#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0b h PRO 20 N 0.00 0.99 0.00 1.20 0.11 -2.01 -1.92 132.00 130.37 2p0b h PRO 20 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2p0b h PRO 20 Cb 0.00 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 30.89 2p0b h PRO 20 CO 0.00 0.65 0.00 -0.44 -0.21 0.00 0.00 178.00 178.00 2p0b h ASP 21 N 1.02 0.00 -1.01 -2.05 3.32 -1.98 -3.07 116.42 112.66 2p0b h ASP 21 Ca 0.49 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.62 2p0b h ASP 21 Cb 0.45 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.92 2p0b h ASP 21 CO -0.25 0.00 0.64 0.00 -1.72 0.00 0.00 179.24 177.91 2p0b h ALA 22 N 2.02 1.45 -0.36 3.45 0.00 -1.76 -1.71 119.26 122.35 2p0b h ALA 22 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2p0b h ALA 22 Cb 0.45 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2p0b h ALA 22 CO 0.00 0.36 0.02 0.00 0.00 0.00 0.00 179.25 179.63 2p0b h ALA 23 N 1.49 0.35 -0.57 0.00 0.00 -1.68 -2.19 119.26 116.65 2p0b h ALA 23 Ca 0.46 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.36 2p0b h ALA 23 Cb 0.29 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2p0b h ALA 23 CO -0.21 -0.38 -0.03 0.00 0.00 0.00 0.00 179.25 178.64 2p0b n LEU 25 N -4.17 0.00 0.17 0.00 4.77 -0.70 -1.33 117.00 115.74 2p0b n LEU 25 Ca 0.03 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.04 2p0b n LEU 25 Cb 0.36 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.74 2p0b n LEU 25 CO 0.44 0.00 0.63 -0.78 -1.33 0.00 0.00 177.39 176.35 2p0b h ASP 26 N 0.00 0.00 0.00 -1.43 3.58 -1.03 -3.38 116.42 114.16 2p0b h ASP 26 Ca 0.00 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 2p0b h ASP 26 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2p0b h ASP 26 CO 0.00 0.44 -1.41 0.00 -2.88 0.00 0.00 179.24 175.39 2p0b s HIS 28 N -2.14 3.12 -0.16 0.00 3.76 -0.44 -4.98 115.29 114.45 2p0b s HIS 28 Ca -0.10 1.57 -0.29 0.00 -0.15 0.00 0.00 55.06 56.09 2p0b s HIS 28 Cb 0.03 -2.98 -0.02 0.00 1.11 0.00 0.00 32.58 30.73 2p0b s HIS 28 CO 0.15 -0.64 1.29 0.15 -0.85 0.00 0.00 174.74 174.84 2p0b s LYS 29 N -3.40 4.23 0.48 1.40 1.02 -1.26 -4.51 119.74 117.70 2p0b s LYS 29 Ca 0.65 1.70 0.33 0.00 0.02 0.00 0.00 55.97 58.66 2p0b s LYS 29 Cb -0.14 -3.77 1.65 0.00 -0.52 0.00 0.00 37.83 35.05 2p0b s LYS 29 CO 0.21 -0.71 2.00 -1.35 -0.92 0.00 0.00 175.35 174.58 2p0b h PRO 30 N 8.27 0.00 0.00 -1.68 0.11 -1.88 0.86 132.00 137.67 2p0b h PRO 30 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2p0b h PRO 30 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2p0b h PRO 30 CO 0.97 0.00 -0.07 0.38 -0.21 0.00 0.00 178.00 179.07 2p0b h ASP 31 N 0.00 0.00 1.03 -2.05 2.03 -1.91 -3.17 116.42 112.35 2p0b h ASP 31 Ca 0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.16 2p0b h ASP 31 Cb 0.16 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.64 2p0b h ASP 31 CO 0.00 0.18 -0.68 0.71 -1.03 0.00 0.00 179.24 178.41 2p0b h THR 32 N -0.28 1.29 -0.42 1.15 1.35 -1.96 -3.01 112.91 111.03 2p0b h THR 32 Ca 0.00 -2.52 0.00 0.00 -0.55 0.00 0.00 66.41 63.34 2p0b h THR 32 Cb 0.07 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 2p0b h THR 32 CO 0.00 0.67 0.00 -0.62 -0.25 0.00 0.00 175.52 175.32 2p0b n GLU 33 N -3.44 2.47 -2.98 4.72 1.02 0.25 -4.89 120.64 117.79 2p0b n GLU 33 Ca 0.00 -2.18 -0.30 0.00 -0.02 0.00 0.00 57.16 54.66 2p0b n GLU 33 Cb 0.75 -1.41 -0.03 0.00 -0.02 0.00 0.00 31.44 30.72 2p0b n GLU 33 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2p0b s GLY 34 N -1.12 1.97 -0.49 0.62 0.00 -0.90 -4.83 107.32 102.56 2p0b s GLY 34 Ca 0.33 -0.25 -0.22 0.00 0.00 0.00 0.00 44.72 44.58 2p0b s GLY 34 CO 0.24 -0.08 0.74 -0.29 0.00 0.00 0.00 173.10 173.72 2p0b s MET 35 N -3.70 3.26 0.00 2.90 1.75 -1.26 -4.83 119.30 117.42 2p0b s MET 35 Ca 0.50 -0.46 0.01 0.00 -1.25 0.00 0.00 55.69 54.49 2p0b s MET 35 Cb -0.10 -4.02 0.02 0.00 2.84 0.00 0.00 34.83 33.56 2p0b s MET 35 CO 0.30 -1.22 0.74 0.72 -0.65 0.00 0.00 175.02 174.90 2p0b n HIS 36 N 6.64 0.02 -0.68 4.11 8.25 -0.55 -4.40 115.22 128.61 2p0b n HIS 36 Ca -0.02 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 2p0b n HIS 36 Cb 0.47 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.56 2p0b n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2p0b n GLY 37 N -0.11 -0.83 0.39 -1.41 0.00 -0.92 -4.13 105.19 98.19 2p0b n GLY 37 Ca 0.01 -1.67 0.19 0.00 0.00 0.00 0.00 46.02 44.55 2p0b n GLY 37 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2p0b h LYS 38 N 0.00 0.46 0.00 1.61 3.11 -1.83 -0.38 116.57 119.54 2p0b h LYS 38 Ca 0.00 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 