#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smb h ALA 5 N 0.00 0.54 -0.32 7.33 0.00 -2.05 -1.99 119.26 122.76 1smb h ALA 5 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1smb h ALA 5 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1smb h ALA 5 CO 0.00 0.21 0.16 0.77 0.00 0.00 0.00 179.25 180.38 1smb h SER 6 N 0.53 0.42 -0.53 0.00 0.02 -1.99 -1.50 113.55 110.50 1smb h SER 6 Ca 0.13 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1smb h SER 6 Cb 0.29 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1smb h SER 6 CO -0.00 0.43 0.22 0.11 -1.14 0.00 0.00 176.83 176.44 1smb h LYS 7 N 0.39 0.78 -0.50 3.45 1.57 -1.99 -1.47 116.57 118.80 1smb h LYS 7 Ca 0.11 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1smb h LYS 7 Cb 0.11 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1smb h LYS 7 CO -0.01 0.68 0.29 0.37 -0.57 0.00 0.00 179.45 180.20 1smb h GLN 8 N 0.71 0.69 -0.28 3.15 4.15 -1.24 -1.03 115.11 121.27 1smb h GLN 8 Ca 0.18 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 1smb h GLN 8 Cb 0.18 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 1smb h GLN 8 CO -0.02 0.53 0.15 0.35 -1.93 0.00 0.00 178.83 177.91 1smb h PHE 9 N 0.67 0.38 -0.17 3.99 3.57 -1.07 -0.86 116.94 123.44 1smb h PHE 9 Ca 0.18 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.70 1smb h PHE 9 Cb 0.02 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 1smb h PHE 9 CO -0.02 0.32 -0.03 0.45 -2.23 0.00 0.00 178.31 176.79 1smb h HIS 10 N 0.33 -0.08 -0.86 0.41 3.86 -1.03 -1.48 115.15 116.31 1smb h HIS 10 Ca 0.10 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1smb h HIS 10 Cb 0.06 0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.55 1smb h HIS 10 CO -0.03 -0.06 0.49 -0.91 0.86 0.00 0.00 177.93 178.27 1smb h ASN 11 N 0.01 1.05 -0.46 2.45 -0.26 -1.00 -1.59 115.58 115.78 1smb h ASN 11 Ca 0.08 -0.08 -0.14 0.00 -0.56 0.00 0.00 56.30 55.61 1smb h ASN 11 Cb 0.12 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 1smb h ASN 11 CO -0.17 0.82 -0.25 -0.33 -1.06 0.00 0.00 177.43 176.44 1smb h GLU 12 N 1.19 0.99 -0.42 0.81 4.39 -0.80 -0.43 114.58 120.30 1smb h GLU 12 Ca 0.30 -0.44 -0.05 0.00 0.34 0.00 0.00 59.36 59.51 1smb h GLU 12 Cb -0.01 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1smb h GLU 12 CO -0.05 1.12 0.07 0.28 -1.16 0.00 0.00 179.01 179.26 1smb h VAL 13 N 0.83 1.24 -0.25 3.13 2.07 -1.08 -1.87 116.25 120.33 1smb h VAL 13 Ca 0.10 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1smb h VAL 13 Cb 0.84 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1smb h VAL 13 CO 0.07 0.31 0.10 0.25 0.02 0.00 0.00 177.57 178.32 1smb h LEU 14 N 0.56 0.34 -0.31 2.57 5.85 -1.21 -1.35 115.31 121.75 1smb h LEU 14 Ca 0.13 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1smb h LEU 14 Cb 0.38 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1smb h LEU 14 CO 0.01 0.41 0.08 0.50 -0.34 0.00 0.00 178.44 179.09 1smb h LYS 15 N 0.25 0.19 -0.46 1.25 3.64 -0.99 -0.42 116.57 120.02 1smb h LYS 15 Ca 0.08 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1smb h LYS 15 Cb 0.17 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1smb h LYS 15 CO -0.01 0.13 0.17 0.00 -2.27 0.00 0.00 179.45 177.47 1smb h ALA 16 N 1.22 0.60 -0.35 5.00 0.00 -1.23 -1.03 119.26 123.48 1smb h ALA 16 Ca 0.14 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1smb h ALA 16 Cb 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1smb h ALA 16 CO -0.17 0.22 0.18 0.45 0.00 0.00 0.00 179.25 179.93 1smb h HIS 17 N 0.61 0.33 -0.03 0.00 3.86 -0.90 -1.83 115.15 117.18 1smb h HIS 17 Ca 0.15 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.28 1smb h HIS 17 Cb 0.21 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1smb h HIS 17 CO 0.01 0.18 -0.43 -0.91 0.86 0.00 0.00 177.93 177.63 1smb h ASN 18 N 0.37 0.08 -0.37 2.45 2.35 -0.86 -0.05 115.58 119.55 1smb h ASN 18 Ca 0.14 -0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 1smb h ASN 18 Cb 0.05 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1smb h ASN 18 CO -0.09 0.50 -0.30 -0.33 -1.65 0.00 0.00 177.43 175.57 1smb h GLU 19 N 0.06 0.90 -0.32 0.81 5.08 -0.92 -1.24 114.58 118.95 1smb h GLU 19 Ca 0.00 -0.42 -0.15 0.00 -1.00 0.00 0.00 59.36 57.79 1smb h GLU 19 Cb 0.80 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1smb h GLU 19 CO 0.06 1.07 -0.41 1.88 -1.00 0.00 0.00 179.01 180.61 1smb h TYR 20 N 0.76 0.95 -0.09 4.33 0.99 -0.98 -2.80 116.97 120.14 1smb h TYR 20 Ca 0.08 -0.29 -0.08 0.00 2.00 0.00 0.00 58.73 60.45 1smb h TYR 20 Cb 0.86 -0.20 -0.01 0.00 1.00 0.00 0.00 36.73 38.38 1smb h TYR 20 CO 0.05 1.07 -0.29 0.00 -0.00 0.00 0.00 178.16 178.99 1smb h ARG 21 N 0.64 0.16 -0.14 4.88 3.08 -0.83 -2.06 114.38 120.11 1smb h ARG 21 Ca 0.05 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1smb h ARG 21 Cb 0.98 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1smb h ARG 21 CO 0.09 0.44 -0.33 0.37 -1.07 0.00 0.00 179.97 179.47 1smb h GLN 22 N 0.14 0.27 0.00 0.04 4.15 -1.05 -1.60 115.11 117.07 1smb h GLN 22 Ca 0.02 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 