#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bpi s ILE 2 N 0.00 4.61 0.04 1.34 1.09 -1.26 -5.01 121.20 122.01 2bpi s ILE 2 Ca 0.00 1.85 0.05 0.00 -1.10 0.00 0.00 60.65 61.45 2bpi s ILE 2 Cb 0.00 -4.34 -0.03 0.00 -1.06 0.00 0.00 42.46 37.02 2bpi s ILE 2 CO 0.00 -0.31 -0.12 -0.89 -0.10 0.00 0.00 174.94 173.52 2bpi s THR 3 N 3.38 3.26 -0.36 2.92 2.01 -1.26 -4.92 115.64 120.68 2bpi s THR 3 Ca 0.44 -1.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 2bpi s THR 3 Cb -0.14 -2.42 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 2bpi s THR 3 CO 0.10 0.32 1.66 -0.22 -0.69 0.00 0.00 174.62 175.79 2bpi s LEU 4 N -1.58 3.53 0.60 4.42 2.96 -1.26 -4.98 118.68 122.37 2bpi s LEU 4 Ca 0.17 1.13 -0.20 0.00 -0.22 0.00 0.00 54.13 55.02 2bpi s LEU 4 Cb -0.11 -3.52 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 2bpi s LEU 4 CO 0.08 -1.61 1.32 -2.84 -1.32 0.00 0.00 176.35 171.98 2bpi s PRO 5 N 5.40 2.80 0.42 0.98 0.02 -1.26 -4.95 135.00 138.41 2bpi s PRO 5 Ca 0.73 2.14 -0.22 0.00 0.02 0.00 0.00 61.00 63.66 2bpi s PRO 5 Cb -0.19 -2.02 -0.09 0.00 0.02 0.00 0.00 34.50 32.22 2bpi s PRO 5 CO 0.33 -1.42 1.01 0.21 -0.33 0.00 0.00 177.00 176.80 2bpi s LYS 6 N -3.18 4.13 0.54 5.54 2.47 -1.26 -5.02 119.74 122.96 2bpi s LYS 6 Ca 0.78 1.35 -0.20 0.00 -1.56 0.00 0.00 55.97 56.34 2bpi s LYS 6 Cb -0.39 -2.36 -0.05 0.00 -1.46 0.00 0.00 37.83 33.57 2bpi s LYS 6 CO 0.43 -0.14 1.17 -0.51 0.16 0.00 0.00 175.35 176.46 2bpi s LEU 7 N -2.94 3.78 0.00 5.43 1.02 -1.26 -4.95 118.68 119.75 2bpi s LEU 7 Ca 0.61 2.30 0.16 0.00 0.02 0.00 0.00 54.13 57.21 2bpi s LEU 7 Cb -0.17 -4.51 0.46 0.00 0.02 0.00 0.00 46.19 41.99 2bpi s LEU 7 CO 0.21 -1.31 1.37 0.29 0.02 0.00 0.00 176.35 176.94 2bpi n LYS 8 N -1.23 2.01 -3.84 1.70 5.02 -1.26 -4.95 118.16 115.61 2bpi n LYS 8 Ca 0.11 -1.56 -0.08 0.00 -2.02 0.00 0.00 58.31 54.77 2bpi n LYS 8 Cb 0.50 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 2bpi n LYS 8 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2bpi s TYR 9 N -1.48 -0.08 0.67 2.13 -0.85 -1.26 -5.04 117.35 111.44 2bpi s TYR 9 Ca 0.31 -0.32 -0.12 0.00 -0.52 0.00 0.00 57.07 56.41 2bpi s TYR 9 Cb 0.16 0.52 -0.00 0.00 0.38 0.00 0.00 41.96 43.02 2bpi s TYR 9 CO 0.22 -1.10 1.06 0.00 -1.52 0.00 0.00 175.55 174.21 2bpi s ALA 10 N -3.92 2.66 0.59 9.51 0.00 -1.26 -4.93 121.76 124.41 2bpi s ALA 10 Ca 0.13 0.22 0.29 0.00 0.00 0.00 0.00 51.96 52.59 2bpi s ALA 10 Cb -0.04 -3.21 1.46 0.00 0.00 0.00 0.00 23.12 21.34 2bpi s ALA 10 CO 0.04 -1.14 1.87 -0.07 0.00 0.00 0.00 175.76 176.47 2bpi h LEU 11 N -0.36 0.00 -0.63 0.00 4.07 -1.98 -0.79 115.31 115.62 2bpi h LEU 11 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.51 2bpi h LEU 11 Cb 1.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 2bpi h LEU 11 CO 0.56 0.00 -0.25 -0.46 -1.08 0.00 0.00 178.44 177.22 2bpi n ASN 12 N -3.65 1.23 0.30 -0.43 6.94 -1.26 -4.00 115.26 114.39 2bpi n ASN 12 Ca 0.08 -1.06 0.19 0.00 -0.02 0.00 0.00 54.58 53.78 2bpi n ASN 12 Cb 0.69 0.15 0.88 0.00 -2.36 0.00 0.00 39.78 39.14 2bpi n ASN 12 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2bpi h ALA 13 N 3.81 1.02 -0.16 -2.53 0.00 -1.49 -2.75 119.26 117.15 2bpi h ALA 13 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bpi h ALA 13 Cb 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2bpi h ALA 13 CO 0.00 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2bpi n LEU 14 N -3.13 3.07 -4.75 0.00 4.77 -1.26 -4.20 117.00 111.51 2bpi n LEU 14 Ca -0.01 -1.20 -0.34 0.00 -0.03 0.00 0.00 56.01 54.43 2bpi n LEU 14 Cb 0.22 -0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 2bpi n LEU 14 CO 0.25 0.58 0.77 -0.44 -1.33 0.00 0.00 177.39 177.22 2bpi s SER 15 N -1.70 4.69 0.00 -1.43 0.01 -1.01 -1.16 113.70 113.10 2bpi s SER 15 Ca 0.30 2.18 0.01 0.00 1.31 0.00 0.00 55.95 59.76 2bpi s SER 15 Cb 0.20 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.92 2bpi s SER 15 CO 0.29 -1.92 0.76 -0.81 0.41 0.00 0.00 173.24 171.97 2bpi n PRO 16 N -2.50 0.72 -0.03 12.44 -0.04 -1.26 -4.88 135.00 139.44 2bpi n PRO 16 Ca 0.12 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 2bpi n PRO 16 Cb 0.51 -1.02 -0.09 0.00 -0.04 0.00 0.00 33.50 32.85 2bpi n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2bpi h HIS 17 N 0.00 0.31 -4.20 0.54 3.86 -1.48 -3.41 115.15 110.77 2bpi h HIS 17 Ca 0.00 -0.13 -0.59 0.00 -1.16 0.00 0.00 60.37 58.49 2bpi h HIS 17 Cb 0.00 -0.05 -0.30 0.00 1.06 0.00 0.00 27.41 28.12 2bpi h HIS 17 CO 0.00 0.81 -0.85 0.42 0.86 0.00 0.00 177.93 179.17 2bpi s ILE 18 N -3.76 1.57 0.56 2.45 1.01 -0.63 -4.85 121.20 117.54 2bpi s ILE 18 Ca -0.15 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 59.60 2bpi s ILE 18 Cb 0.03 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 2bpi s ILE 18 CO 0.74 0.45 0.91 -0.94 0.00 0.00 0.00 174.94 176.09 2bpi s SER 19 N -0.27 6.07 0.20 3.58 1.04 -1.26 -2.41 113.70 120.65 2bpi s SER 19 Ca 0.03 1.06 -0.11 0.00 0.48 0.00 0.00 55.95 57.41 2bpi s SER 19 Cb -0.09 -2.20 0.17 0.00 0.10 0.00 0.00 66.02 64.00 2bpi s SER 19 CO 0.01 -0.81 1.84 -0.08 0.98 0.00 0.00 173.24 175.17 2bpi h GLU 20 N -0.08 0.77 -0.27 4.02 4.81 -1.89 -1.95 114.58 119.99 2bpi h GLU 20 Ca -0.46 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 58.79 2bpi h GLU 20 Cb 1.21 -0.17 -0.07 0.00 0.63 0.00 0.00 28.75 30.34 2bpi h GLU 20 CO 0.62 0.51 -0.26 1.49 -0.73 0.00 0.00 179.01 180.64 2bpi h GLU 21 N 0.80 -0.24 0.35 1.92 4.81 -1.94 -0.18 114.58 120.09 2bpi h GLU 21 Ca 0.26 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2bpi h GLU 21 Cb 0.02 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2bpi h GLU 21 CO -0.11 -0.16 -0.38 1.15 -0.73 0.00 0.00 179.01 178.78 2bpi h THR 22 N -0.25 0.22 -0.61 0.32 2.02 -1.86 -1.04 112.91 111.71 2bpi h THR 22 Ca 0.14 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.47 2bpi h THR 22 Cb 0.48 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 2bpi h THR 22 CO -0.41 0.00 0.42 -0.07 0.37 0.00 0.00 175.52 175.83 2bpi h LEU 23 N -0.76 0.14 -0.12 2.58 4.07 -1.10 0.65 115.31 120.77 2bpi h LEU 23 Ca -0.02 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 2bpi h LEU 23 Cb 0.70 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.41 2bpi h LEU 23 CO -0.09 0.08 0.03 -1.13 -1.08 0.00 0.00 178.44 176.25 2bpi h ASN 24 N 0.15 0.18 -0.14 -0.43 -0.00 0.14 -0.10 115.58 115.39 2bpi h ASN 24 Ca 0.29 -0.23 -0.04 0.00 -0.00 0.00 0.00 56.30 56.32 2bpi h ASN 24 Cb 0.94 -0.05 -0.00 0.00 -0.00 0.00 0.00 38.32 39.21 2bpi h ASN 24 CO -0.04 0.36 -0.07 -0.26 -0.00 0.00 0.00 177.43 177.42 2bpi h PHE 25 N -0.02 0.34 0.18 0.67 0.04 0.35 -0.11 116.94 118.39 2bpi h PHE 25 Ca 0.04 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 2bpi h PHE 25 Cb 0.26 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.33 