#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5b s LYS 2 N 0.00 4.54 0.15 0.03 -2.85 -1.26 -2.22 119.74 118.13 3d5b s LYS 2 Ca 0.00 1.61 -0.01 0.00 -1.00 0.00 0.00 55.97 56.57 3d5b s LYS 2 Cb 0.00 -3.37 -0.04 0.00 -2.06 0.00 0.00 37.83 32.36 3d5b s LYS 2 CO 0.00 -0.07 0.07 0.14 0.10 0.00 0.00 175.35 175.59 3d5b s VAL 3 N 0.66 0.11 -0.27 1.79 -7.23 -1.18 -1.86 120.40 112.41 3d5b s VAL 3 Ca 0.53 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.78 3d5b s VAL 3 Cb -0.26 -2.17 0.07 0.00 0.56 0.00 0.00 36.38 34.59 3d5b s VAL 3 CO 0.30 -0.35 -0.02 -0.51 -0.31 0.00 0.00 175.10 174.21 3d5b s ILE 4 N -4.06 1.66 -0.23 -0.62 1.10 -0.35 -3.38 121.20 115.32 3d5b s ILE 4 Ca 0.28 -1.51 -0.25 0.00 -0.51 0.00 0.00 60.65 58.66 3d5b s ILE 4 Cb 0.07 -2.00 -0.01 0.00 0.15 0.00 0.00 42.46 40.67 3d5b s ILE 4 CO 0.05 -0.27 0.83 -1.48 -2.11 0.00 0.00 174.94 171.96 3d5b s LEU 5 N 1.30 4.10 -0.78 8.50 2.34 -1.23 -1.10 118.68 131.82 3d5b s LEU 5 Ca -0.01 1.07 -0.01 0.00 0.06 0.00 0.00 54.13 55.24 3d5b s LEU 5 Cb -0.19 -3.20 0.36 0.00 -0.56 0.00 0.00 46.19 42.60 3d5b s LEU 5 CO -0.09 -0.49 1.84 0.00 -1.06 0.00 0.00 176.35 176.55 3d5b n LEU 6 N 5.82 6.98 -3.65 1.48 -0.00 -0.09 -0.98 117.00 126.57 3d5b n LEU 6 Ca 0.05 -4.95 -0.02 0.00 -0.00 0.00 0.00 56.01 51.09 3d5b n LEU 6 Cb 0.48 -0.96 -0.07 0.00 -0.00 0.00 0.00 43.42 42.88 3d5b n LEU 6 CO 0.48 1.87 0.86 -0.70 -0.00 0.00 0.00 177.39 179.90 3d5b s GLU 7 N -3.99 0.26 -0.65 1.47 2.56 -1.25 -4.97 118.70 112.12 3d5b s GLU 7 Ca 0.51 0.39 -0.26 0.00 0.00 0.00 0.00 54.97 55.61 3d5b s GLU 7 Cb 0.42 0.08 -0.12 0.00 2.00 0.00 0.00 34.13 36.51 3d5b s GLU 7 CO -0.36 -0.04 2.43 -0.35 -0.56 0.00 0.00 175.26 176.37 3d5b n PRO 8 N 2.90 0.75 -3.89 4.30 -0.04 -1.26 -4.36 135.00 133.40 3d5b n PRO 8 Ca -0.16 -0.29 -0.35 0.00 -0.04 0.00 0.00 63.50 62.67 3d5b n PRO 8 Cb 0.57 -3.26 -0.09 0.00 -0.04 0.00 0.00 33.50 30.67 3d5b n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3d5b s LEU 9 N 12.29 3.92 0.00 1.53 1.43 -0.19 -5.01 118.68 132.65 3d5b s LEU 9 Ca 1.01 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 3d5b s LEU 9 Cb -0.28 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 43.93 3d5b s LEU 9 CO 0.24 0.15 0.57 -0.62 0.23 0.00 0.00 176.35 176.92 3d5b n GLU 10 N 3.70 0.00 -0.25 1.70 -0.58 -1.26 -1.19 120.64 122.75 3d5b n GLU 10 Ca -0.16 0.39 -0.02 0.00 -0.42 0.00 0.00 57.16 56.95 3d5b n GLU 10 Cb 0.52 -1.07 0.18 0.00 -0.57 0.00 0.00 31.44 30.49 3d5b n GLU 10 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 3d5b h ASN 11 N 0.00 0.95 0.00 1.62 -1.24 -2.02 -3.35 115.58 111.53 3d5b h ASN 11 Ca 0.00 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.94 3d5b h ASN 11 Cb 0.00 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 38.81 3d5b h ASN 11 CO 0.00 0.75 0.00 0.18 -1.29 0.00 0.00 177.43 177.07 3d5b n LEU 12 N -4.36 1.57 0.00 0.34 7.99 -1.18 -5.09 117.00 116.27 3d5b n LEU 12 Ca 0.08 0.24 0.00 0.00 -0.01 0.00 0.00 56.01 56.32 3d5b n LEU 12 Cb 0.09 -0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.39 3d5b n LEU 12 CO 0.38 -0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.86 3d5b n GLY 13 N 1.08 -1.11 3.94 -0.72 0.00 -0.34 -5.03 105.19 103.02 3d5b n GLY 13 Ca 0.00 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 3d5b n GLY 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d5b s ASP 14 N -4.00 3.67 0.50 1.61 1.01 -1.26 -1.03 116.67 117.17 3d5b s ASP 14 Ca 0.00 0.24 -0.23 0.00 0.71 0.00 0.00 52.55 53.27 3d5b s ASP 14 Cb 0.00 -0.45 -0.06 0.00 1.01 0.00 0.00 42.92 43.41 3d5b s ASP 14 CO 0.00 -2.37 1.30 -0.69 0.21 0.00 0.00 175.17 173.63 3d5b s VAL 15 N -3.66 2.42 0.00 -1.27 1.01 -1.26 -3.29 120.40 114.35 3d5b s VAL 15 Ca 0.70 0.33 0.00 0.00 0.00 0.00 0.00 61.98 63.01 3d5b s VAL 15 Cb -0.06 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3d5b s VAL 15 CO 0.50 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3d5b n GLY 16 N 0.63 2.28 3.79 4.51 0.00 -0.15 -4.97 105.19 111.28 3d5b n GLY 16 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3d5b n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d5b s GLN 17 N -0.35 2.18 -0.25 1.61 -0.21 -1.21 -4.89 119.66 116.55 3d5b s GLN 17 Ca 0.00 0.78 0.01 0.00 0.02 0.00 0.00 55.36 56.17 3d5b s GLN 17 Cb 0.00 -1.92 0.07 0.00 1.00 0.00 0.00 33.01 32.16 3d5b s GLN 17 CO 0.00 -1.58 -0.03 0.08 -2.12 0.00 0.00 175.29 171.63 3d5b s VAL 18 N -3.08 1.55 -0.00 1.09 1.01 -1.26 -3.47 120.40 116.24 3d5b s VAL 18 Ca 0.60 -1.35 0.04 0.00 0.00 0.00 0.00 61.98 61.28 3d5b s VAL 18 Cb -0.15 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 3d5b s VAL 18 CO 0.55 -0.20 -0.14 0.54 0.00 0.00 0.00 175.10 175.85 3d5b s VAL 19 N 1.36 1.10 -0.33 2.92 0.11 -1.22 -4.96 120.40 119.38 3d5b s VAL 19 Ca -0.03 -0.67 -0.19 0.00 -2.93 0.00 0.00 61.98 58.16 3d5b s VAL 19 Cb -0.19 -0.93 -0.01 0.00 -1.53 0.00 0.00 36.38 33.72 3d5b s VAL 19 CO -0.08 0.25 0.54 -1.81 -3.33 0.00 0.00 175.10 170.67 3d5b s ASP 20 N -0.49 6.38 0.53 