2p0b h LYS 38 Cb 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.13 2p0b h LYS 38 CO 0.00 0.31 0.00 0.45 -2.81 0.00 0.00 179.45 177.40 2p0b h HIS 39 N 0.48 0.00 0.00 1.91 3.86 -1.92 -2.24 115.15 117.24 2p0b h HIS 39 Ca 0.53 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.72 2p0b h HIS 39 Cb 1.23 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.69 2p0b h HIS 39 CO -0.00 0.00 -0.09 0.00 0.86 0.00 0.00 177.93 178.70 2p0b h ALA 40 N 2.14 1.70 -0.07 2.45 0.00 -1.26 -3.24 119.26 120.96 2p0b h ALA 40 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2p0b h ALA 40 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2p0b h ALA 40 CO 0.00 0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.23 2p0b n SER 41 N -4.21 2.17 -4.88 0.00 3.41 -0.84 -4.91 113.62 104.35 2p0b n SER 41 Ca -0.03 -1.97 -0.21 0.00 -0.26 0.00 0.00 58.87 56.40 2p0b n SER 41 Cb 0.17 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 2p0b n SER 41 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2p0b s VAL 42 N -0.97 4.54 -0.12 -3.33 -7.23 -1.23 -5.07 120.40 107.00 2p0b s VAL 42 Ca 0.05 -1.24 -0.10 0.00 -1.81 0.00 0.00 61.98 58.88 2p0b s VAL 42 Cb 0.03 -3.51 -0.05 0.00 0.56 0.00 0.00 36.38 33.41 2p0b s VAL 42 CO 0.03 -0.31 0.20 -0.63 -0.31 0.00 0.00 175.10 174.09 2p0b s ILE 43 N -2.11 5.39 -0.16 -0.62 -1.09 -1.26 -2.77 121.20 118.57 2p0b s ILE 43 Ca 0.35 0.35 -0.29 0.00 -2.23 0.00 0.00 60.65 58.83 2p0b s ILE 43 Cb -0.08 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 2p0b s ILE 43 CO 0.27 0.55 1.79 0.21 -1.23 0.00 0.00 174.94 176.53 2p0b s ASN 44 N -0.59 6.24 0.29 3.58 3.84 0.42 -4.84 114.94 123.88 2p0b s ASN 44 Ca 0.15 1.90 0.24 0.00 0.21 0.00 0.00 52.86 55.36 2p0b s ASN 44 Cb -0.13 -2.53 1.05 0.00 -0.55 0.00 0.00 41.25 39.10 2p0b s ASN 44 CO 0.04 -1.33 1.71 -0.81 -2.79 0.00 0.00 177.10 173.93 2p0b n PRO 45 N 7.81 0.19 0.12 0.43 -0.04 -1.26 -0.40 135.00 141.84 2p0b n PRO 45 Ca 0.21 0.49 0.01 0.00 -0.04 0.00 0.00 63.50 64.17 2p0b n PRO 45 Cb 0.44 -1.91 -0.00 0.00 -0.04 0.00 0.00 33.50 31.99 2p0b n PRO 45 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2p0b h ASN 46 N 0.00 0.00 0.00 3.54 -0.26 -1.91 -3.39 115.58 113.56 2p0b h ASN 46 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2p0b h ASN 46 Cb 0.28 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 2p0b h ASN 46 CO 0.00 0.57 0.00 -0.46 -1.06 0.00 0.00 177.43 176.48 2p0b n ASN 47 N -3.21 0.06 -1.19 5.81 0.23 -1.07 -5.03 115.26 110.87 2p0b n ASN 47 Ca 0.01 -0.71 -0.15 0.00 -0.53 0.00 0.00 54.58 53.20 2p0b n ASN 47 Cb 0.77 0.03 -0.07 0.00 -2.08 0.00 0.00 39.78 38.43 2p0b n ASN 47 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2p0b n LYS 48 N -0.03 -1.12 -4.20 -3.83 4.76 0.46 -5.00 118.16 109.19 2p0b n LYS 48 Ca 0.00 1.04 -0.23 0.00 -2.87 0.00 0.00 58.31 56.25 2p0b n LYS 48 Cb 0.16 -5.22 -0.06 0.00 -1.84 0.00 0.00 35.03 28.07 2p0b n LYS 48 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2p0b s LEU 49 N -3.53 3.48 0.45 -0.35 1.43 -1.25 -4.84 118.68 114.07 2p0b s LEU 49 Ca 0.00 -0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 52.43 2p0b s LEU 49 Cb 0.00 -2.03 -0.09 0.00 0.03 0.00 0.00 46.19 44.10 2p0b s LEU 49 CO 0.00 0.01 1.21 -2.65 0.23 0.00 0.00 176.35 175.15 2p0b n PRO 50 N -0.84 1.73 -1.91 1.29 -0.02 -1.26 -0.44 135.00 133.55 2p0b n PRO 50 Ca -0.08 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 2p0b n PRO 50 Cb 0.58 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 2p0b n PRO 50 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2p0b s VAL 51 N -1.24 2.43 0.37 -1.45 1.01 -1.11 -4.65 120.40 115.75 2p0b s VAL 51 Ca 0.64 0.35 0.08 0.00 0.00 0.00 0.00 61.98 63.05 2p0b s VAL 51 Cb -0.50 -3.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 2p0b s VAL 51 CO 0.56 0.05 0.02 0.42 0.00 0.00 0.00 175.10 176.15 2p0b s THR 52 N 0.22 2.40 0.25 3.92 -4.23 -1.26 -4.96 115.64 111.97 2p0b s THR 52 Ca 0.63 -1.97 -0.04 0.00 -1.18 0.00 0.00 61.69 59.13 2p0b s THR 52 Cb -0.44 -2.84 0.23 0.00 1.34 0.00 0.00 72.50 70.78 2p0b s THR 52 CO 0.42 -0.13 1.71 0.00 -0.54 0.00 0.00 174.62 176.08 2p0b h THR 54 N 0.37 0.07 0.00 0.00 1.35 -1.94 -1.33 112.91 111.43 2p0b h THR 54 Ca 0.42 -0.64 -0.01 0.00 -0.55 0.00 0.00 66.41 65.63 2p0b h THR 54 Cb 0.69 1.60 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2p0b h THR 54 CO -0.45 0.03 -0.05 0.78 -0.25 0.00 0.00 175.52 175.57 2p0b h ASN 55 N 0.00 0.00 0.00 5.36 -0.26 -1.67 -0.27 115.58 118.74 2p0b h ASN 55 Ca -0.00 0.00 -0.28 0.00 -0.56 0.00 0.00 56.30 55.46 2p0b h ASN 55 Cb 