#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl s ARG 3 N 0.00 3.91 -0.43 0.54 3.52 -1.26 -5.05 118.95 120.19 2wdl s ARG 3 Ca 0.00 0.43 0.03 0.00 -0.13 0.00 0.00 55.73 56.06 2wdl s ARG 3 Cb 0.00 -2.74 0.15 0.00 -1.56 0.00 0.00 34.95 30.81 2wdl s ARG 3 CO 0.00 0.36 0.30 0.00 -0.81 0.00 0.00 175.30 175.15 2wdl s ALA 4 N -1.69 1.67 0.69 6.12 0.00 -1.26 -5.12 121.76 122.18 2wdl s ALA 4 Ca 0.44 -2.45 -0.16 0.00 0.00 0.00 0.00 51.96 49.80 2wdl s ALA 4 Cb -0.13 -1.72 0.02 0.00 0.00 0.00 0.00 23.12 21.29 2wdl s ALA 4 CO 0.20 -2.05 1.19 -1.59 0.00 0.00 0.00 175.76 173.52 2wdl s LYS 5 N 0.27 2.40 0.04 0.00 -2.85 -1.26 -4.93 119.74 113.41 2wdl s LYS 5 Ca 0.24 1.72 -0.10 0.00 -1.00 0.00 0.00 55.97 56.83 2wdl s LYS 5 Cb -0.11 -1.87 -0.04 0.00 -2.06 0.00 0.00 37.83 33.75 2wdl s LYS 5 CO -0.09 -1.63 1.17 1.15 0.10 0.00 0.00 175.35 176.05 2wdl h THR 6 N -0.01 0.00 0.00 3.79 2.02 -2.04 -3.46 112.91 113.20 2wdl h THR 6 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 2wdl h THR 6 Cb 1.29 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2wdl h THR 6 CO 0.51 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.01 2wdl n GLY 7 N -1.13 0.73 0.22 2.16 0.00 -1.26 -4.02 105.19 101.89 2wdl n GLY 7 Ca -0.02 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.12 2wdl n GLY 7 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wdl h VAL 8 N 0.00 0.62 0.00 1.61 2.07 -2.03 -3.37 116.25 115.15 2wdl h VAL 8 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2wdl h VAL 8 Cb 0.00 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2wdl h VAL 8 CO 0.00 0.00 0.00 0.52 0.02 0.00 0.00 177.57 178.11 2wdl n VAL 9 N -5.30 0.00 -0.05 2.57 0.31 -1.26 -1.76 118.33 112.83 2wdl n VAL 9 Ca -0.09 0.09 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 2wdl n VAL 9 Cb 0.22 -0.12 -0.02 0.00 -0.91 0.00 0.00 33.84 33.01 2wdl n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wdl h ARG 10 N 0.00 -0.07 -0.93 5.55 2.43 -1.85 -1.30 114.38 118.22 2wdl h ARG 10 Ca 0.00 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 2wdl h ARG 10 Cb 0.00 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.49 2wdl h ARG 10 CO 0.00 -0.04 0.56 -0.09 -1.51 0.00 0.00 179.97 178.89 2wdl h ARG 11 N -0.07 0.89 -0.06 0.20 2.43 -1.57 -2.05 114.38 114.14 2wdl h ARG 11 Ca 0.12 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2wdl h ARG 11 Cb 0.26 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2wdl h ARG 11 CO -0.28 0.59 0.04 0.00 -1.51 0.00 0.00 179.97 178.80 2wdl h ARG 12 N 0.91 0.09 -0.16 0.20 3.08 -0.98 -0.27 114.38 117.26 2wdl h ARG 12 Ca 0.45 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.52 2wdl h ARG 12 Cb 0.43 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2wdl h ARG 12 CO -0.26 0.10 0.11 0.87 -1.07 0.00 0.00 179.97 179.73 2wdl h LYS 13 N 0.05 0.11 0.23 0.04 1.79 -1.03 -2.55 116.57 115.21 2wdl h LYS 13 Ca 0.02 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2wdl h LYS 13 Cb 0.04 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2wdl h LYS 13 CO -0.00 0.08 -0.11 0.45 -1.08 0.00 0.00 179.45 178.78 2wdl h HIS 14 N 0.12 -0.28 -0.20 -1.35 3.86 -0.67 -3.11 115.15 113.52 2wdl h HIS 14 Ca 0.07 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.33 2wdl h HIS 14 Cb 0.13 0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 2wdl h HIS 14 CO -0.00 -0.01 0.18 1.57 0.86 0.00 0.00 177.93 180.53 2wdl h LYS 15 N -1.01 0.00 -0.31 2.45 -0.00 -1.04 -1.05 116.57 115.61 2wdl h LYS 15 Ca -0.03 0.00 0.04 0.00 -0.00 0.00 0.00 60.65 60.66 2wdl h LYS 15 Cb 0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.60 2wdl h LYS 15 CO 0.05 0.00 0.07 -0.22 -0.00 0.00 0.00 179.45 179.36 2wdl h LYS 16 N 0.00 0.19 -0.02 0.07 3.64 -1.47 0.18 116.57 119.16 2wdl h LYS 16 Ca 0.09 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.26 2wdl h LYS 16 Cb 0.44 -0.04 0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2wdl h LYS 16 CO -0.00 0.12 -0.79 0.82 -2.27 0.00 0.00 179.45 177.33 