3.54 1.11 -1.26 -3.13 116.67 123.35 3d5b s ASP 20 Ca 0.05 0.17 0.06 0.00 0.18 0.00 0.00 52.55 53.00 3d5b s ASP 20 Cb -0.06 -2.29 0.03 0.00 1.07 0.00 0.00 42.92 41.68 3d5b s ASP 20 CO -0.00 -0.45 0.39 0.68 1.18 0.00 0.00 175.17 176.97 3d5b s VAL 21 N 2.45 1.74 0.29 -1.27 -7.23 -0.94 -4.79 120.40 110.64 3d5b s VAL 21 Ca 0.21 -1.49 -0.29 0.00 -1.81 0.00 0.00 61.98 58.59 3d5b s VAL 21 Cb -0.15 -2.23 -0.10 0.00 0.56 0.00 0.00 36.38 34.46 3d5b s VAL 21 CO 0.12 0.00 1.41 -0.54 -0.31 0.00 0.00 175.10 175.79 3d5b s LYS 22 N -4.26 4.27 0.05 4.82 1.02 -1.26 -0.57 119.74 123.82 3d5b s LYS 22 Ca 0.35 2.32 -0.11 0.00 0.02 0.00 0.00 55.97 58.55 3d5b s LYS 22 Cb -0.02 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.18 3d5b s LYS 22 CO 0.22 -0.37 1.18 -1.35 -0.92 0.00 0.00 175.35 174.10 3d5b h PRO 23 N 4.35 -0.04 -0.62 -1.68 0.11 -1.98 -1.91 132.00 130.23 3d5b h PRO 23 Ca -0.47 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.75 3d5b h PRO 23 Cb 1.22 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.26 3d5b h PRO 23 CO 0.73 -0.03 0.16 0.78 -0.21 0.00 0.00 178.00 179.43 3d5b h GLY 24 N -0.04 0.82 0.83 -0.55 0.00 -1.97 -0.37 103.07 101.79 3d5b h GLY 24 Ca 0.04 -0.05 0.14 0.00 0.00 0.00 0.00 47.33 47.47 3d5b h GLY 24 CO -0.28 -0.10 0.45 -1.82 0.00 0.00 0.00 176.54 174.78 3d5b h TYR 25 N 0.30 0.00 0.00 5.60 -0.00 -1.73 0.29 116.97 121.42 3d5b h TYR 25 Ca 0.33 0.00 -0.34 0.00 -0.00 0.00 0.00 58.73 58.72 3d5b h TYR 25 Cb 0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 36.73 37.15 3d5b h TYR 25 CO -0.23 0.00 -2.31 0.00 -0.00 0.00 0.00 178.16 175.62 3d5b n ALA 26 N -2.46 1.59 0.10 1.82 0.00 -0.41 -2.50 120.51 118.66 3d5b n ALA 26 Ca 0.09 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.30 3d5b n ALA 26 Cb 0.65 -0.27 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 3d5b n ALA 26 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3d5b h ARG 27 N 0.00 0.00 -0.05 0.00 2.43 0.49 0.10 114.38 117.35 3d5b h ARG 27 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3d5b h ARG 27 Cb 2.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.70 3d5b h ARG 27 CO 0.03 0.54 0.00 0.09 -1.51 0.00 0.00 179.97 179.12 3d5b n ASN 28 N -3.18 1.83 0.00 -3.80 3.02 0.84 -4.46 115.26 109.51 3d5b n ASN 28 Ca -0.01 -1.66 0.00 0.00 -0.03 0.00 0.00 54.58 52.88 3d5b n ASN 28 Cb 0.79 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.93 3d5b n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d5b n TYR 29 N -0.12 -0.32 0.00 3.10 9.36 -1.23 -4.86 117.16 123.09 3d5b n TYR 29 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 3d5b n TYR 29 Cb 0.20 0.35 0.00 0.00 -0.63 0.00 0.00 39.34 39.26 3d5b n TYR 29 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3d5b n LEU 30 N -2.05 0.00 -0.15 2.98 4.77 -1.04 -0.77 117.00 120.73 3d5b n LEU 30 Ca 0.00 0.82 -0.03 0.00 -0.03 0.00 0.00 56.01 56.77 3d5b n LEU 30 Cb 0.00 -0.32 0.05 0.00 -2.33 0.00 0.00 43.42 40.82 3d5b n LEU 30 CO 0.00 -0.32 0.84 0.25 -1.33 0.00 0.00 177.39 176.84 3d5b h LEU 31 N 0.00 -0.20 -0.33 2.23 5.85 -1.06 -1.49 115.31 120.31 3d5b h LEU 31 Ca 0.00 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3d5b h LEU 31 Cb 0.00 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3d5b h LEU 31 CO 0.00 -0.07 0.19 -0.65 -0.34 0.00 0.00 178.44 177.58 3d5b h PRO 32 N 0.11 0.46 -0.38 5.25 0.11 -1.72 -2.79 132.00 133.04 3d5b h PRO 32 Ca 0.23 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3d5b h PRO 32 Cb 0.35 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3d5b h PRO 32 CO -0.39 0.37 0.00 0.54 -0.21 0.00 0.00 178.00 178.30 3d5b n ARG 33 N -4.80 1.66 -3.08 1.05 1.74 0.05 -4.91 116.66 108.36 3d5b n ARG 33 Ca -0.01 -0.81 -0.13 0.00 -0.77 0.00 0.00 57.85 56.12 3d5b n ARG 33 Cb 0.06 -1.31 0.06 0.00 -1.02 0.00 0.00 32.46 30.26 3d5b n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d5b n GLY 34 N 0.68 -0.98 0.46 -0.13 0.00 -0.75 -4.97 105.19 99.50 3d5b n GLY 34 Ca 0.07 0.51 -0.04 0.00 0.00 0.00 0.00 46.02 46.56 3d5b n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d5b n LEU 35 N -3.03 1.61 -4.37 0.99 4.77 -0.64 -5.01 117.00 111.33 3d5b n LEU 35 Ca -0.06 0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.74 3d5b n LEU 35 Cb 0.61 -0.13 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 3d5b n LEU 35 CO 0.53 0.32 -0.23 0.00 -1.33 0.00 0.00 177.39 176.69 3d5b s ALA 36 N -2.08 2.08 -0.01 -1.18 0.00 -1.25 -0.91 121.76 118.42 3d5b s ALA 36 Ca -0.06 -1.76 0.03 0.00 0.00 0.00 0.00 51.96 50.17 3d5b s ALA 36 Cb 0.02 0.99 -0.01 0.00 0.00 0.00 0.00 23.12 24.12 3d5b s ALA 36 CO 0.08 -0.44 -0.09 0.08 0.00 0.00 0.00 175.76 175.39 3d5b s VAL 37 N -3.55 0.71 -0.50 0.00 1.01 -0.26 -3.79 120.40 114.03 3d5b s VAL 37 Ca 0.35 -0.38 -0.35 0.00 0.00 0.00 0.00 61.98 61.59 3d5b s VAL 37 Cb 0.06 -0.60 -0.14 0.00 0.00 0.00 0.00 36.38 35.70 3d5b s VAL 37 CO 0.16 0.20 2.29 -0.11 0.00 0.00 0.00 175.10 177.64 3d5b n LEU 38 N 2.87 1.59 -4.43 3.92 7.94 -1.26 -1.21 117.00 