0.59 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.80 2p0b h ASN 55 CO 0.00 0.05 -2.06 0.00 -1.06 0.00 0.00 177.43 174.37 2p0b n HIS 57 N -2.85 0.00 -4.29 0.00 8.25 -0.54 -4.71 115.22 111.09 2p0b n HIS 57 Ca -0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 2p0b n HIS 57 Cb 0.91 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.94 2p0b n HIS 57 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2p0b n GLY 58 N 1.45 -0.44 3.20 -1.41 0.00 -0.12 -0.55 105.19 107.33 2p0b n GLY 58 Ca 0.02 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 2p0b n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p0b s GLN 59 N 0.00 3.03 0.47 1.61 -1.52 -1.26 -4.38 119.66 117.61 2p0b s GLN 59 Ca 0.00 -0.87 -0.24 0.00 -1.95 0.00 0.00 55.36 52.30 2p0b s GLN 59 Cb 0.00 -2.34 -0.07 0.00 -0.22 0.00 0.00 33.01 30.37 2p0b s GLN 59 CO 0.00 0.11 1.32 -2.14 -0.25 0.00 0.00 175.29 174.33 2p0b s PRO 60 N 0.51 3.63 0.52 2.91 0.02 -1.26 -4.06 135.00 137.27 2p0b s PRO 60 Ca -0.15 2.17 0.03 0.00 0.02 0.00 0.00 61.00 63.08 2p0b s PRO 60 Cb -0.17 -2.53 0.03 0.00 0.02 0.00 0.00 34.50 31.85 2p0b s PRO 60 CO 0.05 -0.78 0.72 -1.54 -0.33 0.00 0.00 177.00 175.12 2p0b s SER 61 N -0.86 5.36 0.63 2.53 1.04 -1.26 -4.96 113.70 116.17 2p0b s SER 61 Ca 0.63 -0.14 0.31 0.00 0.48 0.00 0.00 55.95 57.24 2p0b s SER 61 Cb -0.38 -0.79 1.71 0.00 0.10 0.00 0.00 66.02 66.66 2p0b s SER 61 CO 0.48 -1.05 2.03 -0.65 0.98 0.00 0.00 173.24 175.03 2p0b h PRO 62 N 0.21 0.00 -0.58 4.02 0.11 -2.06 -1.53 132.00 132.17 2p0b h PRO 62 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2p0b h PRO 62 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2p0b h PRO 62 CO 0.50 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.33 2p0b n GLN 63 N -3.38 2.66 -0.21 1.05 3.00 -1.26 -4.69 117.38 114.54 2p0b n GLN 63 Ca 0.01 -1.89 0.00 0.00 -0.01 0.00 0.00 57.00 55.11 2p0b n GLN 63 Cb 0.38 -1.61 0.08 0.00 0.00 0.00 0.00 30.24 29.09 2p0b n GLN 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2p0b h HIS 64 N 2.82 -0.22 0.00 1.08 2.76 -1.65 -1.19 115.15 118.75 2p0b h HIS 64 Ca 0.00 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2p0b h HIS 64 Cb 0.95 0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.11 2p0b h HIS 64 CO 0.47 -0.24 0.00 0.54 -1.30 0.00 0.00 177.93 177.41 2p0b n ARG 65 N -5.37 0.13 0.03 5.26 1.74 -1.26 -2.06 116.66 115.12 2p0b n ARG 65 Ca 0.08 0.56 0.12 0.00 -0.77 0.00 0.00 57.85 57.84 2p0b n ARG 65 Cb 0.35 -1.86 0.28 0.00 -1.02 0.00 0.00 32.46 30.21 2p0b n ARG 65 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2p0b n GLU 66 N -2.12 0.14 -1.32 5.56 -0.58 -0.45 -5.00 120.64 116.88 2p0b n GLU 66 Ca -0.00 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 2p0b n GLU 66 Cb 0.08 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.35 2p0b n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2p0b n GLY 67 N 1.42 -0.76 3.42 0.62 0.00 -0.87 -5.12 105.19 103.90 2p0b n GLY 67 Ca 0.05 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 2p0b n GLY 67 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2p0b s VAL 68 N -0.77 0.77 -0.15 1.61 -7.23 -1.26 -5.04 120.40 108.32 2p0b s VAL 68 Ca 0.00 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.11 2p0b s VAL 68 Cb 0.00 -2.61 -0.21 0.00 0.56 0.00 0.00 36.38 34.13 2p0b s VAL 68 CO 0.00 0.00 3.46 0.29 -0.31 0.00 0.00 175.10 178.54 2p0b n LYS 69 N -0.68 2.16 -0.03 4.82 5.02 -1.26 -4.41 118.16 123.79 2p0b n LYS 69 Ca -0.02 -1.29 -0.02 0.00 -2.02 0.00 0.00 58.31 54.96 2p0b n LYS 69 Cb 0.66 -2.06 -0.01 0.00 -0.02 0.00 0.00 35.03 33.60 2p0b n LYS 69 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2p0b n ASP 70 N 2.27 0.72 -4.85 4.39 5.68 -1.26 -4.95 116.55 118.55 2p0b n ASP 70 Ca 0.46 0.38 -0.32 0.00 -0.50 0.00 0.00 54.79 54.81 2p0b n ASP 70 Cb 0.83 -0.64 -0.05 0.00 -1.14 0.00 0.00 41.12 40.11 2p0b n ASP 70 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 2p0b s VAL 71 N -1.51 4.67 0.35 2.12 -7.23 -1.26 -4.36 120.40 113.19 2p0b s VAL 71 Ca -0.06 0.94 -0.27 0.00 -1.81 0.00 0.00 61.98 60.77 2p0b s VAL 71 Cb 0.01 -3.64 -0.09 0.00 0.56 0.00 0.00 36.38 33.22 2p0b s VAL 71 CO 0.09 -0.30 1.15 -0.32 -0.31 0.00 0.00 175.10 175.41 2p0b s MET 72 N -3.26 4.29 -0.12 4.82 1.75 0.29 -5.02 119.30 122.04 2p0b s MET 72 Ca 0.54 1.84 0.02 0.00 -1.25 0.00 0.00 55.69 56.85 2p0b s MET 72 Cb -0.10 -2.87 0.01 0.00 2.84 0.00 0.00 34.83 34.71 2p0b s MET 72 CO 0.21 -0.12 -0.17 1.03 -0.65 0.00 0.00 175.02 175.32 2p0b s ARG 73 N -1.99 2.49 -0.10 4.11 0.52 -1.26 -4.78 118.95 117.94 2p0b s ARG 73 Ca 0.52 -0.66 -0.10 