2bpi h PHE 25 CO 0.01 0.63 -0.09 1.25 -0.60 0.00 0.00 178.31 179.51 2bpi h HIS 26 N -0.06 -0.23 0.00 -0.55 2.76 0.14 0.02 115.15 117.23 2bpi h HIS 26 Ca 0.03 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2bpi h HIS 26 Cb 0.55 0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.58 2bpi h HIS 26 CO 0.07 0.03 -0.02 -0.92 -1.30 0.00 0.00 177.93 175.79 2bpi h TYR 27 N -0.47 0.00 0.00 5.26 3.20 -1.09 0.23 116.97 124.09 2bpi h TYR 27 Ca -0.03 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 2bpi h TYR 27 Cb 0.36 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 2bpi h TYR 27 CO 0.00 0.00 -0.13 -0.91 -1.64 0.00 0.00 178.16 175.48 2bpi h ASN 28 N -0.70 0.00 0.00 -2.11 -0.26 -1.04 -2.60 115.58 108.87 2bpi h ASN 28 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2bpi h ASN 28 Cb 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 2bpi h ASN 28 CO 0.00 0.13 -0.02 0.29 -1.06 0.00 0.00 177.43 176.78 2bpi n LYS 29 N -3.78 0.01 0.29 0.81 4.76 -0.67 -4.39 118.16 115.18 2bpi n LYS 29 Ca -0.02 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.25 2bpi n LYS 29 Cb 0.24 -0.41 -0.09 0.00 -1.84 0.00 0.00 35.03 32.93 2bpi n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2bpi h HIS 30 N -0.02 -1.20 0.10 2.13 3.86 -0.92 0.13 115.15 119.23 2bpi h HIS 30 Ca 0.00 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2bpi h HIS 30 Cb 0.02 0.46 -0.00 0.00 1.06 0.00 0.00 27.41 28.95 2bpi h HIS 30 CO -0.01 -0.61 -0.06 1.25 0.86 0.00 0.00 177.93 179.36 2bpi h HIS 31 N -0.92 -0.16 -0.94 2.45 -0.00 -0.57 -2.27 115.15 112.74 2bpi h HIS 31 Ca -0.05 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.34 2bpi h HIS 31 Cb 0.80 0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 28.22 2bpi h HIS 31 CO -0.21 -0.10 0.62 0.00 -0.00 0.00 0.00 177.93 178.24 2bpi h ALA 32 N 0.75 1.23 -1.03 5.26 0.00 -1.51 -1.06 119.26 122.90 2bpi h ALA 32 Ca -0.01 -0.05 0.26 0.00 0.00 0.00 0.00 54.91 55.11 2bpi h ALA 32 Cb 0.13 -0.35 -0.11 0.00 0.00 0.00 0.00 17.79 17.47 2bpi h ALA 32 CO 0.01 0.51 0.64 0.78 0.00 0.00 0.00 179.25 181.19 2bpi h GLY 33 N 1.21 1.52 1.55 0.00 0.00 -0.42 -0.29 103.07 106.64 2bpi h GLY 33 Ca 0.37 -0.25 -0.23 0.00 0.00 0.00 0.00 47.33 47.22 2bpi h GLY 33 CO -0.11 -0.19 -0.95 -0.97 0.00 0.00 0.00 176.54 174.32 2bpi h TYR 34 N 0.47 0.60 0.28 5.60 0.05 -0.62 -1.58 116.97 121.77 2bpi h TYR 34 Ca 0.62 -0.33 -0.01 0.00 0.05 0.00 0.00 58.73 59.06 2bpi h TYR 34 Cb 1.41 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 39.08 2bpi h TYR 34 CO -0.00 1.15 -0.13 0.28 -1.05 0.00 0.00 178.16 178.41 2bpi h VAL 35 N 0.22 0.75 -0.75 -2.88 2.07 -1.10 -1.08 116.25 113.48 2bpi h VAL 35 Ca -0.08 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 2bpi h VAL 35 Cb 1.59 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 2bpi h VAL 35 CO 0.16 0.03 0.40 0.78 0.02 0.00 0.00 177.57 178.97 2bpi h ASN 36 N -0.45 0.94 0.20 0.57 2.35 -1.12 -0.96 115.58 117.11 2bpi h ASN 36 Ca -0.04 -0.10 -0.11 0.00 -0.55 0.00 0.00 56.30 55.50 2bpi h ASN 36 Cb 0.34 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2bpi h ASN 36 CO 0.06 0.78 -0.42 0.50 -1.65 0.00 0.00 177.43 176.70 2bpi h LYS 37 N 1.04 0.28 -0.07 0.81 3.64 -1.27 -2.65 116.57 118.35 2bpi h LYS 37 Ca 0.26 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 2bpi h LYS 37 Cb 0.05 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2bpi h LYS 37 CO -0.04 0.65 -0.05 1.25 -2.27 0.00 0.00 179.45 179.00 2bpi h LEU 38 N 0.24 0.17 -1.26 5.20 5.85 -0.45 -1.46 115.31 123.59 2bpi h LEU 38 Ca 0.02 -0.44 0.16 0.00 0.84 0.00 0.00 57.88 58.45 2bpi h LEU 38 Cb 0.84 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.74 2bpi h LEU 38 CO 0.07 0.58 0.59 0.78 -0.34 0.00 0.00 178.44 180.11 2bpi h ASN 39 N -0.24 0.66 0.15 1.25 2.35 -1.21 -1.14 115.58 117.40 2bpi h ASN 39 Ca 0.01 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2bpi h ASN 39 Cb 0.52 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.81 2bpi h ASN 39 CO 0.01 0.32 -0.07 0.74 -1.65 0.00 0.00 177.43 176.78 2bpi h THR 40 N 0.69 0.99 0.00 2.81 2.02 -1.23 -2.38 112.91 115.81 2bpi h THR 40 Ca 0.47 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 2bpi h THR 40 Cb 0.78 1.37 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 2bpi h THR 40 CO -0.23 0.14 -0.07 -0.07 0.37 0.00 0.00 175.52 175.67 2bpi h LEU 41 N -0.49 0.00 0.00 2.58 3.38 -0.34 -3.21 115.31 117.22 2bpi h LEU 41 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2bpi h LEU 41 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2bpi h LEU 41 CO 0.03 0.07 -0.73 2.30 0.09 0.00 0.00 178.44 180.20 2bpi n ILE 42 N -3.27 0.00 -0.06 1.22 -5.35 -0.52 -4.82 119.36 106.55 2bpi n ILE 42 Ca -0.01 -0.22 -0.02 0.00 -0.27 0.00 0.00 62.75 62.24 2bpi n ILE 42 Cb 0.27 0.88 -0.01 0.00 -1.74 0.00 0.00 39.64 39.04 2bpi n ILE 42 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2bpi n LYS 43 N -1.39 -0.06 -3.66 6.28 4.81 -0.90 -2.21 118.16 121.03 2bpi n LYS 43 Ca 0.02 0.44 -0.27 0.00 -0.87 0.00 0.00 58.31 57.62 2bpi n LYS 43 Cb 0.21 -0.65 -0.10 0.00 0.02 0.00 0.00 35.03 34.51 2bpi n LYS 43 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2bpi n ASP 44 N -3.20 3.08 -3.70 3.14 8.00 -1.26 -4.75 116.55 117.85 2bpi n ASP 44 Ca 0.00 -3.25 -0.21 0.00 0.71 0.00 0.00 54.79 52.04 2bpi n ASP 44 Cb 0.04 -0.71 -0.08 0.00 -0.02 0.00 0.00 41.12 40.34 2bpi n ASP 44 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2bpi s THR 45 N -1.81 0.20 0.44 -3.53 -4.23 -0.94 -5.04 115.64 100.73 2bpi s THR 45 Ca 0.32 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.01 2bpi s THR 45 Cb 0.05 -2.46 0.38 0.00 1.34 0.00 0.00 72.50 71.82 2bpi s THR 45 CO -0.10 0.00 1.88 -0.65 -0.54 0.00 0.00 174.62 175.20 2bpi h PRO 46 N 2.08 0.34 0.00 3.99 0.11 -1.97 -3.09 132.00 133.47 2bpi h PRO 46 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2bpi h PRO 46 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2bpi h PRO 46 CO 0.45 0.23 0.00 1.19 -0.21 0.00 0.00 178.00 179.66 2bpi n PHE 47 N -4.48 0.45 0.22 0.65 3.72 -1.26 -4.08 117.46 112.68 2bpi n PHE 47 Ca 0.18 0.20 0.07 0.00 -0.05 0.00 0.00 57.45 57.85 2bpi n PHE 47 Cb 0.68 -0.82 0.59 0.00 -0.94 0.00 0.00 39.48 39.00 2bpi n PHE 47 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bpi h ALA 48 N 2.21 1.93 0.00 4.37 0.00 -1.61 -2.84 119.26 123.32 2bpi h ALA 48 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2bpi h ALA 48 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2bpi h ALA 48 CO 0.00 0.06 -1.08 0.39 0.00 0.00 0.00 179.25 178.62 2bpi n GLU 49 N -4.51 1.66 -1.70 0.00 1.02 -1.26 -4.96 120.64 110.90 2bpi n GLU 49 Ca -0.02 -0.06 -0.34 0.00 -0.02 0.00 0.00 57.16 56.73 2bpi n GLU 49 Cb 0.10 -1.19 0.06 0.00 -0.02 0.00 0.00 31.44 30.39 2bpi n GLU 49 