2wdl h ILE 17 N 0.19 1.35 -0.91 2.00 1.08 -1.16 -3.13 117.51 116.93 2wdl h ILE 17 Ca 0.14 -2.12 0.11 0.00 -0.39 0.00 0.00 64.86 62.61 2wdl h ILE 17 Cb 0.14 2.42 -0.07 0.00 -3.07 0.00 0.00 36.82 36.24 2wdl h ILE 17 CO -0.18 0.64 0.58 -0.07 -0.69 0.00 0.00 178.15 178.44 2wdl h LEU 18 N 0.18 0.79 -1.28 1.44 3.38 -0.99 0.25 115.31 119.07 2wdl h LEU 18 Ca -0.09 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2wdl h LEU 18 Cb 1.47 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.05 2wdl h LEU 18 CO 0.16 0.44 0.49 0.50 0.09 0.00 0.00 178.44 180.12 2wdl h LYS 19 N 0.86 0.95 0.00 1.13 3.64 -0.59 0.57 116.57 123.13 2wdl h LYS 19 Ca 0.44 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.73 2wdl h LYS 19 Cb 0.50 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2wdl h LYS 19 CO -0.20 0.63 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.40 2wdl h LEU 20 N 0.98 0.00 0.00 5.20 -0.00 -0.52 -2.89 115.31 118.07 2wdl h LEU 20 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.16 2wdl h LEU 20 Cb -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 2wdl h LEU 20 CO -0.07 0.14 -0.55 0.00 -0.00 0.00 0.00 178.44 177.97 2wdl n ALA 21 N -2.28 3.18 -1.73 1.53 0.00 0.16 -4.92 120.51 116.45 2wdl n ALA 21 Ca -0.01 -0.29 -0.65 0.00 0.00 0.00 0.00 53.44 52.48 2wdl n ALA 21 Cb 0.27 -1.16 -0.09 0.00 0.00 0.00 0.00 19.45 18.47 2wdl n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wdl n LYS 22 N -1.80 0.24 0.00 0.00 4.76 -0.98 -0.94 118.16 119.45 2wdl n LYS 22 Ca 0.04 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2wdl n LYS 22 Cb 0.39 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 2wdl n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdl n GLY 23 N 3.90 1.13 3.74 0.72 0.00 -1.26 -5.10 105.19 108.32 2wdl n GLY 23 Ca 0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 2wdl n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wdl s TYR 24 N -1.48 2.33 0.31 1.61 4.12 -0.11 -4.98 117.35 119.15 2wdl s TYR 24 Ca 0.00 1.62 -0.29 0.00 0.02 0.00 0.00 57.07 58.42 2wdl s TYR 24 Cb 0.00 -3.14 -0.10 0.00 -1.52 0.00 0.00 41.96 37.20 2wdl s TYR 24 CO 0.00 -2.07 1.18 -0.46 0.02 0.00 0.00 175.55 174.22 2wdl s TRP 25 N -2.78 3.34 0.00 2.71 -0.11 -1.26 -4.32 118.94 116.52 2wdl s TRP 25 Ca 0.63 1.59 0.00 0.00 1.22 0.00 0.00 56.10 59.54 2wdl s TRP 25 Cb -0.19 -3.43 0.00 0.00 -1.50 0.00 0.00 33.47 28.35 2wdl s TRP 25 CO 0.55 -1.08 0.00 0.41 -4.62 0.00 0.00 176.95 172.22 2wdl n GLY 26 N 0.98 1.62 0.22 5.86 0.00 -1.26 -0.77 105.19 111.84 2wdl n GLY 26 Ca -0.00 0.27 0.05 0.00 0.00 0.00 0.00 46.02 46.34 2wdl n GLY 26 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wdl h LEU 27 N 0.00 0.00 -0.12 0.99 3.38 -1.99 -2.92 115.31 114.66 2wdl h LEU 27 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wdl h LEU 27 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wdl h LEU 27 CO 0.00 0.22 0.14 0.54 0.09 0.00 0.00 178.44 179.43 2wdl n ARG 28 N -4.21 0.01 0.00 1.13 1.74 0.05 -0.38 116.66 115.01 2wdl n ARG 28 Ca -0.02 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 2wdl n ARG 28 Cb 0.28 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 2wdl n ARG 28 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2wdl n SER 29 N -1.45 0.87 -0.07 0.55 3.41 -1.10 -3.33 113.62 112.49 2wdl n SER 29 Ca -0.00 -1.14 -0.12 0.00 -0.26 0.00 0.00 58.87 57.35 2wdl n SER 29 Cb 0.15 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 2wdl n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wdl n LYS 30 N -0.07 0.36 -2.61 4.33 4.76 0.49 -4.75 118.16 120.67 2wdl n LYS 30 Ca 0.00 0.10 -0.43 0.00 -2.87 0.00 0.00 58.31 55.11 2wdl n LYS 30 Cb 0.11 -1.24 -0.02 0.00 -1.84 0.00 0.00 35.03 32.05 2wdl n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wdl s SER 31 N -5.66 6.91 0.00 4.39 0.15 -0.22 -4.91 113.70 114.36 2wdl s SER 31 Ca -0.20 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.53 2wdl s SER 31 Cb 0.06 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2wdl