0.00 -0.52 0.00 0.00 55.73 54.97 2p0b s ARG 73 Cb -0.31 -2.09 -0.05 0.00 0.52 0.00 0.00 34.95 33.02 2p0b s ARG 73 CO 0.40 -0.06 0.24 -0.06 0.02 0.00 0.00 175.30 175.83 2p0b s PHE 74 N 0.98 3.60 -1.56 -0.53 0.08 -1.26 -4.38 117.98 114.90 2p0b s PHE 74 Ca -0.06 0.65 -0.03 0.00 0.12 0.00 0.00 56.93 57.62 2p0b s PHE 74 Cb -0.15 -2.12 0.01 0.00 -0.57 0.00 0.00 43.02 40.19 2p0b s PHE 74 CO -0.03 0.60 0.33 -1.71 -0.10 0.00 0.00 175.22 174.31 2p0b n ASN 75 N 2.31 -5.60 -4.34 1.36 4.05 -1.25 -5.01 115.26 106.79 2p0b n ASN 75 Ca -0.17 -0.15 -0.19 0.00 0.45 0.00 0.00 54.58 54.52 2p0b n ASN 75 Cb 0.54 -4.60 -0.10 0.00 1.23 0.00 0.00 39.78 36.85 2p0b n ASN 75 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2p0b s GLU 76 N -5.44 1.30 0.00 1.20 2.02 -1.13 -4.36 118.70 112.29 2p0b s GLU 76 Ca 0.18 -1.53 0.16 0.00 0.02 0.00 0.00 54.97 53.79 2p0b s GLU 76 Cb -0.08 -1.15 0.73 0.00 0.10 0.00 0.00 34.13 33.73 2p0b s GLU 76 CO 0.22 0.20 1.47 -0.35 0.02 0.00 0.00 175.26 176.82 2p0b n PRO 77 N -0.19 0.13 -0.15 0.39 -0.04 -1.26 -4.06 135.00 129.82 2p0b n PRO 77 Ca -0.09 0.18 -0.06 0.00 -0.04 0.00 0.00 63.50 63.49 2p0b n PRO 77 Cb 0.59 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.58 2p0b n PRO 77 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 2p0b h MET 78 N 0.00 0.49 -6.59 0.54 4.05 -1.92 -3.44 114.93 108.05 2p0b h MET 78 Ca 0.00 -0.03 -0.66 0.00 -0.28 0.00 0.00 59.70 58.73 2p0b h MET 78 Cb 0.20 -0.11 -0.16 0.00 -0.80 0.00 0.00 31.60 30.72 2p0b h MET 78 CO 0.00 0.32 -0.76 0.71 0.23 0.00 0.00 176.91 177.41 2p0b s TYR 79 N -6.15 2.61 0.70 1.39 2.02 -1.26 -5.12 117.35 111.54 2p0b s TYR 79 Ca -0.13 -0.23 -0.14 0.00 -0.37 0.00 0.00 57.07 56.21 2p0b s TYR 79 Cb 0.12 -1.34 0.02 0.00 -0.40 0.00 0.00 41.96 40.36 2p0b s TYR 79 CO 0.73 0.44 1.11 0.15 -1.57 0.00 0.00 175.55 176.41 2p0b s LYS 80 N -2.38 2.58 0.20 -0.62 1.02 -1.26 -4.81 119.74 114.47 2p0b s LYS 80 Ca 0.21 1.34 -0.12 0.00 0.02 0.00 0.00 55.97 57.42 2p0b s LYS 80 Cb -0.10 -1.93 0.25 0.00 -0.52 0.00 0.00 37.83 35.53 2p0b s LYS 80 CO 0.13 -1.41 1.66 0.28 -0.92 0.00 0.00 175.35 175.08 2p0b h VAL 81 N -0.35 0.49 -0.87 3.17 2.07 -1.91 -1.82 116.25 117.03 2p0b h VAL 81 Ca -0.46 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.04 2p0b h VAL 81 Cb 1.24 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2p0b h VAL 81 CO 0.53 0.01 0.58 1.23 0.02 0.00 0.00 177.57 179.94 2p0b h GLY 82 N 0.08 1.22 0.91 2.17 0.00 -1.85 0.71 103.07 106.30 2p0b h GLY 82 Ca 0.30 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2p0b h GLY 82 CO -0.53 0.45 0.09 0.83 0.00 0.00 0.00 176.54 177.37 2p0b h GLU 83 N 1.18 0.27 0.22 4.80 5.08 -1.75 -1.35 114.58 123.03 2p0b h GLU 83 Ca 0.32 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2p0b h GLU 83 Cb -0.14 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.07 2p0b h GLU 83 CO -0.07 0.31 -0.11 1.96 -1.00 0.00 0.00 179.01 180.10 2p0b h GLN 84 N 0.17 -0.29 0.00 2.33 4.20 -0.95 -3.16 115.11 117.42 2p0b h GLN 84 Ca 0.06 0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 2p0b h GLN 84 Cb 0.13 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2p0b h GLN 84 CO -0.01 -0.13 -0.36 -0.91 -0.67 0.00 0.00 178.83 176.75 2p0b h ASN 85 N -0.37 0.00 -0.80 1.46 4.21 -0.86 -2.89 115.58 116.32 2p0b h ASN 85 Ca -0.03 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.48 2p0b h ASN 85 Cb 0.29 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.45 2p0b h ASN 85 CO 0.05 0.36 0.52 0.28 -1.29 0.00 0.00 177.43 177.35 2p0b h SER 86 N 0.00 0.94 -0.47 5.81 0.02 -1.20 -2.40 113.55 116.24 2p0b h SER 86 Ca -0.00 -0.04 0.07 0.00 -0.84 0.00 0.00 61.79 60.98 2p0b h SER 86 Cb 0.65 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.90 2p0b h SER 86 CO 0.05 0.70 0.14 0.58 -1.14 0.00 0.00 176.83 177.15 2p0b h VAL 87 N 1.10 0.80 -0.86 2.27 2.07 -1.56 0.89 116.25 120.95 2p0b h VAL 87 Ca 0.29 -0.10 0.16 0.00 0.82 0.00 0.00 66.70 67.88 2p0b h VAL 87 Cb -0.10 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.09 2p0b h VAL 87 CO -0.06 0.05 0.56 0.00 0.02 0.00 0.00 177.57 178.15 2p0b n MET 89 N -4.53 1.35 0.17 0.00 2.81 0.28 -1.43 117.12 115.77 2p0b n MET 89 Ca 0.17 -0.52 0.14 0.00 -1.81 0.00 0.00 57.70 55.68 2p0b n MET 89 Cb 0.56 -1.36 0.51 0.00 -0.71 0.00 0.00 33.22 32.22 2p0b n MET 89 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2p0b h SER 90 N 1.07 0.00 0.00 7.83 4.64 -0.97 -3.38 113.55 122.74 2p0b h SER 90 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2p0b h SER 90 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2p0b h SER 90 CO 0.00 