#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5b s LEU 6 N 0.00 3.77 0.17 -2.67 2.34 -1.26 -5.03 118.68 115.99 3d5b s LEU 6 Ca 0.00 -0.33 -0.25 0.00 0.06 0.00 0.00 54.13 53.61 3d5b s LEU 6 Cb 0.00 -2.35 0.04 0.00 -0.56 0.00 0.00 46.19 43.32 3d5b s LEU 6 CO 0.00 -0.20 1.57 -0.09 -1.06 0.00 0.00 176.35 176.57 3d5b h ARG 7 N 1.33 -0.23 -6.49 1.48 9.65 -2.10 -3.42 114.38 114.60 3d5b h ARG 7 Ca -0.47 0.02 -0.60 0.00 -1.10 0.00 0.00 59.98 57.82 3d5b h ARG 7 Cb 1.25 0.05 0.11 0.00 -1.39 0.00 0.00 29.97 29.99 3d5b h ARG 7 CO 0.59 -0.15 0.12 -2.30 2.80 0.00 0.00 179.97 181.03 3d5b n PRO 8 N -5.41 1.34 -2.87 0.20 -0.02 -1.26 -3.31 135.00 123.67 3d5b n PRO 8 Ca 0.02 0.47 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 3d5b n PRO 8 Cb 0.35 -1.86 0.05 0.00 -0.02 0.00 0.00 33.50 32.02 3d5b n PRO 8 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3d5b n ASN 9 N 1.13 -2.04 -0.00 2.55 5.15 -1.26 -4.97 115.26 115.82 3d5b n ASN 9 Ca 0.09 -0.38 0.03 0.00 -0.60 0.00 0.00 54.58 53.73 3d5b n ASN 9 Cb 0.33 -3.30 -0.04 0.00 -0.53 0.00 0.00 39.78 36.24 3d5b n ASN 9 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3d5b n PRO 10 N -2.90 1.87 -0.95 1.20 -0.04 -1.21 -5.05 135.00 127.93 3d5b n PRO 10 Ca -0.17 -0.03 -0.36 0.00 -0.04 0.00 0.00 63.50 62.89 3d5b n PRO 10 Cb 0.60 -1.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.12 3d5b n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3d5b n GLY 11 N 1.84 -3.79 2.92 0.55 0.00 -1.26 -4.75 105.19 100.70 3d5b n GLY 11 Ca -0.00 -0.66 -0.44 0.00 0.00 0.00 0.00 46.02 44.92 3d5b n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5b n ALA 12 N -2.98 -2.77 -0.79 4.61 0.00 -1.26 -4.70 120.51 112.62 3d5b n ALA 12 Ca -0.00 0.41 -0.18 0.00 0.00 0.00 0.00 53.44 53.67 3d5b n ALA 12 Cb 0.60 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 3d5b n ALA 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3d5b n ASN 13 N 1.58 4.80 -3.24 0.00 2.04 -1.26 -4.60 115.26 114.58 3d5b n ASN 13 Ca 0.16 -2.28 -0.06 0.00 -0.44 0.00 0.00 54.58 51.96 3d5b n ASN 13 Cb 0.17 -1.09 0.00 0.00 -2.53 0.00 0.00 39.78 36.33 3d5b n ASN 13 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 3d5b n LYS 14 N 3.40 -1.38 0.00 -3.83 5.02 -1.26 -4.87 118.16 115.23 3d5b n LYS 14 Ca 0.42 1.31 0.00 0.00 -2.02 0.00 0.00 58.31 58.02 3d5b n LYS 14 Cb 0.37 -4.94 0.00 0.00 -0.02 0.00 0.00 35.03 30.44 3d5b n LYS 14 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3d5b n ARG 15 N -2.01 0.00 -0.03 1.97 3.00 -1.26 -5.03 116.66 113.30 3d5b n ARG 15 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.77 3d5b n ARG 15 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 33.01 3d5b n ARG 15 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 3d5b h ARG 16 N 0.00 0.00 -6.19 -0.14 1.12 -1.89 -3.50 114.38 103.78 3d5b h ARG 16 Ca 0.00 0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 58.72 3d5b h ARG 16 Cb 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 29.97 3d5b h ARG 16 CO 0.00 0.00 -1.03 1.63 -3.11 0.00 0.00 179.97 177.46 3d5b n LYS 17 N -3.60 -1.50 -0.67 0.20 5.02 -1.26 -4.75 118.16 111.60 3d5b n LYS 17 Ca -0.01 1.40 -0.12 0.00 -2.02 0.00 0.00 58.31 57.55 3d5b n LYS 17 Cb 0.04 -2.38 -0.08 0.00 -0.02 0.00 0.00 35.03 32.59 3d5b n LYS 17 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3d5b n ARG 18 N 0.49 1.54 -1.50 1.97 1.74 -1.26 -4.76 116.66 114.88 3d5b n ARG 18 Ca -0.02 -0.89 -0.40 0.00 -0.77 0.00 0.00 57.85 55.76 3d5b n ARG 18 Cb 0.51 -2.01 -0.02 0.00 -1.02 0.00 0.00 32.46 29.93 3d5b n ARG 18 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3d5b n VAL 19 N 3.12 3.30 -2.04 1.55 0.24 -1.26 -4.94 118.33 118.30 3d5b n VAL 19 Ca 0.33 -2.61 -0.42 0.00 -2.04 0.00 0.00 64.34 59.60 3d5b n VAL 19 Cb 0.44 -2.54 -0.03 0.00 -1.47 0.00 0.00 33.84 30.24 3d5b n VAL 19 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3d5b s GLY 20 N 3.30 1.72 0.06 7.63 0.00 -1.26 -4.95 107.32 113.82 3d5b s GLY 20 Ca 0.53 1.21 -0.31 0.00 0.00 0.00 0.00 44.72 46.15 3d5b s GLY 20 CO -0.05 2.58 1.30 1.09 0.00 0.00 0.00 173.10 178.03 3d5b s ARG 21 N 1.58 4.36 -0.60 2.90 1.70 -1.26 -4.99 118.95 122.64 3d5b s ARG 21 Ca 0.68 1.91 -0.16 0.00 -0.47 0.00 0.00 55.73 57.69 3d5b s ARG 21 Cb -0.39 -3.37 0.14 0.00 -0.57 0.00 0.00 34.95 30.75 3d5b s ARG 21 CO 0.31 -0.40 0.59 0.20 -1.08 0.00 0.00 175.30 174.92 3d5b s GLY 22 N 1.27 2.11 0.00 3.88 0.00 -1.26 -4.95 107.32 108.37 3d5b s GLY 22 Ca 0.62 -2.60 0.13 0.00 0.00 0.00 0.00 44.72 42.86 3d5b s GLY 22 CO 0.28 1.30 1.29 -1.05 0.00 0.00 0.00 173.10 174.92 3d5b n PRO 23 N 5.30 0.27 -3.71 2.90 -0.02 -1.26 -4.59 135.00 133.89 3d5b n PRO 23 Ca -0.08 0.10 -0.18 0.00 -2.02 0.00 0.00 63.50 61.32 3d5b n PRO 23 Cb 0.42 -1.50 -0.17 0.00 -0.02 0.00 0.00 33.50 32.22 3d5b n PRO 23 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3d5b s GLY 