126.41 3d5b n LEU 38 Ca -0.14 0.32 -0.32 0.00 -1.11 0.00 0.00 56.01 54.76 3d5b n LEU 38 Cb 0.57 -1.18 -0.05 0.00 0.53 0.00 0.00 43.42 43.29 3d5b n LEU 38 CO 0.25 -0.83 1.67 0.00 -1.11 0.00 0.00 177.39 177.36 3d5b n ALA 39 N 10.22 2.30 -1.91 1.96 0.00 -0.78 -4.84 120.51 127.46 3d5b n ALA 39 Ca 0.47 -3.18 -0.29 0.00 0.00 0.00 0.00 53.44 50.45 3d5b n ALA 39 Cb 0.18 -3.52 0.12 0.00 0.00 0.00 0.00 19.45 16.23 3d5b n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3d5b s THR 40 N 9.25 2.01 0.64 0.00 -4.23 -1.26 -4.81 115.64 117.23 3d5b s THR 40 Ca 0.65 -0.01 0.41 0.00 -1.18 0.00 0.00 61.69 61.55 3d5b s THR 40 Cb 0.02 -3.00 0.42 0.00 1.34 0.00 0.00 72.50 71.29 3d5b s THR 40 CO 0.12 0.00 2.34 -0.08 -0.54 0.00 0.00 174.62 176.46 3d5b h GLU 41 N -1.21 0.00 0.26 3.99 4.81 -2.00 -1.70 114.58 118.73 3d5b h GLU 41 Ca -0.45 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 3d5b h GLU 41 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3d5b h GLU 41 CO 0.57 0.00 -0.12 1.03 -0.73 0.00 0.00 179.01 179.76 3d5b h SER 42 N 0.00 -0.29 0.52 1.04 0.87 -1.95 -3.25 113.55 110.48 3d5b h SER 42 Ca -0.00 -0.23 -0.10 0.00 -1.23 0.00 0.00 61.79 60.23 3d5b h SER 42 Cb 0.01 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3d5b h SER 42 CO 0.00 0.19 -0.47 0.78 -0.53 0.00 0.00 176.83 176.80 3d5b h ASN 43 N -0.91 0.00 -0.36 6.23 2.35 -1.78 -2.38 115.58 118.73 3d5b h ASN 43 Ca -0.04 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3d5b h ASN 43 Cb 0.50 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 3d5b h ASN 43 CO 0.06 0.47 0.24 -0.07 -1.65 0.00 0.00 177.43 176.48 3d5b h LEU 44 N 0.00 0.33 0.10 1.61 3.38 -1.44 0.01 115.31 119.30 3d5b h LEU 44 Ca -0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3d5b h LEU 44 Cb 0.86 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3d5b h LEU 44 CO 0.06 0.23 -0.05 0.11 0.09 0.00 0.00 178.44 178.88 3d5b h LYS 45 N 0.38 -0.13 0.00 1.13 1.79 -1.47 -2.97 116.57 115.31 3d5b h LYS 45 Ca 0.14 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 3d5b h LYS 45 Cb 0.10 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 3d5b h LYS 45 CO -0.03 0.38 0.00 0.00 -1.08 0.00 0.00 179.45 178.72 3d5b h ALA 46 N -0.03 1.00 0.02 3.86 0.00 -1.26 0.29 119.26 123.14 3d5b h ALA 46 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 3d5b h ALA 46 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3d5b h ALA 46 CO 0.02 0.00 -0.97 1.25 0.00 0.00 0.00 179.25 179.55 3d5b h LEU 47 N 0.00 0.47 -1.53 0.00 5.85 -0.98 -2.88 115.31 116.24 3d5b h LEU 47 Ca 0.00 -0.39 -0.05 0.00 0.84 0.00 0.00 57.88 58.27 3d5b h LEU 47 Cb 0.04 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3d5b h LEU 47 CO 0.00 1.21 -0.24 -0.33 -0.34 0.00 0.00 178.44 178.73 3d5b h GLU 48 N 0.19 0.00 -0.11 1.25 4.39 -0.78 -1.37 114.58 118.16 3d5b h GLU 48 Ca -0.08 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 3d5b h GLU 48 Cb 1.62 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.27 3d5b h GLU 48 CO 0.16 0.24 -0.01 0.00 -1.16 0.00 0.00 179.01 178.25 3d5b h ALA 49 N 1.76 0.14 -1.01 3.43 0.00 -1.43 0.11 119.26 122.27 3d5b h ALA 49 Ca -0.00 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 54.87 3d5b h ALA 49 Cb 0.46 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 3d5b h ALA 49 CO 0.03 -0.16 0.62 0.00 0.00 0.00 0.00 179.25 179.75 3d5b h ARG 50 N -0.10 0.85 0.18 0.00 2.47 -1.16 0.18 114.38 116.80 3d5b h ARG 50 Ca 0.03 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 3d5b h ARG 50 Cb 0.38 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 3d5b h ARG 50 CO 0.01 0.56 -0.09 0.82 0.56 0.00 0.00 179.97 181.83 3d5b h ILE 51 N 0.87 0.00 -0.66 2.04 1.08 -1.10 -3.04 117.51 116.70 3d5b h ILE 51 Ca 0.54 -0.47 0.09 0.00 -0.39 0.00 0.00 64.86 64.63 3d5b h ILE 51 Cb 0.71 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.39 3d5b h ILE 51 CO -0.33 0.00 0.31 0.03 -0.69 0.00 0.00 178.15 177.48 3d5b h ARG 52 N -0.72 0.53 0.00 2.37 3.08 -0.71 0.96 114.38 119.90 3d5b h ARG 52 Ca -0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3d5b h ARG 52 Cb 0.19 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3d5b h ARG 52 CO 0.04 0.35 0.00 0.00 -1.07 0.00 0.00 179.97 179.29 3d5b n ALA 53 N -2.41 -0.36 -0.10 0.04 0.00 0.62 -1.59 120.51 116.71 3d5b n ALA 53 Ca 0.09 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.80 3d5b n ALA 53 Cb 0.25 0.07 0.70 0.00 0.00 0.00 0.00 19.45 20.48 3d5b n ALA 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3d5b h GLN 54 N 0.00 0.00 0.00 0.00 4.15 -1.45 0.92 115.11 118.73 3d5b h GLN 54 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3d5b h GLN 54 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3d5b h GLN 54 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.90 3d5b n ALA 55 N -2.51 -0.24 0.66 3.38 0.00 0.32 -2.83 120.51 119.30 3d5b n ALA 55 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.67 3d5b n ALA 55 Cb 0.96 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.76 