1smb h GLN 22 Cb 0.60 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.27 1smb h GLN 22 CO 0.04 0.58 -0.07 0.87 -1.93 0.00 0.00 178.83 178.33 1smb h LYS 23 N 0.24 0.00 -0.16 1.69 1.57 -1.11 -2.28 116.57 116.51 1smb h LYS 23 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1smb h LYS 23 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1smb h LYS 23 CO 0.05 0.07 0.00 0.72 -0.57 0.00 0.00 179.45 179.72 1smb n HIS 24 N -3.34 0.19 -2.06 -1.35 8.25 -0.69 -4.44 115.22 111.79 1smb n HIS 24 Ca -0.01 -0.12 -0.13 0.00 -0.26 0.00 0.00 57.72 57.20 1smb n HIS 24 Cb 0.24 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.33 1smb n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1smb n GLY 25 N 1.12 0.17 3.65 -1.41 0.00 -0.69 -4.76 105.19 103.26 1smb n GLY 25 Ca 0.13 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 1smb n GLY 25 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1smb s VAL 26 N -2.61 3.62 0.61 1.61 -7.23 -0.81 -5.03 120.40 110.56 1smb s VAL 26 Ca 0.00 -1.49 -0.19 0.00 -1.81 0.00 0.00 61.98 58.49 1smb s VAL 26 Cb 0.00 -2.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.08 1smb s VAL 26 CO 0.00 -0.12 1.21 -2.65 -0.31 0.00 0.00 175.10 173.22 1smb n PRO 27 N -0.14 1.19 -1.52 4.82 -0.02 -1.26 -4.28 135.00 133.80 1smb n PRO 27 Ca -0.10 0.46 -0.31 0.00 -2.02 0.00 0.00 63.50 61.53 1smb n PRO 27 Cb 0.55 -2.43 0.06 0.00 -0.02 0.00 0.00 33.50 31.67 1smb n PRO 27 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1smb s PRO 28 N -3.04 2.71 0.39 0.52 0.04 -1.26 -4.95 135.00 129.41 1smb s PRO 28 Ca 0.78 1.09 -0.00 0.00 0.04 0.00 0.00 61.00 62.91 1smb s PRO 28 Cb -0.40 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 1smb s PRO 28 CO 0.45 -1.29 0.61 -0.51 0.04 0.00 0.00 177.00 176.30 1smb s LEU 29 N -5.53 3.88 -0.00 -3.56 1.43 -1.26 -4.93 118.68 108.71 1smb s LEU 29 Ca 0.60 0.48 0.07 0.00 -1.03 0.00 0.00 54.13 54.25 1smb s LEU 29 Cb -0.16 -3.36 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 1smb s LEU 29 CO 0.52 -0.43 -0.22 -0.54 0.23 0.00 0.00 176.35 175.92 1smb s LYS 30 N -4.43 1.69 0.00 1.70 1.02 -0.87 -4.99 119.74 113.86 1smb s LYS 30 Ca 0.43 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.59 1smb s LYS 30 Cb -0.10 -1.68 0.00 0.00 -0.52 0.00 0.00 37.83 35.53 1smb s LYS 30 CO 0.38 0.45 0.00 1.28 -0.92 0.00 0.00 175.35 176.54 1smb n LEU 31 N 2.37 0.00 -0.05 3.17 4.77 -1.26 -1.17 117.00 124.83 1smb n LEU 31 Ca -0.16 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.74 1smb n LEU 31 Cb 0.53 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 1smb n LEU 31 CO 0.23 -0.07 -0.83 0.29 -1.33 0.00 0.00 177.39 175.68 1smb n LYS 33 N -0.04 0.23 -0.20 3.23 4.01 -1.26 -4.83 118.16 119.31 1smb n LYS 33 Ca 0.00 0.07 -0.09 0.00 -0.51 0.00 0.00 58.31 57.78 1smb n LYS 33 Cb 0.00 -1.07 0.02 0.00 -0.51 0.00 0.00 35.03 33.47 1smb n LYS 33 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 1smb h ASN 34 N -0.14 0.97 -0.39 4.39 -1.24 -1.99 -1.19 115.58 115.99 1smb h ASN 34 Ca -0.24 -0.31 -0.07 0.00 0.71 0.00 0.00 56.30 56.40 1smb h ASN 34 Cb 1.30 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 40.06 1smb h ASN 34 CO -0.08 1.04 0.02 -0.07 -1.29 0.00 0.00 177.43 177.06 1smb h LEU 35 N 0.88 0.72 -0.43 0.34 3.38 -1.98 -1.18 115.31 117.04 1smb h LEU 35 Ca 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1smb h LEU 35 Cb 0.55 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1smb h LEU 35 CO 0.03 0.78 0.22 0.78 0.09 0.00 0.00 178.44 180.34 1smb h ASN 36 N 0.72 0.55 -0.76 -0.43 2.35 -1.72 -0.37 115.58 115.91 1smb h ASN 36 Ca 0.15 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1smb h ASN 36 Cb 0.40 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 1smb h ASN 36 CO 0.01 0.50 0.35 0.03 -1.65 0.00 0.00 177.43 176.67 1smb h ARG 37 N 0.56 1.10 -0.41 0.81 3.08 -0.81 0.11 114.38 118.83 1smb h ARG 37 Ca 0.15 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1smb h ARG 37 Cb 0.08 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1smb h ARG 37 CO -0.02 0.87 -0.11 0.93 -1.07 0.00 0.00 179.97 180.57 1smb h GLU 38 N 1.07 0.80 -0.58 0.04 5.08 -1.01 -0.55 114.58 119.44 1smb h GLU 38 Ca 0.26 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1smb h GLU 38 Cb 0.14 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1smb h GLU 38 CO -0.03 0.93 0.02 0.00 -1.00 0.00 0.00 179.01 178.93 1smb h ALA 39 N 0.84 0.94 -0.42 3.43 0.00 -0.85 -1.75 119.26 121.45 1smb h ALA 39 Ca 0.10 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1smb h ALA 39 Cb 0.64 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1smb h ALA 39 CO 0.04 0.64 0.08 0.37 0.00 0.00 0.00 179.25 180.38 1smb h GLN 40 N 0.91 0.70 -0.77 0.00 5.75 -0.63 -0.61 115.11 120.45 1smb h GLN 40 Ca 0.17 -0.18 0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1smb h GLN 40 Cb 0.50 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.93 1smb h GLN 40 CO 0.02 0.73 0.51 0.37 -2.65 0.00 0.00 178.83 177.81 1smb h GLN 41 N 0.56 1.02 -0.34 1.69 4.15 -0.85 -1.63 115.11 119.69 1smb h GLN 41 Ca 