#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi s ARG 3 N 0.00 3.50 -1.13 0.54 3.52 -1.26 -5.03 118.95 119.10 2wdi s ARG 3 Ca 0.00 -0.58 -0.07 0.00 -0.13 0.00 0.00 55.73 54.94 2wdi s ARG 3 Cb 0.00 -3.36 0.27 0.00 -1.56 0.00 0.00 34.95 30.30 2wdi s ARG 3 CO 0.00 -0.27 1.39 0.00 -0.81 0.00 0.00 175.30 175.61 2wdi n ALA 4 N 4.92 4.74 -0.76 6.12 0.00 -1.26 -5.04 120.51 129.23 2wdi n ALA 4 Ca -0.16 -4.65 -0.32 0.00 0.00 0.00 0.00 53.44 48.31 2wdi n ALA 4 Cb 0.50 -2.53 0.13 0.00 0.00 0.00 0.00 19.45 17.56 2wdi n ALA 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wdi n LYS 5 N 2.50 -0.43 0.00 0.00 2.85 -1.26 -4.86 118.16 116.95 2wdi n LYS 5 Ca 0.28 -0.08 -0.10 0.00 -1.05 0.00 0.00 58.31 57.35 2wdi n LYS 5 Cb 0.36 -1.95 -0.04 0.00 -0.65 0.00 0.00 35.03 32.75 2wdi n LYS 5 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2wdi h THR 6 N -1.67 0.30 0.00 0.58 2.02 -2.05 -3.45 112.91 108.65 2wdi h THR 6 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2wdi h THR 6 Cb 1.28 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 2wdi h THR 6 CO 0.36 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.86 2wdi n GLY 7 N -1.40 1.96 0.00 2.16 0.00 -1.26 -3.45 105.19 103.20 2wdi n GLY 7 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2wdi n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdi n VAL 8 N 0.00 0.00 -0.21 1.61 0.31 -1.26 -4.92 118.33 113.86 2wdi n VAL 8 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.51 2wdi n VAL 8 Cb 0.00 0.00 0.33 0.00 -0.91 0.00 0.00 33.84 33.26 2wdi n VAL 8 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2wdi n VAL 9 N -0.66 -0.27 0.02 2.52 0.31 -1.22 -0.92 118.33 118.11 2wdi n VAL 9 Ca 0.00 1.33 -0.20 0.00 -0.01 0.00 0.00 64.34 65.46 2wdi n VAL 9 Cb 0.00 -2.10 -0.14 0.00 -0.91 0.00 0.00 33.84 30.69 2wdi n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wdi h ARG 10 N 0.00 0.25 -0.13 5.55 2.43 -1.91 -2.72 114.38 117.84 2wdi h ARG 10 Ca 0.51 -0.43 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2wdi h ARG 10 Cb 1.28 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.98 2wdi h ARG 10 CO -0.52 1.20 0.09 -0.09 -1.51 0.00 0.00 179.97 179.14 2wdi h ARG 11 N -0.40 0.09 0.36 0.20 2.43 -1.39 -1.53 114.38 114.13 2wdi h ARG 11 Ca -0.21 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 2wdi h ARG 11 Cb 1.64 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.18 2wdi h ARG 11 CO 0.09 0.06 -0.17 0.00 -1.51 0.00 0.00 179.97 178.43 2wdi h ARG 12 N 0.09 -0.47 -0.40 0.20 3.08 -1.42 -1.61 114.38 113.85 2wdi h ARG 12 Ca 0.06 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.26 2wdi h ARG 12 Cb 0.12 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2wdi h ARG 12 CO -0.01 -0.26 0.65 0.87 -1.07 0.00 0.00 179.97 180.16 2wdi h LYS 13 N -1.10 0.00 0.00 0.04 1.57 -1.29 -2.62 116.57 113.17 2wdi h LYS 13 Ca -0.05 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2wdi h LYS 13 Cb 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 2wdi h LYS 13 CO 0.08 0.00 -0.25 0.45 -0.57 0.00 0.00 179.45 179.16 2wdi h HIS 14 N 0.00 0.00 0.00 -1.35 3.86 -1.07 -3.32 115.15 113.27 2wdi h HIS 14 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2wdi h HIS 14 Cb 1.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.96 2wdi h HIS 14 CO 0.00 0.35 0.00 0.36 0.86 0.00 0.00 177.93 179.50 2wdi n LYS 15 N -4.67 0.31 -0.03 2.45 0.00 -0.62 -1.49 118.16 114.10 2wdi n LYS 15 Ca -0.07 0.06 -0.15 0.00 -0.00 0.00 0.00 58.31 58.15 2wdi n LYS 15 Cb 0.23 -1.50 -0.10 0.00 -0.00 0.00 0.00 35.03 33.66 2wdi n LYS 15 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2wdi h LYS 16 N 0.00 0.23 -0.10 -1.58 3.64 -1.58 -1.70 116.57 115.48 2wdi h LYS 16 Ca 0.00 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.11 2wdi h LYS 16 Cb 0.03 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2wdi h LYS 16 CO 0.00 0.84 -0.24 0.82 -2.27 0.00 0.00 179.45 178.61 2wdi h ILE 17 N -0.32 1.39 -0.96 2.00 1.08 -1.36 -1.91 117.51 117.43 2wdi h ILE 17 Ca -0.02 -1.54 0.19 0.00 -0.39 0.00 0.00 64.86 63.10 2wdi h ILE 17 Cb 0.88 2.13 -0.11 0.00 -3.07 0.00 0.00 36.82 36.66 2wdi h ILE 17 CO 0.05 0.45 0.56 -0.07 -0.69 0.00 0.00 178.15 178.44 2wdi h LEU 18 N -0.10 0.69 -0.06 1.44 3.38 -1.42 0.29 115.31 119.53 2wdi h LEU 18 Ca -0.00 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2wdi h LEU 18 Cb 0.84 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2wdi h LEU 18 CO 0.05 0.23 -0.04 0.11 0.09 0.00 0.00 178.44 178.87 2wdi h LYS 19 N 0.69 0.13 0.00 1.13 1.57 -1.26 -3.03 116.57 115.80 2wdi h LYS 19 Ca 0.56 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2wdi h LYS 19 Cb 0.90 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2wdi h LYS 19 CO -0.40 0.55 0.01 1.25 -0.57 0.00 0.00 179.45 180.29 2wdi h LEU 20 N -0.29 0.00 -4.11 2.94 7.12 -0.00 -2.76 115.31 118.21 2wdi h LEU 20 Ca 0.01 0.00 -0.42 0.00 0.13 0.00 0.00 57.88 57.60 2wdi h LEU 20 Cb 0.52 0.00 -0.39 0.00 -0.53 0.00 0.00 40.66 40.26 2wdi h LEU 20 CO 0.01 0.00 -0.88 0.00 -0.13 0.00 0.00 178.44 177.44 2wdi n ALA 21 N -1.79 4.24 -2.22 1.25 0.00 0.77 -5.05 120.51 117.70 2wdi n ALA 21 Ca -0.01 -3.45 -0.29 0.00 0.00 0.00 0.00 53.44 49.68 2wdi n ALA 21 Cb 0.04 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 2wdi n ALA 21 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wdi s LYS 22 N -3.54 3.65 0.00 0.00 -0.14 -1.04 -3.99 119.74 114.68 2wdi s LYS 22 Ca 0.44 0.34 0.00 0.00 -1.36 0.00 0.00 55.97 55.38 2wdi s LYS 22 Cb 0.38 -2.38 0.00 0.00 -1.68 0.00 0.00 37.83 34.15 2wdi s LYS 22 CO 0.01 -0.13 0.00 0.41 -0.76 0.00 0.00 175.35 174.88 2wdi n GLY 23 N -1.80 2.85 3.43 -3.33 0.00 -1.26 -5.05 105.19 100.03 2wdi n GLY 23 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2wdi n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wdi s TYR 24 N -2.49 -0.28 0.00 1.61 4.12 -1.26 -5.06 117.35 114.00 2wdi s TYR 24 Ca 0.00 0.48 0.00 0.00 0.02 0.00 0.00 57.07 57.57 2wdi s TYR 24 Cb 0.00 -3.18 0.00 0.00 -1.52 0.00 0.00 41.96 37.26 2wdi s TYR 24 CO 0.00 -4.56 0.00 1.87 0.02 0.00 0.00 175.55 172.88 2wdi n TRP 25 N -5.28 0.00 0.00 2.71 -0.00 -1.26 -4.63 117.44 108.98 2wdi n TRP 25 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.64 2wdi n TRP 25 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.91 2wdi n TRP 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2wdi n GLY 26 N 0.00 0.29 0.15 5.87 0.00 -1.26 -4.64 105.19 105.60 2wdi n GLY 26 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2wdi n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdi n LEU 27 N 0.00 0.48 0.28 0.99 4.77 -1.26 -2.65 117.00 119.60 2wdi n LEU 27 Ca 0.00 -0.14 0.18 0.00 -0.03 0.00 0.00 56.01 56.02 2wdi n LEU 27 Cb 0.00 -0.02 0.86 0.00 -2.33 0.00 0.00 43.42 41.93 2wdi n LEU 27 CO 0.00 0.08 1.04 0.03 -1.33 0.00 0.00 177.39 177.21 2wdi h ARG 28 N 0.74 0.00 0.00 3.23 3.08 -1.86 -1.26 114.38 118.31 2wdi h ARG 28 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wdi h ARG 28 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2wdi h ARG 28 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 2wdi n SER 29 N -2.94 1.10 -0.01 7.04 3.41 -1.09 -3.16 113.62 117.98 2wdi n SER 29 Ca -0.01 -1.17 -0.00 0.00 -0.26 0.00 0.00 58.87 57.42 2wdi n SER 29 Cb 0.19 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.13 2wdi n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wdi n LYS 30 N -0.09 2.76 -2.92 4.33 4.76 -1.09 -4.84 118.16 121.08 2wdi n LYS 30 Ca 0.00 -0.01 -0.42 0.00 -2.87 0.00 0.00 58.31 55.01 2wdi n LYS 30 Cb 0.06 -1.05 -0.05 0.00 -1.84 0.00 0.00 35.03 32.16 2wdi n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wdi s SER 31 N -2.96 6.60 0.00 4.39 0.15 -0.50 -4.92 113.70 116.47 2wdi s SER 31 Ca -0.01 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.12 2wdi s SER 31 Cb 0.01 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2wdi s SER 31 CO 0.07 -0.73 0.00 2.22 1.20 0.00 0.00 173.24 176.00 