3d5b n ALA 55 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3d5b n LYS 56 N -1.84 0.22 0.02 0.00 2.85 -0.62 -0.65 118.16 118.13 3d5b n LYS 56 Ca 0.00 0.14 -0.18 0.00 -1.05 0.00 0.00 58.31 57.22 3d5b n LYS 56 Cb 0.00 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 32.77 3d5b n LYS 56 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 3d5b h ARG 57 N 0.00 0.44 0.00 -1.58 2.43 -0.85 -2.35 114.38 112.47 3d5b h ARG 57 Ca 0.00 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3d5b h ARG 57 Cb 0.11 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3d5b h ARG 57 CO 0.00 1.15 -1.18 1.28 -1.51 0.00 0.00 179.97 179.71 3d5b n LEU 58 N -4.16 0.61 0.23 3.80 4.77 -0.98 -2.78 117.00 118.49 3d5b n LEU 58 Ca -0.11 0.17 0.12 0.00 -0.03 0.00 0.00 56.01 56.16 3d5b n LEU 58 Cb 0.72 -0.07 0.33 0.00 -2.33 0.00 0.00 43.42 42.07 3d5b n LEU 58 CO 0.48 -0.08 0.82 0.00 -1.33 0.00 0.00 177.39 177.28 3d5b h ALA 59 N 2.18 0.96 0.00 -1.18 0.00 -0.97 -0.36 119.26 119.89 3d5b h ALA 59 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3d5b h ALA 59 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3d5b h ALA 59 CO 0.00 0.12 -1.63 -1.91 0.00 0.00 0.00 179.25 175.83 3d5b n GLU 60 N -3.15 0.51 0.08 0.00 2.13 -0.88 -2.72 120.64 116.61 3d5b n GLU 60 Ca 0.02 -0.11 -0.06 0.00 0.66 0.00 0.00 57.16 57.67 3d5b n GLU 60 Cb 0.48 -1.56 -0.06 0.00 0.27 0.00 0.00 31.44 30.58 3d5b n GLU 60 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3d5b h ARG 61 N 0.00 0.02 0.00 5.31 3.08 -1.34 -2.22 114.38 119.23 3d5b h ARG 61 Ca 0.00 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3d5b h ARG 61 Cb 0.90 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 3d5b h ARG 61 CO 0.00 0.93 -0.60 -0.22 -1.07 0.00 0.00 179.97 179.01 3d5b h LYS 62 N 0.01 0.00 0.00 0.04 3.64 -1.20 -2.91 116.57 116.15 3d5b h LYS 62 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3d5b h LYS 62 Cb 1.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.45 3d5b h LYS 62 CO 0.12 0.13 0.00 0.00 -2.27 0.00 0.00 179.45 177.43 3d5b h ALA 63 N 1.83 1.00 0.08 5.00 0.00 -1.45 -2.90 119.26 122.82 3d5b h ALA 63 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 3d5b h ALA 63 Cb 1.15 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3d5b h ALA 63 CO 0.02 0.00 -1.73 1.49 0.00 0.00 0.00 179.25 179.03 3d5b h GLU 64 N 0.00 0.16 0.00 0.00 4.57 -1.44 -3.22 114.58 114.66 3d5b h GLU 64 Ca 0.00 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 3d5b h GLU 64 Cb 0.95 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 3d5b h GLU 64 CO 0.00 0.93 0.00 0.00 -1.18 0.00 0.00 179.01 178.76 3d5b n ALA 65 N -2.73 2.26 0.09 2.92 0.00 -1.10 -1.87 120.51 120.08 3d5b n ALA 65 Ca -0.21 -0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.19 3d5b n ALA 65 Cb 1.05 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 3d5b n ALA 65 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3d5b h GLU 66 N 0.00 0.00 0.17 0.00 4.57 -1.51 -2.89 114.58 114.92 3d5b h GLU 66 Ca 0.00 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.87 3d5b h GLU 66 Cb 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.60 3d5b h GLU 66 CO 0.00 0.11 -1.48 0.00 -1.18 0.00 0.00 179.01 176.46 3d5b h ARG 67 N 0.00 0.35 0.00 1.92 -0.00 -1.50 -3.14 114.38 112.01 3d5b h ARG 67 Ca -0.05 -0.60 -0.01 0.00 -0.50 0.00 0.00 59.98 58.82 3d5b h ARG 67 Cb 1.19 0.22 -0.00 0.00 0.00 0.00 0.00 29.97 31.38 3d5b h ARG 67 CO 0.02 1.26 -0.05 -0.07 0.00 0.00 0.00 179.97 181.12 3d5b h LEU 68 N 0.10 0.00 -0.52 3.04 3.38 -1.67 -2.85 115.31 116.79 3d5b h LEU 68 Ca -0.23 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.57 3d5b h LEU 68 Cb 2.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.80 3d5b h LEU 68 CO 0.20 0.05 -0.59 0.50 0.09 0.00 0.00 178.44 178.69 3d5b h LYS 69 N 0.00 0.48 0.07 1.13 1.63 -1.55 -1.40 116.57 116.93 3d5b h LYS 69 Ca -0.00 -0.32 -0.25 0.00 -0.85 0.00 0.00 60.65 59.23 3d5b h LYS 69 Cb 0.79 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.45 3d5b h LYS 69 CO 0.01 0.93 -1.13 0.93 -3.45 0.00 0.00 179.45 176.74 3d5b h GLU 70 N 0.36 0.17 0.01 1.90 4.39 -1.47 -3.30 114.58 116.63 3d5b h GLU 70 Ca -0.00 -0.28 -0.38 0.00 0.34 0.00 0.00 59.36 59.04 3d5b h GLU 70 Cb 1.14 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.82 3d5b h GLU 70 CO 0.11 1.12 -2.37 1.51 -1.16 0.00 0.00 179.01 178.22 3d5b n ILE 71 N -3.48 1.49 1.16 3.13 3.06 -1.09 -3.98 119.36 119.66 3d5b n ILE 71 Ca -0.05 -0.68 0.12 0.00 -2.50 0.00 0.00 62.75 59.64 3d5b n ILE 71 Cb 0.98 -1.12 0.63 0.00 0.54 0.00 0.00 39.64 40.67 3d5b n ILE 71 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3d5b n LEU 72 N -3.10 0.00 -0.08 9.51 7.99 -0.53 -3.23 117.00 127.56 3d5b n LEU 72 Ca -0.39 0.31 -0.11 0.00 -0.01 0.00 0.00 56.01 55.81 3d5b n LEU 72 Cb 1.05 -0.31 -0.15 0.00 -0.11 0.00 0.00 43.42 43.90 3d5b n LEU 72 CO 0.34 -0.05 -1.04 1.21 -1.51 0.00 0.00 177.39 176.35 3d5b n GLU 73 N -1.31 0.68 -1.30 3.23 4.07 -1.24 -4.36 120.64 120.40 3d5b n GLU 73 Ca 0.11 0.08 -0.26 0.00 -0.06 0.00 0.00 57.16 57.03 3d5b n GLU 73 Cb 0.21 -1.58 0.12 0.00 -0.06 0.00 0.00 31.44 30.13 3d5b n GLU 73 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3d5b n ASN 74 N -2.89 5.46 -3.72 4.31 3.02 -1.20 -4.93 115.26 115.31 3d5b n ASN 74 Ca -0.31 -3.73 -0.12 0.00 -0.03 0.00 0.00 54.58 50.39 3d5b n ASN 74 Cb 1.12 -0.83 -0.11 0.00 -0.61 0.00 0.00 39.78 39.35 3d5b n ASN 74 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3d5b s LEU 75 N -3.56 0.31 0.04 3.41 2.96 -1.23 -5.03 118.68 115.58 3d5b s LEU 75 Ca 0.58 0.81 -0.08 0.00 -0.22 0.00 0.00 54.13 55.23 3d5b s LEU 75 Cb 0.48 1.32 -0.05 0.00 0.50 0.00 0.00 46.19 48.44 3d5b s LEU 75 CO 0.04 -0.16 0.33 0.42 -1.32 0.00 0.00 176.35 175.66 3d5b s THR 76 N 0.63 5.21 -0.57 3.68 -4.23 -1.26 -4.20 115.64 114.89 3d5b s THR 76 Ca -0.03 0.30 -0.11 0.00 -1.18 0.00 0.00 61.69 60.66 3d5b s THR 76 Cb -0.05 -3.60 0.15 0.00 1.34 0.00 0.00 72.50 70.33 3d5b s THR 76 CO -0.04 0.33 0.47 -0.22 -0.54 0.00 0.00 174.62 174.62 3d5b s LEU 77 N -1.83 5.95 -0.20 4.79 0.20 -0.96 -5.02 118.68 121.62 3d5b s LEU 77 Ca 0.30 -2.14 -0.27 0.00 0.69 0.00 0.00 54.13 52.71 3d5b s LEU 77 Cb -0.14 -2.07 -0.00 0.00 -0.43 0.00 0.00 46.19 43.55 3d5b s LEU 77 CO 0.17 -0.67 0.92 0.42 -0.29 0.00 0.00 176.35 176.90 3d5b s THR 78 N 1.03 4.79 -0.33 3.68 -4.23 -1.26 -0.46 115.64 118.85 3d5b s THR 78 Ca 0.09 1.79 -0.03 0.00 -1.18 0.00 0.00 61.69 62.35 3d5b s THR 78 Cb -0.23 -4.21 0.06 0.00 1.34 0.00 0.00 72.50 69.46 3d5b s THR 78 CO -0.02 -0.07 0.07 -0.63 -0.54 0.00 0.00 174.62 173.43 3d5b s ILE 79 N 2.69 3.30 -1.11 2.99 -1.09 0.32 -4.96 121.20 123.34 3d5b s ILE 79 Ca 0.40 -1.43 -0.22 0.00 -2.23 0.00 0.00 60.65 57.17 3d5b s ILE 79 Cb -0.16 -2.96 -0.01 0.00 -1.58 0.00 0.00 42.46 37.75 3d5b s ILE 79 CO 0.09 -0.24 1.79 -2.84 -1.23 0.00 0.00 174.94 172.52 3d5b s PRO 80 N 1.28 3.10 0.46 2.79 0.02 -1.26 -0.26 135.00 141.12 3d5b s PRO 80 Ca -0.02 -1.15 0.06 0.00 0.02 0.00 0.00 61.00 59.91 3d5b s PRO 80 Cb -0.20 -5.30 -0.02 0.00 0.02 0.00 0.00 34.50 29.00 3d5b s PRO 80 CO -0.00 -3.06 0.26 0.08 -0.33 0.00 0.00 177.00 173.95 3d5b s VAL 81 N 7.90 2.10 0.13 3.83 1.01 -0.81 -5.00 120.40 129.57 3d5b s VAL 81 Ca 0.61 -1.61 0.01 0.00 0.00 0.00 0.00 61.98 60.99 3d5b s VAL 81 Cb -0.01 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 3d5b s VAL 81 CO 0.04 0.00 0.28 -0.60 0.00 0.00 0.00 175.10 174.82 3d5b s ARG 82 N -4.04 3.45 -0.06 2.72 3.52 -1.26 -4.77 118.95 118.51 3d5b s ARG 82 Ca 0.38 -0.51 -0.26 0.00 -0.13 0.00 0.00 55.73 55.21 3d5b s ARG 82 Cb 0.01 -2.97 0.06 0.00 -1.56 0.00 0.00 34.95 30.49 3d5b s ARG 82 CO 0.21 0.53 0.58 0.00 -0.81 0.00 0.00 175.30 175.82 3d5b s ALA 83 N -1.69 -1.50 0.00 6.12 0.00 -1.26 0.28 121.76 123.72 3d5b s ALA 83 Ca 0.35 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.44 3d5b s ALA 83 Cb -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.90 3d5b s ALA 83 CO 0.28 -0.33 0.10 0.41 0.00 0.00 0.00 175.76 176.22 3d5b n GLY 84 N 1.22 -0.36 0.00 0.00 0.00 -1.05 -4.85 105.19 100.15 3d5b n GLY 84 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3d5b n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d5b n GLU 85 N -0.21 1.14 0.02 1.61 -0.58 -1.26 -4.99 120.64 116.37 3d5b n GLU 85 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3d5b n GLU 85 Cb 0.00 -0.73 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 3d5b n GLU 85 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3d5b n THR 86 N -1.48 0.11 -3.23 2.62 -1.04 -1.26 -5.02 114.28 104.97 3d5b n THR 86 Ca 0.00 0.04 -0.28 0.00 -2.04 0.00 0.00 64.05 61.77 3d5b n THR 86 Cb 0.23 -0.91 -0.02 0.00 -1.82 0.00 0.00 70.33 67.80 3d5b n THR 86 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3d5b s LYS 87 N -2.00 3.60 0.39 -2.82 1.02 -1.26 -0.54 119.74 118.12 3d5b s LYS 87 Ca 0.00 -0.01 -0.23 0.00 0.02 0.00 0.00 55.97 55.75 3d5b s LYS 87 Cb 0.00 -2.60 -0.11 0.00 -0.52 0.00 0.00 37.83 34.61 3d5b s LYS 87 CO 0.00 0.13 0.94 0.42 -0.92 0.00 0.00 175.35 175.92 3d5b s ILE 88 N -2.23 4.33 0.00 2.17 -1.09 -1.15 -2.53 121.20 120.69 3d5b s ILE 88 Ca 0.44 1.60 0.00 0.00 -2.23 0.00 0.00 60.65 60.46 3d5b s ILE 88 Cb -0.10 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 3d5b s ILE 88 CO 0.33 -0.14 0.00 -1.22 -1.23 0.00 0.00 174.94 172.68 3d5b n TYR 89 N -0.18 0.00 0.00 3.97 4.02 0.14 -4.72 117.16 120.39 3d5b n TYR 89 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 3d5b n TYR 89 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 3d5b n TYR 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3d5b n GLY 90 N 0.00 -0.87 0.00 2.72 0.00 -1.26 -5.04 105.19 100.74 3d5b n GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3d5b n GLY 90 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3d5b n SER 91 N 0.00 0.00 -4.54 1.61 2.88 -1.26 -5.07 113.62 107.24 3d5b n SER 91 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 3d5b n SER 91 