0.00 -0.87 0.00 -0.87 0.00 0.00 176.83 175.09 2p0b s HIS 92 N -1.90 3.49 -0.22 0.00 4.02 -0.52 -5.01 115.29 115.17 2p0b s HIS 92 Ca 0.00 1.30 -0.03 0.00 1.02 0.00 0.00 55.06 57.36 2p0b s HIS 92 Cb 0.00 -2.67 0.00 0.00 -1.02 0.00 0.00 32.58 28.89 2p0b s HIS 92 CO 0.00 -0.36 -0.08 -0.51 1.02 0.00 0.00 174.74 174.81 2p0b s LEU 93 N -4.25 2.76 0.35 0.89 1.43 -1.26 -4.59 118.68 114.01 2p0b s LEU 93 Ca 0.56 -0.51 0.09 0.00 -1.03 0.00 0.00 54.13 53.24 2p0b s LEU 93 Cb -0.10 -1.67 0.81 0.00 0.03 0.00 0.00 46.19 45.26 2p0b s LEU 93 CO 0.36 -0.03 1.86 -0.65 0.23 0.00 0.00 176.35 178.12 2p0b h PRO 94 N 8.06 0.68 -0.47 1.29 0.11 -1.97 -0.72 132.00 138.98 2p0b h PRO 94 Ca -0.41 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 2p0b h PRO 94 Cb 1.15 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 2p0b h PRO 94 CO 0.61 0.45 0.12 1.49 -0.21 0.00 0.00 178.00 180.46 2p0b h GLU 95 N 0.70 0.70 -0.10 1.05 4.81 -2.01 -2.15 114.58 117.59 2p0b h GLU 95 Ca 0.46 -0.13 -0.21 0.00 -0.13 0.00 0.00 59.36 59.35 2p0b h GLU 95 Cb 0.74 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2p0b h GLU 95 CO -0.22 0.63 -0.78 1.96 -0.73 0.00 0.00 179.01 179.88 2p0b h GLN 96 N 0.69 0.58 -0.93 1.92 1.08 -1.61 -3.04 115.11 113.81 2p0b h GLN 96 Ca 0.16 -0.49 0.08 0.00 -1.45 0.00 0.00 58.65 56.94 2p0b h GLN 96 Cb 0.24 0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.72 2p0b h GLN 96 CO -0.00 1.12 0.60 -0.07 -0.95 0.00 0.00 178.83 179.52 2p0b h LEU 97 N 0.39 0.91 -0.96 1.46 3.38 -0.82 -1.69 115.31 117.98 2p0b h LEU 97 Ca -0.05 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2p0b h LEU 97 Cb 1.39 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 2p0b h LEU 97 CO 0.15 0.57 0.63 1.56 0.09 0.00 0.00 178.44 181.44 2p0b h GLN 98 N 1.03 1.22 0.00 1.13 1.08 -1.32 -1.03 115.11 117.22 2p0b h GLN 98 Ca 0.41 -0.07 -0.12 0.00 -1.45 0.00 0.00 58.65 57.42 2p0b h GLN 98 Cb 0.26 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 2p0b h GLN 98 CO -0.17 0.81 -0.57 0.87 -0.95 0.00 0.00 178.83 178.82 2p0b h LYS 99 N 1.26 0.00 -0.11 1.46 1.57 -1.23 -3.08 116.57 116.45 2p0b h LYS 99 Ca 0.37 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.94 2p0b h LYS 99 Cb -0.07 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.25 2p0b h LYS 99 CO -0.10 0.57 -0.75 0.00 -0.57 0.00 0.00 179.45 178.60 2p0b h ALA 100 N 1.43 0.23 -0.67 3.86 0.00 -0.90 -3.46 119.26 119.75 2p0b h ALA 100 Ca -0.01 -0.59 0.16 0.00 0.00 0.00 0.00 54.91 54.47 2p0b h ALA 100 Cb 1.02 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.60 2p0b h ALA 100 CO 0.07 0.59 -0.08 0.12 0.00 0.00 0.00 179.25 179.96 2p0b s PHE 101 N -3.63 -1.09 0.20 0.00 5.36 -0.43 -5.08 117.98 113.31 2p0b s PHE 101 Ca -0.11 1.15 -0.13 0.00 -0.96 0.00 0.00 56.93 56.88 2p0b s PHE 101 Cb 0.07 0.38 0.23 0.00 -0.34 0.00 0.00 43.02 43.36 2p0b s PHE 101 CO 0.89 -0.60 1.66 2.35 -1.46 0.00 0.00 175.22 178.06 2p0b h TRP 102 N 7.99 -0.12 0.00 10.12 7.01 -1.79 -2.74 115.95 136.43 2p0b h TRP 102 Ca -0.18 0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.86 2p0b h TRP 102 Cb 1.17 0.14 0.00 0.00 -2.10 0.00 0.00 29.16 28.37 2p0b h TRP 102 CO 0.09 -0.17 0.21 -2.30 -2.79 0.00 0.00 178.44 173.48 2p0b n PRO 103 N -5.30 0.06 -0.09 2.65 -0.02 -1.26 -3.36 135.00 127.68 2p0b n PRO 103 Ca 0.07 0.48 -0.07 0.00 -2.02 0.00 0.00 63.50 61.95 2p0b n PRO 103 Cb 0.31 -1.90 -0.01 0.00 -0.02 0.00 0.00 33.50 31.88 2p0b n PRO 103 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2p0b h HIS 104 N 0.00 -0.72 -0.37 6.00 3.86 -1.79 -3.05 115.15 119.09 2p0b h HIS 104 Ca 0.00 0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.31 2p0b h HIS 104 Cb 0.43 0.37 -0.05 0.00 1.06 0.00 0.00 27.41 29.21 2p0b h HIS 104 CO 0.00 -0.34 0.06 0.22 0.86 0.00 0.00 177.93 178.73 2p0b h ASP 105 N -0.23 -0.01 0.32 2.45 3.58 -1.84 -0.54 116.42 120.15 2p0b h ASP 105 Ca 0.16 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 2p0b h ASP 105 Cb 0.49 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.63 2p0b h ASP 105 CO -0.47 0.03 -0.03 -0.37 -2.88 0.00 0.00 179.24 175.53 2p0b h VAL 106 N 0.18 0.17 0.00 2.25 -1.51 -1.80 -2.58 116.25 112.96 2p0b h VAL 106 Ca 0.18 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 2p0b h VAL 106 Cb 0.21 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 2p0b h VAL 106 CO -0.24 0.03 -1.10 1.41 -1.23 0.00 0.00 177.57 176.43 2p0b n HIS 107 N -3.28 0.07 -0.32 5.19 8.25 -0.28 -4.34 115.22 120.51 2p0b n HIS 107 Ca -0.02 0.02 0.06 0.00 -0.26 0.00 0.00 57.72 57.52 2p0b n HIS 107 Cb 0.16 -0.22 0.21 0.00 1.12 0.00 0.00 29.99 