24 N -2.36 0.18 0.00 -1.23 0.00 -1.12 -3.21 107.32 99.58 3d5b s GLY 24 Ca 0.15 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.09 3d5b s GLY 24 CO 0.18 1.14 0.00 -1.14 0.00 0.00 0.00 173.10 173.28 3d5b n SER 25 N 4.90 0.00 0.00 1.64 3.41 -1.19 -5.01 113.62 117.38 3d5b n SER 25 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 3d5b n SER 25 Cb 0.50 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 3d5b n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d5b n GLY 26 N -1.14 0.94 3.59 5.00 0.00 -1.26 -5.05 105.19 107.28 3d5b n GLY 26 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3d5b n GLY 26 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3d5b s HIS 27 N -0.65 -0.79 0.00 1.61 5.65 -1.26 -4.91 115.29 114.95 3d5b s HIS 27 Ca 0.00 1.86 0.00 0.00 0.25 0.00 0.00 55.06 57.17 3d5b s HIS 27 Cb 0.00 0.30 0.00 0.00 -1.18 0.00 0.00 32.58 31.70 3d5b s HIS 27 CO 0.00 -0.38 0.00 0.41 -0.65 0.00 0.00 174.74 174.12 3d5b n GLY 28 N 2.91 1.90 2.66 1.59 0.00 -1.26 -4.78 105.19 108.21 3d5b n GLY 28 Ca -0.15 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 3d5b n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d5b s LYS 29 N 0.00 0.11 0.00 1.61 3.01 -1.26 -5.01 119.74 118.20 3d5b s LYS 29 Ca 0.00 0.01 0.00 0.00 -1.01 0.00 0.00 55.97 54.97 3d5b s LYS 29 Cb 0.00 -1.59 0.00 0.00 -1.01 0.00 0.00 37.83 35.23 3d5b s LYS 29 CO 0.00 -0.68 0.00 2.41 0.51 0.00 0.00 175.35 177.59 3d5b n THR 30 N 5.29 0.00 0.00 2.17 -1.04 -1.25 -2.78 114.28 116.68 3d5b n THR 30 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3d5b n THR 30 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 3d5b n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3d5b n ALA 31 N -3.00 0.00 -0.21 2.41 0.00 -1.26 0.70 120.51 119.15 3d5b n ALA 31 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.75 3d5b n ALA 31 Cb 0.00 0.46 0.69 0.00 0.00 0.00 0.00 19.45 20.60 3d5b n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d5b h THR 32 N 0.00 0.28 -4.69 0.00 1.03 -1.94 -3.46 112.91 104.13 3d5b h THR 32 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 3d5b h THR 32 Cb 0.00 0.36 -0.06 0.00 -1.07 0.00 0.00 68.15 67.39 3d5b h THR 32 CO 0.00 0.00 -1.07 -1.14 -0.01 0.00 0.00 175.52 173.30 3d5b n ARG 33 N -3.83 -3.33 -1.23 0.00 3.00 0.22 -4.65 116.66 106.83 3d5b n ARG 33 Ca 0.21 2.66 0.16 0.00 -0.00 0.00 0.00 57.85 60.89 3d5b n ARG 33 Cb 1.18 -4.49 -0.05 0.00 0.00 0.00 0.00 32.46 29.11 3d5b n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3d5b n GLY 34 N 0.98 -2.23 3.54 5.14 0.00 -1.20 -4.54 105.19 106.89 3d5b n GLY 34 Ca -0.17 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.26 3d5b n GLY 34 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3d5b n HIS 35 N -3.91 1.49 0.00 1.61 1.44 -1.26 -4.66 115.22 109.93 3d5b n HIS 35 Ca -0.02 0.10 0.00 0.00 -2.01 0.00 0.00 57.72 55.80 3d5b n HIS 35 Cb 0.57 -2.62 0.00 0.00 0.12 0.00 0.00 29.99 28.05 3d5b n HIS 35 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3d5b n LYS 36 N 8.80 0.00 0.00 -1.40 5.02 -1.26 -5.05 118.16 124.27 3d5b n LYS 36 Ca 0.39 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 3d5b n LYS 36 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 3d5b n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d5b n GLY 37 N 0.00 2.70 0.00 0.72 0.00 -1.26 -4.89 105.19 102.45 3d5b n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3d5b n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5b n GLN 38 N -0.57 0.48 -3.78 1.61 10.64 -1.26 -5.11 117.38 119.39 3d5b n GLN 38 Ca 0.00 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 55.01 3d5b n GLN 38 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 3d5b n GLN 38 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3d5b n LYS 39 N 0.00 0.34 -1.65 2.61 0.00 -1.26 -4.80 118.16 113.40 3d5b n LYS 39 Ca 0.00 -2.65 -0.20 0.00 0.00 0.00 0.00 58.31 55.46 3d5b n LYS 39 Cb 0.00 2.13 -0.08 0.00 0.00 0.00 0.00 35.03 37.08 3d5b n LYS 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3d5b n SER 40 N -1.94 -5.47 -3.66 3.14 2.88 -1.26 -4.92 113.62 102.40 3d5b n SER 40 Ca 0.05 0.46 -0.27 0.00 -1.33 0.00 0.00 58.87 57.78 3d5b n SER 40 Cb 0.48 -4.73 -0.10 0.00 -0.75 0.00 0.00 64.21 59.11 3d5b n SER 40 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3d5b n ARG 41 N -2.45 1.60 0.00 -1.46 5.12 -1.26 -4.54 116.66 113.66 3d5b n ARG 41 Ca -0.21 -4.20 0.00 0.00 -1.93 0.00 0.00 57.85 51.51 3d5b n ARG 41 Cb 0.67 -2.09 0.00 0.00 -1.16 0.00 0.00 32.46 29.87 3d5b n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3d5b n SER 42 N 1.85 0.00 0.00 0.55 3.41 -1.26 -5.00 113.62 113.17 3d5b n SER 42 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 3d5b n SER 42 Cb 0.40 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 3d5b n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d5b