.08 -1.26 -4.83 116.55 116.82 1lkr n ASP 119 Ca 0.07 -2.94 0.14 0.00 -1.51 0.00 0.00 54.79 50.55 1lkr n ASP 119 Cb 0.59 -1.70 0.78 0.00 2.34 0.00 0.00 41.12 43.14 1lkr n ASP 119 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1lkr h VAL 120 N 5.27 0.52 0.00 5.18 -1.51 -1.91 -2.60 116.25 121.20 1lkr h VAL 120 Ca 0.41 -0.42 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 1lkr h VAL 120 Cb 0.87 1.27 -0.00 0.00 -2.13 0.00 0.00 31.29 31.30 1lkr h VAL 120 CO 1.40 0.09 -0.04 1.56 -1.23 0.00 0.00 177.57 179.35 1lkr h GLN 121 N 0.00 0.00 0.00 5.19 4.20 -1.88 -0.33 115.11 122.30 1lkr h GLN 121 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1lkr h GLN 121 Cb 0.27 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 1lkr h GLN 121 CO 0.01 0.04 -0.00 0.00 -0.67 0.00 0.00 178.83 178.21 1lkr h ALA 122 N 1.96 1.80 0.00 3.87 0.00 -1.86 -2.21 119.26 122.82 1lkr h ALA 122 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1lkr h ALA 122 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1lkr h ALA 122 CO 0.01 0.00 0.00 0.91 0.00 0.00 0.00 179.25 180.17 1lkr n TRP 123 N -4.25 0.00 -0.55 0.00 7.02 -0.13 -2.04 117.44 117.48 1lkr n TRP 123 Ca -0.03 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.53 1lkr n TRP 123 Cb 0.09 -0.08 0.25 0.00 -2.42 0.00 0.00 31.31 29.16 1lkr n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1lkr n ILE 124 N -1.08 1.62 -1.59 -0.99 -5.35 -0.83 -4.88 119.36 106.26 1lkr n ILE 124 Ca 0.17 -1.31 -0.34 0.00 -0.27 0.00 0.00 62.75 61.01 1lkr n ILE 124 Cb 0.12 0.18 0.07 0.00 -1.74 0.00 0.00 39.64 38.27 1lkr n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1lkr s ARG 125 N -1.77 2.41 0.00 6.28 1.70 -0.87 -1.26 118.95 125.45 1lkr s ARG 125 Ca 0.38 1.70 0.00 0.00 -0.47 0.00 0.00 55.73 57.34 1lkr s ARG 125 Cb 0.25 -1.87 0.00 0.00 -0.57 0.00 0.00 34.95 32.76 1lkr s ARG 125 CO 0.17 -1.62 0.00 0.41 -1.08 0.00 0.00 175.30 173.19 1lkr n GLY 126 N 0.24 1.21 3.72 3.88 0.00 -1.26 -4.97 105.19 108.02 1lkr n GLY 126 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1lkr n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lkr s ARG 128 N 0.37 3.49 0.00 0.00 0.52 -1.26 -5.09 118.95 116.97 1lkr s ARG 128 Ca 0.51 -1.86 0.02 0.00 -0.52 0.00 0.00 55.73 53.88 1lkr s ARG 128 Cb -0.25 -4.64 0.02 0.00 0.52 0.00 0.00 34.95 30.60 1lkr s ARG 128 CO 0.30 -1.59 0.57 1.28 0.02 0.00 0.00 175.30 175.88