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2bpi s LYS 50 N -2.52 2.64 0.45 3.49 -0.14 -1.07 -5.03 119.74 117.55 2bpi s LYS 50 Ca 0.00 1.52 -0.19 0.00 -1.36 0.00 0.00 55.97 55.94 2bpi s LYS 50 Cb 0.09 -1.92 -0.10 0.00 -1.68 0.00 0.00 37.83 34.22 2bpi s LYS 50 CO 0.52 -1.40 0.94 0.45 -0.76 0.00 0.00 175.35 175.10 2bpi s SER 51 N -2.36 6.82 0.18 2.83 0.15 -1.26 -4.83 113.70 115.23 2bpi s SER 51 Ca 0.70 1.61 -0.24 0.00 0.70 0.00 0.00 55.95 58.71 2bpi s SER 51 Cb -0.23 -2.51 0.05 0.00 -1.71 0.00 0.00 66.02 61.62 2bpi s SER 51 CO 0.41 -0.42 1.45 -0.11 1.20 0.00 0.00 173.24 175.78 2bpi n LEU 52 N -0.92 -0.84 -0.16 3.45 7.94 -1.26 -0.23 117.00 124.98 2bpi n LEU 52 Ca 0.06 1.66 -0.04 0.00 -1.11 0.00 0.00 56.01 56.59 2bpi n LEU 52 Cb 0.54 -0.28 0.06 0.00 0.53 0.00 0.00 43.42 44.26 2bpi n LEU 52 CO 0.40 -1.41 0.98 -0.07 -1.11 0.00 0.00 177.39 176.19 2bpi h LEU 53 N 0.00 0.25 -0.74 -1.96 3.38 -1.95 0.10 115.31 114.39 2bpi h LEU 53 Ca 0.22 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.26 2bpi h LEU 53 Cb 0.46 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2bpi h LEU 53 CO -0.90 0.17 0.48 0.44 0.09 0.00 0.00 178.44 178.72 2bpi h ASP 54 N 0.40 0.80 0.57 -0.43 3.32 -0.98 0.26 116.42 120.35 2bpi h ASP 54 Ca 0.23 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 2bpi h ASP 54 Cb 0.20 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2bpi h ASP 54 CO -0.21 0.56 -0.45 0.40 -1.72 0.00 0.00 179.24 177.83 2bpi h ILE 55 N 0.94 0.00 -0.93 0.35 2.04 -0.32 0.16 117.51 119.76 2bpi h ILE 55 Ca 0.29 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.30 2bpi h ILE 55 Cb -0.04 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 35.89 2bpi h ILE 55 CO -0.09 0.00 -0.34 0.52 0.00 0.00 0.00 178.15 178.24 2bpi n VAL 56 N -5.18 -0.47 -0.22 1.67 0.31 0.32 -0.53 118.33 114.23 2bpi n VAL 56 Ca -0.12 2.17 -0.08 0.00 -0.01 0.00 0.00 64.34 66.30 2bpi n VAL 56 Cb 0.43 -2.89 0.03 0.00 -0.91 0.00 0.00 33.84 30.50 2bpi n VAL 56 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2bpi h LYS 57 N 0.00 0.94 0.00 5.55 1.57 0.03 -3.36 116.57 121.30 2bpi h LYS 57 Ca 0.34 -0.20 -0.20 0.00 -1.87 0.00 0.00 60.65 58.73 2bpi h LYS 57 Cb 0.58 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 2bpi h LYS 57 CO -0.93 0.83 -2.10 0.39 -0.57 0.00 0.00 179.45 177.07 2bpi n GLU 58 N -4.40 0.67 -1.60 3.15 1.02 0.52 -5.01 120.64 114.98 2bpi n GLU 58 Ca 0.03 -0.05 -0.30 0.00 -0.02 0.00 0.00 57.16 56.82 2bpi n GLU 58 Cb 0.20 -1.56 0.09 0.00 -0.02 0.00 0.00 31.44 30.15 2bpi n GLU 58 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2bpi s SER 59 N -5.15 4.57 0.00 1.62 1.04 0.32 -5.08 113.70 111.01 2bpi s SER 59 Ca -0.08 1.26 0.00 0.00 0.48 0.00 0.00 55.95 57.61 2bpi s SER 59 Cb 0.09 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.22 2bpi s SER 59 CO 0.86 -1.92 0.00 -1.54 0.98 0.00 0.00 173.24 171.62 2bpi n SER 60 N -3.39 0.00 0.00 7.02 3.41 -1.26 -4.74 113.62 114.65 2bpi n SER 60 Ca 0.07 -0.88 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 2bpi n SER 60 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 2bpi n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bpi n GLY 61 N 0.00 2.08 0.23 5.00 0.00 -1.26 -2.04 105.19 109.21 2bpi n GLY 61 Ca 0.00 -0.35 0.09 0.00 0.00 0.00 0.00 46.02 45.77 2bpi n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpi h ALA 62 N -0.53 1.25 -0.04 4.61 0.00 -2.00 -2.00 119.26 120.55 2bpi h ALA 62 Ca 0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.50 2bpi h ALA 62 Cb 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.77 2bpi h ALA 62 CO 0.00 0.26 -0.84 0.82 0.00 0.00 0.00 179.25 179.49 2bpi h ILE 63 N 0.00 1.32 -0.18 0.00 2.04 -1.94 -2.71 117.51 116.04 2bpi h ILE 63 Ca -0.00 -2.11 -0.03 0.00 1.00 0.00 0.00 64.86 63.72 2bpi h ILE 63 Cb 0.51 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 2bpi h ILE 63 CO 0.03 0.65 0.01 0.15 0.00 0.00 0.00 178.15 178.98 2bpi h PHE 64 N 0.29 0.33 -0.63 1.37 3.57 -1.15 0.06 116.94 120.78 2bpi h PHE 64 Ca -0.09 -0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.47 2bpi h PHE 64 Cb 1.50 -0.09 -0.12 0.00 2.79 0.00 0.00 35.95 40.03 2bpi h PHE 64 CO 0.11 0.49 -0.30 -0.91 -2.23 0.00 0.00 178.31 175.48 2bpi h ASN 65 N 0.07 -1.05 -0.06 0.41 2.35 -1.41 0.25 115.58 116.14 2bpi h ASN 65 Ca 0.05 0.23 -0.24 0.00 -0.55 0.00 0.00 56.30 55.79 2bpi h ASN 65 Cb 0.35 0.55 0.02 0.00 0.05 0.00 0.00 38.32 39.29 2bpi h ASN 65 CO 0.01 -0.29 -0.90 0.78 -1.65 0.00 0.00 177.43 175.37 2bpi h ASN 66 N -0.12 0.91 0.60 5.81 2.35 -1.42 -2.43 115.58 121.28 2bpi h ASN 66 Ca 0.26 -0.69 -0.02 0.00 -0.55 0.00 0.00 56.30 55.30 2bpi h ASN 66 Cb 0.55 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 2bpi h ASN 66 CO -0.70 1.47 -0.35 0.00 -1.65 0.00 0.00 177.43 176.19 2bpi h ALA 67 N 0.46 -0.91 -0.54 -0.83 0.00 -0.61 -2.03 119.26 114.80 2bpi h ALA 67 Ca -0.10 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.66 2bpi h ALA 67 Cb 1.55 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 19.74 2bpi h ALA 67 CO 0.18 -1.02 0.32 0.00 0.00 0.00 0.00 179.25 178.73 2bpi h ALA 68 N -0.55 0.70 -0.65 0.00 0.00 -0.63 -2.38 119.26 115.73 2bpi h ALA 68 Ca -0.07 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2bpi h ALA 68 Cb 0.72 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2bpi h ALA 68 CO 0.08 0.03 0.43 1.96 0.00 0.00 0.00 179.25 181.76 2bpi h GLN 69 N 0.64 0.65 0.24 0.00 1.08 -1.38 0.65 115.11 116.98 2bpi h GLN 69 Ca 0.22 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 2bpi h GLN 69 Cb 0.03 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 2bpi h GLN 69 CO -0.10 0.43 -0.11 0.82 -0.95 0.00 0.00 178.83 178.91 2bpi h ILE 70 N 0.67 0.83 0.01 2.54 2.04 -0.90 -1.24 117.51 121.46 2bpi h ILE 70 Ca 0.28 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.56 2bpi h ILE 70 Cb 0.25 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 2bpi h ILE 70 CO -0.09 0.13 -0.06 -0.25 0.00 0.00 0.00 178.15 177.88 2bpi h TRP 71 N -0.62 -0.16 -0.62 1.37 7.01 -1.07 -1.78 115.95 120.07 2bpi h TRP 71 Ca -0.03 0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.09 2bpi h TRP 71 Cb 0.45 0.07 -0.09 0.00 -2.10 0.00 0.00 29.16 27.49 2bpi h TRP 71 CO 0.02 -0.10 0.15 -0.91 -2.79 0.00 0.00 178.44 174.81 2bpi h ASN 72 N -0.12 0.04 -0.48 2.65 2.35 0.32 -1.39 115.58 118.95 2bpi h ASN 72 Ca 0.02 0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.78 2bpi h ASN 72 Cb 0.14 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2bpi h ASN 72 CO -0.06 0.02 -0.11 0.45 -1.65 0.00 0.00 177.43 176.08 2bpi h HIS 73 N 0.28 1.03 -0.81 1.19 3.86 -1.04 -0.60 115.15 119.06 2bpi h HIS 73 Ca 0.33 -0.22 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 2bpi h HIS 73 Cb 0.49 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.67 