2wdi n PHE 32 N 6.44 0.00 0.00 3.44 -1.74 -1.26 -1.07 117.46 123.27 2wdi n PHE 32 Ca 0.04 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.93 2wdi n PHE 32 Cb 0.48 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.48 2wdi n PHE 32 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 2wdi n ARG 33 N -0.31 1.56 -0.10 3.97 1.85 -1.26 -4.62 116.66 117.74 2wdi n ARG 33 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 2wdi n ARG 33 Cb 0.00 -0.24 -0.04 0.00 -1.05 0.00 0.00 32.46 31.14 2wdi n ARG 33 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2wdi h LYS 34 N 0.00 0.66 0.62 2.89 1.79 -1.30 -1.78 116.57 119.46 2wdi h LYS 34 Ca 0.00 -0.30 -0.02 0.00 -2.18 0.00 0.00 60.65 58.15 2wdi h LYS 34 Cb 0.00 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2wdi h LYS 34 CO 0.00 0.89 -0.43 0.00 -1.08 0.00 0.00 179.45 178.83 2wdi h ALA 35 N 0.75 -1.05 -0.99 3.86 0.00 -1.18 -1.93 119.26 118.73 2wdi h ALA 35 Ca 0.07 -0.20 0.35 0.00 0.00 0.00 0.00 54.91 55.12 2wdi h ALA 35 Cb 0.70 0.55 -0.17 0.00 0.00 0.00 0.00 17.79 18.87 2wdi h ALA 35 CO 0.05 -1.11 0.41 -0.09 0.00 0.00 0.00 179.25 178.50 2wdi h ARG 36 N -1.01 0.09 -0.51 0.00 2.43 -1.72 0.68 114.38 114.34 2wdi h ARG 36 Ca -0.08 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 2wdi h ARG 36 Cb 0.83 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 2wdi h ARG 36 CO 0.05 0.06 -0.04 0.93 -1.51 0.00 0.00 179.97 179.46 2wdi h GLU 37 N 0.09 0.89 -0.06 0.20 5.08 -0.57 -2.81 114.58 117.41 2wdi h GLU 37 Ca 0.74 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 58.69 2wdi h GLU 37 Cb 1.79 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.94 2wdi h GLU 37 CO -0.76 0.91 -0.60 1.15 -1.00 0.00 0.00 179.01 178.71 2wdi h THR 38 N 0.82 1.40 -0.11 1.13 2.02 0.88 -3.17 112.91 115.86 2wdi h THR 38 Ca 0.15 -1.99 -0.06 0.00 0.77 0.00 0.00 66.41 65.28 2wdi h THR 38 Cb 0.54 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 2wdi h THR 38 CO 0.03 0.58 -0.20 -0.07 0.37 0.00 0.00 175.52 176.24 2wdi h LEU 39 N 0.14 0.18 -0.84 2.58 3.38 -0.92 0.40 115.31 120.23 2wdi h LEU 39 Ca -0.01 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2wdi h LEU 39 Cb 1.09 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2wdi h LEU 39 CO 0.09 0.39 -0.30 -0.26 0.09 0.00 0.00 178.44 178.45 2wdi h PHE 40 N 0.18 0.58 0.57 1.13 0.05 -1.50 -0.69 116.94 117.26 2wdi h PHE 40 Ca 0.03 -0.14 -0.03 0.00 3.82 0.00 0.00 57.97 61.66 2wdi h PHE 40 Cb 0.46 -0.14 0.01 0.00 2.00 0.00 0.00 35.95 38.28 2wdi h PHE 40 CO 0.01 0.76 -0.28 0.00 -0.18 0.00 0.00 178.31 178.62 2wdi h ALA 41 N 1.24 -0.77 0.74 2.45 0.00 -1.24 -2.61 119.26 119.07 2wdi h ALA 41 Ca 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2wdi h ALA 41 Cb 0.75 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2wdi h ALA 41 CO 0.06 -0.84 -0.43 0.00 0.00 0.00 0.00 179.25 178.03 2wdi h ALA 42 N -0.64 -1.25 -1.05 0.00 0.00 -0.91 -2.14 119.26 113.27 2wdi h ALA 42 Ca -0.08 -0.23 0.32 0.00 0.00 0.00 0.00 54.91 54.92 2wdi h ALA 42 Cb 0.65 0.54 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 2wdi h ALA 42 CO 0.13 -1.20 0.62 0.78 0.00 0.00 0.00 179.25 179.58 2wdi h GLY 43 N -1.09 1.87 1.57 0.00 0.00 -1.22 0.68 103.07 104.87 2wdi h GLY 43 Ca -0.10 -0.23 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 2wdi h GLY 43 CO 0.11 -0.42 -0.48 -0.57 0.00 0.00 0.00 176.54 175.18 2wdi h ASN 44 N 0.32 0.50 0.00 0.19 -0.73 -1.23 -3.02 115.58 111.62 2wdi h ASN 44 Ca 0.72 -0.25 0.00 0.00 1.87 0.00 0.00 56.30 58.65 2wdi h ASN 44 Cb 1.73 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 40.18 2wdi h ASN 44 CO -0.54 0.91 0.00 -1.22 -0.37 0.00 0.00 177.43 176.21 2wdi n TYR 45 N -3.98 0.00 -0.30 0.67 0.53 0.22 -2.30 117.16 112.00 2wdi n TYR 45 Ca -0.02 0.00 0.28 0.00 -1.02 0.00 0.00 57.90 57.13 2wdi n TYR 45 Cb 0.55 -0.35 0.49 0.00 -1.03 0.00 0.00 39.34 39.00 2wdi n TYR 45 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2wdi n ALA 46 N -1.56 0.92 -0.06 -0.72 0.00 -0.53 0.12 120.51 118.68 2wdi n ALA 46 Ca 0.00 0.74 -0.13 0.00 0.00 0.00 0.00 53.44 54.05 2wdi n ALA 46 Cb 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 2wdi n ALA 46 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2wdi h TYR 47 N 0.00 0.46 0.00 0.00 3.20 -1.53 0.10 116.97 119.20 2wdi h TYR 47 Ca 0.67 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 62.41 2wdi h TYR 47 Cb 1.95 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 40.12 2wdi h TYR 47 CO -0.01 0.73 0.00 0.00 -1.64 0.00 0.00 178.16 177.25 2wdi h ALA 48 N 0.65 1.00 0.00 1.82 0.00 0.13 -3.01 119.26 119.86 2wdi h ALA 48 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2wdi h ALA 48 Cb 0.64 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2wdi h ALA 48 CO 0.03 0.00 -0.62 0.45 0.00 0.00 0.00 179.25 179.12 2wdi h HIS 49 N 0.00 0.00 -0.13 0.00 3.86 0.12 -3.05 115.15 115.95 2wdi h HIS 49 Ca 0.00 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.98 2wdi h HIS 49 Cb 0.73 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.21 2wdi h HIS 49 CO 0.00 0.07 -0.81 0.00 0.86 0.00 0.00 177.93 178.06 2wdi h ARG 50 N 0.00 0.78 0.00 2.45 3.08 -0.66 0.19 114.38 120.22 2wdi h ARG 50 Ca -0.01 -0.66 0.00 0.00 0.07 0.00 0.00 59.98 59.37 2wdi h ARG 50 Cb 1.07 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2wdi h ARG 50 CO 0.01 1.27 0.00 0.87 -1.07 0.00 0.00 179.97 181.04 2wdi h LYS 51 N 0.51 0.00 0.00 0.04 1.79 -1.61 -3.10 116.57 114.20 2wdi h LYS 51 Ca -0.06 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.29 2wdi h LYS 51 Cb 1.44 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.08 2wdi h LYS 51 CO 0.17 0.00 -0.75 0.00 -1.08 0.00 0.00 179.45 177.79 2wdi h ARG 52 N 0.00 0.00 -1.66 3.15 2.47 -1.23 -3.36 114.38 113.75 2wdi h ARG 52 Ca 0.00 0.00 0.48 0.00 -1.26 0.00 0.00 59.98 59.20 2wdi h ARG 52 Cb 0.28 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.52 2wdi h ARG 52 CO 0.00 0.66 1.18 -0.09 0.56 0.00 0.00 179.97 182.28 2wdi h ARG 53 N -1.00 0.01 0.00 0.04 2.43 -0.57 -0.50 114.38 114.79 2wdi h ARG 53 Ca -0.17 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2wdi h ARG 53 Cb 0.94 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 2wdi h ARG 53 CO -0.10 0.01 0.00 1.63 -1.51 0.00 0.00 179.97 179.99 2wdi n LYS 54 N -4.09 0.00 0.29 0.20 4.76 -1.23 -2.98 118.16 115.10 2wdi n LYS 54 Ca 0.38 0.27 0.19 0.00 -2.87 0.00 0.00 58.31 56.28 2wdi n LYS 54 Cb 1.71 -1.14 1.03 0.00 -1.84 0.00 0.00 35.03 34.79 2wdi n LYS 54 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 2wdi h ARG 55 N 0.00 0.00 0.00 1.97 0.11 -1.34 -0.78 114.38 114.33 2wdi h ARG 55 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2wdi h ARG 55 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2wdi h ARG 55 CO 0.00 0.00 0.00 -0.44 0.10 0.00 0.00 179.97 179.63 2wdi h ASP 56 N 0.00 0.00 0.00 0.08 3.32 -1.09 -2.85 116.42 115.88 2wdi h ASP 56 Ca 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 2wdi h ASP 56 Cb 0.06 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.55 2wdi h ASP 56 CO 0.00 0.00 -2.26 0.49 -1.72 0.00 0.00 179.24 175.75 2wdi n PHE 57 N -2.84 0.00 0.18 4.55 0.99 -0.39 -3.23 117.46 116.72 2wdi n PHE 57 Ca 0.01 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.52 2wdi n PHE 57 Cb 0.31 -0.85 0.32 0.00 -1.00 0.00 0.00 39.48 38.26 2wdi n PHE 57 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wdi h ARG 58 N 0.00 0.00 0.00 -1.08 3.08 -1.21 -0.83 114.38 114.35 2wdi h ARG 58 Ca -0.49 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.18 2wdi h ARG 58 Cb 1.77 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.76 2wdi h ARG 58 CO -0.08 0.00 -2.27 0.54 -1.07 0.00 0.00 179.97 177.09 2wdi n ARG 59 N -2.07 0.49 -0.27 0.04 1.74 -1.08 -3.79 116.66 111.71 2wdi n ARG 59 Ca -0.01 0.20 0.24 0.00 -0.77 0.00 0.00 57.85 57.51 2wdi n ARG 59 Cb 0.42 -1.33 0.57 0.00 -1.02 0.00 0.00 32.46 31.10 2wdi n ARG 59 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2wdi