0.13 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.35 1smb h GLN 41 Cb 0.36 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 1smb h GLN 41 CO 0.01 0.68 -0.34 -0.92 -1.93 0.00 0.00 178.83 176.32 1smb h TYR 42 N 1.05 0.91 -0.45 3.99 5.03 -1.09 -2.10 116.97 124.31 1smb h TYR 42 Ca 0.28 -0.25 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 1smb h TYR 42 Cb -0.11 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 37.94 1smb h TYR 42 CO -0.02 1.01 0.14 0.66 -1.32 0.00 0.00 178.16 178.63 1smb h SER 43 N 0.64 0.60 0.09 -2.11 4.64 -0.67 -0.45 113.55 116.29 1smb h SER 43 Ca 0.06 -0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 61.17 1smb h SER 43 Cb 0.89 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 1smb h SER 43 CO 0.08 0.57 -0.45 -0.33 -0.87 0.00 0.00 176.83 175.83 1smb h GLU 44 N 0.64 0.43 -0.40 4.77 5.08 -1.02 -0.17 114.58 123.91 1smb h GLU 44 Ca 0.15 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1smb h GLU 44 Cb 0.19 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1smb h GLU 44 CO -0.01 0.80 -0.03 0.00 -1.00 0.00 0.00 179.01 178.77 1smb h ALA 45 N 1.17 0.54 -0.62 3.43 0.00 -0.64 -1.29 119.26 121.85 1smb h ALA 45 Ca 0.02 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1smb h ALA 45 Cb 0.93 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1smb h ALA 45 CO 0.08 0.35 0.05 -0.07 0.00 0.00 0.00 179.25 179.66 1smb h LEU 46 N 0.55 1.02 -1.29 0.00 3.38 -0.92 -2.66 115.31 115.40 1smb h LEU 46 Ca 0.11 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 1smb h LEU 46 Cb 0.53 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1smb h LEU 46 CO 0.03 1.04 -0.36 0.00 0.09 0.00 0.00 178.44 179.25 1smb h ALA 47 N 1.06 1.41 -0.24 1.53 0.00 -0.81 0.45 119.26 122.66 1smb h ALA 47 Ca 0.18 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1smb h ALA 47 Cb 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1smb h ALA 47 CO 0.02 0.45 -0.46 0.77 0.00 0.00 0.00 179.25 180.03 1smb h SER 48 N 0.00 0.83 0.65 0.00 0.02 -0.96 -3.30 113.55 110.78 1smb h SER 48 Ca -0.00 -0.54 -0.22 0.00 -0.84 0.00 0.00 61.79 60.19 1smb h SER 48 Cb 0.63 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 1smb h SER 48 CO 0.05 1.21 -1.49 0.71 -1.14 0.00 0.00 176.83 176.16 1smb h THR 49 N 0.47 0.72 -0.36 -2.27 1.35 -1.39 -3.48 112.91 107.96 1smb h THR 49 Ca 0.01 -2.38 -0.15 0.00 -0.55 0.00 0.00 66.41 63.34 1smb h THR 49 Cb 1.06 2.25 -0.06 0.00 -1.73 0.00 0.00 68.15 69.67 1smb h THR 49 CO 0.10 0.41 -0.14 0.54 -0.25 0.00 0.00 175.52 176.18 1smb n ARG 50 N -2.99 -0.93 -3.89 4.72 1.74 0.16 -4.98 116.66 110.48 1smb n ARG 50 Ca -0.12 0.68 -0.35 0.00 -0.77 0.00 0.00 57.85 57.29 1smb n ARG 50 Cb 0.94 -4.63 -0.14 0.00 -1.02 0.00 0.00 32.46 27.61 1smb n ARG 50 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1smb s ILE 51 N -2.07 3.25 0.14 0.55 1.01 -1.24 -5.04 121.20 117.80 1smb s ILE 51 Ca 0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.43 1smb s ILE 51 Cb 0.00 -2.67 -0.07 0.00 0.01 0.00 0.00 42.46 39.73 1smb s ILE 51 CO 0.00 0.15 1.16 -0.76 0.00 0.00 0.00 174.94 175.49 1smb s LEU 52 N 1.38 4.44 -0.15 2.97 1.43 -1.26 -4.85 118.68 122.63 1smb s LEU 52 Ca 0.01 2.10 -0.31 0.00 -1.03 0.00 0.00 54.13 54.89 1smb s LEU 52 Cb -0.17 -3.60 0.13 0.00 0.03 0.00 0.00 46.19 42.59 1smb s LEU 52 CO -0.02 -0.35 1.08 -1.59 0.23 0.00 0.00 176.35 175.70 1smb s LYS 53 N 0.17 0.49 0.40 1.70 -2.85 -1.26 -5.16 119.74 113.23 1smb s LYS 53 Ca 0.53 -0.04 -0.24 0.00 -1.00 0.00 0.00 55.97 55.23 1smb s LYS 53 Cb -0.30 0.23 -0.09 0.00 -2.06 0.00 0.00 37.83 35.61 1smb s LYS 53 CO 0.33 -0.19 1.04 -1.01 0.10 0.00 0.00 175.35 175.62 1smb s HIS 54 N -1.87 3.29 0.92 1.78 3.76 -1.26 -5.05 115.29 116.86 1smb s HIS 54 Ca 0.04 1.65 -0.12 0.00 -0.15 0.00 0.00 55.06 56.48 1smb s HIS 54 Cb -0.01 -3.09 0.14 0.00 1.11 0.00 0.00 32.58 30.73 1smb s HIS 54 CO -0.04 -0.54 1.09 -1.54 -0.85 0.00 0.00 174.74 172.87 1smb s SER 55 N -1.62 3.28 0.26 1.40 1.04 -1.26 -4.80 113.70 112.00 1smb s SER 55 Ca 0.58 1.35 -0.04 0.00 0.48 0.00 0.00 55.95 58.32 1smb s SER 55 Cb -0.21 -2.03 0.31 0.00 0.10 0.00 0.00 66.02 64.19 1smb s SER 55 CO 0.26 -2.74 1.83 -0.65 0.98 0.00 0.00 173.24 172.92 1smb h PRO 56 N -1.62 1.04 -0.86 4.02 0.11 -1.98 -0.32 132.00 132.38 1smb h PRO 56 Ca -0.51 -0.17 -0.02 0.00 0.11 0.00 0.00 66.00 65.41 1smb h PRO 56 Cb 1.30 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1smb h PRO 56 CO 0.56 0.84 0.48 0.93 -0.21 0.00 0.00 178.00 180.59 1smb h GLU 57 N 1.02 1.20 -0.14 1.05 3.07 -1.97 -0.12 114.58 118.68 1smb h GLU 57 Ca 0.24 -0.14 -0.05 0.00 -0.50 0.00 0.00 59.36 58.91 1smb h GLU 57 Cb 0.18 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 27.85 1smb h GLU 57 CO -0.02 0.88 -0.11 1.03 -1.40 0.00 0.00 179.01 179.38 1smb h SER 58 N 1.20 0.34 -0.17 1.42 0.87 -1.82 -1.03 113.55 114.36 1smb h SER 58 Ca 0.30 -0.46 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 1smb h SER 58 Cb 0.02 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1smb h SER 58 CO -0.05 0.73 0.08 0.28 -0.53 0.00 0.00 176.83 177.33 1smb h