31.26 2p0b n HIS 107 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2p0b h VAL 108 N 0.00 0.88 -0.11 1.59 2.07 -0.94 -0.90 116.25 118.84 2p0b h VAL 108 Ca 0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2p0b h VAL 108 Cb 0.64 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2p0b h VAL 108 CO 0.00 0.16 0.00 0.35 0.02 0.00 0.00 177.57 178.10 2p0b n THR 109 N -4.71 0.11 -0.03 2.57 -2.24 -1.26 -4.68 114.28 104.04 2p0b n THR 109 Ca 0.17 -0.56 -0.04 0.00 -2.27 0.00 0.00 64.05 61.35 2p0b n THR 109 Cb 0.34 1.39 -0.04 0.00 -2.10 0.00 0.00 70.33 69.91 2p0b n THR 109 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2p0b n LYS 110 N 1.39 2.14 -3.89 -0.78 4.76 -0.42 -4.65 118.16 116.70 2p0b n LYS 110 Ca 0.15 0.01 -0.11 0.00 -2.87 0.00 0.00 58.31 55.49 2p0b n LYS 110 Cb 0.60 -1.15 -0.12 0.00 -1.84 0.00 0.00 35.03 32.53 2p0b n LYS 110 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2p0b s VAL 111 N -2.14 0.05 0.16 -0.18 0.11 -0.72 -4.80 120.40 112.88 2p0b s VAL 111 Ca -0.05 -0.44 -0.34 0.00 -2.93 0.00 0.00 61.98 58.22 2p0b s VAL 111 Cb 0.02 -0.24 -0.14 0.00 -1.53 0.00 0.00 36.38 34.49 2p0b s VAL 111 CO 0.22 -0.24 1.56 0.00 -3.33 0.00 0.00 175.10 173.30 2p0b n ALA 112 N 2.21 1.29 -0.35 1.54 0.00 -0.43 -4.73 120.51 120.03 2p0b n ALA 112 Ca -0.18 0.45 0.11 0.00 0.00 0.00 0.00 53.44 53.81 2p0b n ALA 112 Cb 0.57 -2.34 0.29 0.00 0.00 0.00 0.00 19.45 17.98 2p0b n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2p0b n ALA 114 N -2.34 2.58 -0.05 0.00 0.00 -1.26 -1.78 120.51 117.65 2p0b n ALA 114 Ca 0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 53.44 53.48 2p0b n ALA 114 Cb 0.51 -1.39 0.22 0.00 0.00 0.00 0.00 19.45 18.78 2p0b n ALA 114 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2p0b h SER 115 N 0.00 0.62 0.00 0.00 4.64 -1.50 -3.36 113.55 113.95 2p0b h SER 115 Ca 0.00 -0.15 -0.20 0.00 -0.47 0.00 0.00 61.79 60.97 2p0b h SER 115 Cb 0.00 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 61.90 2p0b h SER 115 CO 0.00 0.71 -1.44 0.00 -0.87 0.00 0.00 176.83 175.23 2p0b s HIS 117 N -2.51 3.59 -0.18 0.00 3.76 -0.74 -4.59 115.29 114.63 2p0b s HIS 117 Ca -0.29 1.74 0.00 0.00 -0.15 0.00 0.00 55.06 56.36 2p0b s HIS 117 Cb 0.07 -2.90 0.04 0.00 1.11 0.00 0.00 32.58 30.90 2p0b s HIS 117 CO 0.45 0.13 -0.10 -1.54 -0.85 0.00 0.00 174.74 172.82 2p0b s SER 118 N -1.77 3.08 -0.10 1.40 1.04 -1.26 -4.41 113.70 111.68 2p0b s SER 118 Ca 0.53 -0.73 0.18 0.00 0.48 0.00 0.00 55.95 56.41 2p0b s SER 118 Cb -0.16 -1.14 -0.25 0.00 0.10 0.00 0.00 66.02 64.58 2p0b s SER 118 CO 0.21 -0.13 0.35 0.18 0.98 0.00 0.00 173.24 174.83 2p0b n LEU 119 N 4.75 0.24 0.01 2.42 4.77 -1.26 -4.16 117.00 123.77 2p0b n LEU 119 Ca -0.14 0.11 -0.17 0.00 -0.03 0.00 0.00 56.01 55.77 2p0b n LEU 119 Cb 0.48 0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 41.78 2p0b n LEU 119 CO 0.19 0.31 0.22 0.45 -1.33 0.00 0.00 177.39 177.24 2p0b h HIS 120 N 0.00 0.99 -3.62 -1.77 3.86 -1.93 -3.14 115.15 109.55 2p0b h HIS 120 Ca -0.34 -0.47 -0.45 0.00 -1.16 0.00 0.00 60.37 57.95 2p0b h HIS 120 Cb 1.83 -0.14 0.18 0.00 1.06 0.00 0.00 27.41 30.35 2p0b h HIS 120 CO 0.00 1.30 0.11 -2.14 0.86 0.00 0.00 177.93 178.06 2p0b s PRO 121 N -3.60 -0.15 0.55 2.45 0.02 -1.26 -1.49 135.00 131.52 2p0b s PRO 121 Ca -0.09 0.73 0.26 0.00 0.02 0.00 0.00 61.00 61.91 2p0b s PRO 121 Cb 0.08 -1.65 1.57 0.00 0.02 0.00 0.00 34.50 34.53 2p0b s PRO 121 CO 0.90 -3.18 2.17 1.96 -0.33 0.00 0.00 177.00 178.52 2p0b h GLN 122 N -2.22 0.00 -4.22 5.54 4.20 -1.91 -2.44 115.11 114.06 2p0b h GLN 122 Ca -0.57 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 57.92 2p0b h GLN 122 Cb 1.33 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.89 2p0b h GLN 122 CO 0.53 0.05 -0.72 -0.65 -0.67 0.00 0.00 178.83 177.38 2p0b s GLN 123 N -4.56 0.39 -0.31 1.46 -1.52 -1.26 -4.59 119.66 109.26 2p0b s GLN 123 Ca -0.04 -0.61 -0.12 0.00 -1.95 0.00 0.00 55.36 52.63 2p0b s GLN 123 Cb 0.15 -0.09 -0.03 0.00 -0.22 0.00 0.00 33.01 32.82 2p0b s GLN 123 CO 0.59 0.00 0.24 0.34 -0.25 0.00 0.00 175.29 176.21 2p0b s ASP 124 N -1.36 6.07 0.52 5.90 2.15 -1.26 -4.92 116.67 123.77 2p0b s ASP 124 Ca -0.12 -0.20 0.24 0.00 0.43 0.00 0.00 52.55 52.90 2p0b s ASP 124 Cb -0.09 -2.14 1.35 0.00 -0.30 0.00 0.00 42.92 41.73 2p0b s ASP 124 CO -0.00 -0.17 1.99 0.74 -0.17 0.00 0.00 175.17 177.56 2p0b h THR 125 N 5.44 0.75 -0.23 1.71 2.02 -1.88 -0.61 112.91 120.12 2p0b h THR 125 Ca -0.33 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 66.84 2p0b h THR 125 Cb 1.17 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2p0b h