2bpi h HIS 73 CO -0.24 0.99 0.39 1.15 0.86 0.00 0.00 177.93 181.08 2bpi h THR 74 N 0.76 1.25 -0.50 2.45 2.02 -0.99 -0.23 112.91 117.68 2bpi h THR 74 Ca 0.12 -0.71 -0.05 0.00 0.77 0.00 0.00 66.41 66.54 2bpi h THR 74 Cb 0.66 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2bpi h THR 74 CO 0.05 0.30 0.10 0.15 0.37 0.00 0.00 175.52 176.49 2bpi h PHE 75 N 1.15 0.79 -0.30 3.16 3.57 -0.86 -2.14 116.94 122.31 2bpi h PHE 75 Ca 0.28 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 2bpi h PHE 75 Cb 0.12 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 2bpi h PHE 75 CO 0.01 0.68 -0.00 -0.92 -2.23 0.00 0.00 178.31 175.85 2bpi h TYR 76 N 0.74 0.59 -0.41 0.41 3.20 -0.32 -0.46 116.97 120.71 2bpi h TYR 76 Ca 0.16 -0.10 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 2bpi h TYR 76 Cb 0.30 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2bpi h TYR 76 CO 0.02 0.67 -0.14 -1.49 -1.64 0.00 0.00 178.16 175.58 2bpi h TRP 77 N 0.33 0.83 0.00 -3.82 -0.00 -0.73 -2.63 115.95 109.93 2bpi h TRP 77 Ca 0.09 -0.16 -0.02 0.00 -0.00 0.00 0.00 58.89 58.80 2bpi h TRP 77 Cb 0.44 -0.21 -0.00 0.00 -0.00 0.00 0.00 29.16 29.39 2bpi h TRP 77 CO 0.04 0.84 -0.10 -0.44 -0.00 0.00 0.00 178.44 178.78 2bpi h ASP 78 N 0.68 0.00 0.32 -3.49 3.32 -1.35 -2.98 116.42 112.92 2bpi h ASP 78 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2bpi h ASP 78 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2bpi h ASP 78 CO 0.04 0.10 0.00 -1.20 -1.72 0.00 0.00 179.24 176.46 2bpi n SER 79 N -3.15 0.00 -4.28 6.45 7.64 -0.19 -4.70 113.62 115.39 2bpi n SER 79 Ca 0.02 0.06 -0.22 0.00 1.01 0.00 0.00 58.87 59.74 2bpi n SER 79 Cb 0.48 -0.29 -0.09 0.00 -1.01 0.00 0.00 64.21 63.29 2bpi n SER 79 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2bpi s MET 80 N -2.58 1.73 -0.05 1.43 -1.94 -1.12 -0.35 119.30 116.41 2bpi s MET 80 Ca 0.15 -2.00 -0.31 0.00 -1.71 0.00 0.00 55.69 51.82 2bpi s MET 80 Cb 0.11 -0.64 0.12 0.00 2.01 0.00 0.00 34.83 36.44 2bpi s MET 80 CO 0.25 -0.33 1.21 0.20 -0.01 0.00 0.00 175.02 176.34 2bpi s GLY 81 N -3.50 -0.36 0.66 -0.03 0.00 -0.55 -4.66 107.32 98.88 2bpi s GLY 81 Ca 0.31 0.93 -0.11 0.00 0.00 0.00 0.00 44.72 45.85 2bpi s GLY 81 CO 0.15 0.24 1.05 2.56 0.00 0.00 0.00 173.10 177.10 2bpi s PRO 82 N -2.54 3.23 -1.46 2.90 0.04 -1.26 -4.08 135.00 131.83 2bpi s PRO 82 Ca 0.12 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 61.92 2bpi s PRO 82 Cb 0.02 -2.03 0.05 0.00 0.04 0.00 0.00 34.50 32.58 2bpi s PRO 82 CO -0.04 -0.86 0.94 -0.25 0.04 0.00 0.00 177.00 176.83 2bpi n ASP 83 N -2.95 -5.43 0.00 6.66 8.00 -1.26 -4.96 116.55 116.61 2bpi n ASP 83 Ca 0.07 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.98 2bpi n ASP 83 Cb 0.54 -4.33 0.00 0.00 -0.02 0.00 0.00 41.12 37.31 2bpi n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bpi n GLY 85 N 4.09 -1.70 7.00 0.00 0.00 0.35 -4.75 105.19 110.18 2bpi n GLY 85 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2bpi n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bpi n GLY 86 N 0.00 0.81 3.68 -0.02 0.00 -0.92 -4.74 105.19 103.99 2bpi n GLY 86 Ca 0.00 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 2bpi n GLY 86 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bpi n GLU 87 N 0.00 1.21 -1.76 1.61 -0.58 -1.26 -4.99 120.64 114.87 2bpi n GLU 87 Ca 0.00 0.46 -0.29 0.00 -0.42 0.00 0.00 57.16 56.91 2bpi n GLU 87 Cb 0.00 -2.37 0.11 0.00 -0.57 0.00 0.00 31.44 28.61 2bpi n GLU 87 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2bpi s PRO 88 N -2.90 1.66 0.14 3.49 0.04 -1.26 -5.05 135.00 131.13 2bpi s PRO 88 Ca 0.75 0.19 -0.15 0.00 0.04 0.00 0.00 61.00 61.83 2bpi s PRO 88 Cb -0.42 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.24 2bpi s PRO 88 CO 0.47 -1.82 0.40 -3.38 0.04 0.00 0.00 177.00 172.71 2bpi s HIS 89 N -3.46 -0.13 0.00 0.56 -3.43 -1.26 -4.81 115.29 102.77 2bpi s HIS 89 Ca 0.63 -0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.68 2bpi s HIS 89 Cb -0.12 0.24 0.00 0.00 -1.43 0.00 0.00 32.58 31.27 2bpi s HIS 89 CO 0.51 -0.73 0.00 0.41 -2.00 0.00 0.00 174.74 172.92 2bpi n GLY 90 N -0.24 -0.44 0.33 -1.38 0.00 -1.26 -3.52 105.19 98.68 2bpi n GLY 90 Ca -0.14 -1.10 0.04 0.00 0.00 0.00 0.00 46.02 44.81 2bpi n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bpi h GLU 91 N 0.00 0.89 -0.06 1.61 4.39 -1.96 -1.24 114.58 118.21 2bpi h GLU 91 Ca 0.00 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 2bpi h GLU 91 Cb 0.00 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 2bpi h GLU 91 CO 0.00 0.59 -0.16 0.97 -1.16 0.00 0.00 179.01 179.25 2bpi h ILE 92 N 0.92 1.15 -0.65 3.13 6.09 -1.92 0.13 117.51 126.36 2bpi h ILE 92 Ca 0.42 -0.68 -0.03 0.00 -1.37 0.00 0.00 64.86 63.21 2bpi h ILE 92 Cb 0.34 1.28 -0.03 0.00 0.47 0.00 0.00 36.82 38.88 2bpi h ILE 92 CO -0.23 0.20 0.29 0.50 -3.07 0.00 0.00 178.15 175.84 2bpi h LYS 93 N 0.09 0.95 -0.04 2.19 3.64 -1.27 -0.83 116.57 121.30 2bpi h LYS 93 Ca 0.02 -0.15 -0.22 0.00 -1.27 0.00 0.00 60.65 59.03 2bpi h LYS 93 Cb 0.34 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2bpi h LYS 93 CO 0.02 0.77 -0.87 1.49 -2.27 0.00 0.00 179.45 178.59 2bpi h GLU 94 N 0.90 0.50 -0.24 1.90 4.57 -0.98 -2.64 114.58 118.59 2bpi h GLU 94 Ca 0.22 -0.48 -0.20 0.00 -1.18 0.00 0.00 59.36 57.72 2bpi h GLU 94 Cb 0.15 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 2bpi h GLU 94 CO -0.02 1.12 -0.63 0.87 -1.18 0.00 0.00 179.01 179.17 2bpi h LYS 95 N 0.31 0.84 -0.62 1.92 1.57 -1.05 -1.79 116.57 117.76 2bpi h LYS 95 Ca -0.07 -0.58 0.02 0.00 -1.87 0.00 0.00 60.65 58.15 2bpi h LYS 95 Cb 1.49 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.86 2bpi h LYS 95 CO 0.16 1.21 0.41 0.82 -0.57 0.00 0.00 179.45 181.48 2bpi h ILE 96 N 0.62 1.11 -0.11 1.86 2.04 -1.18 0.11 117.51 121.97 2bpi h ILE 96 Ca -0.01 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 2bpi h ILE 96 Cb 1.24 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2bpi h ILE 96 CO 0.14 0.14 -0.01 1.56 0.00 0.00 0.00 178.15 179.98 2bpi h GLN 97 N 0.78 0.20 0.01 2.37 4.20 -1.41 -1.15 115.11 120.10 2bpi h GLN 97 Ca 0.24 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.89 2bpi h GLN 97 Cb 0.00 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2bpi h GLN 97 CO -0.06 0.47 -0.03 1.49 -0.67 0.00 0.00 178.83 180.03 2bpi h GLU 98 N -0.10 -0.06 0.00 1.46 4.81 -1.10 -1.34 114.58 118.26 2bpi h GLU 98 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2bpi h GLU 98 Cb 0.39 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2bpi h GLU 98 CO 0.01 -0.04 -0.75 -0.44 -0.73 0.00 0.00 179.01 177.06 2bpi h ASP 99 N -0.06 0.00 0.00 1.04 3.32 -0.85 -3.36 116.42 116.51 2bpi h ASP 99 Ca 0.01 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2bpi h ASP 99 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2bpi