SER 59 N -0.04 0.27 -0.20 6.23 0.02 -0.78 -1.92 113.55 117.13 1smb h SER 59 Ca 0.03 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1smb h SER 59 Cb 0.62 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1smb h SER 59 CO 0.03 0.26 0.00 0.54 -1.14 0.00 0.00 176.83 176.52 1smb n ARG 60 N -4.43 1.81 -1.38 3.45 1.74 -0.08 -4.94 116.66 112.82 1smb n ARG 60 Ca 0.00 -1.22 -0.13 0.00 -0.77 0.00 0.00 57.85 55.73 1smb n ARG 60 Cb 0.13 -1.40 -0.06 0.00 -1.02 0.00 0.00 32.46 30.12 1smb n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1smb n GLY 61 N 1.16 1.38 0.00 -0.13 0.00 -0.72 -5.05 105.19 101.82 1smb n GLY 61 Ca 0.16 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.94 1smb n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1smb n GLN 62 N -2.49 0.23 -4.35 1.61 6.02 -0.41 -4.77 117.38 113.22 1smb n GLN 62 Ca -0.13 0.07 -0.24 0.00 -0.01 0.00 0.00 57.00 56.69 1smb n GLN 62 Cb 0.45 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.12 1smb n GLN 62 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1smb s GLY 64 N -2.72 1.73 -0.21 1.08 0.00 0.53 -4.44 107.32 103.30 1smb s GLY 64 Ca 0.19 -1.70 -0.13 0.00 0.00 0.00 0.00 44.72 43.07 1smb s GLY 64 CO 0.39 -1.77 0.52 1.85 0.00 0.00 0.00 173.10 174.08 1smb s GLU 65 N -3.53 0.54 -0.04 2.90 2.12 -1.26 -0.97 118.70 118.46 1smb s GLU 65 Ca 0.30 0.90 0.07 0.00 0.36 0.00 0.00 54.97 56.60 1smb s GLU 65 Cb -0.06 0.10 -0.02 0.00 0.26 0.00 0.00 34.13 34.41 1smb s GLU 65 CO 0.18 -0.13 -0.25 -0.80 -0.54 0.00 0.00 175.26 173.71 1smb s ASN 66 N 1.19 3.08 0.10 -1.70 0.01 -0.37 -4.98 114.94 112.27 1smb s ASN 66 Ca -0.07 -0.48 0.10 0.00 -0.71 0.00 0.00 52.86 51.70 1smb s ASN 66 Cb -0.06 -0.58 -0.04 0.00 0.41 0.00 0.00 41.25 40.98 1smb s ASN 66 CO -0.11 0.29 -0.26 -0.76 -1.51 0.00 0.00 177.10 174.74 1smb s LEU 67 N -0.41 2.30 -0.09 0.60 1.43 -1.26 -1.06 118.68 120.20 1smb s LEU 67 Ca 0.04 -0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 52.41 1smb s LEU 67 Cb -0.12 -1.26 0.04 0.00 0.03 0.00 0.00 46.19 44.89 1smb s LEU 67 CO 0.01 0.20 0.20 0.00 0.23 0.00 0.00 176.35 177.00 1smb s ALA 68 N -0.99 -0.43 0.09 4.21 0.00 -0.46 -4.99 121.76 119.19 1smb s ALA 68 Ca 0.14 0.86 0.09 0.00 0.00 0.00 0.00 51.96 53.05 1smb s ALA 68 Cb -0.10 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 1smb s ALA 68 CO 0.05 -0.19 -0.23 -0.46 0.00 0.00 0.00 175.76 174.93 1smb s TRP 69 N 1.24 2.00 0.07 0.00 -0.00 -1.26 -0.58 118.94 120.41 1smb s TRP 69 Ca -0.09 -0.40 -0.20 0.00 -0.00 0.00 0.00 56.10 55.41 1smb s TRP 69 Cb -0.11 -1.12 0.04 0.00 -0.00 0.00 0.00 33.47 32.29 1smb s TRP 69 CO -0.07 0.22 0.46 0.00 -0.00 0.00 0.00 176.95 177.56 1smb s ALA 70 N -1.03 -1.16 -0.91 5.86 0.00 -1.06 -5.01 121.76 118.44 1smb s ALA 70 Ca 0.09 0.36 0.23 0.00 0.00 0.00 0.00 51.96 52.65 1smb s ALA 70 Cb -0.10 0.47 0.96 0.00 0.00 0.00 0.00 23.12 24.45 1smb s ALA 70 CO 0.04 -0.53 1.74 -1.13 0.00 0.00 0.00 175.76 175.88 1smb n SER 71 N 0.26 0.18 -4.54 0.00 3.41 -1.26 -1.24 113.62 110.43 1smb n SER 71 Ca -0.18 0.53 -0.30 0.00 -0.26 0.00 0.00 58.87 58.66 1smb n SER 71 Cb 0.61 -0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 63.91 1smb n SER 71 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1smb s TYR 72 N -3.05 1.90 -0.44 7.33 -0.85 -1.26 -3.66 117.35 117.33 1smb s TYR 72 Ca 0.10 -1.03 -0.29 0.00 -0.52 0.00 0.00 57.07 55.33 1smb s TYR 72 Cb 0.14 -1.47 0.02 0.00 0.38 0.00 0.00 41.96 41.03 1smb s TYR 72 CO 0.44 0.08 1.26 0.34 -1.52 0.00 0.00 175.55 176.15 1smb s ASP 73 N -3.76 6.51 0.32 -0.18 3.68 -1.26 -3.45 116.67 118.53 1smb s ASP 73 Ca 0.15 0.66 -0.27 0.00 2.13 0.00 0.00 52.55 55.22 1smb s ASP 73 Cb 0.03 -2.55 -0.09 0.00 -1.45 0.00 0.00 42.92 38.86 1smb s ASP 73 CO 0.08 -1.32 1.07 -1.10 0.13 0.00 0.00 175.17 174.04 1smb s GLN 74 N 4.64 4.47 0.41 4.34 -0.21 -1.26 -5.06 119.66 126.98 1smb s GLN 74 Ca 0.54 1.68 -0.02 0.00 0.02 0.00 0.00 55.36 57.58 1smb s GLN 74 Cb -0.10 -2.95 -0.04 0.00 1.00 0.00 0.00 33.01 30.92 1smb s GLN 74 CO 0.31 0.09 0.66 0.95 -2.12 0.00 0.00 175.29 175.18 1smb s THR 75 N -1.35 5.01 0.23 -0.19 -4.23 -1.26 -5.00 115.64 108.85 1smb s THR 75 Ca 0.49 -0.13 -0.06 0.00 -1.18 0.00 0.00 61.69 60.81 1smb s THR 75 Cb -0.28 -3.86 0.17 0.00 1.34 0.00 0.00 72.50 69.87 1smb s THR 75 CO 0.36 -0.68 1.80 1.23 -0.54 0.00 0.00 174.62 176.79 1smb h GLY 76 N 0.56 1.23 0.94 3.99 0.00 -1.89 -2.80 103.07 105.10 1smb h GLY 76 Ca -0.48 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 46.15 1smb h GLY 76 CO 0.62 0.62 0.10 1.70 0.00 0.00 0.00 176.54 179.57 1smb h LYS 77 N 1.12 0.66 -0.91 4.80 3.64 -1.92 -2.59 116.57 121.36 1smb h LYS 77 Ca 0.26 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1smb h LYS 77 Cb 0.20 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1smb h LYS 77 CO -0.02 0.68 0.55 0.93 -2.27 0.00 0.00 179.45 179.32 1smb h GLU 78 N 0.53 1.24 -0.06 1.90 5.08 -1.94 -0.52 114.58 120.81 1smb h GLU 78 Ca 0.13 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1smb h GLU 78 Cb 0.32 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1smb h GLU 78 CO 0.00 