s SER 31 CO 0.32 -0.90 0.00 2.22 1.20 0.00 0.00 173.24 176.08 2wdl n PHE 32 N 6.94 0.00 -2.38 3.44 -1.74 -1.26 -0.83 117.46 121.63 2wdl n PHE 32 Ca 0.12 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.99 2wdl n PHE 32 Cb 0.47 0.00 0.05 0.00 1.52 0.00 0.00 39.48 41.52 2wdl n PHE 32 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 2wdl n ARG 33 N 0.24 0.68 0.00 3.97 1.85 -1.26 -4.61 116.66 117.52 2wdl n ARG 33 Ca 0.00 -0.84 0.00 0.00 -1.00 0.00 0.00 57.85 56.01 2wdl n ARG 33 Cb 0.00 0.38 0.00 0.00 -1.05 0.00 0.00 32.46 31.79 2wdl n ARG 33 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2wdl n LYS 34 N -0.77 0.82 0.05 2.89 4.76 -0.01 -4.40 118.16 121.49 2wdl n LYS 34 Ca -0.16 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.20 2wdl n LYS 34 Cb 0.71 -0.60 0.05 0.00 -1.84 0.00 0.00 35.03 33.35 2wdl n LYS 34 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wdl h ALA 35 N 0.00 0.66 0.65 7.82 0.00 -1.26 0.30 119.26 127.44 2wdl h ALA 35 Ca 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 2wdl h ALA 35 Cb 0.21 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.93 2wdl h ALA 35 CO 0.00 0.75 -0.31 -0.09 0.00 0.00 0.00 179.25 179.60 2wdl h ARG 36 N 0.27 -0.84 -0.78 0.00 2.43 -1.79 0.78 114.38 114.45 2wdl h ARG 36 Ca -0.02 0.06 0.18 0.00 -0.81 0.00 0.00 59.98 59.39 2wdl h ARG 36 Cb 1.24 0.19 -0.13 0.00 -0.42 0.00 0.00 29.97 30.85 2wdl h ARG 36 CO 0.12 -0.56 0.07 0.93 -1.51 0.00 0.00 179.97 179.01 2wdl h GLU 37 N -1.05 0.14 -0.10 0.20 5.08 -1.75 0.45 114.58 117.53 2wdl h GLU 37 Ca -0.09 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2wdl h GLU 37 Cb 0.67 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2wdl h GLU 37 CO 0.15 0.09 -0.06 1.15 -1.00 0.00 0.00 179.01 179.34 2wdl h THR 38 N 0.14 1.33 -0.30 1.13 2.02 -0.29 -2.92 112.91 114.02 2wdl h THR 38 Ca 0.44 -1.11 0.09 0.00 0.77 0.00 0.00 66.41 66.60 2wdl h THR 38 Cb 0.80 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 2wdl h THR 38 CO -0.65 0.31 0.24 -0.07 0.37 0.00 0.00 175.52 175.73 2wdl h LEU 39 N -0.14 0.00 0.00 2.58 3.38 0.19 -1.85 115.31 119.46 2wdl h LEU 39 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2wdl h LEU 39 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2wdl h LEU 39 CO 0.02 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.04 2wdl n PHE 40 N -4.25 0.00 -0.16 1.13 0.99 0.02 -1.05 117.46 114.15 2wdl n PHE 40 Ca 0.04 0.00 0.26 0.00 -0.00 0.00 0.00 57.45 57.76 2wdl n PHE 40 Cb 0.40 -0.41 0.70 0.00 -1.00 0.00 0.00 39.48 39.17 2wdl n PHE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wdl h ALA 41 N -1.97 2.73 -0.33 4.37 0.00 -1.50 0.15 119.26 122.70 2wdl h ALA 41 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2wdl h ALA 41 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2wdl h ALA 41 CO 0.00 -0.97 -0.33 0.00 0.00 0.00 0.00 179.25 177.95 2wdl h ALA 42 N 1.59 0.81 -0.31 0.00 0.00 -1.19 -1.80 119.26 118.37 2wdl h ALA 42 Ca 0.40 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2wdl h ALA 42 Cb 1.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2wdl h ALA 42 CO -0.02 0.65 -0.42 0.78 0.00 0.00 0.00 179.25 180.24 2wdl h GLY 43 N 0.96 0.82 2.00 0.00 0.00 0.97 -2.42 103.07 105.40 2wdl h GLY 43 Ca 0.07 -0.85 -0.10 0.00 0.00 0.00 0.00 47.33 46.45 2wdl h GLY 43 CO 0.07 0.76 -0.46 3.43 0.00 0.00 0.00 176.54 180.35 2wdl h ASN 44 N 0.61 0.00 0.50 0.19 2.35 -1.27 -2.64 115.58 115.32 2wdl h ASN 44 Ca 0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2wdl h ASN 44 Cb 0.