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 3d5b n SER 91 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3d5b s VAL 92 N 0.00 4.95 0.00 2.46 0.11 -0.97 -4.97 120.40 121.98 3d5b s VAL 92 Ca 0.00 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 3d5b s VAL 92 Cb 0.00 -3.35 0.00 0.00 -1.53 0.00 0.00 36.38 31.50 3d5b s VAL 92 CO 0.00 0.28 0.00 0.35 -3.33 0.00 0.00 175.10 172.40 3d5b n THR 93 N 5.01 0.00 0.72 5.04 -2.24 -1.26 -1.10 114.28 120.45 3d5b n THR 93 Ca -0.15 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.76 3d5b n THR 93 Cb 0.52 -0.29 0.43 0.00 -2.10 0.00 0.00 70.33 68.89 3d5b n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d5b n ALA 94 N -3.00 2.39 -0.07 6.98 0.00 -1.26 -3.77 120.51 121.78 3d5b n ALA 94 Ca 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 3d5b n ALA 94 Cb 0.00 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 17.89 3d5b n ALA 94 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3d5b h LYS 95 N 0.00 0.01 0.00 0.00 1.57 -1.94 -2.71 116.57 113.50 3d5b h LYS 95 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3d5b h LYS 95 Cb 0.68 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3d5b h LYS 95 CO 0.00 1.01 0.06 -0.25 -0.57 0.00 0.00 179.45 179.70 3d5b n ASP 96 N -4.58 0.09 -0.08 0.86 8.00 -1.25 -0.39 116.55 119.20 3d5b n ASP 96 Ca -0.11 0.49 -0.07 0.00 0.71 0.00 0.00 54.79 55.81 3d5b n ASP 96 Cb 0.50 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 3d5b n ASP 96 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3d5b n ILE 97 N -1.58 1.37 0.27 0.53 2.08 -1.23 -3.43 119.36 117.37 3d5b n ILE 97 Ca -0.00 0.19 0.16 0.00 0.56 0.00 0.00 62.75 63.66 3d5b n ILE 97 Cb 0.06 -2.31 0.82 0.00 -0.75 0.00 0.00 39.64 37.46 3d5b n ILE 97 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3d5b h ALA 98 N -1.07 1.00 0.00 -1.39 0.00 -1.25 -0.69 119.26 115.86 3d5b h ALA 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3d5b h ALA 98 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3d5b h ALA 98 CO 0.00 0.00 -0.05 1.49 0.00 0.00 0.00 179.25 180.69 3d5b h GLU 99 N 0.00 0.00 0.00 0.00 4.81 -0.91 -2.93 114.58 115.54 3d5b h GLU 99 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3d5b h GLU 99 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3d5b h GLU 99 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 3d5b n ALA 100 N -2.76 1.54 0.07 2.92 0.00 -1.15 -1.93 120.51 119.19 3d5b n ALA 100 Ca -0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 3d5b n ALA 100 Cb 0.02 -1.22 -0.15 0.00 0.00 0.00 0.00 19.45 18.10 3d5b n ALA 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3d5b h LEU 101 N 0.00 0.51 -0.81 0.00 5.85 -1.25 -1.67 115.31 117.94 3d5b h LEU 101 Ca 0.00 -0.74 0.00 0.00 0.84 0.00 0.00 57.88 57.98 3d5b h LEU 101 Cb 0.22 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3d5b h LEU 101 CO 0.00 1.62 0.00 -1.28 -0.34 0.00 0.00 178.44 178.44 3d5b h SER 102 N 0.09 0.00 0.00 1.25 0.87 -1.20 -3.04 113.55 111.52 3d5b h SER 102 Ca -0.30 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.19 3d5b h SER 102 Cb 2.06 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.01 3d5b h SER 102 CO 0.17 0.00 -0.89 0.54 -0.53 0.00 0.00 176.83 176.12 3d5b n ARG 103 N -2.97 0.50 0.18 2.24 1.74 -0.81 -2.24 116.66 115.29 3d5b n ARG 103 Ca 0.02 0.45 0.18 0.00 -0.77 0.00 0.00 57.85 57.74 3d5b n ARG 103 Cb 0.38 -1.63 0.77 0.00 -1.02 0.00 0.00 32.46 30.96 3d5b n ARG 103 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3d5b h GLN 104 N -1.00 0.00 0.00 5.56 4.20 -1.44 -3.36 115.11 119.07 3d5b h GLN 104 Ca -0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3d5b h GLN 104 Cb 0.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.61 3d5b h GLN 104 CO -0.07 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.81 3d5b n HIS 105 N -3.44 -2.33 0.00 2.96 8.25 -1.21 -5.07 115.22 114.39 3d5b n HIS 105 Ca 0.04 0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 3d5b n HIS 105 Cb 0.53 0.53 0.00 0.00 1.12 0.00 0.00 29.99 32.17 3d5b n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d5b n GLY 106 N 1.73 -0.40 3.71 -1.41 0.00 -0.95 -5.02 105.19 102.85 3d5b n GLY 106 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3d5b n GLY 106 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3d5b s ILE 107 N -0.52 3.54 -0.51 -0.61 1.10 -1.21 -4.85 121.20 118.14 3d5b s ILE 107 Ca 0.00 1.09 -0.18 0.00 -0.51 0.00 0.00 60.65 61.05 3d5b s ILE 107 Cb 0.00 -3.70 0.07 0.00 0.15 0.00 0.00 42.46 38.98 3d5b s ILE 107 CO 0.00 0.08 0.59 -0.89 -2.11 0.00 0.00 174.94 172.61 3d5b s THR 108 N 1.22 4.94 0.06 4.00 2.01 -1.26 -3.37 115.64 123.24 3d5b s THR 108 Ca 0.63 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.96 3d5b s THR 108 Cb -0.34 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 67.84 3d5b s THR 108 CO 0.30 -0.81 -0.08 0.27 -0.69 0.00 0.00 174.62 173.60 3d5b s ILE 109 N 2.43 0.66 -0.17 1.82 -0.00 -1.26 -5.13 121.20 119.55 3d5b s ILE 109 Ca 0.12 -1.31 -0.10 