h LEU 60 N -0.68 0.31 0.00 0.55 7.12 -1.16 -1.59 115.31 119.86 2wdi h LEU 60 Ca -0.56 0.05 0.00 0.00 0.13 0.00 0.00 57.88 57.49 2wdi h LEU 60 Cb 1.55 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.67 2wdi h LEU 60 CO -0.30 0.09 0.00 0.79 -0.13 0.00 0.00 178.44 178.88 2wdi n TRP 61 N -4.47 0.00 -0.39 1.25 8.01 -0.70 -2.94 117.44 118.19 2wdi n TRP 61 Ca 0.22 0.00 0.30 0.00 -1.31 0.00 0.00 57.50 56.71 2wdi n TRP 61 Cb 0.88 -0.23 0.46 0.00 -2.01 0.00 0.00 31.31 30.41 2wdi n TRP 61 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.69 175.79 2wdi n ILE 62 N -1.18 -0.02 0.02 -0.99 2.08 -0.88 -0.51 119.36 117.88 2wdi n ILE 62 Ca 0.00 0.88 -0.01 0.00 0.56 0.00 0.00 62.75 64.18 2wdi n ILE 62 Cb 0.00 -1.46 -0.01 0.00 -0.75 0.00 0.00 39.64 37.42 2wdi n ILE 62 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 2wdi h VAL 63 N 0.00 0.00 -1.33 1.39 2.07 -1.35 -2.25 116.25 114.78 2wdi h VAL 63 Ca 0.54 -0.18 0.39 0.00 0.82 0.00 0.00 66.70 68.26 2wdi h VAL 63 Cb 2.09 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 2wdi h VAL 63 CO -0.04 0.00 1.16 0.03 0.02 0.00 0.00 177.57 178.74 2wdi h ARG 64 N -0.25 0.00 0.00 1.57 3.08 -0.68 0.37 114.38 118.47 2wdi h ARG 64 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2wdi h ARG 64 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2wdi h ARG 64 CO 0.01 0.00 0.00 -0.89 -1.07 0.00 0.00 179.97 178.02 2wdi n ILE 65 N -3.67 0.00 0.25 2.04 5.41 -0.86 -3.15 119.36 119.38 2wdi n ILE 65 Ca 0.30 0.48 0.07 0.00 1.00 0.00 0.00 62.75 64.59 2wdi n ILE 65 Cb 1.57 -1.16 0.35 0.00 -0.71 0.00 0.00 39.64 39.69 2wdi n ILE 65 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 2wdi h ASN 66 N 0.00 0.00 -1.44 4.38 -1.24 -0.60 0.51 115.58 117.19 2wdi h ASN 66 Ca 0.00 0.00 -0.62 0.00 0.71 0.00 0.00 56.30 56.39 2wdi h ASN 66 Cb 0.00 0.00 -0.39 0.00 0.73 0.00 0.00 38.32 38.66 2wdi h ASN 66 CO 0.00 0.00 -0.37 0.00 -1.29 0.00 0.00 177.43 175.77 2wdi n ALA 67 N -1.59 5.37 0.00 1.57 0.00 0.12 -3.69 120.51 122.28 2wdi n ALA 67 Ca -0.01 -4.16 0.00 0.00 0.00 0.00 0.00 53.44 49.27 2wdi n ALA 67 Cb 0.57 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.22 2wdi n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdi n ALA 68 N -0.55 0.00 1.06 0.00 0.00 0.16 -4.79 120.51 116.39 2wdi n ALA 68 Ca 0.44 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.98 2wdi n ALA 68 Cb 0.64 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.43 2wdi n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdi n ARG 70 N 0.52 0.29 0.12 0.00 0.63 -1.23 -3.19 116.66 113.80 2wdi n ARG 70 Ca 0.16 0.03 0.13 0.00 -0.92 0.00 0.00 57.85 57.25 2wdi n ARG 70 Cb 0.37 -1.63 0.44 0.00 0.45 0.00 0.00 32.46 32.09 2wdi n ARG 70 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2wdi n GLN 71 N -2.02 0.25 -1.08 -0.14 6.02 -0.89 -2.39 117.38 117.14 2wdi n GLN 71 Ca 0.02 0.30 -0.11 0.00 -0.01 0.00 0.00 57.00 57.20 2wdi n GLN 71 Cb 0.44 -1.85 0.16 0.00 1.02 0.00 0.00 30.24 30.01 2wdi n GLN 71 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2wdi n HIS 72 N -2.30 1.64 0.00 1.08 8.25 -1.19 -5.01 115.22 117.68 2wdi n HIS 72 Ca 0.04 -1.87 0.00 0.00 -0.26 0.00 0.00 57.72 55.64 2wdi n HIS 72 Cb 0.36 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 30.89 2wdi n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdi n GLY 73 N -1.04 2.25 3.16 -1.41 0.00 -1.00 -4.95 105.19 102.19 2wdi n GLY 73 Ca 0.39 0.08 -0.35 0.00 0.00 0.00 0.00 46.02 46.14 2wdi n GLY 73 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2wdi n LEU 74 N 0.00 -3.65 -4.91 0.99 -0.00 -1.25 -4.62 117.00 103.57 2wdi n LEU 74 Ca 0.00 0.21 -0.22 0.00 -0.00 0.00 0.00 56.01 55.99 2wdi n LEU 74 Cb 0.00 -0.91 -0.01 0.00 -0.00 0.00 0.00 43.42 42.50 2wdi n LEU 74 CO 0.00 -4.84 0.06 0.54 -0.00 0.00 0.00 177.39 173.15 2wdi s ASN 75 N -1.39 4.91 0.09 1.45 2.20 -1.26 -3.48 114.94 117.46 2wdi s ASN 75 Ca 0.46 -0.93 -0.26 0.00 -0.94 0.00 0.00 52.86 51.19 2wdi s ASN 