n GLY 43 N -0.76 -0.41 3.64 5.00 0.00 -1.26 -5.12 105.19 106.28 3d5b n GLY 43 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3d5b n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d5b s GLY 44 N -1.51 0.21 0.83 -0.02 0.00 -1.26 -5.17 107.32 100.39 3d5b s GLY 44 Ca 0.00 3.24 -0.14 0.00 0.00 0.00 0.00 44.72 47.82 3d5b s GLY 44 CO 0.00 1.81 0.75 -0.10 0.00 0.00 0.00 173.10 175.56 3d5b n LEU 45 N 1.58 0.00 0.00 0.66 0.00 -1.26 -5.02 117.00 112.95 3d5b n LEU 45 Ca -0.10 -0.80 0.00 0.00 0.00 0.00 0.00 56.01 55.11 3d5b n LEU 45 Cb 0.57 -0.68 0.00 0.00 0.00 0.00 0.00 43.42 43.30 3d5b n LEU 45 CO 0.02 -1.77 0.17 1.17 0.00 0.00 0.00 177.39 176.98 3d5b n LYS 46 N -3.74 0.00 0.04 1.96 3.00 -1.26 -4.89 118.16 113.27 3d5b n LYS 46 Ca 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.41 3d5b n LYS 46 Cb 0.40 -0.83 -0.00 0.00 0.00 0.00 0.00 35.03 34.60 3d5b n LYS 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3d5b n ASP 47 N -0.34 0.93 -0.04 3.14 4.64 -1.26 -5.03 116.55 118.59 3d5b n ASP 47 Ca 0.00 0.12 0.02 0.00 -1.38 0.00 0.00 54.79 53.54 3d5b n ASP 47 Cb 0.00 -0.28 -0.16 0.00 -1.04 0.00 0.00 41.12 39.64 3d5b n ASP 47 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3d5b n PRO 48 N -3.42 0.67 -1.45 -0.67 -0.05 -1.26 -5.08 135.00 123.75 3d5b n PRO 48 Ca -0.00 -0.10 -0.46 0.00 -0.05 0.00 0.00 63.50 62.89 3d5b n PRO 48 Cb 0.09 -1.54 -0.02 0.00 -0.05 0.00 0.00 33.50 31.98 3d5b n PRO 48 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 175.50 178.34 3d5b n ARG 49 N -2.50 0.40 0.00 0.54 0.00 -1.26 0.07 116.66 113.91 3d5b n ARG 49 Ca -0.16 0.14 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 3d5b n ARG 49 Cb 0.83 -1.25 0.00 0.00 -0.00 0.00 0.00 32.46 32.03 3d5b n ARG 49 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3d5b n ARG 50 N 0.92 0.00 0.00 2.89 0.00 -1.26 -4.70 116.66 114.51 3d5b n ARG 50 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 3d5b n ARG 50 Cb 0.28 -2.32 0.00 0.00 0.00 0.00 0.00 32.46 30.42 3d5b n ARG 50 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3d5b n PHE 51 N -1.28 0.00 -0.26 -0.14 7.35 0.11 -4.82 117.46 118.42 3d5b n PHE 51 Ca 0.00 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.47 3d5b n PHE 51 Cb 0.00 0.00 0.22 0.00 0.35 0.00 0.00 39.48 40.05 3d5b n PHE 51 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 3d5b n GLU 52 N 0.00 -3.52 0.00 -4.13 4.07 -1.13 -4.78 120.64 111.15 3d5b n GLU 52 Ca 0.00 -1.06 0.00 0.00 -0.06 0.00 0.00 57.16 56.04 3d5b n GLU 52 Cb 0.00 -1.52 0.00 0.00 -0.06 0.00 0.00 31.44 29.86 3d5b n GLU 52 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3d5b n GLY 53 N -3.84 3.70 0.00 8.31 0.00 -1.26 -4.93 105.19 107.17 3d5b n GLY 53 Ca 0.10 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3d5b n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5b n GLY 54 N 0.00 3.09 0.75 -0.02 0.00 -1.26 -5.03 105.19 102.72 3d5b n GLY 54 Ca 0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 46.02 45.08 3d5b n GLY 54 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3d5b n ARG 55 N 0.00 -0.90 -2.01 1.61 1.85 -1.26 -4.89 116.66 111.06 3d5b n ARG 55 Ca 0.00 -0.39 -0.36 0.00 -1.00 0.00 0.00 57.85 56.11 3d5b n ARG 55 Cb 0.00 -0.31 -0.03 0.00 -1.05 0.00 0.00 32.46 31.07 3d5b n ARG 55 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 3d5b s SER 56 N -2.06 5.18 1.01 2.89 0.01 -1.26 -4.95 113.70 114.52 3d5b s SER 56 Ca 0.15 0.17 -0.21 0.00 1.31 0.00 0.00 55.95 57.37 3d5b s SER 56 Cb -0.01 -2.53 -0.11 0.00 0.21 0.00 0.00 66.02 63.58 3d5b s SER 56 CO 0.11 -2.50 -0.81 1.07 0.41 0.00 0.00 173.24 171.52 3d5b n THR 57 N 7.41 0.00 0.00 1.44 5.66 -1.26 -4.61 114.28 122.91 3d5b n THR 57 Ca 0.26 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 3d5b n THR 57 Cb 0.51 -0.17 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 3d5b n THR 57 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 3d5b n THR 58 N -3.31 0.04 0.48 1.09 5.66 -1.26 -2.87 114.28 114.12 3d5b n THR 58 Ca -0.00 0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 3d5b n THR 58 Cb 0.64 -1.01 0.00 0.00 -1.55 0.00 0.00 70.33 68.41 3d5b n THR 58 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 3d5b n LEU 59 N -0.88 1.67 0.00 1.09 7.94 -1.26 -3.77 117.00 121.80 3d5b n LEU 59 Ca 0.00 -0.82 0.13 0.00 -1.11 0.00 0.00 56.01 54.21 3d5b n LEU 59 Cb 0.00 -0.29 0.46 0.00 0.53 0.00 0.00 43.42 44.13 3d5b n LEU 59 CO 0.00 0.28 0.75 0.23 -1.11 0.00 0.00 177.39 177.54 3d5b n MET 60 N 0.80 0.02 -0.26 1.96 2.81 -1.14 -4.89 117.12 116.42 3d5b n MET 60 Ca 0.00 0.01 -0.25 0.00 -1.81 0.00 0.00 57.70 55.65 3d5b n MET 60 Cb 0.26 -1.51 0.25 0.00 -0.71 0.00 0.00 33.22 31.51 3d5b n MET 60 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3d5b n ARG 61 N -1.54 -3.99 -3.78 0.03 3.00 -1.25 -5.05 116.66 104.09 3d5b n ARG 61 Ca 0.06 -1.21 -0.13 