0.00 -0.00 0.00 0.00 60.65 59.37 3d5b s ILE 109 Cb -0.21 -0.91 -0.05 0.00 -0.00 0.00 0.00 42.46 41.29 3d5b s ILE 109 CO 0.10 -0.47 0.15 -1.81 -0.00 0.00 0.00 174.94 172.91 3d5b s ASP 110 N -1.94 6.29 0.00 4.36 1.01 -1.26 -4.82 116.67 120.32 3d5b s ASP 110 Ca -0.04 0.34 0.06 0.00 0.71 0.00 0.00 52.55 53.62 3d5b s ASP 110 Cb -0.07 -2.10 0.29 0.00 1.01 0.00 0.00 42.92 42.06 3d5b s ASP 110 CO -0.00 0.24 1.06 -0.81 0.21 0.00 0.00 175.17 175.87 3d5b n PRO 111 N 3.06 0.07 -0.08 8.23 -0.04 -1.26 -2.26 135.00 142.72 3d5b n PRO 111 Ca -0.17 0.26 -0.15 0.00 -0.04 0.00 0.00 63.50 63.40 3d5b n PRO 111 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 3d5b n PRO 111 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3d5b h LYS 112 N 0.00 0.00 0.00 0.54 1.79 -1.93 -3.35 116.57 113.62 3d5b h LYS 112 Ca 0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 3d5b h LYS 112 Cb 0.06 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 3d5b h LYS 112 CO 0.00 0.94 -0.29 0.00 -1.08 0.00 0.00 179.45 179.01 3d5b h ARG 113 N -1.00 0.00 -6.17 3.15 2.47 -1.76 -3.43 114.38 107.64 3d5b h ARG 113 Ca -0.10 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.05 3d5b h ARG 113 Cb 1.03 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.34 3d5b h ARG 113 CO -0.06 0.29 1.33 -1.17 0.56 0.00 0.00 179.97 180.92 3d5b s LEU 114 N -8.00 3.67 -1.12 3.04 0.20 -1.02 -1.94 118.68 113.50 3d5b s LEU 114 Ca -0.03 1.77 -0.24 0.00 0.69 0.00 0.00 54.13 56.33 3d5b s LEU 114 Cb 0.14 -3.52 -0.10 0.00 -0.43 0.00 0.00 46.19 42.28 3d5b s LEU 114 CO 0.69 -1.64 1.97 0.00 -0.29 0.00 0.00 176.35 177.09 3d5b s ALA 115 N 6.80 1.59 -0.28 5.97 0.00 0.21 -4.80 121.76 131.24 3d5b s ALA 115 Ca 0.87 -1.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.72 3d5b s ALA 115 Cb -0.30 -4.66 0.09 0.00 0.00 0.00 0.00 23.12 18.26 3d5b s ALA 115 CO 0.34 -5.41 0.76 -1.17 0.00 0.00 0.00 175.76 170.29 3d5b s LEU 116 N 11.75 -0.82 -0.09 0.00 2.96 -1.26 -4.30 118.68 126.93 3d5b s LEU 116 Ca 0.71 1.34 0.10 0.00 -0.22 0.00 0.00 54.13 56.06 3d5b s LEU 116 Cb -0.02 2.24 -0.14 0.00 0.50 0.00 0.00 46.19 48.76 3d5b s LEU 116 CO 0.12 -0.21 0.08 -1.84 -1.32 0.00 0.00 176.35 173.18 3d5b n GLU 117 N 4.00 1.87 -2.33 1.98 0.28 -1.26 -4.88 120.64 120.31 3d5b n GLU 117 Ca -0.19 -0.03 -0.43 0.00 -0.16 0.00 0.00 57.16 56.36 3d5b n GLU 117 Cb 0.58 -1.27 -0.02 0.00 1.43 0.00 0.00 31.44 32.16 3d5b n GLU 117 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 3d5b s LYS 118 N -2.37 4.23 -0.94 3.44 2.20 -1.26 -4.94 119.74 120.10 3d5b s LYS 118 Ca -0.05 1.78 -0.24 0.00 -0.36 0.00 0.00 55.97 57.10 3d5b s LYS 118 Cb 0.04 -3.79 -0.02 0.00 -1.51 0.00 0.00 37.83 32.55 3d5b s LYS 118 CO 0.44 -0.72 1.82 -2.14 -0.36 0.00 0.00 175.35 174.39 3d5b s PRO 119 N 3.50 2.83 -0.47 4.03 0.02 -1.26 -4.91 135.00 138.74 3d5b s PRO 119 Ca 0.59 -0.53 -0.43 0.00 0.02 0.00 0.00 61.00 60.65 3d5b s PRO 119 Cb -0.24 -5.15 -0.18 0.00 0.02 0.00 0.00 34.50 28.95 3d5b s PRO 119 CO 0.18 -3.08 2.00 -0.89 -0.33 0.00 0.00 177.00 174.88 3d5b n ILE 120 N 7.62 0.04 -2.18 2.83 5.41 -0.26 -4.76 119.36 128.07 3d5b n ILE 120 Ca 0.38 -0.03 -0.14 0.00 1.00 0.00 0.00 62.75 63.96 3d5b n ILE 120 Cb 0.48 -0.69 0.05 0.00 -0.71 0.00 0.00 39.64 38.77 3d5b n ILE 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3d5b n LYS 121 N 6.66 2.79 -3.98 0.38 4.81 -1.26 -2.30 118.16 125.26 3d5b n LYS 121 Ca 0.46 -3.82 -0.09 0.00 -0.87 0.00 0.00 58.31 53.99 3d5b n LYS 121 Cb -0.00 -1.95 -0.10 0.00 0.02 0.00 0.00 35.03 33.00 3d5b n LYS 121 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3d5b s GLU 122 N -3.44 0.41 0.25 1.64 2.12 -1.26 -2.95 118.70 115.47 3d5b s GLU 122 Ca 0.43 -0.69 -0.08 0.00 0.36 0.00 0.00 54.97 54.99 3d5b s GLU 122 Cb 0.38 0.15 -0.06 0.00 0.26 0.00 0.00 34.13 34.86 3d5b s GLU 122 CO -0.00 -0.08 0.56 -1.17 -0.54 0.00 0.00 175.26 174.03 3d5b s LEU 123 N -1.75 4.12 0.00 2.70 0.20 0.30 -4.66 118.68 119.58 3d5b s LEU 123 Ca -0.11 0.86 0.00 0.00 0.69 0.00 0.00 54.13 55.57 3d5b s LEU 123 Cb -0.06 -3.64 0.00 0.00 -0.43 0.00 0.00 46.19 42.06 3d5b s LEU 123 CO -0.02 -0.13 0.00 0.61 -0.29 0.00 0.00 176.35 176.52 3d5b n GLY 124 N -0.44 0.53 3.54 7.98 0.00 -0.09 -4.95 105.19 111.76 3d5b n GLY 124 Ca -0.00 -2.16 -0.31 0.00 0.00 0.00 0.00 46.02 43.55 3d5b n GLY 124 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3d5b s GLU 125 N -0.78 2.29 0.32 1.61 1.03 -1.26 -1.15 118.70 120.76 3d5b s GLU 125 Ca 0.00 -0.88 0.05 0.00 0.03 0.00 0.00 54.97 54.17 3d5b s GLU 125 Cb 0.00 -2.35 -0.03 0.00 -0.80 0.00 0.00 34.13 30.95 3d5b s GLU 125 CO 0.00 0.56 0.21 0.71 -1.33 0.00 0.00 175.26 175.41 3d5b s TYR 126 N -1.02 1.64 -0.44 4.83 1.51 -1.25 -4.96 117.35 117.67 3d5b s TYR 126 Ca 0.17 -1.52 0.04 0.00 -1.01 0.00 0.00 57.07 54.75 3d5b s TYR 126 Cb -0.11 -0.78 0.12 0.00 -0.11 0.00 0.00 41.96 41.08 3d5b s TYR 126 CO 0.08 -0.69 0.17 0.08 -1.11 0.00 0.00 175.55 174.08 3d5b s VAL 127 N -3.55 2.48 0.23 0.71 1.01 -1.26 0.02 120.40 120.03 3d5b s VAL 