75 Cb -0.17 -0.12 -0.15 0.00 -2.00 0.00 0.00 41.25 38.81 2wdi s ASN 75 CO 0.76 -0.90 1.69 0.22 -2.94 0.00 0.00 177.10 175.93 2wdi h TYR 76 N 0.82 -0.34 -1.64 1.54 3.20 -1.90 0.40 116.97 119.05 2wdi h TYR 76 Ca -0.38 -0.00 0.48 0.00 3.14 0.00 0.00 58.73 61.96 2wdi h TYR 76 Cb 1.28 0.12 -0.07 0.00 1.54 0.00 0.00 36.73 39.60 2wdi h TYR 76 CO 0.66 -0.21 1.18 0.66 -1.64 0.00 0.00 178.16 178.81 2wdi h SER 77 N -0.34 0.02 0.00 -2.11 4.64 -1.99 -1.38 113.55 112.40 2wdi h SER 77 Ca -0.02 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2wdi h SER 77 Cb 0.28 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2wdi h SER 77 CO 0.02 -0.01 -0.02 0.74 -0.87 0.00 0.00 176.83 176.69 2wdi h THR 78 N 0.01 0.00 -0.53 2.95 2.02 -1.81 -3.25 112.91 112.31 2wdi h THR 78 Ca 0.80 -0.07 0.17 0.00 0.77 0.00 0.00 66.41 68.08 2wdi h THR 78 Cb 3.14 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 69.45 2wdi h THR 78 CO -0.04 0.00 0.10 0.33 0.37 0.00 0.00 175.52 176.28 2wdi n PHE 79 N -2.34 0.43 0.01 3.16 -0.00 0.07 0.12 117.46 118.92 2wdi n PHE 79 Ca -0.00 0.63 -0.18 0.00 -0.00 0.00 0.00 57.45 57.90 2wdi n PHE 79 Cb 0.01 -0.96 -0.12 0.00 -0.00 0.00 0.00 39.48 38.42 2wdi n PHE 79 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2wdi h ILE 80 N 0.00 1.45 -0.03 -2.13 1.08 -1.48 -2.84 117.51 113.56 2wdi h ILE 80 Ca 0.37 -2.16 0.01 0.00 -0.39 0.00 0.00 64.86 62.68 2wdi h ILE 80 Cb 0.84 2.72 -0.00 0.00 -3.07 0.00 0.00 36.82 37.32 2wdi h ILE 80 CO -0.47 0.62 0.02 -0.74 -0.69 0.00 0.00 178.15 176.90 2wdi h HIS 81 N -0.18 0.00 -0.02 1.37 2.76 0.85 -1.01 115.15 118.92 2wdi h HIS 81 Ca -0.09 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.07 2wdi h HIS 81 Cb 1.36 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.32 2wdi h HIS 81 CO 0.16 0.00 -0.05 0.78 -1.30 0.00 0.00 177.93 177.52 2wdi h GLY 82 N 0.00 0.07 1.01 5.26 0.00 -1.05 -0.85 103.07 107.51 2wdi h GLY 82 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2wdi h GLY 82 CO -0.00 0.08 0.46 1.41 0.00 0.00 0.00 176.54 178.49 2wdi h LEU 83 N -0.53 0.83 0.23 3.11 4.07 -1.17 0.31 115.31 122.16 2wdi h LEU 83 Ca -0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 2wdi h LEU 83 Cb 0.67 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.20 2wdi h LEU 83 CO 0.01 0.62 -0.11 0.50 -1.08 0.00 0.00 178.44 178.38 2wdi h LYS 84 N 0.97 -0.30 -0.97 1.13 1.63 -1.28 0.15 116.57 117.90 2wdi h LYS 84 Ca 0.26 0.02 0.16 0.00 -0.85 0.00 0.00 60.65 60.24 2wdi h LYS 84 Cb -0.09 0.07 -0.10 0.00 -0.60 0.00 0.00 32.23 31.51 2wdi h LYS 84 CO -0.05 0.07 0.58 -0.22 -3.45 0.00 0.00 179.45 176.38 2wdi h LYS 85 N -0.81 0.80 0.08 1.90 3.64 -1.07 -2.24 116.57 118.86 2wdi h LYS 85 Ca -0.03 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2wdi h LYS 85 Cb 0.51 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2wdi h LYS 85 CO 0.05 0.53 -0.04 0.00 -2.27 0.00 0.00 179.45 177.72 2wdi h ALA 86 N 1.59 -1.00 0.00 5.00 0.00 -0.24 -3.48 119.26 121.13 2wdi h ALA 86 Ca 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2wdi h ALA 86 Cb 0.70 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2wdi h ALA 86 CO -0.33 -0.99 0.00 0.41 0.00 0.00 0.00 179.25 178.33 2wdi n GLY 87 N -1.05 0.17 3.08 0.00 0.00 0.34 -5.08 105.19 102.65 2wdi n GLY 87 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2wdi n GLY 87 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wdi s ILE 88 N -0.17 3.91 -0.14 -0.61 -4.36 -0.11 -4.91 121.20 114.80 2wdi s ILE 88 Ca 0.00 -3.49 0.01 0.00 -0.26 0.00 0.00 60.65 56.91 2wdi s ILE 88 Cb 0.00 -3.49 0.07 0.00 1.25 0.00 0.00 42.46 40.29 2wdi s ILE 88 CO 0.00 -0.98 1.04 -1.84 0.24 0.00 0.00 174.94 173.40 2wdi n GLU 89 N 2.83 1.16 0.00 0.37 0.28 -1.26 -4.58 120.64 119.44 2wdi n GLU 89 Ca 0.15 -0.31 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 2wdi n GLU 89 Cb 0.37 -1.17 0.00 0.00 1.43 0.00 0.00 31.44 32.07 2wdi n GLU 89 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2wdi n VAL 90 N 0.30 