0.00 -0.01 0.00 0.00 57.85 56.56 3d5b n ARG 61 Cb 0.34 -1.68 -0.13 0.00 0.00 0.00 0.00 32.46 30.99 3d5b n ARG 61 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 3d5b s LEU 62 N 0.00 0.97 -0.50 0.55 -0.00 -1.26 -5.12 118.68 113.32 3d5b s LEU 62 Ca 0.56 0.34 -0.28 0.00 -0.00 0.00 0.00 54.13 54.75 3d5b s LEU 62 Cb -0.10 0.50 0.00 0.00 -0.00 0.00 0.00 46.19 46.59 3d5b s LEU 62 CO 0.47 -0.11 1.56 -2.16 -0.00 0.00 0.00 176.35 176.11 3d5b s PRO 63 N 0.71 3.24 0.07 1.48 0.04 -1.26 -4.82 135.00 134.46 3d5b s PRO 63 Ca -0.05 0.75 0.13 0.00 0.04 0.00 0.00 61.00 61.87 3d5b s PRO 63 Cb -0.07 -4.16 -0.15 0.00 0.04 0.00 0.00 34.50 30.15 3d5b s PRO 63 CO -0.04 -1.99 0.94 -0.22 0.04 0.00 0.00 177.00 175.74 3d5b h LYS 64 N 11.99 0.00 -5.26 4.56 3.64 -2.06 -3.45 116.57 125.98 3d5b h LYS 64 Ca -0.28 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 58.87 3d5b h LYS 64 Cb 1.12 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.90 3d5b h LYS 64 CO 1.14 0.52 1.01 0.54 -2.27 0.00 0.00 179.45 180.39 3d5b n ARG 65 N -3.08 0.43 0.00 1.90 3.00 -1.26 -4.91 116.66 112.74 3d5b n ARG 65 Ca -0.09 -0.40 0.00 0.00 -0.01 0.00 0.00 57.85 57.36 3d5b n ARG 65 Cb 0.92 -2.70 0.00 0.00 0.00 0.00 0.00 32.46 30.67 3d5b n ARG 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3d5b n GLY 66 N 6.29 -2.35 1.86 -0.13 0.00 -1.26 -3.82 105.19 105.78 3d5b n GLY 66 Ca 0.53 -1.44 -0.07 0.00 0.00 0.00 0.00 46.02 45.04 3d5b n GLY 66 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3d5b n MET 67 N -1.08 -1.63 -0.45 1.61 2.81 -1.26 -4.71 117.12 112.40 3d5b n MET 67 Ca 0.00 0.40 -0.00 0.00 -1.81 0.00 0.00 57.70 56.29 3d5b n MET 67 Cb 0.00 -4.68 -0.00 0.00 -0.71 0.00 0.00 33.22 27.83 3d5b n MET 67 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3d5b n GLN 68 N -1.89 0.91 0.00 0.03 10.64 -1.25 -4.85 117.38 120.97 3d5b n GLN 68 Ca -0.08 -0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.08 3d5b n GLN 68 Cb 0.35 -1.06 0.00 0.00 -0.86 0.00 0.00 30.24 28.67 3d5b n GLN 68 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3d5b n GLY 69 N 1.56 0.92 0.00 2.61 0.00 -1.26 -5.15 105.19 103.87 3d5b n GLY 69 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.89 3d5b n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3d5b n GLN 70 N -1.37 0.00 0.28 1.61 -0.06 -1.26 -5.01 117.38 111.56 3d5b n GLN 70 Ca 0.00 0.00 -0.16 0.00 -2.00 0.00 0.00 57.00 54.84 3d5b n GLN 70 Cb 0.00 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.10 3d5b n GLN 70 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3d5b h VAL 71 N 2.49 0.53 -0.17 1.69 2.07 -2.04 -2.42 116.25 118.40 3d5b h VAL 71 Ca 0.00 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3d5b h VAL 71 Cb 0.00 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3d5b h VAL 71 CO 0.00 0.00 0.21 -0.65 0.02 0.00 0.00 177.57 177.16 3d5b h PRO 72 N -0.66 0.00 0.00 1.57 0.11 -2.08 -3.47 132.00 127.47 3d5b h PRO 72 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3d5b h PRO 72 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3d5b h PRO 72 CO 0.11 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.31 3d5b n GLY 73 N -1.37 0.78 3.43 -0.55 0.00 -0.91 -4.99 105.19 101.58 3d5b n GLY 73 Ca 0.01 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 3d5b n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3d5b s GLU 74 N 0.00 2.36 0.59 1.61 2.56 -1.26 -4.46 118.70 120.09 3d5b s GLU 74 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 54.97 54.07 3d5b s GLU 74 Cb 0.00 -2.27 -0.05 0.00 2.00 0.00 0.00 34.13 33.81 3d5b s GLU 74 CO 0.00 0.60 1.00 0.96 -0.56 0.00 0.00 175.26 177.26 3d5b s ILE 75 N -0.72 4.69 -0.56 -3.70 -5.25 -1.26 -5.03 121.20 109.37 3d5b s ILE 75 Ca 0.11 0.90 -0.12 0.00 -0.99 0.00 0.00 60.65 60.55 3d5b s ILE 75 Cb -0.10 -3.84 0.14 0.00 2.95 0.00 0.00 42.46 41.61 3d5b s ILE 75 CO 0.01 -1.04 0.47 -0.75 -1.79 0.00 0.00 174.94 171.84 3d5b s LYS 76 N -4.93 2.83 0.02 0.37 2.47 -1.26 -5.05 119.74 114.19 3d5b s LYS 76 Ca 0.55 -1.89 0.09 0.00 -1.56 0.00 0.00 55.97 53.16 3d5b s LYS 76 Cb -0.11 -4.12 -0.03 0.00 -1.46 0.00 0.00 37.83 32.11 3d5b s LYS 76 CO 0.49 -1.26 -0.26 -0.98 0.16 0.00 0.00 175.35 173.50 3d5b s ARG 77 N 1.20 1.93 -0.29 4.03 1.70 -1.26 -5.08 118.95 121.18 3d5b s ARG 77 Ca 0.07 -1.04 -0.34 0.00 -0.47 0.00 0.00 55.73 53.96 3d5b s ARG 77 Cb -0.25 -2.01 -0.10 0.00 -0.57 0.00 0.00 34.95 32.02 3d5b s ARG 77 CO -0.01 0.53 2.16 -0.35 -1.08 0.00 0.00 175.30 176.56 3d5b n PRO 78 N 2.01 1.38 -2.46 3.89 -0.04 -1.26 -4.93 135.00 133.59 3d5b n PRO 78 Ca -0.17 0.40 -0.42 0.00 -0.04 0.00 0.00 63.50 63.27 3d5b n PRO 78 Cb 0.52 -2.65 -0.03 0.00 -0.04 0.00 0.00 33.50 31.29 3d5b n PRO 78 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3d5b s ARG 79 N 6.00 4.42 -0.35 0.54 0.52 -1.26 -4.91 118.95 123.92 3d5b s ARG 79 Ca 1.06 1.71 -0.08 0.00 -0.52 