h ASP 99 CO -0.03 0.07 0.00 0.49 -1.72 0.00 0.00 179.24 178.05 2bpi n PHE 100 N -2.33 0.00 0.00 4.55 3.72 -0.43 -4.94 117.46 118.03 2bpi n PHE 100 Ca 0.02 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2bpi n PHE 100 Cb 0.48 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 2bpi n PHE 100 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bpi n GLY 101 N -0.16 2.12 3.40 1.37 0.00 -0.51 -4.52 105.19 106.89 2bpi n GLY 101 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 2bpi n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bpi s SER 102 N 0.00 -0.02 0.19 1.61 1.04 -1.25 -4.61 113.70 110.67 2bpi s SER 102 Ca 0.00 -0.86 -0.12 0.00 0.48 0.00 0.00 55.95 55.45 2bpi s SER 102 Cb 0.00 0.48 0.23 0.00 0.10 0.00 0.00 66.02 66.82 2bpi s SER 102 CO 0.00 -0.96 1.70 0.15 0.98 0.00 0.00 173.24 175.12 2bpi h PHE 103 N 2.45 0.13 -0.75 5.02 3.57 -1.91 -2.77 116.94 122.68 2bpi h PHE 103 Ca -0.30 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.24 2bpi h PHE 103 Cb 1.24 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.97 2bpi h PHE 103 CO 0.39 -0.04 0.50 -0.91 -2.23 0.00 0.00 178.31 176.02 2bpi h ASN 104 N 0.21 0.86 0.22 0.41 2.35 -1.96 -1.24 115.58 116.43 2bpi h ASN 104 Ca 0.27 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2bpi h ASN 104 Cb 0.39 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2bpi h ASN 104 CO -0.37 0.62 -0.16 0.78 -1.65 0.00 0.00 177.43 176.65 2bpi h ASN 105 N 1.02 -0.42 -0.19 5.81 2.35 -1.77 -2.64 115.58 119.73 2bpi h ASN 105 Ca 0.28 0.03 0.05 0.00 -0.55 0.00 0.00 56.30 56.11 2bpi h ASN 105 Cb -0.11 0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.34 2bpi h ASN 105 CO -0.06 -0.25 -0.13 0.15 -1.65 0.00 0.00 177.43 175.49 2bpi h PHE 106 N -0.38 -0.32 -0.45 1.19 3.57 -1.12 -1.84 116.94 117.59 2bpi h PHE 106 Ca -0.01 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.57 2bpi h PHE 106 Cb 0.34 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 2bpi h PHE 106 CO -0.11 -0.19 0.17 -0.22 -2.23 0.00 0.00 178.31 175.72 2bpi h LYS 107 N -0.13 0.33 0.16 1.11 3.64 -1.27 0.35 116.57 120.77 2bpi h LYS 107 Ca 0.11 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2bpi h LYS 107 Cb 0.29 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2bpi h LYS 107 CO -0.27 0.22 -0.08 0.93 -2.27 0.00 0.00 179.45 177.99 2bpi h GLU 108 N 0.34 -0.20 -0.37 1.90 5.08 -1.33 0.12 114.58 120.12 2bpi h GLU 108 Ca 0.21 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.65 2bpi h GLU 108 Cb 0.19 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 2bpi h GLU 108 CO -0.21 0.10 -0.03 0.37 -1.00 0.00 0.00 179.01 178.25 2bpi h GLN 109 N -0.52 0.07 0.08 2.33 4.15 -1.17 0.06 115.11 120.11 2bpi h GLN 109 Ca -0.02 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.40 2bpi h GLN 109 Cb 0.40 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 2bpi h GLN 109 CO 0.04 0.04 -0.10 0.35 -1.93 0.00 0.00 178.83 177.23 2bpi h PHE 110 N 0.07 -0.26 -0.96 3.99 3.57 -0.31 -1.54 116.94 121.50 2bpi h PHE 110 Ca 0.18 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.81 2bpi h PHE 110 Cb 0.26 0.10 -0.09 0.00 2.79 0.00 0.00 35.95 39.02 2bpi h PHE 110 CO -0.28 -0.15 0.58 0.77 -2.23 0.00 0.00 178.31 177.00 2bpi h SER 111 N -0.21 0.84 -0.42 0.41 0.02 -0.33 -0.34 113.55 113.52 2bpi h SER 111 Ca 0.01 0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 2bpi h SER 111 Cb 0.22 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2bpi h SER 111 CO -0.04 0.43 -0.16 0.78 -1.14 0.00 0.00 176.83 176.70 2bpi h ASN 112 N 0.91 0.87 -0.42 3.07 2.35 -0.68 -1.00 115.58 120.67 2bpi h ASN 112 Ca 0.48 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2bpi h ASN 112 Cb 0.52 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 2bpi h ASN 112 CO -0.28 1.06 0.24 0.40 -1.65 0.00 0.00 177.43 177.20 2bpi h ILE 113 N 0.68 1.15 -0.84 2.81 5.03 -0.91 -1.70 117.51 123.72 2bpi h ILE 113 Ca 0.10 -0.36 0.04 0.00 -0.12 0.00 0.00 64.86 64.52 2bpi h ILE 113 Cb 0.71 0.63 -0.05 0.00 -3.03 0.00 0.00 36.82 35.07 2bpi h ILE 113 CO 0.05 0.15 0.53 -0.07 -0.68 0.00 0.00 178.15 178.13 2bpi h LEU 114 N 0.54 0.87 0.00 1.44 4.07 -0.95 -2.86 115.31 118.43 2bpi h LEU 114 Ca 0.15 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.91 2bpi h LEU 114 Cb 0.03 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.56 2bpi h LEU 114 CO -0.03 0.59 -0.96 0.00 -1.08 0.00 0.00 178.44 176.96 2bpi n GLY 116 N 1.34 2.04 3.68 0.00 0.00 -0.66 -4.90 105.19 106.70 2bpi n GLY 116 Ca -0.01 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2bpi n GLY 116 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2bpi s HIS 117 N -1.21 2.77 -0.02 1.61 5.04 -1.08 -4.97 115.29 117.43 2bpi s HIS 117 Ca 0.44 0.82 -0.27 0.00 -1.54 0.00 0.00 55.06 54.51 2bpi s HIS 117 Cb 0.24 -3.63 -0.03 0.00 0.04 0.00 0.00 32.58 29.19 2bpi s HIS 117 CO 0.31 -2.33 0.86 0.12 -2.34 0.00 0.00 174.74 171.36 2bpi s PHE 118 N 2.87 3.64 0.00 3.88 5.36 -1.26 -4.90 117.98 127.57 2bpi s PHE 118 Ca 0.62 1.51 0.00 0.00 -0.96 0.00 0.00 56.93 58.10 2bpi s PHE 118 Cb -0.28 -2.98 0.00 0.00 -0.34 0.00 0.00 43.02 39.42 2bpi s PHE 118 CO 0.24 0.05 0.00 0.41 -1.46 0.00 0.00 175.22 174.46 2bpi n GLY 119 N 2.93 -0.50 3.80 13.12 0.00 -1.26 -4.87 105.19 118.42 2bpi n GLY 119 Ca 0.03 -1.10 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 2bpi n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bpi s SER 120 N -4.00 7.12 0.00 1.61 0.01 -1.26 -4.77 113.70 112.41 2bpi s SER 120 Ca 0.00 1.33 0.00 0.00 1.31 0.00 0.00 55.95 58.59 2bpi s SER 120 Cb 0.00 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2bpi s SER 120 CO 0.00 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.49 2bpi n GLY 121 N 1.80 -1.29 2.98 3.44 0.00 -1.26 0.11 105.19 110.96 2bpi n GLY 121 Ca -0.09 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 2bpi n GLY 121 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bpi s TRP 122 N -2.99 0.27 0.14 1.61 0.52 -0.37 -1.22 118.94 116.90 2bpi s TRP 122 Ca 0.00 -0.47 0.05 0.00 0.02 0.00 0.00 56.10 55.70 2bpi s TRP 122 Cb 0.00 -0.19 -0.04 0.00 -1.15 0.00 0.00 33.47 32.09 2bpi s TRP 122 CO 0.00 -0.16 0.06 0.20 0.02 0.00 0.00 176.95 177.07 2bpi s GLY 123 N -1.31 1.81 0.00 0.98 0.00 -0.57 -1.41 107.32 106.82 2bpi s GLY 123 Ca -0.14 -1.21 -0.01 0.00 0.00 0.00 0.00 44.72 43.37 2bpi s GLY 123 CO -0.01 -1.21 0.02 -0.98 0.00 0.00 0.00 173.10 170.92 2bpi s TRP 124 N -1.59 0.07 -0.23 1.90 0.52 -0.20 -1.88 118.94 117.52 2bpi s TRP 124 Ca 0.29 -0.13 -0.10 0.00 0.02 0.00 0.00 56.10 56.18 2bpi s TRP 124 Cb -0.11 -0.06 -0.05 0.00 -1.15 0.00 0.00 33.47 32.11 2bpi s TRP 124 CO 0.21 -0.08 0.14 -1.17 0.02 0.00 0.00 176.95 176.07 2bpi s LEU 125 N -0.53 4.10 0.05 2.99 2.96 -0.16 -1.43 118.68 126.66 