0.00 0.00 3.84 0.31 -1.26 -4.40 118.33 117.12 2wdi n VAL 90 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2wdi n VAL 90 Cb 0.59 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 2wdi n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2wdi n ASP 91 N 0.00 0.00 -2.61 4.52 4.64 -1.26 -4.47 116.55 117.37 2wdi n ASP 91 Ca 0.00 0.00 -0.10 0.00 -1.38 0.00 0.00 54.79 53.31 2wdi n ASP 91 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.07 2wdi n ASP 91 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2wdi n ARG 92 N 0.00 -2.59 0.00 -0.67 3.00 -1.26 0.98 116.66 116.12 2wdi n ARG 92 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 57.85 58.20 2wdi n ARG 92 Cb 0.00 -4.94 0.00 0.00 0.00 0.00 0.00 32.46 27.52 2wdi n ARG 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wdi n LYS 93 N -2.83 0.00 -0.28 5.56 4.01 -1.26 -4.33 118.16 119.03 2wdi n LYS 93 Ca -0.08 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.67 2wdi n LYS 93 Cb 0.56 -0.40 0.06 0.00 -0.51 0.00 0.00 35.03 34.74 2wdi n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 2wdi h ASN 94 N 0.00 0.99 -0.55 4.39 -1.24 -1.86 -2.87 115.58 114.44 2wdi h ASN 94 Ca 0.00 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 56.90 2wdi h ASN 94 Cb 0.00 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.80 2wdi h ASN 94 CO 0.00 0.82 0.00 0.18 -1.29 0.00 0.00 177.43 177.14 2wdi n LEU 95 N -4.41 3.79 -1.16 0.34 4.77 0.28 -3.78 117.00 116.83 2wdi n LEU 95 Ca 0.07 -1.91 -0.02 0.00 -0.03 0.00 0.00 56.01 54.13 2wdi n LEU 95 Cb 0.11 -0.49 0.11 0.00 -2.33 0.00 0.00 43.42 40.82 2wdi n LEU 95 CO 0.38 0.71 0.59 0.00 -1.33 0.00 0.00 177.39 177.74 2wdi n ALA 96 N 0.98 3.21 0.96 -1.18 0.00 -1.08 -2.72 120.51 120.67 2wdi n ALA 96 Ca 0.21 -0.79 0.09 0.00 0.00 0.00 0.00 53.44 52.95 2wdi n ALA 96 Cb 0.69 -1.09 0.49 0.00 0.00 0.00 0.00 19.45 19.54 2wdi n ALA 96 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wdi n ASP 97 N 0.10 0.00 0.20 0.00 5.75 -1.25 -2.40 116.55 118.95 2wdi n ASP 97 Ca 0.14 -0.16 -0.14 0.00 -0.01 0.00 0.00 54.79 54.63 2wdi n ASP 97 Cb 0.71 -0.20 -0.08 0.00 -1.03 0.00 0.00 41.12 40.52 2wdi n ASP 97 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2wdi h LEU 98 N 0.00 -1.11 -1.12 -2.12 3.38 -1.69 0.13 115.31 112.77 2wdi h LEU 98 Ca 0.00 0.10 0.33 0.00 0.09 0.00 0.00 57.88 58.39 2wdi h LEU 98 Cb 0.12 0.38 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 2wdi h LEU 98 CO 0.00 -0.50 1.21 0.00 0.09 0.00 0.00 178.44 179.25 2wdi n ALA 99 N -2.71 1.08 -0.07 1.53 0.00 -1.01 0.12 120.51 119.44 2wdi n ALA 99 Ca -0.09 0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.62 2wdi n ALA 99 Cb 0.35 -0.65 -0.07 0.00 0.00 0.00 0.00 19.45 19.09 2wdi n ALA 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wdi h VAL 100 N 0.00 0.73 -3.38 0.00 2.07 -1.04 -3.42 116.25 111.21 2wdi h VAL 100 Ca 0.53 -1.66 -0.66 0.00 0.82 0.00 0.00 66.70 65.73 2wdi h VAL 100 Cb 2.95 1.50 -0.19 0.00 -1.52 0.00 0.00 31.29 34.03 2wdi h VAL 100 CO -0.01 0.25 -0.66 -0.13 0.02 0.00 0.00 177.57 177.05 2wdi s ARG 101 N -2.08 3.34 -0.60 1.57 0.52 0.33 -4.74 118.95 117.29 2wdi s ARG 101 Ca -0.15 -0.49 -0.18 0.00 -0.52 0.00 0.00 55.73 54.38 2wdi s ARG 101 Cb 0.01 -2.84 0.03 0.00 0.52 0.00 0.00 34.95 32.67 2wdi s ARG 101 CO 0.38 0.44 0.64 -0.85 0.02 0.00 0.00 175.30 175.93 2wdi n GLU 102 N 2.93 -1.81 -0.05 3.54 0.28 -1.25 -4.28 120.64 120.01 2wdi n GLU 102 Ca -0.18 1.33 -0.07 0.00 -0.16 0.00 0.00 57.16 58.08 2wdi n GLU 102 Cb 0.53 -3.13 0.11 0.00 1.43 0.00 0.00 31.44 30.37 2wdi n GLU 102 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 2wdi h PRO 103 N 1.12 0.68 -1.10 3.44 0.13 -1.82 -3.29 132.00 131.16 2wdi h PRO 103 Ca -0.43 -0.29 0.32 0.00 -0.87 0.00 0.00 66.00 64.73 2wdi h PRO 103 Cb 1.30 -0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.28 2wdi h PRO 103 CO 0.28 0.88 0.69 1.96 -0.23 0.00 0.00 178.00 181.57 2wdi h GLN 104 N 0.58 0.31 -0.41 0.86 7.50 -1.92 1.37 