THR 125 CO 0.61 0.01 0.15 0.24 0.37 0.00 0.00 175.52 176.90 2p0b h MET 126 N 0.06 0.28 0.00 6.66 2.86 -1.94 -2.56 114.93 120.29 2p0b h MET 126 Ca 0.26 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2p0b h MET 126 Cb 0.96 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.55 2p0b h MET 126 CO -0.02 0.18 0.00 1.96 1.06 0.00 0.00 176.91 180.10 2p0b h GLN 127 N 0.29 0.00 -0.05 1.72 1.08 -1.53 -3.24 115.11 113.38 2p0b h GLN 127 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2p0b h GLN 127 Cb -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2p0b h GLN 127 CO -0.02 0.00 0.00 -2.37 -0.95 0.00 0.00 178.83 175.49 2p0b n THR 128 N -2.54 0.79 -1.80 -0.54 5.66 -0.98 -5.05 114.28 109.83 2p0b n THR 128 Ca 0.04 -0.89 -0.39 0.00 -3.05 0.00 0.00 64.05 59.75 2p0b n THR 128 Cb 0.37 0.62 0.03 0.00 -1.55 0.00 0.00 70.33 69.79 2p0b n THR 128 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2p0b s LEU 129 N -0.83 4.00 0.91 1.09 1.43 -1.13 -5.00 118.68 119.14 2p0b s LEU 129 Ca 0.04 2.84 -0.12 0.00 -1.03 0.00 0.00 54.13 55.87 2p0b s LEU 129 Cb 0.02 -4.09 0.13 0.00 0.03 0.00 0.00 46.19 42.29 2p0b s LEU 129 CO 0.03 -1.35 1.10 -0.94 0.23 0.00 0.00 176.35 175.42 2p0b s SER 130 N -0.71 3.43 0.24 2.29 1.04 -1.26 -4.80 113.70 113.92 2p0b s SER 130 Ca 0.66 1.34 -0.05 0.00 0.48 0.00 0.00 55.95 58.38 2p0b s SER 130 Cb -0.42 -2.02 0.39 0.00 0.10 0.00 0.00 66.02 64.08 2p0b s SER 130 CO 0.52 -2.65 1.79 0.44 0.98 0.00 0.00 173.24 174.33 2p0b h ASP 131 N -1.56 0.59 -0.40 7.02 3.32 -1.99 -0.57 116.42 122.83 2p0b h ASP 131 Ca -0.50 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 2p0b h ASP 131 Cb 1.30 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 2p0b h ASP 131 CO 0.57 0.33 0.20 0.11 -1.72 0.00 0.00 179.24 178.72 2p0b h LYS 132 N 0.71 0.58 -0.19 3.56 1.57 -2.01 -2.96 116.57 117.83 2p0b h LYS 132 Ca 0.39 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 59.05 2p0b h LYS 132 Cb 0.39 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2p0b h LYS 132 CO -0.27 0.50 -0.04 0.78 -0.57 0.00 0.00 179.45 179.85 2p0b h GLY 133 N 0.51 0.30 2.00 3.86 0.00 -1.75 -1.21 103.07 106.78 2p0b h GLY 133 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2p0b h GLY 133 CO -0.02 0.15 0.00 -2.13 0.00 0.00 0.00 176.54 174.54 2p0b n ARG 134 N -4.34 0.03 -0.10 4.80 0.63 -0.28 -2.08 116.66 115.32 2p0b n ARG 134 Ca -0.00 0.16 -0.11 0.00 -0.92 0.00 0.00 57.85 56.97 2p0b n ARG 134 Cb 0.21 -1.55 -0.13 0.00 0.45 0.00 0.00 32.46 31.44 2p0b n ARG 134 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2p0b n ILE 135 N -1.60 1.28 -0.03 5.15 5.41 -0.88 -4.52 119.36 124.18 2p0b n ILE 135 Ca 0.05 -0.70 -0.01 0.00 1.00 0.00 0.00 62.75 63.09 2p0b n ILE 135 Cb 0.26 -0.75 0.28 0.00 -0.71 0.00 0.00 39.64 38.72 2p0b n ILE 135 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2p0b h LYS 136 N 0.00 0.59 -0.72 0.38 3.64 -0.87 -2.14 116.57 117.45 2p0b h LYS 136 Ca -0.50 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 58.77 2p0b h LYS 136 Cb 2.04 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 33.73 2p0b h LYS 136 CO -0.00 0.59 0.48 -0.84 -2.27 0.00 0.00 179.45 177.40 2p0b h ILE 137 N 0.56 1.15 0.05 2.00 3.07 -1.65 0.12 117.51 122.81 2p0b h ILE 137 Ca 0.12 -0.32 -0.00 0.00 1.55 0.00 0.00 64.86 66.21 2p0b h ILE 137 Cb 0.32 0.14 0.00 0.00 -0.27 0.00 0.00 36.82 37.00 2p0b h ILE 137 CO 0.01 0.17 -0.02 0.00 -1.05 0.00 0.00 178.15 177.26 2p0b h VAL 139 N -0.19 1.04 -0.18 0.00 2.07 -1.24 -1.05 116.25 116.70 2p0b h VAL 139 Ca -0.01 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.45 2p0b h VAL 139 Cb 0.17 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2p0b h VAL 139 CO 0.01 0.03 0.05 0.44 0.02 0.00 0.00 177.57 178.13 2p0b h ASP 140 N 0.13 0.04 0.07 0.57 3.32 -0.70 0.76 116.42 120.62 2p0b h ASP 140 Ca 0.04 0.02 -0.25 0.00 0.02 0.00 0.00 57.03 56.86 2p0b h ASP 140 Cb -0.00 0.02 0.02 0.00 0.22 0.00 0.00 39.33 39.59 2p0b h ASP 140 CO -0.01 0.05 -1.01 0.00 -1.72 0.00 0.00 179.24 176.56 2p0b h HIS 142 N 0.13 0.88 -0.48 0.00 3.86 -1.13 -1.30 115.15 117.11 2p0b h HIS 142 Ca -0.15 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 58.95 2p0b h HIS 142 Cb 1.70 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 29.89 2p0b h HIS 142 CO 0.13 0.73 0.15 1.03 0.86 0.00 0.00 177.93 180.83 2p0b h SER 143 N 0.83 0.70 -0.84 2.45 0.87 -0.86 -2.59 113.55 114.11 2p0b h SER 143 Ca 0.18 -0.21 0.03 0.00 -1.23 0.00 0.00 61.79 60.56 2p0b h SER 143 Cb 0.28 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.02 2p0b h SER 143 CO -0.00 0.72 0.55 -0.78 -0.53 