0.00 0.00 55.73 57.90 3d5b s ARG 79 Cb -0.72 -3.43 0.03 0.00 0.52 0.00 0.00 34.95 31.35 3d5b s ARG 79 CO 0.46 -0.30 0.14 0.71 0.02 0.00 0.00 175.30 176.33 3d5b s TYR 80 N 1.43 3.24 -0.53 -0.53 2.02 -1.26 -0.45 117.35 121.26 3d5b s TYR 80 Ca 0.57 -1.17 -0.25 0.00 -0.37 0.00 0.00 57.07 55.85 3d5b s TYR 80 Cb -0.27 -2.34 0.04 0.00 -0.40 0.00 0.00 41.96 38.99 3d5b s TYR 80 CO 0.27 -0.67 0.95 -1.14 -1.57 0.00 0.00 175.55 173.38 3d5b s GLN 81 N 1.48 3.38 -0.14 -0.62 2.00 -0.63 -4.96 119.66 120.17 3d5b s GLN 81 Ca 0.00 -0.15 -0.29 0.00 -2.00 0.00 0.00 55.36 52.92 3d5b s GLN 81 Cb -0.19 -4.02 -0.03 0.00 0.80 0.00 0.00 33.01 29.57 3d5b s GLN 81 CO 0.04 -1.43 1.43 0.20 -0.50 0.00 0.00 175.29 175.03 3d5b s GLY 82 N 2.72 1.56 -0.08 2.59 0.00 -1.26 -2.49 107.32 110.34 3d5b s GLY 82 Ca 0.32 0.61 0.04 0.00 0.00 0.00 0.00 44.72 45.69 3d5b s GLY 82 CO 0.21 2.74 -0.20 0.54 0.00 0.00 0.00 173.10 176.39 3d5b s VAL 83 N 3.88 2.49 0.07 1.40 0.11 -0.18 -4.97 120.40 123.20 3d5b s VAL 83 Ca 0.63 -0.89 -0.23 0.00 -2.93 0.00 0.00 61.98 58.55 3d5b s VAL 83 Cb -0.26 -1.97 -0.06 0.00 -1.53 0.00 0.00 36.38 32.56 3d5b s VAL 83 CO 0.21 0.56 0.70 0.21 -3.33 0.00 0.00 175.10 173.46 3d5b s ASN 84 N -0.01 7.19 0.03 3.54 3.84 -1.25 -1.28 114.94 126.99 3d5b s ASN 84 Ca -0.06 1.41 0.18 0.00 0.21 0.00 0.00 52.86 54.60 3d5b s ASN 84 Cb -0.15 -2.44 0.74 0.00 -0.55 0.00 0.00 41.25 38.86 3d5b s ASN 84 CO 0.05 0.12 1.56 0.00 -2.79 0.00 0.00 177.10 176.04 3d5b n LEU 85 N 2.31 0.08 -0.11 3.21 -0.00 -0.24 -2.40 117.00 119.86 3d5b n LEU 85 Ca -0.05 0.52 -0.13 0.00 -0.00 0.00 0.00 56.01 56.35 3d5b n LEU 85 Cb 0.50 -0.50 -0.03 0.00 -0.00 0.00 0.00 43.42 43.38 3d5b n LEU 85 CO 0.45 -0.24 0.62 0.07 -0.00 0.00 0.00 177.39 178.29 3d5b h LYS 86 N 0.00 0.73 0.00 1.47 2.10 -1.81 -0.72 116.57 118.34 3d5b h LYS 86 Ca 0.00 -0.35 -0.10 0.00 -2.00 0.00 0.00 60.65 58.19 3d5b h LYS 86 Cb 0.30 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.61 3d5b h LYS 86 CO 0.00 0.97 -0.49 -0.44 -2.00 0.00 0.00 179.45 177.48 3d5b h ASP 87 N 0.50 0.00 -0.49 7.07 3.32 -1.85 -3.16 116.42 121.81 3d5b h ASP 87 Ca 0.06 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 3d5b h ASP 87 Cb 0.79 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 3d5b h ASP 87 CO 0.06 0.49 -0.11 0.25 -1.72 0.00 0.00 179.24 178.21 3d5b h LEU 88 N 0.00 0.94 -0.66 1.55 5.85 -1.23 -2.97 115.31 118.79 3d5b h LEU 88 Ca -0.00 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.31 3d5b h LEU 88 Cb 1.26 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3d5b h LEU 88 CO 0.06 1.08 -0.22 0.00 -0.34 0.00 0.00 178.44 179.03 3d5b h ALA 89 N 0.89 0.93 -0.79 1.25 0.00 -1.18 -3.28 119.26 117.08 3d5b h ALA 89 Ca 0.13 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.97 3d5b h ALA 89 Cb 0.66 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.28 3d5b h ALA 89 CO 0.05 0.27 -0.35 -0.09 0.00 0.00 0.00 179.25 179.12 3d5b h ARG 90 N 0.00 -0.08 -5.90 0.00 2.43 -1.48 -3.37 114.38 105.97 3d5b h ARG 90 Ca -0.00 0.01 -0.68 0.00 -0.81 0.00 0.00 59.98 58.50 3d5b h ARG 90 Cb 0.92 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 30.36 3d5b h ARG 90 CO 0.03 -0.05 -0.59 -0.59 -1.51 0.00 0.00 179.97 177.26 3d5b s PHE 91 N -5.99 3.26 0.08 2.20 -0.71 -1.24 -5.12 117.98 110.46 3d5b s PHE 91 Ca -0.14 0.27 0.09 0.00 -1.04 0.00 0.00 56.93 56.10 3d5b s PHE 91 Cb 0.18 -1.82 -0.03 0.00 -1.21 0.00 0.00 43.02 40.14 3d5b s PHE 91 CO 0.71 0.53 -0.22 -2.00 -1.34 0.00 0.00 175.22 172.90 3d5b s GLU 92 N -0.92 1.81 0.00 1.99 -6.30 -1.26 -4.93 118.70 109.09 3d5b s GLU 92 Ca 0.14 -1.13 0.00 0.00 -2.50 0.00 0.00 54.97 51.48 3d5b s GLU 92 Cb -0.11 -2.07 0.00 0.00 0.00 0.00 0.00 34.13 31.95 3d5b s GLU 92 CO 0.03 0.50 0.00 0.41 0.02 0.00 0.00 175.26 176.22 3d5b n GLY 93 N 1.30 -0.29 2.66 -1.50 0.00 -1.26 -5.03 105.19 101.07 3d5b n GLY 93 Ca -0.17 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 3d5b n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3d5b s GLU 94 N 0.00 0.91 -0.41 1.61 2.12 -1.26 -3.82 118.70 117.84 3d5b s GLU 94 Ca 0.00 -1.51 -0.29 0.00 0.36 0.00 0.00 54.97 53.53 3d5b s GLU 94 Cb 0.00 -1.96 0.02 0.00 0.26 0.00 0.00 34.13 32.46 3d5b s GLU 94 CO 0.00 -1.11 1.09 0.14 -0.54 0.00 0.00 175.26 174.84 3d5b s VAL 95 N 0.97 4.35 0.22 3.70 -7.23 -0.64 -4.90 120.40 116.87 3d5b s VAL 95 Ca 0.15 1.37 0.05 0.00 -1.81 0.00 0.00 61.98 61.74 3d5b s VAL 95 Cb -0.22 -4.51 -0.05 0.00 0.56 0.00 0.00 36.38 32.16 3d5b s VAL 95 CO -0.09 -0.79 -0.06 0.42 -0.31 0.00 0.00 175.10 174.27 3d5b s THR 96 N 4.07 1.32 0.58 5.32 -4.23 -1.26 -0.38 115.64 121.07 3d5b s THR 96 Ca 0.46 -2.09 0.30 0.00 -1.18 0.00 0.00 61.69 59.17 3d5b s THR 96 Cb -0.09 -2.20 0.42 0.00 1.34 0.00 0.00 72.50 71.96 3d5b s THR 96 CO 0.25 -0.46 1.82 -0.65 -0.54 0.00 0.00 174.62 175.04 3d5b h PRO 97 N 2.51 0.00 -0.29 3.99 0.11 -1.96 0.68 