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.34 2wdl h ASN 44 CO 0.09 0.46 -0.24 1.88 -1.65 0.00 0.00 177.43 177.97 2wdl h TYR 45 N 0.00 -0.63 -0.97 1.19 0.99 -1.19 -1.25 116.97 115.11 2wdl h TYR 45 Ca -0.00 -0.01 0.16 0.00 2.00 0.00 0.00 58.73 60.87 2wdl h TYR 45 Cb 0.91 0.21 -0.16 0.00 1.00 0.00 0.00 36.73 38.68 2wdl h TYR 45 CO 0.00 -0.30 -0.37 0.00 -0.00 0.00 0.00 178.16 177.49 2wdl h ALA 46 N -0.76 0.22 0.47 3.88 0.00 -1.36 0.72 119.26 122.43 2wdl h ALA 46 Ca -0.07 0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2wdl h ALA 46 Cb 0.60 0.96 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2wdl h ALA 46 CO 0.11 -0.59 -0.23 -0.92 0.00 0.00 0.00 179.25 177.62 2wdl h TYR 47 N -0.01 -0.59 -0.15 0.00 3.20 -1.43 0.84 116.97 118.83 2wdl h TYR 47 Ca 0.36 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.25 2wdl h TYR 47 Cb 0.61 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 2wdl h TYR 47 CO -0.84 -0.35 0.10 0.00 -1.64 0.00 0.00 178.16 175.43 2wdl h ALA 48 N -0.16 2.07 0.08 1.82 0.00 0.12 -2.98 119.26 120.21 2wdl h ALA 48 Ca -0.07 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2wdl h ALA 48 Cb 0.51 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.31 2wdl h ALA 48 CO 0.11 -0.11 -0.62 0.45 0.00 0.00 0.00 179.25 179.08 2wdl h HIS 49 N 0.05 0.48 -0.98 0.00 3.86 0.73 -2.87 115.15 116.42 2wdl h HIS 49 Ca 0.07 -0.31 0.22 0.00 -1.16 0.00 0.00 60.37 59.18 2wdl h HIS 49 Cb 0.20 -0.03 -0.09 0.00 1.06 0.00 0.00 27.41 28.55 2wdl h HIS 49 CO -0.00 1.20 0.63 0.00 0.86 0.00 0.00 177.93 180.61 2wdl h ARG 50 N -0.38 0.51 -0.09 2.45 3.08 -0.69 0.79 114.38 120.05 2wdl h ARG 50 Ca -0.10 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 2wdl h ARG 50 Cb 1.42 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.36 2wdl h ARG 50 CO 0.12 0.34 0.05 0.87 -1.07 0.00 0.00 179.97 180.28 2wdl h LYS 51 N 0.52 0.12 -0.73 0.04 1.79 -1.57 -3.03 116.57 113.72 2wdl h LYS 51 Ca 0.55 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 59.07 2wdl h LYS 51 Cb 1.19 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.75 2wdl h LYS 51 CO -0.28 0.12 0.42 0.00 -1.08 0.00 0.00 179.45 178.63 2wdl h ARG 52 N 0.09 0.75 -0.60 3.15 2.47 0.63 -2.93 114.38 117.94 2wdl h ARG 52 Ca 0.03 -0.05 0.12 0.00 -1.26 0.00 0.00 59.98 58.83 2wdl h ARG 52 Cb 0.03 -0.17 -0.09 0.00 -1.65 0.00 0.00 29.97 28.09 2wdl h ARG 52 CO -0.01 0.50 0.08 -0.09 0.56 0.00 0.00 179.97 181.01 2wdl h ARG 53 N 0.77 0.19 -0.81 0.04 2.43 -0.39 1.09 114.38 117.71 2wdl h ARG 53 Ca 0.33 -0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.67 2wdl h ARG 53 Cb 0.20 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 2wdl h ARG 53 CO -0.19 0.13 0.54 0.87 -1.51 0.00 0.00 179.97 179.82 2wdl h LYS 54 N 0.20 0.35 -0.01 0.20 1.79 -1.54 -1.57 116.57 115.99 2wdl h LYS 54 Ca 0.32 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 2wdl h LYS 54 Cb 0.49 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2wdl h LYS 54 CO -0.45 0.23 -0.11 2.89 -1.08 0.00 0.00 179.45 180.94 2wdl n ARG 55 N -4.47 1.28 0.15 3.15 1.85 0.07 -3.45 116.66 115.24 2wdl n ARG 55 Ca 0.16 -0.94 0.07 0.00 -1.00 0.00 0.00 57.85 56.14 2wdl n ARG 55 Cb 0.63 -1.18 0.06 0.00 -1.05 0.00 0.00 32.46 30.92 2wdl n ARG 55 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2wdl h ASP 56 N 1.82 0.00 0.27 2.89 3.32 0.21 -3.23 116.42 121.70 2wdl h ASP 56 Ca 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 2wdl h ASP 56 Cb 0.44 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.94 2wdl h ASP 56 CO 0.00 0.26 -1.98 0.49 -1.72 0.00 0.00 179.24 176.29 2wdl n PHE 57 N -3.07 0.77 -0.33 4.55 0.99 -0.89 -3.33 117.46 116.15 2wdl n PHE 57 Ca 0.01 0.24 0.22 0.00 -0.00 0.00 0.00 57.45 57.92 2wdl n PHE 57 Cb 0.65 -1.13 0.44 0.00 -1.00 0.00 0.00 39.48 38.44 2wdl n PHE 57 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wdl h ARG 58 N 0.02 0.32 -0.04 -1.08 3.08 -1.58 0.72 114.38 115.81 2wdl h ARG 58 Ca -0.40 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.59 2wdl h ARG 58 Cb 2.06 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 32.04 2wdl h ARG 58 CO 0.06 0.21 -0.14 0.00 -1.07 0.00 0.00 179.97 179.03 2wdl h ARG 59 N 0.33 0.16 -0.89 0.04 3.08 -1.65 -2.92 114.38 112.53 2wdl h ARG 59 Ca 0.71 -0.12 0.16 0.00 0.07 0.00 0.00 59.98 60.79 2wdl h ARG 59 Cb 1.57 0.02 -0.10 0.00 0.08 0.00 0.00 29.97 31.54 2wdl h ARG 59 CO -0.60 0.75 0.48 1.25 -1.07 0.00 0.00 179.97 180.78 