0.86 -0.00 0.28 -1.00 0.00 0.00 179.01 179.15 1smb h VAL 79 N 1.26 1.26 -0.79 3.13 2.07 -1.41 -1.82 116.25 119.94 1smb h VAL 79 Ca 0.33 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1smb h VAL 79 Cb -0.05 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1smb h VAL 79 CO -0.06 0.22 0.38 0.00 0.02 0.00 0.00 177.57 178.13 1smb h ALA 80 N 0.70 1.02 -0.81 1.67 0.00 -1.28 -2.04 119.26 118.53 1smb h ALA 80 Ca 0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1smb h ALA 80 Cb 0.36 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1smb h ALA 80 CO 0.00 0.59 0.34 -0.44 0.00 0.00 0.00 179.25 179.74 1smb h ASP 81 N 1.12 1.10 -0.42 0.00 3.32 -1.03 -0.62 116.42 119.90 1smb h ASP 81 Ca 0.27 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1smb h ASP 81 Cb 0.13 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1smb h ASP 81 CO -0.03 0.96 0.07 -0.09 -1.72 0.00 0.00 179.24 178.43 1smb h ARG 82 N 1.17 0.69 -0.42 3.56 2.43 -0.95 -1.47 114.38 119.38 1smb h ARG 82 Ca 0.27 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1smb h ARG 82 Cb 0.20 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1smb h ARG 82 CO -0.02 0.73 0.02 -1.49 -1.51 0.00 0.00 179.97 177.70 1smb h TRP 83 N 0.54 0.80 -0.22 2.20 6.55 -1.19 -3.14 115.95 121.50 1smb h TRP 83 Ca 0.13 -0.13 -0.07 0.00 0.95 0.00 0.00 58.89 59.76 1smb h TRP 83 Cb 0.38 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 28.45 1smb h TRP 83 CO 0.03 0.79 -0.19 -0.92 -1.05 0.00 0.00 178.44 177.09 1smb h TYR 84 N 0.58 0.41 -0.38 0.49 3.20 -1.00 -3.07 116.97 117.20 1smb h TYR 84 Ca 0.12 -0.07 0.11 0.00 3.14 0.00 0.00 58.73 62.03 1smb h TYR 84 Cb 0.46 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1smb h TYR 84 CO 0.03 0.56 0.54 0.66 -1.64 0.00 0.00 178.16 178.31 1smb h SER 85 N 0.35 0.00 0.15 -2.11 4.64 -1.21 -1.00 113.55 114.37 1smb h SER 85 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1smb h SER 85 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1smb h SER 85 CO 0.04 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.38 1smb n GLU 86 N -3.41 0.08 0.14 4.77 1.02 -1.19 -2.28 120.64 119.77 1smb n GLU 86 Ca 0.07 0.51 0.17 0.00 -0.02 0.00 0.00 57.16 57.90 1smb n GLU 86 Cb 0.70 -1.72 0.76 0.00 -0.02 0.00 0.00 31.44 31.16 1smb n GLU 86 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1smb h ILE 87 N 0.00 0.59 -0.18 -3.67 2.10 -1.45 -0.76 117.51 114.14 1smb h ILE 87 Ca 0.00 0.00 0.05 0.00 1.08 0.00 0.00 64.86 65.99 1smb h ILE 87 Cb 0.07 0.81 -0.01 0.00 -1.09 0.00 0.00 36.82 36.61 1smb h ILE 87 CO 0.00 0.00 0.14 0.50 -1.08 0.00 0.00 178.15 177.71 1smb h LYS 88 N 0.00 0.00 -0.58 2.19 3.64 -1.72 -1.70 116.57 118.40 1smb h LYS 88 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1smb h LYS 88 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1smb h LYS 88 CO -0.00 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 1smb n ASN 89 N -4.37 3.73 -4.65 4.20 5.03 -0.29 -4.92 115.26 113.99 1smb n ASN 89 Ca 0.01 -2.10 -0.37 0.00 0.87 0.00 0.00 54.58 52.99 1smb n ASN 89 Cb 0.27 -0.42 -0.09 0.00 -1.02 0.00 0.00 39.78 38.52 1smb n ASN 89 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1smb s TYR 90 N -1.18 3.31 -0.50 3.10 5.04 -0.64 -4.94 117.35 121.54 1smb s TYR 90 Ca 0.41 0.33 -0.18 0.00 -2.44 0.00 0.00 57.07 55.18 1smb s TYR 90 Cb 0.22 -2.38 0.06 0.00 0.35 0.00 0.00 41.96 40.22 1smb s TYR 90 CO 0.25 -0.01 0.55 1.21 -1.34 0.00 0.00 175.55 176.22 1smb s ASN 91 N 1.19 6.20 0.24 4.32 3.84 -1.26 -4.91 114.94 124.55 1smb s ASN 91 Ca 0.11 -1.05 0.22 0.00 0.21 0.00 0.00 52.86 52.35 1smb s ASN 91 Cb -0.14 -2.26 0.95 0.00 -0.55 0.00 0.00 41.25 39.26 1smb s ASN 91 CO 0.07 -0.82 1.66 0.49 -2.79 0.00 0.00 177.10 175.71 1smb n PHE 92 N 5.87 0.70 0.17 0.43 3.72 -1.26 -1.90 117.46 125.18 1smb n PHE 92 Ca -0.08 0.29 0.06 0.00 -0.05 0.00 0.00 57.45 57.67 1smb n PHE 92 Cb 0.45 -0.97 0.08 0.00 -0.94 0.00 0.00 39.48 38.10 1smb n PHE 92 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1smb h GLN 93 N 0.00 0.00 -2.21 -1.08 1.08 -2.02 -3.36 115.11 107.52 1smb h GLN 93 Ca 0.00 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.62 1smb h GLN 93 Cb 0.28 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.31 1smb h GLN 93 CO 0.00 0.29 -0.88 0.00 -0.95 0.00 0.00 178.83 177.29 1smb n GLN 94 N -3.17 1.29 -1.70 1.46 10.64 -0.80 -5.12 117.38 119.98 1smb n GLN 94 Ca 0.03 -3.77 -0.40 0.00 -1.83 0.00 0.00 57.00 51.02 1smb n GLN 94 Cb 0.65 -1.69 0.02 0.00 -0.86 0.00 0.00 30.24 28.36 1smb n GLN 94 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1smb n PRO 95 N 1.50 1.83 0.00 2.61 -0.04 -1.20 -4.72 135.00 134.97 1smb n PRO 95 Ca 0.25 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 1smb n PRO 95 Cb 0.47 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 1smb n PRO 95 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1smb n GLY 96 N 0.84 3.07 3.76 0.55 0.00 -1.26 -4.90 105.19 107.26 1smb n GLY 96 Ca 0.08 -1.11 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 1smb n GLY 96 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1smb