127 Ca 0.37 -2.89 -0.04 0.00 0.00 0.00 0.00 61.98 59.42 3d5b s VAL 127 Cb 0.04 -2.77 0.06 0.00 0.00 0.00 0.00 36.38 33.70 3d5b s VAL 127 CO 0.22 -0.71 0.20 0.18 0.00 0.00 0.00 175.10 174.99 3d5b n LEU 128 N 3.61 0.00 -3.68 3.92 4.77 -0.57 -4.87 117.00 120.18 3d5b n LEU 128 Ca 0.05 -0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 55.71 3d5b n LEU 128 Cb 0.36 -0.19 -0.11 0.00 -2.33 0.00 0.00 43.42 41.16 3d5b n LEU 128 CO 0.29 -1.20 0.04 -0.89 -1.33 0.00 0.00 177.39 174.30 3d5b s THR 129 N -1.38 -0.22 0.04 -5.08 2.01 -1.26 -2.80 115.64 106.96 3d5b s THR 129 Ca 0.13 0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.30 3d5b s THR 129 Cb -0.01 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 3d5b s THR 129 CO 0.10 0.05 -0.08 -0.47 -0.69 0.00 0.00 174.62 173.53 3d5b s TYR 130 N 1.78 2.83 -0.66 4.92 5.04 0.11 0.65 117.35 132.04 3d5b s TYR 130 Ca -0.07 -0.09 0.05 0.00 -2.44 0.00 0.00 57.07 54.52 3d5b s TYR 130 Cb -0.10 -1.54 0.16 0.00 0.35 0.00 0.00 41.96 40.83 3d5b s TYR 130 CO -0.13 0.39 0.44 0.15 -1.34 0.00 0.00 175.55 175.07 3d5b s LYS 131 N -1.72 2.28 -0.00 4.97 1.02 -0.82 -1.37 119.74 124.10 3d5b s LYS 131 Ca 0.19 -3.14 -0.20 0.00 0.02 0.00 0.00 55.97 52.84 3d5b s LYS 131 Cb -0.11 -3.28 -0.26 0.00 -0.52 0.00 0.00 37.83 33.66 3d5b s LYS 131 CO 0.10 -1.26 1.05 -1.35 -0.92 0.00 0.00 175.35 172.98 3d5b h PRO 132 N 5.61 0.41 -6.57 -1.68 0.11 -1.85 -3.45 132.00 124.58 3d5b h PRO 132 Ca 0.11 -0.49 -0.69 0.00 0.11 0.00 0.00 66.00 65.05 3d5b h PRO 132 Cb 0.79 0.15 -0.29 0.00 0.11 0.00 0.00 31.00 31.76 3d5b h PRO 132 CO 0.69 1.16 -0.88 -1.58 -0.21 0.00 0.00 178.00 177.18 3d5b s HIS 133 N -3.02 2.26 0.47 0.65 5.65 -1.25 -5.03 115.29 115.02 3d5b s HIS 133 Ca -0.13 -0.42 0.17 0.00 0.25 0.00 0.00 55.06 54.93 3d5b s HIS 133 Cb 0.03 -1.43 1.15 0.00 -1.18 0.00 0.00 32.58 31.15 3d5b s HIS 133 CO 0.83 0.00 2.01 -1.35 -0.65 0.00 0.00 174.74 175.58 3d5b h PRO 134 N 5.32 0.25 -0.13 2.88 0.11 -2.00 -2.80 132.00 135.63 3d5b h PRO 134 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3d5b h PRO 134 Cb 1.13 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3d5b h PRO 134 CO 0.46 0.17 0.00 -0.85 -0.21 0.00 0.00 178.00 177.57 3d5b n GLU 135 N -4.46 1.63 -3.40 1.05 0.28 -1.26 -4.78 120.64 109.70 3d5b n GLU 135 Ca 0.08 -1.46 -0.26 0.00 -0.16 0.00 0.00 57.16 55.36 3d5b n GLU 135 Cb 0.39 -1.16 -0.09 0.00 1.43 0.00 0.00 31.44 32.00 3d5b n GLU 135 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3d5b n VAL 136 N 0.29 -0.63 -1.36 3.84 0.31 -1.06 -5.13 118.33 114.59 3d5b n VAL 136 Ca 0.06 -3.79 -0.29 0.00 -0.01 0.00 0.00 64.34 60.31 3d5b n VAL 136 Cb 0.29 -1.80 0.14 0.00 -0.91 0.00 0.00 33.84 31.56 3d5b n VAL 136 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3d5b s PRO 137 N -0.50 1.17 -0.07 5.55 0.02 -1.26 -3.97 135.00 135.94 3d5b s PRO 137 Ca 0.33 0.55 -0.03 0.00 0.02 0.00 0.00 61.00 61.87 3d5b s PRO 137 Cb 0.07 -1.82 0.04 0.00 0.02 0.00 0.00 34.50 32.80 3d5b s PRO 137 CO -0.17 -2.23 0.09 0.42 -0.33 0.00 0.00 177.00 174.77 3d5b s ILE 138 N -3.08 -0.14 -0.58 2.83 1.01 -0.47 -4.98 121.20 115.79 3d5b s ILE 138 Ca 0.63 0.31 -0.28 0.00 0.00 0.00 0.00 60.65 61.32 3d5b s ILE 138 Cb -0.16 -0.25 0.01 0.00 0.01 0.00 0.00 42.46 42.07 3d5b s ILE 138 CO 0.56 0.10 1.43 -1.10 0.00 0.00 0.00 174.94 175.92 3d5b s GLN 139 N 2.19 3.25 -0.50 2.79 1.11 -1.26 0.10 119.66 127.34 3d5b s GLN 139 Ca 0.04 0.40 -0.24 0.00 0.01 0.00 0.00 55.36 55.58 3d5b s GLN 139 Cb -0.13 -4.14 0.03 0.00 -1.01 0.00 0.00 33.01 27.76 3d5b s GLN 139 CO -0.05 -2.00 0.86 -1.17 0.01 0.00 0.00 175.29 172.95 3d5b s LEU 140 N 6.20 4.20 0.34 2.90 2.96 -1.12 -4.54 118.68 129.62 3d5b s LEU 140 Ca 0.52 -0.24 -0.28 0.00 -0.22 0.00 0.00 54.13 53.91 3d5b s LEU 140 Cb -0.11 -2.91 -0.12 0.00 0.50 0.00 0.00 46.19 43.56 3d5b s LEU 140 CO 0.24 -1.07 1.40 0.29 -1.32 0.00 0.00 176.35 175.89 3d5b n LYS 141 N 7.07 2.38 -3.85 1.98 5.02 -1.26 -1.52 118.16 127.98 3d5b n LYS 141 Ca 0.02 0.84 -0.22 0.00 -2.02 0.00 0.00 58.31 56.92 3d5b n LYS 141 Cb 0.48 -2.50 -0.05 0.00 -0.02 0.00 0.00 35.03 32.94 3d5b n LYS 141 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3d5b s VAL 142 N -0.92 2.79 -0.41 -0.18 1.01 0.10 -2.27 120.40 120.52 3d5b s VAL 142 Ca 0.56 -1.51 0.05 0.00 0.00 0.00 0.00 61.98 61.09 3d5b s VAL 142 Cb -0.53 -3.02 0.31 0.00 0.00 0.00 0.00 36.38 33.14 3d5b s VAL 142 CO 0.61 -0.07 1.20 -0.24 0.00 0.00 0.00 175.10 176.60 3d5b n SER 143 N -1.36 -1.95 -4.55 3.32 2.88 0.40 -3.79 113.62 108.56 3d5b n SER 143 Ca 0.00 -2.94 -0.38 0.00 -1.33 0.00 0.00 58.87 54.21 3d5b n SER 143 Cb 0.62 1.60 -0.03 0.00 -0.75 0.00 0.00 64.21 65.65 3d5b n SER 143 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3d5b s VAL 144 N 0.22 3.32 -2.74 2.46 1.01 -0.30 -0.52 120.40 123.85 3d5b s VAL 144 Ca 0.22 0.20 0.26 0.00 0.00 0.00 0.00 61.98 62.66 3d5b s VAL 144 Cb 0.28 -3.80 0.38 0.00 0.00 0.00 0.00 36.38 33.24 3d5b s VAL 144 CO -0.12 -0.75 1.51 0.52 0.00 0.00 0.00 175.10 176.26