132.00 137.05 3d5b h PRO 97 Ca -0.38 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 3d5b h PRO 97 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3d5b h PRO 97 CO 0.64 0.00 -0.00 1.49 -0.21 0.00 0.00 178.00 179.92 3d5b h GLU 98 N 0.00 0.51 -0.22 1.05 4.57 -1.95 -2.05 114.58 116.49 3d5b h GLU 98 Ca 0.32 -0.16 -0.13 0.00 -1.18 0.00 0.00 59.36 58.20 3d5b h GLU 98 Cb 1.57 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.12 3d5b h GLU 98 CO -0.00 0.66 -0.39 -0.07 -1.18 0.00 0.00 179.01 178.03 3d5b h LEU 99 N 0.30 0.71 -1.12 1.64 4.07 -1.24 -2.38 115.31 117.29 3d5b h LEU 99 Ca 0.08 -0.54 0.00 0.00 0.08 0.00 0.00 57.88 57.50 3d5b h LEU 99 Cb 0.43 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.97 3d5b h LEU 99 CO 0.02 1.11 0.00 -0.07 -1.08 0.00 0.00 178.44 178.42 3d5b h LEU 100 N 0.34 0.00 0.10 1.67 -0.00 -1.41 -2.35 115.31 113.66 3d5b h LEU 100 Ca 0.01 0.00 -0.34 0.00 -0.00 0.00 0.00 57.88 57.55 3d5b h LEU 100 Cb 0.98 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.62 3d5b h LEU 100 CO 0.09 0.00 -1.87 1.62 -0.00 0.00 0.00 178.44 178.28 3d5b h VAL 101 N 0.00 0.74 -0.47 1.22 3.04 -1.36 -2.46 116.25 116.96 3d5b h VAL 101 Ca 0.00 -2.48 -0.10 0.00 -1.01 0.00 0.00 66.70 63.11 3d5b h VAL 101 Cb 0.58 2.52 -0.02 0.00 -2.01 0.00 0.00 31.29 32.36 3d5b h VAL 101 CO 0.00 0.79 -0.09 -0.09 -1.01 0.00 0.00 177.57 177.17 3d5b h ARG 102 N 0.06 0.85 -0.93 4.17 2.43 -1.31 -3.41 114.38 116.24 3d5b h ARG 102 Ca -0.37 -0.28 0.08 0.00 -0.81 0.00 0.00 59.98 58.60 3d5b h ARG 102 Cb 2.03 -0.07 -0.21 0.00 -0.42 0.00 0.00 29.97 31.30 3d5b h ARG 102 CO 0.10 0.91 -0.28 0.00 -1.51 0.00 0.00 179.97 179.19 3d5b s ALA 103 N -4.84 -2.46 0.00 2.80 0.00 -0.90 -5.09 121.76 111.28 3d5b s ALA 103 Ca -0.10 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.37 3d5b s ALA 103 Cb 0.14 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.90 3d5b s ALA 103 CO 0.83 -1.56 0.00 0.41 0.00 0.00 0.00 175.76 175.45 3d5b n GLY 104 N 5.42 -1.05 2.64 0.00 0.00 -1.21 -4.49 105.19 106.50 3d5b n GLY 104 Ca 0.01 0.46 -0.10 0.00 0.00 0.00 0.00 46.02 46.40 3d5b n GLY 104 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3d5b n LEU 105 N 0.00 -1.76 0.00 0.99 -0.00 -0.94 -4.97 117.00 110.32 3d5b n LEU 105 Ca 0.00 -3.88 0.00 0.00 -0.00 0.00 0.00 56.01 52.13 3d5b n LEU 105 Cb 0.00 0.81 0.00 0.00 -0.00 0.00 0.00 43.42 44.23 3d5b n LEU 105 CO 0.00 2.09 -0.34 -0.11 -0.00 0.00 0.00 177.39 179.02 3d5b n LEU 106 N 0.25 0.53 -3.42 1.47 -0.00 -1.15 -4.90 117.00 109.78 3d5b n LEU 106 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.96 3d5b n LEU 106 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.13 3d5b n LEU 106 CO 0.06 -0.03 0.05 0.29 -0.00 0.00 0.00 177.39 177.76 3d5b n LYS 107 N -2.68 -1.45 -1.74 1.96 4.01 -1.26 -1.68 118.16 115.32 3d5b n LYS 107 Ca 0.00 1.15 -0.09 0.00 -0.51 0.00 0.00 58.31 58.86 3d5b n LYS 107 Cb 0.34 -4.01 -0.02 0.00 -0.51 0.00 0.00 35.03 30.83 3d5b n LYS 107 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3d5b n LYS 108 N -2.15 -1.71 -0.05 1.97 4.76 -1.26 -4.90 118.16 114.82 3d5b n LYS 108 Ca -0.16 0.47 -0.06 0.00 -2.87 0.00 0.00 58.31 55.69 3d5b n LYS 108 Cb 0.60 -4.80 0.06 0.00 -1.84 0.00 0.00 35.03 29.05 3d5b n LYS 108 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3d5b n GLY 109 N -0.39 -3.54 0.35 0.72 0.00 -0.67 -5.04 105.19 96.62 3d5b n GLY 109 Ca -0.09 -1.16 -0.01 0.00 0.00 0.00 0.00 46.02 44.76 3d5b n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3d5b n TYR 110 N -3.53 0.00 -4.07 1.61 9.36 -1.25 -5.06 117.16 114.23 3d5b n TYR 110 Ca 0.03 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 61.00 3d5b n TYR 110 Cb 0.12 -0.04 -0.05 0.00 -0.63 0.00 0.00 39.34 38.75 3d5b n TYR 110 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3d5b s ARG 111 N -1.18 2.99 -0.07 2.98 3.00 0.40 -5.00 118.95 122.07 3d5b s ARG 111 Ca -0.02 -0.88 0.05 0.00 0.00 0.00 0.00 55.73 54.88 3d5b s ARG 111 Cb 0.00 -2.67 -0.01 0.00 0.00 0.00 0.00 34.95 32.27 3d5b s ARG 111 CO 0.03 0.46 -0.23 -1.17 0.00 0.00 0.00 175.30 174.40 3d5b s LEU 112 N -3.34 2.19 -0.27 2.53 0.20 -1.26 -1.60 118.68 117.13 3d5b s LEU 112 Ca 0.32 -0.47 -0.03 0.00 0.69 0.00 0.00 54.13 54.64 3d5b s LEU 112 Cb -0.10 -1.42 0.09 0.00 -0.43 0.00 0.00 46.19 44.34 3d5b s LEU 112 CO 0.25 0.23 0.10 -0.75 -0.29 0.00 0.00 176.35 175.88 3d5b s LYS 113 N -0.09 0.48 0.24 1.98 2.20 -1.04 -0.37 119.74 123.15 3d5b s LYS 113 Ca -0.05 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 54.56 3d5b s LYS 113 Cb -0.14 -1.71 -0.09 0.00 -1.51 0.00 0.00 37.83 34.37 3d5b s LYS 113 CO 0.04 -0.91 1.00 0.96 -0.36 0.00 0.00 175.35 176.08 3d5b s ILE 114 N 1.86 3.91 -0.30 5.43 -5.25 -0.86 -1.01 121.20 124.98 3d5b s ILE 114 Ca 0.07 1.89 0.00 0.00 -0.99 0.00 0.00 60.65 61.62 3d5b s ILE 114 Cb -0.17 -4.20 0.00 0.00 2.95 0.00 0.00 42.46 