s PHE 97 N -2.00 3.44 -0.13 1.61 5.36 -1.26 -5.01 117.98 119.99 1smb s PHE 97 Ca 0.00 1.66 -0.11 0.00 -0.96 0.00 0.00 56.93 57.51 1smb s PHE 97 Cb 0.00 -3.30 0.03 0.00 -0.34 0.00 0.00 43.02 39.42 1smb s PHE 97 CO 0.00 -0.73 0.34 0.95 -1.46 0.00 0.00 175.22 174.31 1smb s THR 98 N -1.27 -0.00 0.28 0.12 -4.23 -1.26 -5.06 115.64 104.22 1smb s THR 98 Ca 0.48 0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 60.98 1smb s THR 98 Cb -0.31 -0.48 0.27 0.00 1.34 0.00 0.00 72.50 73.32 1smb s THR 98 CO 0.39 0.00 1.93 0.28 -0.54 0.00 0.00 174.62 176.69 1smb h SER 99 N 5.72 1.00 0.51 3.99 0.02 -2.00 -2.31 113.55 120.49 1smb h SER 99 Ca -0.27 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1smb h SER 99 Cb 1.19 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1smb h SER 99 CO 0.30 0.69 0.00 1.23 -1.14 0.00 0.00 176.83 177.91 1smb h GLY 100 N 1.16 0.00 -0.18 -3.77 0.00 -1.99 -2.66 103.07 95.63 1smb h GLY 100 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1smb h GLY 100 CO -0.10 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.14 1smb n THR 101 N -2.39 0.70 -0.03 4.70 -2.24 -0.97 -4.79 114.28 109.26 1smb n THR 101 Ca 0.01 -0.85 0.10 0.00 -2.27 0.00 0.00 64.05 61.04 1smb n THR 101 Cb 0.17 0.66 0.50 0.00 -2.10 0.00 0.00 70.33 69.57 1smb n THR 101 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1smb h GLY 102 N 0.33 0.50 1.46 3.38 0.00 -1.05 -0.61 103.07 107.06 1smb h GLY 102 Ca 0.00 -0.16 -0.22 0.00 0.00 0.00 0.00 47.33 46.95 1smb h GLY 102 CO 0.00 0.12 -0.89 0.45 0.00 0.00 0.00 176.54 176.21 1smb h HIS 103 N 0.39 0.72 -0.02 5.60 3.86 -1.85 -2.48 115.15 121.38 1smb h HIS 103 Ca 0.22 -0.37 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 1smb h HIS 103 Cb 0.37 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 1smb h HIS 103 CO -0.00 1.18 -0.01 0.35 0.86 0.00 0.00 177.93 180.31 1smb h PHE 104 N 0.31 0.05 0.00 2.45 3.57 -1.33 -2.48 116.94 119.51 1smb h PHE 104 Ca -0.07 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.37 1smb h PHE 104 Cb 1.52 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.24 1smb h PHE 104 CO 0.07 0.44 -0.21 1.79 -2.23 0.00 0.00 178.31 178.16 1smb h THR 105 N -0.34 1.13 -0.26 4.41 1.35 -1.19 -2.17 112.91 115.83 1smb h THR 105 Ca 0.01 -0.72 -0.19 0.00 -0.55 0.00 0.00 66.41 64.95 1smb h THR 105 Cb 0.42 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1smb h THR 105 CO 0.00 0.21 -0.59 0.00 -0.25 0.00 0.00 175.52 174.89 1smb h ALA 106 N 1.79 0.45 -0.58 6.62 0.00 -1.43 -2.15 119.26 123.97 1smb h ALA 106 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1smb h ALA 106 Cb 0.37 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1smb h ALA 106 CO 0.03 0.68 0.38 1.98 0.00 0.00 0.00 179.25 182.32 1smb h MET 107 N 0.64 0.77 -0.54 0.00 -1.53 -0.92 -3.10 114.93 110.24 1smb h MET 107 Ca 0.00 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.21 1smb h MET 107 Cb 1.20 -0.17 0.00 0.00 -0.55 0.00 0.00 31.60 32.08 1smb h MET 107 CO 0.13 0.52 0.00 1.33 0.14 0.00 0.00 176.91 179.02 1smb n VAL 108 N -4.67 0.71 -1.59 -5.77 0.24 -0.93 -4.88 118.33 101.43 1smb n VAL 108 Ca 0.04 -0.83 -0.48 0.00 -2.04 0.00 0.00 64.34 61.03 1smb n VAL 108 Cb 0.02 0.70 -0.05 0.00 -1.47 0.00 0.00 33.84 33.04 1smb n VAL 108 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 1smb n TRP 109 N 1.48 2.04 -0.19 6.34 -0.00 -0.81 -4.74 117.44 121.56 1smb n TRP 109 Ca 0.21 0.04 -0.00 0.00 -0.00 0.00 0.00 57.50 57.75 1smb n TRP 109 Cb 0.59 -2.64 0.09 0.00 -0.00 0.00 0.00 31.31 29.34 1smb n TRP 109 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 1smb h LYS 110 N 11.56 0.13 0.00 5.87 3.64 -1.45 -2.16 116.57 134.16 1smb h LYS 110 Ca -0.41 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1smb h LYS 110 Cb 1.28 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1smb h LYS 110 CO 0.97 0.08 0.00 -1.71 -2.27 0.00 0.00 179.45 176.53 1smb n ASN 111 N -5.25 0.00 -4.73 4.20 5.15 -1.26 -4.68 115.26 108.69 1smb n ASN 111 Ca 0.08 0.43 -0.41 0.00 -0.60 0.00 0.00 54.58 54.07 1smb n ASN 111 Cb 0.32 -0.47 -0.04 0.00 -0.53 0.00 0.00 39.78 39.06 1smb n ASN 111 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1smb s THR 112 N -2.94 4.07 -0.09 -0.44 2.01 -0.81 -4.35 115.64 113.09 1smb s THR 112 Ca 0.11 1.72 0.01 0.00 0.31 0.00 0.00 61.69 63.84 1smb s THR 112 Cb 0.13 -4.10 -0.06 0.00 0.01 0.00 0.00 72.50 68.48 1smb s THR 112 CO 0.35 0.26 -0.08 0.29 -0.69 0.00 0.00 174.62 174.76 1smb n LYS 113 N 2.70 0.29 -4.34 4.92 4.76 0.05 -4.85 118.16 121.69 1smb n LYS 113 Ca 0.03 0.05 -0.20 0.00 -2.87 0.00 0.00 58.31 55.32 1smb n LYS 113 Cb 0.47 -1.18 -0.11 0.00 -1.84 0.00 0.00 35.03 32.37 1smb n LYS 113 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1smb s LYS 114 N -2.18 1.30 0.03 1.97 1.02 0.20 -2.05 119.74 120.03 1smb s LYS 114 Ca -0.12 -1.49 -0.03 0.00 0.02 0.00 0.00 55.97 54.35 1smb s LYS 114 Cb 0.03 -1.25 -0.02 0.00 -0.52 0.00 0.00 37.83 36.08 1smb s LYS 114 CO 0.21 0.24 0.05 1.41 -0.92 0.00 0.00 175.35 176.33 1smb s MET 115 N -3.15 0.51 0.01 1.68 -2.45 -0.31 -0.96 119.30 114.63 1smb