2wdl h LEU 60 N -0.40 0.59 0.65 3.04 7.12 -0.88 -1.32 115.31 124.11 2wdl h LEU 60 Ca -0.01 0.09 -0.03 0.00 0.13 0.00 0.00 57.88 58.07 2wdl h LEU 60 Cb 0.77 -0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.90 2wdl h LEU 60 CO 0.03 0.23 -0.31 -0.50 -0.13 0.00 0.00 178.44 177.76 2wdl h TRP 61 N 0.66 -0.81 -0.93 1.25 6.55 -1.46 -0.72 115.95 120.49 2wdl h TRP 61 Ca 0.49 -0.02 0.13 0.00 0.95 0.00 0.00 58.89 60.44 2wdl h TRP 61 Cb 0.71 0.27 -0.14 0.00 -0.86 0.00 0.00 29.16 29.14 2wdl h TRP 61 CO -0.07 -0.46 -0.43 0.82 -1.05 0.00 0.00 178.44 177.24 2wdl h ILE 62 N -1.13 0.02 -0.49 1.49 1.08 -1.23 0.81 117.51 118.06 2wdl h ILE 62 Ca -0.09 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.39 2wdl h ILE 62 Cb 0.70 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 2wdl h ILE 62 CO 0.15 0.00 0.31 0.58 -0.69 0.00 0.00 178.15 178.50 2wdl h VAL 63 N -0.03 1.10 -0.65 1.67 2.07 -1.20 0.47 116.25 119.68 2wdl h VAL 63 Ca 0.29 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.62 2wdl h VAL 63 Cb 0.55 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2wdl h VAL 63 CO -0.93 0.12 0.40 -0.09 0.02 0.00 0.00 177.57 177.08 2wdl h ARG 64 N 0.64 0.76 0.33 1.57 9.65 0.13 0.29 114.38 127.74 2wdl h ARG 64 Ca 0.18 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 59.00 2wdl h ARG 64 Cb -0.05 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.36 2wdl h ARG 64 CO -0.05 0.50 -0.16 0.82 2.80 0.00 0.00 179.97 183.88 2wdl h ILE 65 N 0.78 0.00 -0.05 1.20 2.04 0.10 0.26 117.51 121.84 2wdl h ILE 65 Ca 0.26 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 66.05 2wdl h ILE 65 Cb 0.03 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.11 2wdl h ILE 65 CO -0.11 0.00 0.62 -1.13 0.00 0.00 0.00 178.15 177.53 2wdl h ASN 66 N -0.52 0.00 0.00 1.72 -1.24 0.00 0.49 115.58 116.03 2wdl h ASN 66 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.97 2wdl h ASN 66 Cb 0.34 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.39 2wdl h ASN 66 CO 0.07 0.00 -0.04 0.00 -1.29 0.00 0.00 177.43 176.17 2wdl h ALA 67 N 0.81 0.00 -0.68 1.57 0.00 -0.13 -3.14 119.26 117.70 2wdl h ALA 67 Ca 0.03 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.97 2wdl h ALA 67 Cb 1.26 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 2wdl h ALA 67 CO -0.00 0.04 0.29 0.00 0.00 0.00 0.00 179.25 179.58 2wdl h ALA 68 N -1.63 0.92 0.00 0.00 0.00 0.13 -2.04 119.26 116.64 2wdl h ALA 68 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wdl h ALA 68 Cb 0.04 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2wdl h ALA 68 CO 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.10 2wdl n ARG 70 N -2.68 0.28 0.06 0.00 0.63 -0.78 -2.00 116.66 112.17 2wdl n ARG 70 Ca 0.04 0.04 0.13 0.00 -0.92 0.00 0.00 57.85 57.14 2wdl n ARG 70 Cb 0.43 -1.50 0.47 0.00 0.45 0.00 0.00 32.46 32.31 2wdl n ARG 70 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2wdl n GLN 71 N -1.34 0.15 -0.95 -0.14 7.27 -0.86 -3.08 117.38 118.43 2wdl n GLN 71 Ca 0.11 0.11 -0.08 0.00 0.07 0.00 0.00 57.00 57.21 2wdl n GLN 71 Cb 0.24 -1.66 0.18 0.00 2.41 0.00 0.00 30.24 31.40 2wdl n GLN 71 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2wdl n HIS 72 N -1.92 1.40 0.00 3.69 8.25 -0.85 -4.96 115.22 120.84 2wdl n HIS 72 Ca 0.06 -1.74 0.00 0.00 -0.26 0.00 0.00 57.72 55.78 2wdl n HIS 72 Cb 0.39 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 30.95 2wdl n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdl n GLY 73 N -1.09 1.53 3.89 -1.41 0.00 -1.18 -4.98 105.19 101.95 2wdl n GLY 73 Ca 0.37 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2wdl n GLY 73 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wdl s LEU 74 N 0.00 3.63 0.37 0.99 0.05 -1.24 -4.94 118.68 117.54 2wdl s LEU 74 Ca 0.00 1.12 0.05 0.00 0.05 0.00 0.00 54.13 55.35 2wdl s LEU 74 Cb 0.00 -4.06 -0.01 0.00 -2.05 0.00 0.00 46.19 40.07 2wdl s LEU 74 CO 0.00 -0.57 0.53 0.54 -0.55 0.00 0.00 176.35 176.30 2wdl s ASN 75 N -3.74 5.90 0.12 1.48 2.20 -1.26 -2.77 114.94 116.87 2wdl s ASN 75 Ca 0.51 -0.08 -0.30 0.00 -0.94 0.00 0.00 52.86 52.04 2wdl s ASN 75 Cb -0.10 -1.26 -0.08 0.00 -2.00 0.00 0.00 41.25 37.81 2wdl s ASN 75 CO 0.41 -0.54 1.58 0.22 -2.94 0.00 0.00 177.10 175.84 2wdl h TYR 76 N 0.74 -1.21 0.00 1.54 3.20 -1.91 -0.58 116.97 118.75 2wdl h TYR 76 Ca -0.45 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.46 2wdl h TYR 76 Cb 1.26 0.54 0.00 0.00 1.54 0.00 0.00 36.73 40.06 2wdl h TYR 76 CO 0.43 -0.50 0.00 0.43 -1.64 0.00 0.00 178.16 176.88 2wdl n SER 77 N -5.45 0.00 -0.09 -2.11 7.64 -1.26 -0.83 113.62 111.52 2wdl n SER 77 Ca -0.06 0.56 -0.06 0.00 1.01 0.00 0.00 58.87 60.32 2wdl n SER 77 Cb 0.37 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2wdl n SER 77 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2wdl h THR 78 N 0.00 0.73 -0.70 0.44 1.35 -1.97 -2.80 112.91 109.96 2wdl h THR 78 Ca 0.00 -0.02 0.07 0.00 -0.55 0.00 0.00 66.41 65.91 2wdl h THR 78 Cb 0.00 0.67 -0.09 0.00 -1.73 0.00 0.00 68.15 67.00 2wdl h THR 78 CO 0.00 0.01 -0.49 0.15 -0.25 0.00 0.00 175.52 174.94 2wdl h PHE 79 N 0.05 -1.56 -0.14 4.73 -0.00 0.04 0.37 116.94 120.44 2wdl h PHE 79 Ca 0.15 0.10 0.05 0.00 -0.00 0.00 0.00 57.97 58.27 2wdl h PHE 79 Cb 0.22 0.77 -0.05 0.00 -0.00 0.00 0.00 35.95 36.89 2wdl h PHE 79 CO -0.26 -0.34 -0.21 0.82 -0.00 0.00 0.00 178.31 178.32 2wdl h ILE 80 N -0.10 0.48 -0.71 1.41 1.08 -0.85 -1.19 117.51 117.64 2wdl h ILE 80 Ca 0.11 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.74 2wdl h ILE 80 Cb 0.39 0.48 -0.12 0.00 -3.07 0.00 0.00 36.82 34.50 2wdl h ILE 80 CO -0.71 0.00 0.04 -0.74 -0.69 0.00 0.00 178.15 176.05 2wdl h HIS 81 N -0.25 0.01 -0.59 1.37 -0.00 -0.97 0.73 115.15 115.45 2wdl h HIS 81 Ca 0.10 0.05 0.09 0.00 -0.00 0.00 0.00 60.37 60.62 2wdl h HIS 81 Cb 0.41 0.11 -0.07 0.00 -0.00 0.00 0.00 27.41 27.85 2wdl h HIS 81 CO -0.32 -0.19 0.19 0.78 -0.00 0.00 0.00 177.93 178.39 2wdl h GLY 82 N 0.14 0.79 1.84 5.26 0.00 0.81 0.57 103.07 112.48 2wdl h GLY 82 Ca 0.39 -0.09 -0.11 0.00 0.00 0.00 0.00 47.33 47.52 2wdl h GLY 82 CO -0.60 -0.04 -0.45 1.41 0.00 0.00 0.00 176.54 176.87 2wdl h LEU 83 N 0.36 0.19 0.61 3.11 4.07 0.48 1.22 115.31 125.34 2wdl h LEU 83 Ca 0.30 -0.08 -0.03 0.00 0.08 0.00 0.00 57.88 58.14 2wdl h LEU 83 Cb 0.38 -0.05 0.01 0.00 1.08 0.00 0.00 40.66 42.08 2wdl h LEU 83 CO -0.32 0.61 -0.29 0.50 -1.08 0.00 0.00 178.44 177.86 2wdl h LYS 84 N 0.15 -0.79 -0.07 1.13 1.63 0.29 -0.51 116.57 118.40 2wdl h LYS 84 Ca 0.01 0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2wdl h LYS 84 Cb 0.85 0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 32.66 2wdl h LYS 84 CO 0.07 -0.52 0.04 -0.22 -3.45 0.00 0.00 179.45 175.36 2wdl h LYS 85 N -0.83 0.10 0.00 1.90 1.63 0.23 -1.14 116.57 118.45 2wdl h LYS 85 Ca -0.08 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 2wdl h LYS 85 Cb 0.63 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 2wdl h LYS 85 CO 0.14 0.14 0.17 0.00 -3.45 0.00 0.00 179.45 176.45 2wdl n ALA 86 N -2.15 0.74 -1.18 5.00 0.00 0.42 -4.75 120.51 118.59 2wdl n ALA 86 Ca -0.06 0.07 -0.06 0.00 0.00 0.00 0.00 53.44 53.39 2wdl n ALA 86 Cb 0.07 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 2wdl n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdl n GLY 87 N -1.32 0.80 3.09 0.00 0.00 -0.43 -4.93 105.19 102.40 2wdl n GLY 87 Ca -0.00 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 2wdl n GLY 87 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wdl n ILE 88 N -2.63 5.11 0.80 -0.61 -5.35 -0.30 -4.81 119.36 111.56 2wdl n ILE 88 Ca -0.06 -5.73 0.00 0.00 -0.27 0.00 0.00 62.75 56.69 2wdl n ILE 88 Cb 0.29 -2.22 0.00 0.00 -1.74 0.00 0.00 39.64 35.98 2wdl n ILE 88 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 2wdl n GLU 89 N 1.81 0.80 0.00 6.28 0.28 -1.26 -4.44 120.64 124.11 2wdl n GLU 89 Ca 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.26 2wdl n GLU 89 Cb 0.35 -1.11 0.00 0.00 1.43 0.00 0.00 31.44 32.11 2wdl n GLU 89 