41.04 3d5b s ILE 114 CO -0.25 0.44 0.00 0.00 -1.79 0.00 0.00 174.94 173.33 3d5b n LEU 115 N 1.53 0.00 0.00 0.37 -0.00 -0.41 -3.06 117.00 115.43 3d5b n LEU 115 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 3d5b n LEU 115 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 3d5b n LEU 115 CO 0.51 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.51 3d5b n GLY 116 N -0.02 -0.74 1.04 1.47 0.00 -1.26 -1.07 105.19 104.61 3d5b n GLY 116 Ca 0.00 -1.80 -0.06 0.00 0.00 0.00 0.00 46.02 44.16 3d5b n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d5b n GLU 117 N 0.00 0.73 0.00 1.61 1.02 -1.26 -4.81 120.64 117.93 3d5b n GLU 117 Ca 0.00 -0.80 0.00 0.00 -0.02 0.00 0.00 57.16 56.34 3d5b n GLU 117 Cb 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 31.44 31.32 3d5b n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d5b n GLY 118 N 3.05 -3.29 2.85 0.62 0.00 -1.26 -2.95 105.19 104.21 3d5b n GLY 118 Ca 0.04 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 3d5b n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d5b s GLU 119 N -0.59 1.28 -0.12 1.61 0.41 -1.26 -4.91 118.70 115.13 3d5b s GLU 119 Ca 0.00 -1.79 -0.35 0.00 -0.41 0.00 0.00 54.97 52.41 3d5b s GLU 119 Cb 0.00 -2.64 -0.13 0.00 -1.78 0.00 0.00 34.13 29.58 3d5b s GLU 119 CO 0.00 -1.04 1.83 0.00 -0.49 0.00 0.00 175.26 175.57 3d5b n ALA 120 N 4.06 0.66 -1.35 5.21 0.00 -1.26 -4.89 120.51 122.93 3d5b n ALA 120 Ca 0.04 0.31 -0.31 0.00 0.00 0.00 0.00 53.44 53.48 3d5b n ALA 120 Cb 0.38 -2.43 0.09 0.00 0.00 0.00 0.00 19.45 17.50 3d5b n ALA 120 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3d5b s LYS 121 N 3.79 2.16 -0.56 0.00 3.01 -1.26 -4.78 119.74 122.10 3d5b s LYS 121 Ca 0.93 0.97 -0.27 0.00 -1.01 0.00 0.00 55.97 56.59 3d5b s LYS 121 Cb -0.77 -1.90 -0.01 0.00 -1.01 0.00 0.00 37.83 34.14 3d5b s LYS 121 CO 0.54 -1.66 1.65 -1.25 0.51 0.00 0.00 175.35 175.15 3d5b s PRO 122 N -4.98 3.02 0.12 -1.68 0.04 -1.24 -4.83 135.00 125.46 3d5b s PRO 122 Ca 0.61 0.63 -0.26 0.00 0.04 0.00 0.00 61.00 62.02 3d5b s PRO 122 Cb -0.16 -4.25 0.07 0.00 0.04 0.00 0.00 34.50 30.20 3d5b s PRO 122 CO 0.56 -2.27 0.98 -0.48 0.04 0.00 0.00 177.00 175.83 3d5b s LEU 123 N 7.44 -0.18 -0.23 -3.56 2.34 -1.25 -4.82 118.68 118.41 3d5b s LEU 123 Ca 0.62 -0.34 -0.29 0.00 0.06 0.00 0.00 54.13 54.18 3d5b s LEU 123 Cb -0.13 2.08 0.00 0.00 -0.56 0.00 0.00 46.19 47.58 3d5b s LEU 123 CO 0.24 -0.82 1.12 -0.54 -1.06 0.00 0.00 176.35 175.29 3d5b s LYS 124 N -3.19 4.21 -0.75 1.48 1.02 -1.25 -3.50 119.74 117.75 3d5b s LYS 124 Ca 0.12 1.39 -0.06 0.00 0.02 0.00 0.00 55.97 57.44 3d5b s LYS 124 Cb -0.01 -3.70 0.19 0.00 -0.52 0.00 0.00 37.83 33.79 3d5b s LYS 124 CO 0.01 -0.72 0.62 0.54 -0.92 0.00 0.00 175.35 174.88 3d5b s VAL 125 N 3.41 4.40 -0.90 3.17 0.11 -1.25 -1.62 120.40 127.73 3d5b s VAL 125 Ca 0.48 -3.05 -0.24 0.00 -2.93 0.00 0.00 61.98 56.23 3d5b s VAL 125 Cb -0.16 -3.78 0.02 0.00 -1.53 0.00 0.00 36.38 30.92 3d5b s VAL 125 CO 0.10 -0.97 1.56 -0.69 -3.33 0.00 0.00 175.10 171.78 3d5b s VAL 126 N -0.32 3.72 0.39 2.04 1.01 0.49 -3.44 120.40 124.29 3d5b s VAL 126 Ca 0.20 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.91 3d5b s VAL 126 Cb -0.15 -4.69 -0.07 0.00 0.00 0.00 0.00 36.38 31.46 3d5b s VAL 126 CO -0.07 -1.61 -0.02 0.00 0.00 0.00 0.00 175.10 173.41 3d5b s ALA 127 N 6.64 3.12 -0.21 5.51 0.00 -0.61 -3.81 121.76 132.41 3d5b s ALA 127 Ca 0.51 -2.22 0.22 0.00 0.00 0.00 0.00 51.96 50.48 3d5b s ALA 127 Cb -0.04 0.05 -0.11 0.00 0.00 0.00 0.00 23.12 23.02 3d5b s ALA 127 CO -0.00 -0.05 0.84 0.72 0.00 0.00 0.00 175.76 177.27 3d5b n HIS 128 N -0.93 0.55 -3.74 0.00 8.25 0.07 -1.71 115.22 117.71 3d5b n HIS 128 Ca -0.05 0.16 -0.13 0.00 -0.26 0.00 0.00 57.72 57.44 3d5b n HIS 128 Cb 0.66 -0.74 -0.10 0.00 1.12 0.00 0.00 29.99 30.93 3d5b n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3d5b s ALA 129 N -3.40 -0.93 -0.04 -1.41 0.00 0.50 -4.45 121.76 112.03 3d5b s ALA 129 Ca -0.03 0.87 0.03 0.00 0.00 0.00 0.00 51.96 52.83 3d5b s ALA 129 Cb 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.84 3d5b s ALA 129 CO 0.83 -0.21 -0.12 -0.06 0.00 0.00 0.00 175.76 176.21 3d5b s PHE 130 N -0.31 1.23 0.54 0.00 0.08 -1.26 -2.02 117.98 116.24 3d5b s PHE 130 Ca -0.04 -0.34 -0.18 0.00 0.12 0.00 0.00 56.93 56.48 3d5b s PHE 130 Cb -0.03 -0.86 -0.06 0.00 -0.57 0.00 0.00 43.02 41.49 3d5b s PHE 130 CO 0.02 -0.14 1.04 0.45 -0.10 0.00 0.00 175.22 176.49 3d5b s SER 131 N 0.24 6.11 0.27 1.36 0.15 -1.17 -4.87 113.70 115.77 3d5b s SER 131 Ca -0.05 1.84 -0.05 0.00 0.70 0.00 0.00 55.95 58.40 3d5b s SER 131 Cb -0.11 -2.54 0.33 0.00 -1.71 0.00 0.00 66.02 61.99 3d5b s SER 131 CO 0.01 -0.94 1.94 0.11 1.20 0.00 0.00 173.24 175.56 3d5b h LYS 132 N 0.98 1.24 -0.05 5.44 6.56 -1.99 0.25 116.57 129.01 3d5b h LYS 132 Ca -0.48 -0.07 -0.19 0.00 -1.06 0.00 0.00 60.65 58.85 3d5b h LYS 132 Cb 1.22 -0.28 -0.01 0.00 -0.57 0.00 0.00 32.23 32.59 3d5b h LYS 132 CO 0.58 0.82 -0.77 1.03 -2.06 0.00 0.00 179.45 179.06 3d5b h SER 133 N 1.28 0.43 0.77 0.86 0.87 -1.98 -3.18 113.55 112.60 3d5b h SER 133 Ca 0.35 -0.30 -0.06 0.00 -1.23 0.00 0.00 61.79 60.55 3d5b h SER 133 Cb -0.14 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 3d5b h SER 133 CO -0.08 1.04 -0.30 0.00 -0.53 0.00 0.00 176.83 176.97 3d5b h ALA 134 N 0.94 1.07 0.00 6.23 0.00 -1.58 -2.33 119.26 123.60 3d5b h ALA 134 Ca -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3d5b h ALA 134 Cb 1.