s MET 115 Ca 0.19 -0.77 0.05 0.00 -1.25 0.00 0.00 55.69 53.90 1smb s MET 115 Cb -0.04 0.19 -0.02 0.00 1.25 0.00 0.00 34.83 36.22 1smb s MET 115 CO 0.07 -0.11 -0.14 0.20 1.05 0.00 0.00 175.02 176.08 1smb s GLY 116 N -2.04 0.73 -0.02 2.11 0.00 -0.14 -4.29 107.32 103.68 1smb s GLY 116 Ca -0.06 -0.70 0.04 0.00 0.00 0.00 0.00 44.72 44.00 1smb s GLY 116 CO -0.04 -0.62 -0.13 0.14 0.00 0.00 0.00 173.10 172.44 1smb s VAL 117 N -0.53 1.08 0.00 1.40 1.01 -1.26 -0.42 120.40 121.68 1smb s VAL 117 Ca 0.04 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 1smb s VAL 117 Cb -0.06 -0.92 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 1smb s VAL 117 CO 0.00 0.31 0.11 -0.83 0.00 0.00 0.00 175.10 174.70 1smb s GLY 118 N -0.19 0.07 -0.13 4.51 0.00 -0.02 -4.36 107.32 107.20 1smb s GLY 118 Ca 0.03 -0.18 -0.09 0.00 0.00 0.00 0.00 44.72 44.48 1smb s GLY 118 CO -0.00 -0.31 0.32 1.25 0.00 0.00 0.00 173.10 174.36 1smb s LYS 119 N -1.34 0.32 -0.00 2.90 2.20 -1.26 -1.04 119.74 121.52 1smb s LYS 119 Ca -0.14 0.56 -0.04 0.00 -0.36 0.00 0.00 55.97 55.99 1smb s LYS 119 Cb -0.08 0.02 -0.00 0.00 -1.51 0.00 0.00 37.83 36.26 1smb s LYS 119 CO 0.01 -0.11 0.08 0.00 -0.36 0.00 0.00 175.35 174.97 1smb s ALA 120 N 0.86 -0.18 -0.06 3.13 0.00 -0.68 -4.91 121.76 119.92 1smb s ALA 120 Ca -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 1smb s ALA 120 Cb -0.07 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 1smb s ALA 120 CO -0.06 -0.15 0.02 -1.54 0.00 0.00 0.00 175.76 174.03 1smb s SER 121 N -1.02 5.35 0.85 0.00 1.04 -1.26 -0.57 113.70 118.08 1smb s SER 121 Ca -0.11 0.14 -0.10 0.00 0.48 0.00 0.00 55.95 56.36 1smb s SER 121 Cb -0.06 -1.51 0.15 0.00 0.10 0.00 0.00 66.02 64.70 1smb s SER 121 CO 0.00 0.35 1.18 0.00 0.98 0.00 0.00 173.24 175.75 1smb s ALA 122 N -0.96 2.81 0.45 5.32 0.00 0.20 -4.90 121.76 124.67 1smb s ALA 122 Ca 0.16 -1.27 0.13 0.00 0.00 0.00 0.00 51.96 50.98 1smb s ALA 122 Cb -0.11 -2.55 1.06 0.00 0.00 0.00 0.00 23.12 21.52 1smb s ALA 122 CO 0.05 -1.95 2.03 0.77 0.00 0.00 0.00 175.76 176.67 1smb h SER 123 N -1.14 0.30 -0.32 0.00 0.02 -1.89 -1.44 113.55 109.09 1smb h SER 123 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1smb h SER 123 Cb 1.26 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1smb h SER 123 CO 0.44 0.19 0.00 -0.90 -1.14 0.00 0.00 176.83 175.42 1smb n ASP 124 N -4.47 1.90 0.00 3.07 3.85 -1.26 -4.92 116.55 114.71 1smb n ASP 124 Ca 0.06 -2.05 0.00 0.00 -0.71 0.00 0.00 54.79 52.09 1smb n ASP 124 Cb 0.25 -0.26 0.00 0.00 -1.35 0.00 0.00 41.12 39.76 1smb n ASP 124 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1smb n GLY 125 N 0.92 2.14 3.77 6.12 0.00 -0.54 -5.02 105.19 112.59 1smb n GLY 125 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1smb n GLY 125 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1smb s SER 126 N -3.47 6.19 0.05 1.61 1.04 -1.24 -4.21 113.70 113.66 1smb s SER 126 Ca 0.00 2.24 0.05 0.00 0.48 0.00 0.00 55.95 58.73 1smb s SER 126 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 1smb s SER 126 CO 0.00 -0.90 -0.09 -0.94 0.98 0.00 0.00 173.24 172.29 1smb s SER 127 N -1.46 4.44 -0.19 7.02 1.04 -0.37 -0.63 113.70 123.54 1smb s SER 127 Ca 0.64 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.81 1smb s SER 127 Cb -0.27 -0.93 0.03 0.00 0.10 0.00 0.00 66.02 64.95 1smb s SER 127 CO 0.32 0.23 -0.17 -0.36 0.98 0.00 0.00 173.24 174.24 1smb s PHE 128 N -1.08 2.80 -0.11 5.02 0.40 0.26 -2.57 117.98 122.70 1smb s PHE 128 Ca 0.19 -1.73 -0.01 0.00 -0.60 0.00 0.00 56.93 54.78 1smb s PHE 128 Cb -0.11 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 1smb s PHE 128 CO 0.10 -0.81 -0.08 0.08 0.70 0.00 0.00 175.22 175.22 1smb s VAL 129 N 1.28 3.59 -0.08 -0.44 1.01 0.25 -1.69 120.40 124.31 1smb s VAL 129 Ca 0.02 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.53 1smb s VAL 129 Cb -0.14 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1smb s VAL 129 CO -0.11 0.55 -0.13 -0.69 0.00 0.00 0.00 175.10 174.72 1smb s VAL 130 N -0.21 1.26 -0.11 2.92 1.01 -0.20 -1.35 120.40 123.72 1smb s VAL 130 Ca 0.02 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1smb s VAL 130 Cb -0.13 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.09 1smb s VAL 130 CO 0.03 0.39 -0.21 0.00 0.00 0.00 0.00 175.10 175.30 1smb s ALA 131 N 0.87 2.28 -0.07 5.51 0.00 -0.22 -0.84 121.76 129.29 1smb s ALA 131 Ca -0.10 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 50.90 1smb s ALA 131 Cb -0.15 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 1smb s ALA 131 CO 0.01 0.26 -0.04 1.03 0.00 0.00 0.00 175.76 177.01 1smb s ARG 132 N 0.38 2.83 -0.02 0.00 1.81 0.44 -1.23 118.95 123.15 1smb s ARG 132 Ca -0.16 -0.50 0.05 0.00 -1.72 0.00 0.00 55.73 53.39 1smb s ARG 132 Cb -0.17 -2.66 -0.01 0.00 -0.45 0.00 0.00 34.95 31.65 1smb s ARG 132 CO 0.07 0.68 -0.17 0.71 -0.68 0.00 0.00 175.30 175.91 1smb s TYR 133 N -0.85 1.61 -0.02 -0.53 2.02 -0.15 -0.96 117.35 118.47 1smb s TYR 133 Ca 0.13 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 1smb s TYR 133 Cb -0.11 -1.06 0.03 0.00 -0.40 0.00 