2bpi s LEU 125 Ca -0.06 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2bpi s LEU 125 Cb -0.04 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 2bpi s LEU 125 CO -0.00 0.10 -0.05 0.00 -1.32 0.00 0.00 176.35 175.08 2bpi s ALA 126 N 0.86 0.49 -0.36 5.97 0.00 -0.14 0.71 121.76 129.29 2bpi s ALA 126 Ca 0.07 -0.91 -0.15 0.00 0.00 0.00 0.00 51.96 50.98 2bpi s ALA 126 Cb -0.13 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 2bpi s ALA 126 CO 0.03 -0.18 0.33 -1.17 0.00 0.00 0.00 175.76 174.76 2bpi s LEU 127 N -2.09 4.57 0.00 0.00 0.20 -0.11 -0.18 118.68 121.07 2bpi s LEU 127 Ca -0.04 -0.39 0.00 0.00 0.69 0.00 0.00 54.13 54.38 2bpi s LEU 127 Cb -0.03 -2.27 0.00 0.00 -0.43 0.00 0.00 46.19 43.46 2bpi s LEU 127 CO -0.03 -0.34 0.00 -0.46 -0.29 0.00 0.00 176.35 175.23 2bpi n ASN 128 N 5.30 -0.01 -0.07 3.68 0.23 0.57 -1.12 115.26 123.84 2bpi n ASN 128 Ca -0.10 -0.18 0.14 0.00 -0.53 0.00 0.00 54.58 53.91 2bpi n ASN 128 Cb 0.49 0.00 0.56 0.00 -2.08 0.00 0.00 39.78 38.75 2bpi n ASN 128 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2bpi n ASN 129 N -0.55 0.36 -1.72 0.53 3.02 -1.26 -3.17 115.26 112.47 2bpi n ASN 129 Ca 0.00 -0.28 0.03 0.00 -0.03 0.00 0.00 54.58 54.30 2bpi n ASN 129 Cb 0.00 -0.12 0.32 0.00 -0.61 0.00 0.00 39.78 39.38 2bpi n ASN 129 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2bpi n ASN 130 N -1.17 4.88 -3.87 6.41 4.13 -1.26 -4.88 115.26 119.49 2bpi n ASN 130 Ca 0.11 -2.84 -0.27 0.00 1.68 0.00 0.00 54.58 53.26 2bpi n ASN 130 Cb 0.30 -0.67 0.02 0.00 -1.54 0.00 0.00 39.78 37.89 2bpi n ASN 130 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2bpi n ASN 131 N 0.39 -3.16 -4.12 6.41 4.05 -1.19 -4.98 115.26 112.65 2bpi n ASN 131 Ca 0.26 -0.83 -0.26 0.00 0.45 0.00 0.00 54.58 54.20 2bpi n ASN 131 Cb 1.10 -3.79 -0.16 0.00 1.23 0.00 0.00 39.78 38.16 2bpi n ASN 131 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 2bpi s LYS 132 N -6.44 1.76 0.31 1.20 2.20 -1.26 -4.93 119.74 112.58 2bpi s LYS 132 Ca 0.40 -0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 55.14 2bpi s LYS 132 Cb -0.20 -1.52 -0.10 0.00 -1.51 0.00 0.00 37.83 34.49 2bpi s LYS 132 CO 0.84 0.22 1.21 -0.51 -0.36 0.00 0.00 175.35 176.75 2bpi s LEU 133 N 0.09 4.48 -0.12 5.43 1.43 -1.26 -0.32 118.68 128.42 2bpi s LEU 133 Ca -0.05 2.50 -0.10 0.00 -1.03 0.00 0.00 54.13 55.45 2bpi s LEU 133 Cb -0.12 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.50 2bpi s LEU 133 CO 0.02 -0.35 0.30 0.54 0.23 0.00 0.00 176.35 177.09 2bpi s VAL 134 N -1.14 -0.01 -0.19 -1.59 0.11 0.75 -4.90 120.40 113.43 2bpi s VAL 134 Ca 0.47 0.03 -0.21 0.00 -2.93 0.00 0.00 61.98 59.34 2bpi s VAL 134 Cb -0.36 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.03 2bpi s VAL 134 CO 0.47 0.01 0.63 -0.63 -3.33 0.00 0.00 175.10 172.26 2bpi s ILE 135 N 0.40 5.02 0.37 7.04 1.01 -1.26 -0.97 121.20 132.82 2bpi s ILE 135 Ca -0.02 1.20 0.08 0.00 0.00 0.00 0.00 60.65 61.92 2bpi s ILE 135 Cb -0.04 -3.95 -0.07 0.00 0.01 0.00 0.00 42.46 38.41 2bpi s ILE 135 CO -0.02 0.12 -0.04 -0.76 0.00 0.00 0.00 174.94 174.25 2bpi s LEU 136 N 1.82 2.82 -0.00 2.97 1.43 -0.52 -4.98 118.68 122.22 2bpi s LEU 136 Ca 0.29 -1.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.15 2bpi s LEU 136 Cb -0.16 -1.00 -0.00 0.00 0.03 0.00 0.00 46.19 45.05 2bpi s LEU 136 CO 0.11 -0.31 -0.02 0.00 0.23 0.00 0.00 176.35 176.35 2bpi s GLN 137 N -3.67 0.19 0.16 1.70 -2.07 -1.26 -1.03 119.66 113.67 2bpi s GLN 137 Ca 0.34 -0.10 0.08 0.00 -1.82 0.00 0.00 55.36 53.86 2bpi s GLN 137 Cb 0.05 -0.17 -0.04 0.00 -1.09 0.00 0.00 33.01 31.77 2bpi s GLN 137 CO 0.18 0.04 -0.18 0.95 -1.32 0.00 0.00 175.29 174.96 2bpi s THR 138 N -0.10 1.75 -0.04 3.63 -4.23 -0.50 -5.00 115.64 111.15 2bpi s THR 138 Ca 0.00 -1.87 -0.03 0.00 -1.18 0.00 0.00 61.69 58.61 2bpi s THR 138 Cb -0.01 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 72.00 2bpi s THR 138 CO -0.00 -0.31 0.12 -2.28 -0.54 0.00 0.00 174.62 171.61 2bpi s HIS 139 N -2.01 3.44 0.00 3.99 2.46 -1.26 -1.24 115.29 120.66 2bpi s HIS 139 Ca 0.14 0.33 0.00 0.00 0.47 0.00 0.00 55.06 56.01 2bpi s HIS 139 Cb -0.06 -1.82 0.00 0.00 -0.13 0.00 0.00 32.58 30.57 2bpi s HIS 139 CO 0.06 0.62 0.00 -0.25 -2.47 0.00 0.00 174.74 172.70 2bpi n ASP 140 N 1.39 0.00 -0.68 9.88 8.00 0.29 -0.63 116.55 134.81 2bpi n ASP 140 Ca -0.15 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.48 2bpi n ASP 140 Cb 0.53 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.80 2bpi n ASP 140 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bpi n ALA 141 N 10.47 2.86 -0.85 2.24 0.00 -1.26 -4.32 120.51 129.64 2bpi n ALA 141 Ca 0.00 -0.61 -0.34 0.00 0.00 0.00 0.00 53.44 52.49 2bpi n ALA 141 Cb 0.00 -0.89 0.10 0.00 0.00 0.00 0.00 19.45 18.66 2bpi n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bpi n GLY 142 N 1.34 -2.57 3.56 0.00 0.00 0.20 -4.54 105.19 103.18 2bpi n GLY 142 Ca 0.13 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.32 2bpi n GLY 142 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bpi s ASN 143 N -1.79 -0.85 0.42 1.61 3.84 -1.26 -4.69 114.94 112.22 2bpi s ASN 143 Ca 0.53 1.38 0.11 0.00 0.21 0.00 0.00 52.86 55.10 2bpi s ASN 143 Cb -0.21 1.26 0.91 0.00 -0.55 0.00 0.00 41.25 42.66 2bpi s ASN 143 CO 0.71 -0.23 1.98 -0.65 -2.79 0.00 0.00 177.10 176.12 2bpi h PRO 144 N 6.94 0.19 -0.05 0.43 0.11 -1.96 -1.98 132.00 135.67 2bpi h PRO 144 Ca -0.31 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.80 2bpi h PRO 144 Cb 1.22 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2bpi h PRO 144 CO 0.18 0.28 -0.19 0.82 -0.21 0.00 0.00 178.00 178.88 2bpi h ILE 145 N 0.19 0.53 -0.61 4.15 2.04 -1.98 -0.34 117.51 121.49 2bpi h ILE 145 Ca 0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.93 2bpi h ILE 145 Cb 0.25 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 2bpi h ILE 145 CO 0.01 0.00 0.37 0.50 0.00 0.00 0.00 178.15 179.03 2bpi h LYS 146 N -0.28 0.70 0.00 2.37 3.64 -1.82 -2.43 116.57 118.75 2bpi h LYS 146 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2bpi h LYS 146 Cb 0.38 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2bpi h LYS 146 CO -0.22 0.47 0.00 -0.25 -2.27 0.00 0.00 179.45 177.18 2bpi n ASP 147 N -4.74 0.58 -3.97 4.20 8.00 -0.78 -4.91 116.55 114.94 2bpi n ASP 147 Ca 0.06 0.63 -0.29 0.00 0.71 0.00 0.00 54.79 55.89 2bpi n ASP 147 Cb 0.08 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 2bpi n ASP 147 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2bpi n ASN 148 N -2.13 -2.87 -0.30 -2.24 4.13 -0.16 -4.91 115.26 106.78 2bpi n ASN 148 Ca 0.03 -0.89 0.10 0.00 1.68 0.00 0.00 54.58 55.49 2bpi n ASN 148 Cb 0.24 -3.45 -0.04 0.00 -1.54 0.00 0.00 39.78 34.99 2bpi n ASN 148 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2bpi n THR 149 N -4.48 0.00 0.00 3.41 -2.24 -1.05 -5.07 114.28 104.85 2bpi n THR 149 Ca -0.08 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2bpi n THR 149 Cb 0.58 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 2bpi n THR 149 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bpi n GLY 150 N 1.39 3.26 3.58 3.38 0.00 -1.26 -4.63 105.19 110.91 2bpi n GLY 150 Ca 0.07 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 2bpi n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bpi s ILE 151 N -2.00 5.21 0.24 -0.61 1.01 -0.28 -3.96 121.20 120.81 2bpi s ILE 151 Ca 0.00 0.29 -0.31 0.00 0.00 0.00 0.00 60.65 60.63 2bpi s ILE 151 Cb 0.00 -3.70 -0.13 0.00 0.01 0.00 0.00 42.46 38.64 2bpi s ILE 151 CO 0.00 0.10 1.41 -2.65 0.00 0.00 0.00 174.94 173.80 2bpi n PRO 152 N 5.28 2.04 -0.03 2.79 -0.02 -1.26 -0.93 135.00 142.87 2bpi n PRO 152 Ca -0.10 0.73 -0.06 0.00 -2.02 0.00 0.00 63.50 62.04 2bpi n PRO 152 Cb 0.51 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 2bpi n PRO 152 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2bpi n ILE 153 N 1.95 0.37 -4.01 4.25 2.08 0.22 -4.88 119.36 119.34 2bpi n ILE 153 Ca 0.12 -0.11 -0.08 0.00 0.56 0.00 0.00 62.75 63.23 2bpi n ILE 153 Cb 0.31 -1.29 -0.10 0.00 -0.75 0.00 0.00 39.64 37.82 2bpi n ILE 153 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2bpi s LEU 154 N -6.02 2.18 0.04 1.39 1.43 -1.08 -4.32 118.68 112.31 2bpi s LEU 154 Ca -0.09 -0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 52.23 2bpi s LEU 154 Cb 0.03 0.34 -0.02 0.00 0.03 0.00 0.00 46.19 46.57 2bpi s LEU 154 CO 0.13 -0.52 0.03 0.28 0.23 0.00 0.00 176.35 176.50 2bpi s THR 155 N -3.05 0.16 -0.03 5.49 -1.32 -1.26 -0.99 115.64 114.64 2bpi s THR 155 Ca -0.01 -1.35 -0.01 0.00 -1.21 0.00 0.00 61.69 59.11 2bpi s THR 155 Cb 0.02 -1.06 0.03 0.00 -1.51 0.00 0.00 72.50 69.97 2bpi s THR 155 CO -0.07 -0.74 0.05 0.00 -2.21 0.00 0.00 174.62 171.65 2bpi s ASP 157 N 1.42 7.24 0.00 0.00 -1.08 -1.26 -1.52 116.67 121.47 2bpi s ASP 157 Ca -0.05 1.49 0.00 0.00 -0.52 0.00 0.00 52.55 53.47 2bpi s ASP 157 Cb -0.13 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 2bpi s ASP 157 CO -0.03 -0.15 0.72 0.00 0.52 0.00 0.00 175.17 176.23 2bpi n ILE 158 N 3.56 0.43 -1.26 4.11 0.13 -0.35 -4.88 119.36 121.08 2bpi n ILE 158 Ca 0.02 -0.71 -0.35 0.00 -1.10 0.00 0.00 62.75 60.60 2bpi n ILE 158 Cb 0.51 0.79 0.09 0.00 -0.84 0.00 0.00 39.64 40.19 2bpi n ILE 158 CO 0.00 0.00 0.00 0.79 2.80 0.00 0.00 176.55 180.14 2bpi n TRP 159 N -0.19 0.38 0.18 9.51 7.02 -1.20 -4.57 117.44 128.56 2bpi n TRP 159 Ca 0.00 0.38 0.04 0.00 -1.02 0.00 0.00 57.50 56.90 2bpi n TRP 159 Cb 0.11 -2.04 0.33 0.00 -2.42 0.00 0.00 31.31 27.29 2bpi n TRP 159 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 2bpi h GLU 160 N -0.46 0.00 0.00 -0.99 5.08 -1.95 -2.53 114.58 113.74 2bpi h GLU 160 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2bpi h GLU 160 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2bpi h GLU 160 CO 0.45 0.42 0.00 1.12 -1.00 0.00 0.00 179.01 180.00 2bpi h HIS 161 N 0.00 0.00 0.00 4.33 2.07 -1.99 -0.46 115.15 119.10 2bpi h HIS 161 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2bpi h HIS 161 Cb 0.87 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.85 2bpi h HIS 161 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 2bpi h ALA 162 N 2.04 1.00 0.00 6.11 0.00 -1.79 -3.38 119.26 123.24 2bpi h ALA 162 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bpi h ALA 162 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2bpi h ALA 162 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 179.25 181.73 2bpi n TYR 163 N -2.38 0.00 -0.10 0.00 0.18 -1.03 -4.95 117.16 108.88 2bpi n TYR 163 Ca 0.05 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.81 2bpi n TYR 163 Cb 0.40 0.00 0.24 0.00 -0.38 0.00 0.00 39.34 39.60 2bpi n TYR 163 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 2bpi h TYR 164 N 0.00 0.77 -0.20 -3.48 3.20 -1.27 0.96 116.97 116.95 2bpi h TYR 164 Ca 0.00 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 2bpi h TYR 164 Cb 0.00 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 2bpi h TYR 164 CO 0.00 0.63 0.08 0.82 -1.64 0.00 0.00 178.16 178.05 2bpi h ILE 165 N 0.74 1.16 0.13 1.81 2.04 -1.86 -0.97 117.51 120.57 2bpi h ILE 165 Ca 0.17 -0.48 -0.31 0.00 1.00 0.00 0.00 64.86 65.25 2bpi h ILE 165 Cb 0.22 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2bpi h ILE 165 CO -0.01 0.15 -1.51 0.44 0.00 0.00 0.00 178.15 177.22 2bpi h ASP 166 N 0.17 0.43 0.00 1.72 3.32 -1.78 -3.41 116.42 116.87 2bpi h ASP 166 Ca 0.07 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2bpi h ASP 166 Cb 0.17 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2bpi h ASP 166 CO -0.01 1.47 0.00 -1.22 -1.72 0.00 0.00 179.24 177.77 2bpi n TYR 167 N -3.48 0.00 -1.27 4.55 4.01 0.33 -5.09 117.16 116.21 2bpi n TYR 167 Ca -0.16 -0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 2bpi n TYR 167 Cb 1.05 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.06 2bpi n TYR 167 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2bpi n ARG 168 N -0.11 0.00 0.00 -0.72 5.12 -0.37 -0.82 116.66 119.76 2bpi n ARG 168 Ca 0.00 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.04 2bpi n ARG 168 Cb 0.08 0.00 0.74 0.00 -1.16 0.00 0.00 32.46 32.12 2bpi n ARG 168 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2bpi n ASN 169 N 1.12 0.00 -3.93 0.55 0.23 -1.26 -4.45 115.26 107.51 2bpi n ASN 169 Ca 0.00 -0.85 -0.43 0.00 -0.53 0.00 0.00 54.58 52.77 2bpi n ASN 169 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2bpi n ASN 169 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2bpi n ASP 170 N -0.98 4.90 -0.20 0.53 2.03 -0.00 -4.74 116.55 118.09 2bpi n ASP 170 Ca 0.19 -3.05 -0.01 0.00 0.52 0.00 0.00 54.79 52.44 2bpi n ASP 170 Cb 0.09 -1.53 0.22 0.00 -0.72 0.00 0.00 41.12 39.18 2bpi n ASP 170 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2bpi h ARG 171 N 6.00 0.97 -0.68 -0.67 2.43 -1.82 -2.70 114.38 117.92 2bpi h ARG 171 Ca 0.42 -0.10 0.06 0.00 -0.81 0.00 0.00 59.98 59.55 2bpi h ARG 171 Cb 0.67 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 2bpi h ARG 171 CO 1.62 0.71 0.45 0.00 -1.51 0.00 0.00 179.97 181.23 2bpi h ALA 172 N 1.45 1.75 -0.00 2.80 0.00 -1.94 -0.37 119.26 122.96 2bpi h ALA 172 Ca 0.25 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 2bpi h ALA 172 Cb 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2bpi h ALA 172 CO -0.04 0.14 -0.80 0.77 0.00 0.00 0.00 179.25 179.32 2bpi h SER 173 N 0.68 0.09 -0.26 0.00 0.02 -1.88 -1.50 113.55 110.70 2bpi h SER 173 Ca 0.29 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2bpi h SER 173 Cb 0.28 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2bpi h SER 173 CO -0.09 0.85 0.12 0.22 -1.14 0.00 0.00 176.83 