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2wdl n VAL 90 N 0.59 0.00 0.00 3.84 0.31 -1.26 -4.65 118.33 117.15 2wdl n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wdl n VAL 90 Cb 0.39 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 2wdl n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2wdl n ASP 91 N 0.00 0.00 -2.88 4.52 4.64 -1.26 -4.67 116.55 116.90 2wdl n ASP 91 Ca 0.00 0.00 -0.00 0.00 -1.38 0.00 0.00 54.79 53.41 2wdl n ASP 91 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 2wdl n ASP 91 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2wdl n ARG 92 N 0.00 -2.40 0.00 -0.67 3.00 -1.26 -2.83 116.66 112.50 2wdl n ARG 92 Ca 0.00 2.11 0.00 0.00 -0.01 0.00 0.00 57.85 59.95 2wdl n ARG 92 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 32.46 28.58 2wdl n ARG 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wdl n LYS 93 N 0.90 0.00 -0.15 5.56 4.01 -1.26 0.17 118.16 127.39 2wdl n LYS 93 Ca 0.00 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.76 2wdl n LYS 93 Cb 0.18 0.00 0.05 0.00 -0.51 0.00 0.00 35.03 34.74 2wdl n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 2wdl h ASN 94 N 0.00 0.23 0.25 4.39 -1.24 -1.95 -2.28 115.58 114.97 2wdl h ASN 94 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.05 2wdl h ASN 94 Cb 0.00 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.06 2wdl h ASN 94 CO 0.00 0.17 -0.07 0.18 -1.29 0.00 0.00 177.43 176.42 2wdl n LEU 95 N -4.97 0.50 -2.72 0.34 4.77 0.45 -3.70 117.00 111.67 2wdl n LEU 95 Ca 0.04 -0.05 -0.31 0.00 -0.03 0.00 0.00 56.01 55.66 2wdl n LEU 95 Cb 0.16 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 2wdl n LEU 95 CO 0.27 0.09 1.69 0.00 -1.33 0.00 0.00 177.39 178.11 2wdl n ALA 96 N -0.82 6.51 1.01 -1.18 0.00 -0.86 -3.19 120.51 121.98 2wdl n ALA 96 Ca 0.17 -3.38 0.11 0.00 0.00 0.00 0.00 53.44 50.34 2wdl n ALA 96 Cb 0.25 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 2wdl n ALA 96 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wdl n ASP 97 N 0.80 1.15 -0.33 0.00 5.75 -1.24 -4.06 116.55 118.62 2wdl n ASP 97 Ca 0.51 -1.01 0.31 0.00 -0.01 0.00 0.00 54.79 54.60 2wdl n ASP 97 Cb 0.46 0.77 0.67 0.00 -1.03 0.00 0.00 41.12 41.98 2wdl n ASP 97 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2wdl h LEU 98 N 0.55 0.16 -2.07 -2.12 3.38 -1.68 0.67 115.31 114.20 2wdl h LEU 98 Ca 0.00 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2wdl h LEU 98 Cb 0.55 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2wdl h LEU 98 CO 0.00 0.02 0.32 0.00 0.09 0.00 0.00 178.44 178.86 2wdl h ALA 99 N 1.49 1.38 0.00 1.53 0.00 -1.86 -2.62 119.26 119.18 2wdl h ALA 99 Ca 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 2wdl h ALA 99 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2wdl h ALA 99 CO -0.12 -0.33 -0.04 0.28 0.00 0.00 0.00 179.25 179.03 2wdl n VAL 100 N -2.98 0.07 -2.99 0.00 0.31 0.23 -4.60 118.33 108.36 2wdl n VAL 100 Ca -0.01 0.39 -0.40 0.00 -0.01 0.00 0.00 64.34 64.31 2wdl n VAL 100 Cb 0.37 -1.44 -0.05 0.00 -0.91 0.00 0.00 33.84 31.81 2wdl n VAL 100 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2wdl s ARG 101 N -1.09 4.49 -1.12 5.55 0.52 -1.04 -4.04 118.95 122.21 2wdl s ARG 101 Ca -0.01 1.05 -0.05 0.00 -0.52 0.00 0.00 55.73 56.20 2wdl s ARG 101 Cb 0.00 -3.37 0.01 0.00 0.52 0.00 0.00 34.95 32.11 2wdl s ARG 101 CO 0.02 0.28 0.97 0.39 0.02 0.00 0.00 175.30 176.97 2wdl n GLU 102 N 2.84 -6.49 0.08 3.54 -0.58 -1.25 -4.01 120.64 114.78 2wdl n GLU 102 Ca -0.03 0.72 0.05 0.00 -0.42 0.00 0.00 57.16 57.49 2wdl n GLU 102 Cb 0.50 -5.42 0.27 0.00 -0.57 0.00 0.00 31.44 26.22 2wdl n GLU 102 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2wdl n PRO 103 N -4.15 0.06 -0.01 3.49 -0.04 -0.99 -1.20 135.00 132.16 2wdl n PRO 103 Ca -0.08 0.54 -0.10 0.00 -0.04 0.00 0.00 63.50 63.82 2wdl n PRO 103 Cb 0.59 -1.75 -0.04 0.00 -0.04 0.00 0.00 33.50 32.25 2wdl n PRO 103 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2wdl h GLN 104 N 0.00 -0.03 0.00 0.54 