0.00 41.96 40.42 1smb s TYR 133 CO 0.02 -0.07 0.02 0.12 -1.57 0.00 0.00 175.55 174.07 1smb s PHE 134 N -0.25 0.13 0.78 2.71 5.36 -0.14 -0.34 117.98 126.23 1smb s PHE 134 Ca 0.03 0.09 -0.11 0.00 -0.96 0.00 0.00 56.93 55.98 1smb s PHE 134 Cb -0.08 -0.31 0.06 0.00 -0.34 0.00 0.00 43.02 42.35 1smb s PHE 134 CO 0.00 -0.11 1.08 -2.14 -1.46 0.00 0.00 175.22 172.60 1smb s PRO 135 N 1.09 2.22 0.28 10.12 0.02 -1.26 -0.63 135.00 146.84 1smb s PRO 135 Ca -0.09 0.95 -0.30 0.00 0.02 0.00 0.00 61.00 61.58 1smb s PRO 135 Cb -0.13 -1.91 -0.11 0.00 0.02 0.00 0.00 34.50 32.37 1smb s PRO 135 CO -0.03 -1.61 1.55 0.00 -0.33 0.00 0.00 177.00 176.58 1smb s ALA 136 N -2.99 3.71 0.14 -1.55 0.00 -1.24 -4.54 121.76 115.28 1smb s ALA 136 Ca 0.61 1.50 0.00 0.00 0.00 0.00 0.00 51.96 54.07 1smb s ALA 136 Cb -0.16 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1smb s ALA 136 CO 0.56 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1smb n GLY 137 N 2.10 1.60 3.82 0.00 0.00 -1.26 -4.74 105.19 106.71 1smb n GLY 137 Ca 0.07 -1.94 -0.28 0.00 0.00 0.00 0.00 46.02 43.87 1smb n GLY 137 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1smb n ASN 138 N 0.00 -4.79 -4.66 1.61 5.03 -1.26 -4.92 115.26 106.27 1smb n ASN 138 Ca 0.00 -0.73 -0.43 0.00 0.87 0.00 0.00 54.58 54.29 1smb n ASN 138 Cb 0.00 -4.17 -0.02 0.00 -1.02 0.00 0.00 39.78 34.57 1smb n ASN 138 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1smb s VAL 139 N -3.34 4.51 -0.43 2.41 1.01 -1.26 -4.95 120.40 118.35 1smb s VAL 139 Ca 0.58 1.82 0.25 0.00 0.00 0.00 0.00 61.98 64.63 1smb s VAL 139 Cb -0.28 -4.18 0.33 0.00 0.00 0.00 0.00 36.38 32.25 1smb s VAL 139 CO 0.81 -0.15 1.69 -0.37 0.00 0.00 0.00 175.10 177.08 1smb h VAL 140 N 5.44 0.00 -3.87 2.92 -1.51 -1.99 -3.39 116.25 113.86 1smb h VAL 140 Ca -0.23 -0.81 -0.54 0.00 -1.23 0.00 0.00 66.70 63.89 1smb h VAL 140 Cb 1.08 1.80 0.19 0.00 -2.13 0.00 0.00 31.29 32.23 1smb h VAL 140 CO 0.97 0.00 0.05 0.59 -1.23 0.00 0.00 177.57 177.94 1smb n ASN 141 N -2.91 0.11 -4.66 4.19 4.13 -1.26 -4.87 115.26 109.99 1smb n ASN 141 Ca 0.04 0.55 -0.46 0.00 1.68 0.00 0.00 54.58 56.39 1smb n ASN 141 Cb 0.47 -1.40 -0.04 0.00 -1.54 0.00 0.00 39.78 37.27 1smb n ASN 141 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1smb n GLU 142 N -2.48 2.02 0.00 3.52 2.13 -1.26 -2.42 120.64 122.15 1smb n GLU 142 Ca 0.12 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.66 1smb n GLU 142 Cb 0.51 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.79 1smb n GLU 142 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1smb n GLY 143 N 2.76 2.99 0.17 8.31 0.00 -1.26 -4.92 105.19 113.24 1smb n GLY 143 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1smb n GLY 143 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1smb h PHE 144 N 0.00 0.47 -0.43 1.61 -1.00 -1.75 -2.24 116.94 113.61 1smb h PHE 144 Ca 0.00 -0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.66 1smb h PHE 144 Cb 0.00 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.39 1smb h PHE 144 CO 0.00 0.34 -0.22 0.74 -1.61 0.00 0.00 178.31 177.56 1smb h PHE 145 N 0.47 0.99 -0.26 -0.55 -1.00 -1.78 -0.87 116.94 113.94 1smb h PHE 145 Ca 0.13 -0.23 -0.04 0.00 2.81 0.00 0.00 57.97 60.64 1smb h PHE 145 Cb 0.01 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.32 1smb h PHE 145 CO -0.04 1.00 -0.00 1.49 -1.61 0.00 0.00 178.31 179.15 1smb h GLU 146 N 0.75 0.39 0.00 1.51 4.81 -1.80 0.15 114.58 120.39 1smb h GLU 146 Ca 0.10 -0.07 -0.22 0.00 -0.13 0.00 0.00 59.36 59.04 1smb h GLU 146 Cb 0.76 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 1smb h GLU 146 CO 0.06 0.42 -1.19 1.49 -0.73 0.00 0.00 179.01 179.06 1smb h GLU 147 N 0.38 0.00 0.00 1.92 4.81 -1.21 -3.40 114.58 117.07 1smb h GLU 147 Ca 0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1smb h GLU 147 Cb 0.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1smb h GLU 147 CO 0.01 0.76 -1.69 0.09 -0.73 0.00 0.00 179.01 177.45 1smb n ASN 148 N -3.22 1.63 -4.11 1.04 3.02 -0.35 -4.82 115.26 108.46 1smb n ASN 148 Ca -0.05 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.14 1smb n ASN 148 Cb 0.95 1.63 -0.11 0.00 -0.61 0.00 0.00 39.78 41.63 1smb n ASN 148 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1smb s VAL 149 N -2.99 3.30 0.14 2.41 1.01 0.51 -1.13 120.40 123.65 1smb s VAL 149 Ca -0.05 -2.25 -0.05 0.00 0.00 0.00 0.00 61.98 59.63 1smb s VAL 149 Cb 0.09 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 1smb s VAL 149 CO 0.61 -0.72 0.38 -0.76 0.00 0.00 0.00 175.10 174.61 1smb s LEU 150 N 0.90 4.27 0.57 3.92 1.43 -1.26 -4.68 118.68 123.82 1smb s LEU 150 Ca 0.10 0.60 -0.19 0.00 -1.03 0.00 0.00 54.13 53.61 1smb s LEU 150 Cb -0.22 -3.30 -0.05 0.00 0.03 0.00 0.00 46.19 42.65 1smb s LEU 150 CO -0.04 0.06 1.18 -2.16 0.23 0.00 0.00 176.35 175.61 1smb s PRO 151 N -2.62 3.17 0.00 1.29 0.04 -1.26 -4.88 135.00 130.74 1smb s PRO 151 Ca 0.41 1.74 0.10 0.00 0.04 0.00 0.00 61.00 63.29 1smb s PRO 151 Cb -0.12 -1.99 0.58 0.00 0.04 0.00 0.00 34.50 33.01 1smb s PRO 151 CO 0.24 -1.02 1.03 -0.35 0.04 0.00 0.00 177.00 176.93