0.00 0.00 176.83 176.79 2p0b h ASP 144 N 0.64 0.91 -0.02 6.23 3.58 -0.82 -0.58 116.42 126.36 2p0b h ASP 144 Ca 0.15 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.59 2p0b h ASP 144 Cb 0.27 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 2p0b h ASP 144 CO -0.00 0.64 0.01 1.56 -2.88 0.00 0.00 179.24 178.57 2p0b h GLN 145 N 1.06 0.00 0.00 0.28 4.20 -0.87 0.13 115.11 119.91 2p0b h GLN 145 Ca 0.32 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.94 2p0b h GLN 145 Cb -0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2p0b h GLN 145 CO -0.09 0.00 -0.66 0.00 -0.67 0.00 0.00 178.83 177.41 2p0b h ARG 146 N 0.00 0.00 -0.00 1.46 3.08 -0.86 -3.39 114.38 114.67 2p0b h ARG 146 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2p0b h ARG 146 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2p0b h ARG 146 CO -0.00 0.34 -0.06 0.25 -1.07 0.00 0.00 179.97 179.43 2p0b n THR 147 N -3.09 0.00 -3.79 2.04 -2.24 -0.82 -4.96 114.28 101.42 2p0b n THR 147 Ca -0.00 -0.47 -0.36 0.00 -2.27 0.00 0.00 64.05 60.94 2p0b n THR 147 Cb 0.71 1.01 -0.12 0.00 -2.10 0.00 0.00 70.33 69.83 2p0b n THR 147 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2p0b s ASN 148 N -0.96 5.21 0.64 3.42 2.47 0.39 -4.96 114.94 121.15 2p0b s ASN 148 Ca 0.01 -1.67 0.42 0.00 0.42 0.00 0.00 52.86 52.03 2p0b s ASN 148 Cb 0.01 -1.82 2.19 0.00 -1.45 0.00 0.00 41.25 40.18 2p0b s ASN 148 CO 0.06 -0.45 2.29 -0.65 -3.72 0.00 0.00 177.10 174.63 2p0b h PRO 149 N 8.10 0.00 -0.48 0.43 0.11 -1.91 -1.90 132.00 136.35 2p0b h PRO 149 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2p0b h PRO 149 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2p0b h PRO 149 CO 0.65 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.54 2p0b n ASN 150 N -3.14 3.18 -4.66 -2.05 5.03 -1.26 -4.98 115.26 107.38 2p0b n ASN 150 Ca -0.02 -1.96 -0.46 0.00 0.87 0.00 0.00 54.58 53.00 2p0b n ASN 150 Cb 0.12 -0.32 -0.04 0.00 -1.02 0.00 0.00 39.78 38.52 2p0b n ASN 150 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 2p0b n PHE 151 N 1.26 2.12 -3.75 3.10 7.35 -0.72 -4.97 117.46 121.86 2p0b n PHE 151 Ca 0.20 0.39 -0.26 0.00 -0.76 0.00 0.00 57.45 57.02 2p0b n PHE 151 Cb 0.53 -2.48 -0.17 0.00 0.35 0.00 0.00 39.48 37.71 2p0b n PHE 151 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2p0b s ASN 152 N 0.55 2.29 0.39 -2.13 3.84 -1.26 -5.02 114.94 113.61 2p0b s ASN 152 Ca 0.74 -0.48 0.28 0.00 0.21 0.00 0.00 52.86 53.61 2p0b s ASN 152 Cb -0.69 -0.52 1.30 0.00 -0.55 0.00 0.00 41.25 40.78 2p0b s ASN 152 CO 0.45 -0.25 1.85 1.55 -2.79 0.00 0.00 177.10 177.90 2p0b h PRO 153 N 8.29 0.00 0.00 0.43 0.13 -1.93 -1.52 132.00 137.39 2p0b h PRO 153 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2p0b h PRO 153 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2p0b h PRO 153 CO 0.30 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.07 2p0b h ALA 154 N 2.11 1.00 -1.52 -0.56 0.00 -1.89 -1.14 119.26 117.27 2p0b h ALA 154 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2p0b h ALA 154 Cb 0.27 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.80 2p0b h ALA 154 CO 0.00 0.00 -0.50 0.45 0.00 0.00 0.00 179.25 179.20 2p0b s SER 155 N -5.69 -0.13 -0.27 0.00 0.15 -0.57 -2.83 113.70 104.36 2p0b s SER 155 Ca 0.06 -0.33 0.02 0.00 0.70 0.00 0.00 55.95 56.40 2p0b s SER 155 Cb 0.07 1.34 0.07 0.00 -1.71 0.00 0.00 66.02 65.79 2p0b s SER 155 CO 0.61 -0.33 -0.06 -0.69 1.20 0.00 0.00 173.24 173.96 2p0b s VAL 156 N 2.53 1.98 -1.47 4.45 1.01 -1.25 -4.35 120.40 123.30 2p0b s VAL 156 Ca 0.10 -1.64 0.29 0.00 0.00 0.00 0.00 61.98 60.73 2p0b s VAL 156 Cb -0.12 -2.20 0.43 0.00 0.00 0.00 0.00 36.38 34.49 2p0b s VAL 156 CO -0.27 -0.16 1.91 -0.81 0.00 0.00 0.00 175.10 175.76 2p0b n PRO 157 N 4.47 0.49 -0.21 2.72 -0.04 -1.26 -4.57 135.00 136.60 2p0b n PRO 157 Ca -0.10 -0.11 0.01 0.00 -0.04 0.00 0.00 63.50 63.26 2p0b n PRO 157 Cb 0.43 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.51 2p0b n PRO 157 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2p0b h LEU 158 N 0.28 0.08 -0.40 1.53 3.38 -1.94 -1.25 115.31 116.98 2p0b h LEU 158 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2p0b h LEU 158 Cb 0.35 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2p0b h LEU 158 CO 0.00 0.04 -0.08 0.18 0.09 0.00 0.00 178.44 178.67 2p0b n LEU 159 N -5.09 0.71 -0.45 1.67 4.77 -1.26 -5.12 117.00 112.22 2p0b n LEU 159 Ca 0.10 -0.15 0.14 0.00 -0.03 0.00 0.00 56.01 56.07 2p0b n LEU 159 Cb 0.34 -0.10 0.55 0.00 -2.33 0.00 0.00 43.42 41.88 2p0b n LEU 159 CO 0.18 0.12 0.89 0.29 -1.33 0.00 0.00 177.39 177.54