115.11 123.40 2wdi h GLN 104 Ca 0.07 -0.02 0.01 0.00 0.50 0.00 0.00 58.65 59.21 2wdi h GLN 104 Cb 0.77 -0.07 -0.02 0.00 0.05 0.00 0.00 27.48 28.21 2wdi h GLN 104 CO 0.06 0.20 0.27 0.28 -1.50 0.00 0.00 178.83 178.15 2wdi h VAL 105 N 0.32 1.10 0.43 -0.54 2.07 -1.94 -0.94 116.25 116.75 2wdi h VAL 105 Ca 0.69 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 68.01 2wdi h VAL 105 Cb 1.79 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2wdi h VAL 105 CO -0.41 0.10 -0.36 0.15 0.02 0.00 0.00 177.57 177.06 2wdi h PHE 106 N 0.55 -0.98 -1.04 1.57 3.57 0.15 -2.12 116.94 118.64 2wdi h PHE 106 Ca 0.15 0.00 0.28 0.00 3.53 0.00 0.00 57.97 61.93 2wdi h PHE 106 Cb -0.05 0.37 -0.12 0.00 2.79 0.00 0.00 35.95 38.94 2wdi h PHE 106 CO -0.05 -0.52 0.64 0.00 -2.23 0.00 0.00 178.31 176.14 2wdi h ALA 107 N -0.39 2.04 -0.33 2.41 0.00 -0.44 0.48 119.26 123.03 2wdi h ALA 107 Ca -0.04 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2wdi h ALA 107 Cb 0.69 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2wdi h ALA 107 CO -0.02 -0.52 -0.27 0.93 0.00 0.00 0.00 179.25 179.36 2wdi h GLU 108 N 0.44 0.68 0.14 0.00 5.08 -0.62 -1.11 114.58 119.21 2wdi h GLU 108 Ca 0.66 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 2wdi h GLU 108 Cb 1.50 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.72 2wdi h GLU 108 CO -0.43 0.88 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.32 2wdi h LEU 109 N 0.59 -0.16 -0.86 1.33 3.38 0.44 0.19 115.31 120.21 2wdi h LEU 109 Ca 0.08 -0.27 0.19 0.00 0.09 0.00 0.00 57.88 57.97 2wdi h LEU 109 Cb 0.77 0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.40 2wdi h LEU 109 CO 0.06 0.19 -0.11 0.58 0.09 0.00 0.00 178.44 179.26 2wdi h VAL 110 N -0.55 0.16 0.00 1.22 2.07 -0.58 0.54 116.25 119.11 2wdi h VAL 110 Ca -0.02 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2wdi h VAL 110 Cb 0.42 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2wdi h VAL 110 CO 0.03 0.01 0.00 -0.62 0.02 0.00 0.00 177.57 177.01 2wdi n GLU 111 N -5.49 0.00 -0.38 1.57 -0.58 -0.43 -0.91 120.64 114.42 2wdi n GLU 111 Ca 0.15 0.42 0.32 0.00 -0.42 0.00 0.00 57.16 57.63 2wdi n GLU 111 Cb 0.51 -1.41 0.53 0.00 -0.57 0.00 0.00 31.44 30.51 2wdi n GLU 111 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wdi n ARG 112 N -1.74 -0.03 0.00 3.49 5.12 0.65 0.20 116.66 124.35 2wdi n ARG 112 Ca 0.00 0.96 0.00 0.00 -1.93 0.00 0.00 57.85 56.88 2wdi n ARG 112 Cb 0.00 -1.91 0.00 0.00 -1.16 0.00 0.00 32.46 29.39 2wdi n ARG 112 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wdi n ALA 113 N -2.56 -0.17 0.19 7.54 0.00 0.18 -1.01 120.51 124.68 2wdi n ALA 113 Ca 0.31 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.90 2wdi n ALA 113 Cb 1.24 0.00 0.74 0.00 0.00 0.00 0.00 19.45 21.42 2wdi n ALA 113 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2wdi h LYS 114 N 0.00 0.00 -0.59 0.00 2.10 0.28 0.64 116.57 119.00 2wdi h LYS 114 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 2wdi h LYS 114 Cb 0.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 2wdi h LYS 114 CO 0.00 0.00 0.23 0.00 -2.00 0.00 0.00 179.45 177.68 2wdi h ALA 115 N 1.87 1.28 0.00 0.07 0.00 0.22 0.46 119.26 123.17 2wdi h ALA 115 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wdi h ALA 115 Cb 0.37 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2wdi h ALA 115 CO -0.00 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.78 2wdi n ALA 116 N -2.45 2.21 -3.16 0.00 0.00 0.22 -3.11 120.51 114.22 2wdi n ALA 116 Ca 0.05 -0.02 -0.23 0.00 0.00 0.00 0.00 53.44 53.24 2wdi n ALA 116 Cb 0.17 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 2wdi n ALA 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wdi n GLN 117 N -0.56 1.77 0.00 0.00 1.13 0.16 -4.91 117.38 114.97 2wdi n GLN 117 Ca 0.02 -3.95 0.04 0.00 -1.94 0.00 0.00 57.00 51.17 2wdi n GLN 117 Cb 0.01 -1.83 0.24 0.00 0.11 0.00 0.00 30.24 28.77 2wdi n GLN 117 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03