7.50 -1.90 0.25 115.11 121.48 2wdl h GLN 104 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2wdl h GLN 104 Cb 0.09 0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.63 2wdl h GLN 104 CO 0.00 -0.02 0.00 0.28 -1.50 0.00 0.00 178.83 177.59 2wdl n VAL 105 N -5.18 0.00 -0.29 -0.54 0.31 -0.34 -2.76 118.33 109.53 2wdl n VAL 105 Ca -0.04 1.48 -0.00 0.00 -0.01 0.00 0.00 64.34 65.76 2wdl n VAL 105 Cb 0.11 -2.35 0.04 0.00 -0.91 0.00 0.00 33.84 30.72 2wdl n VAL 105 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2wdl n PHE 106 N -2.16 0.05 -0.37 3.52 7.35 -1.12 0.27 117.46 124.99 2wdl n PHE 106 Ca 0.00 0.94 -0.04 0.00 -0.76 0.00 0.00 57.45 57.59 2wdl n PHE 106 Cb 0.00 -0.80 0.00 0.00 0.35 0.00 0.00 39.48 39.03 2wdl n PHE 106 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wdl h ALA 107 N 1.10 -0.04 0.00 3.13 0.00 -0.31 0.72 119.26 123.86 2wdl h ALA 107 Ca 0.28 0.23 -0.06 0.00 0.00 0.00 0.00 54.91 55.35 2wdl h ALA 107 Cb 0.47 1.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2wdl h ALA 107 CO -0.76 -0.72 -0.29 0.93 0.00 0.00 0.00 179.25 178.41 2wdl h GLU 108 N -0.02 0.00 -0.00 0.00 5.08 -0.05 -1.85 114.58 117.73 2wdl h GLU 108 Ca 0.29 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.57 2wdl h GLU 108 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2wdl h GLU 108 CO -0.95 0.29 -0.37 -0.07 -1.00 0.00 0.00 179.01 176.92 2wdl h LEU 109 N 0.00 0.00 0.12 1.33 3.38 0.13 0.21 115.31 120.48 2wdl h LEU 109 Ca -0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2wdl h LEU 109 Cb 0.68 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2wdl h LEU 109 CO 0.04 0.37 -0.06 0.58 0.09 0.00 0.00 178.44 179.46 2wdl h VAL 110 N 0.00 1.06 -0.43 1.22 2.07 -0.05 -1.51 116.25 118.61 2wdl h VAL 110 Ca -0.00 -0.89 0.09 0.00 0.82 0.00 0.00 66.70 66.71 2wdl h VAL 110 Cb 0.66 1.61 -0.08 0.00 -1.52 0.00 0.00 31.29 31.95 2wdl h VAL 110 CO 0.05 0.21 -0.11 -0.33 0.02 0.00 0.00 177.57 177.40 2wdl h GLU 111 N -0.59 -0.01 -0.96 1.57 4.39 -1.08 0.57 114.58 118.47 2wdl h GLU 111 Ca -0.02 0.00 0.22 0.00 0.34 0.00 0.00 59.36 59.90 2wdl h GLU 111 Cb 0.47 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.04 2wdl h GLU 111 CO 0.03 -0.01 0.62 0.00 -1.16 0.00 0.00 179.01 178.49 2wdl h ARG 112 N -0.01 0.43 0.49 2.33 2.47 -0.46 0.27 114.38 119.91 2wdl h ARG 112 Ca 0.21 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.88 2wdl h ARG 112 Cb 0.32 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 2wdl h ARG 112 CO -0.45 0.29 -0.23 0.00 0.56 0.00 0.00 179.97 180.13 2wdl h ALA 113 N 1.61 -0.66 0.00 0.04 0.00 0.12 -2.94 119.26 117.43 2wdl h ALA 113 Ca 0.52 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2wdl h ALA 113 Cb 1.23 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2wdl h ALA 113 CO -0.23 -0.65 0.00 0.36 0.00 0.00 0.00 179.25 178.73 2wdl n LYS 114 N -5.23 0.04 0.03 0.00 0.00 -0.55 -2.31 118.16 110.14 2wdl n LYS 114 Ca -0.09 0.28 -0.11 0.00 -0.00 0.00 0.00 58.31 58.38 2wdl n LYS 114 Cb 0.29 -1.57 -0.06 0.00 -0.00 0.00 0.00 35.03 33.69 2wdl n LYS 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wdl h ALA 115 N 2.47 -0.00 0.00 0.58 0.00 -0.29 0.71 119.26 122.73 2wdl h ALA 115 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wdl h ALA 115 Cb 0.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2wdl h ALA 115 CO 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 179.25 178.74 2wdl n ALA 116 N -2.18 2.16 -3.56 0.00 0.00 -0.98 -4.29 120.51 111.66 2wdl n ALA 116 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.09 2wdl n ALA 116 Cb 0.06 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.37 2wdl n ALA 116 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2wdl s GLN 117 N -0.54 0.44 0.00 0.00 -1.52 0.24 -4.92 119.66 113.37 2wdl s GLN 117 Ca 0.00 -0.93 0.31 0.00 -1.95 0.00 0.00 55.36 52.79 2wdl s GLN 117 Cb 0.00 -1.41 1.76 0.00 -0.22 0.00 0.00 33.01 33.14 2wdl s GLN 117 CO 0.00 -1.08 2.15 0.41 -0.25 0.00 0.00 175.29 176.52