176.78 2bpi h TYR 174 N 0.04 0.38 0.37 3.45 3.20 -1.25 -2.18 116.97 120.98 2bpi h TYR 174 Ca -0.02 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 2bpi h TYR 174 Cb 1.40 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.56 2bpi h TYR 174 CO 0.01 0.37 -0.19 0.28 -1.64 0.00 0.00 178.16 176.99 2bpi h VAL 175 N 0.28 0.61 -0.82 1.81 2.07 -0.93 -1.11 116.25 118.16 2bpi h VAL 175 Ca 0.09 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.77 2bpi h VAL 175 Cb 0.14 0.61 -0.15 0.00 -1.52 0.00 0.00 31.29 30.36 2bpi h VAL 175 CO -0.01 0.00 -0.21 0.50 0.02 0.00 0.00 177.57 177.87 2bpi h LYS 176 N -0.52 -0.00 -0.04 1.57 3.64 -1.27 -1.58 116.57 118.37 2bpi h LYS 176 Ca -0.05 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 2bpi h LYS 176 Cb 0.40 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2bpi h LYS 176 CO 0.08 -0.00 -0.32 0.00 -2.27 0.00 0.00 179.45 176.94 2bpi h ALA 177 N 1.81 1.41 -0.17 5.00 0.00 -0.85 -2.66 119.26 123.80 2bpi h ALA 177 Ca 0.39 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2bpi h ALA 177 Cb 0.60 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2bpi h ALA 177 CO -0.84 0.43 -0.03 2.35 0.00 0.00 0.00 179.25 181.17 2bpi h TRP 178 N 0.06 0.25 0.00 0.00 7.01 -0.17 -1.94 115.95 121.16 2bpi h TRP 178 Ca 0.01 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.99 2bpi h TRP 178 Cb 0.59 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.58 2bpi h TRP 178 CO 0.00 0.29 0.00 -1.49 -2.79 0.00 0.00 178.44 174.45 2bpi h TRP 179 N 0.25 0.00 0.00 2.65 4.06 -1.46 0.46 115.95 121.91 2bpi h TRP 179 Ca 0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.01 2bpi h TRP 179 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 2bpi h TRP 179 CO 0.00 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 174.97 2bpi n ASN 180 N -3.08 0.54 -0.01 -3.49 5.03 -0.73 -2.18 115.26 111.35 2bpi n ASN 180 Ca -0.02 0.56 0.08 0.00 0.87 0.00 0.00 54.58 56.06 2bpi n ASN 180 Cb 0.12 -0.70 -0.13 0.00 -1.02 0.00 0.00 39.78 38.05 2bpi n ASN 180 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2bpi n LEU 181 N -2.02 0.00 -4.63 3.41 4.77 0.15 -3.06 117.00 115.63 2bpi n LEU 181 Ca 0.06 0.00 -0.49 0.00 -0.03 0.00 0.00 56.01 55.55 2bpi n LEU 181 Cb 0.39 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 2bpi n LEU 181 CO 0.28 0.00 1.03 0.52 -1.33 0.00 0.00 177.39 177.90 2bpi n VAL 182 N -2.07 0.09 -3.48 4.08 0.31 -0.74 -1.47 118.33 115.05 2bpi n VAL 182 Ca -0.03 -0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 63.85 2bpi n VAL 182 Cb 0.43 -1.17 -0.09 0.00 -0.91 0.00 0.00 33.84 32.10 2bpi n VAL 182 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2bpi s ASN 183 N 0.64 5.93 0.31 4.52 3.84 0.53 -0.49 114.94 130.22 2bpi s ASN 183 Ca 0.80 -1.41 0.16 0.00 0.21 0.00 0.00 52.86 52.62 2bpi s ASN 183 Cb -0.81 -2.10 0.40 0.00 -0.55 0.00 0.00 41.25 38.19 2bpi s ASN 183 CO 0.43 -0.60 1.60 -0.50 -2.79 0.00 0.00 177.10 175.24 2bpi h TRP 184 N 8.61 0.00 -0.42 0.43 4.06 -1.92 -2.67 115.95 124.04 2bpi h TRP 184 Ca -0.26 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.56 2bpi h TRP 184 Cb 1.10 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.25 2bpi h TRP 184 CO 0.63 0.50 -0.25 -0.91 -3.56 0.00 0.00 178.44 174.85 2bpi h ASN 185 N 0.00 0.91 -0.18 -3.49 -0.26 -1.92 0.27 115.58 110.91 2bpi h ASN 185 Ca -0.01 -0.35 -0.00 0.00 -0.56 0.00 0.00 56.30 55.38 2bpi h ASN 185 Cb 1.13 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 38.13 2bpi h ASN 185 CO 0.07 1.10 0.10 0.15 -1.06 0.00 0.00 177.43 177.79 2bpi h PHE 186 N 0.76 0.24 -0.37 1.19 3.57 -1.81 -0.33 116.94 120.19 2bpi h PHE 186 Ca 0.10 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.67 2bpi h PHE 186 Cb 0.80 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.38 2bpi h PHE 186 CO 0.05 0.23 -0.13 0.00 -2.23 0.00 0.00 178.31 176.22 2bpi h ALA 187 N 1.00 0.18 0.15 2.41 0.00 -1.24 0.12 119.26 121.87 2bpi h ALA 187 Ca 0.06 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2bpi h ALA 187 Cb 0.06 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2bpi h ALA 187 CO -0.01 -0.50 -0.11 -0.91 0.00 0.00 0.00 179.25 177.72 2bpi h ASN 188 N -0.05 -0.29 -0.79 0.00 2.35 -0.41 0.11 115.58 116.49 2bpi h ASN 188 Ca 0.18 0.02 0.17 0.00 -0.55 0.00 0.00 56.30 56.12 2bpi h ASN 188 Cb 0.33 0.10 -0.15 0.00 0.05 0.00 0.00 38.32 38.65 2bpi h ASN 188 CO -0.41 -0.18 -0.15 -0.33 -1.65 0.00 0.00 177.43 174.71 2bpi h GLU 189 N -0.27 0.02 -0.25 0.81 5.08 -0.74 -1.99 114.58 117.23 2bpi h GLU 189 Ca -0.00 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 2bpi h GLU 189 Cb 0.24 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2bpi h GLU 189 CO -0.01 0.01 -0.37 -0.91 -1.00 0.00 0.00 179.01 176.73 2bpi h ASN 190 N 0.02 0.60 -0.27 1.42 2.35 0.07 -1.86 115.58 117.91 2bpi h ASN 190 Ca 0.40 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.83 2bpi h ASN 190 Cb 0.64 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 2bpi h ASN 190 CO -0.79 0.92 -0.07 0.25 -1.65 0.00 0.00 177.43 176.09 2bpi h LEU 191 N 0.48 0.53 -0.19 1.61 5.85 -0.38 0.13 115.31 123.33 2bpi h LEU 191 Ca 0.05 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.41 2bpi h LEU 191 Cb 0.87 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 2bpi h LEU 191 CO 0.07 0.78 0.10 0.50 -0.34 0.00 0.00 178.44 179.55 2bpi h LYS 192 N 0.27 0.21 -0.11 1.25 3.64 -1.33 0.61 116.57 121.12 2bpi h LYS 192 Ca 0.07 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2bpi h LYS 192 Cb 0.55 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 2bpi h LYS 192 CO 0.03 0.14 -0.09 0.87 -2.27 0.00 0.00 179.45 178.13 2bpi h LYS 193 N 0.22 -0.10 -0.38 1.90 1.57 -1.26 -2.72 116.57 115.79 2bpi h LYS 193 Ca 0.08 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 2bpi h LYS 193 Cb 0.01 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2bpi h LYS 193 CO -0.05 -0.07 -0.14 0.00 -0.57 0.00 0.00 179.45 178.62 2bpi h ALA 194 N 0.97 1.04 -0.13 3.86 0.00 -0.46 -2.45 119.26 122.09 2bpi h ALA 194 Ca 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2bpi h ALA 194 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2bpi h ALA 194 CO -0.17 0.58 0.04 0.52 0.00 0.00 0.00 179.25 180.22 2bpi h MET 195 N 0.62 0.20 -0.99 0.00 2.86 -0.79 -2.29 114.93 114.54 2bpi h MET 195 Ca 0.10 -0.04 0.28 0.00 -2.06 0.00 0.00 59.70 57.98 2bpi h MET 195 Cb 0.59 -0.03 -0.14 0.00 0.06 0.00 0.00 31.60 32.09 2bpi h MET 195 CO 0.04 0.34 0.54 1.96 1.06 0.00 0.00 176.91 180.85 2bpi h GLN 196 N 0.03 0.40 0.00 1.72 4.20 -1.16 -3.52 115.11 116.78 2bpi h GLN 196 Ca 0.04 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2bpi h GLN 196 Cb 0.22 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2bpi h GLN 196 CO -0.00 0.26 0.00 1.17 -0.67 0.00 0.00 178.83 179.59