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3d5b h ALA 134 CO 0.13 0.37 0.00 -0.11 0.00 0.00 0.00 179.25 179.64 3d5b n LEU 135 N -3.54 0.54 -0.06 0.00 -0.00 0.79 -3.68 117.00 111.05 3d5b n LEU 135 Ca -0.00 0.58 -0.05 0.00 -0.00 0.00 0.00 56.01 56.54 3d5b n LEU 135 Cb 0.44 -0.44 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 3d5b n LEU 135 CO 0.35 -0.25 0.13 -0.33 -0.00 0.00 0.00 177.39 177.29 3d5b h GLU 136 N 0.00 -0.00 -0.41 1.96 4.39 -1.48 -2.99 114.58 116.05 3d5b h GLU 136 Ca 0.00 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.78 3d5b h GLU 136 Cb 0.55 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.12 3d5b h GLU 136 CO 0.00 0.33 -0.06 0.87 -1.16 0.00 0.00 179.01 178.99 3d5b h LYS 137 N -1.00 0.04 0.00 2.33 1.79 -1.65 -0.90 116.57 117.18 3d5b h LYS 137 Ca -0.00 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 3d5b h LYS 137 Cb 0.33 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.97 3d5b h LYS 137 CO 0.00 0.02 -0.05 1.37 -1.08 0.00 0.00 179.45 179.72 3d5b h LEU 138 N 0.04 0.00 0.00 2.94 8.10 -1.74 -2.11 115.31 122.54 3d5b h LEU 138 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.19 3d5b h LEU 138 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.52 3d5b h LEU 138 CO -0.39 0.05 -0.19 1.17 -4.11 0.00 0.00 178.44 174.96 3d5b n LYS 139 N -3.13 0.04 0.00 0.17 4.81 -0.55 -1.81 118.16 117.69 3d5b n LYS 139 Ca 0.02 0.03 0.14 0.00 -0.87 0.00 0.00 58.31 57.62 3d5b n LYS 139 Cb 0.42 -1.54 0.49 0.00 0.02 0.00 0.00 35.03 34.42 3d5b n LYS 139 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3d5b n ALA 140 N -1.55 2.87 0.00 3.14 0.00 -0.45 -4.67 120.51 119.85 3d5b n ALA 140 Ca 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3d5b n ALA 140 Cb 0.35 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3d5b n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d5b n ALA 141 N -0.56 0.00 0.00 0.00 0.00 -1.11 -5.09 120.51 113.75 3d5b n ALA 141 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3d5b n ALA 141 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3d5b n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d5b n GLY 142 N 0.00 0.87 3.47 0.00 0.00 -0.75 -3.62 105.19 105.16 3d5b n GLY 142 Ca 0.00 -1.86 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 3d5b n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d5b s GLY 143 N 0.00 1.92 -0.77 -0.02 0.00 -1.23 -4.65 107.32 102.57 3d5b s GLY 143 Ca 0.00 -1.93 0.03 0.00 0.00 0.00 0.00 44.72 42.82 3d5b s GLY 143 CO 0.00 -1.93 0.66 -1.84 0.00 0.00 0.00 173.10 169.98 3d5b n GLU 144 N -0.64 2.28 -2.15 2.90 0.28 -1.26 -3.76 120.64 118.29 3d5b n GLU 144 Ca -0.05 -4.52 -0.43 0.00 -0.16 0.00 0.00 57.16 52.00 3d5b n GLU 144 Cb 0.62 -2.33 -0.02 0.00 1.43 0.00 0.00 31.44 31.13 3d5b n GLU 144 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 3d5b s PRO 145 N -1.64 3.40 0.54 3.44 0.02 -1.22 -5.00 135.00 134.54 3d5b s PRO 145 Ca 0.28 1.18 -0.09 0.00 0.02 0.00 0.00 61.00 62.39 3d5b s PRO 145 Cb -0.02 -4.13 0.13 0.00 0.02 0.00 0.00 34.50 30.50 3d5b s PRO 145 CO -0.13 -1.77 0.56 1.55 -0.33 0.00 0.00 177.00 176.88 3d5b n VAL 146 N 7.27 0.00 -0.36 3.83 3.14 -1.26 -1.58 118.33 129.37 3d5b n VAL 146 Ca 0.20 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 3d5b n VAL 146 Cb 0.47 -1.36 0.00 0.00 -1.06 0.00 0.00 33.84 31.89 3d5b n VAL 146 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3d5b n LEU 147 N 0.00 0.00 0.00 6.55 -0.00 -0.69 -4.38 117.00 118.48 3d5b n LEU 147 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 3d5b n LEU 147 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 3d5b n LEU 147 CO 0.20 -0.19 0.00 0.00 -0.00 0.00 0.00 177.39 177.40 3d5b n LEU 148 N 0.00 0.00 0.00 1.47 -0.00 -1.26 -5.03 117.00 112.18 3d5b n LEU 148 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3d5b n LEU 148 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3d5b n LEU 148 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.39 178.60 3d5b n GLU 149 N 0.00 0.00 0.00 1.47 4.07 -1.26 -5.18 120.64 119.74 3d5b n GLU 149 Ca 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.19 3d5b n GLU 149 Cb 0.00 0.00 0.54 0.00 -0.06 0.00 0.00 31.44 31.92 3d5b n GLU 149 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07