#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyo n PRO 38 N 0.00 0.13 -2.94 1.64 -0.02 -1.26 -4.94 135.00 127.61 2pyo n PRO 38 Ca 0.00 0.07 -0.41 0.00 -2.02 0.00 0.00 63.50 61.14 2pyo n PRO 38 Cb 0.00 -1.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.98 2pyo n PRO 38 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2pyo s HIS 39 N -1.98 3.55 -0.05 6.00 2.46 -1.26 -5.04 115.29 118.97 2pyo s HIS 39 Ca 0.58 1.34 -0.01 0.00 0.47 0.00 0.00 55.06 57.43 2pyo s HIS 39 Cb -0.34 -2.92 0.03 0.00 -0.13 0.00 0.00 32.58 29.21 2pyo s HIS 39 CO 0.66 -0.02 0.02 1.03 -2.47 0.00 0.00 174.74 173.96 2pyo s ARG 40 N 1.21 0.29 0.54 2.88 0.52 -1.26 -5.13 118.95 117.99 2pyo s ARG 40 Ca 0.41 0.20 -0.19 0.00 -0.52 0.00 0.00 55.73 55.63 2pyo s ARG 40 Cb -0.18 -0.70 -0.06 0.00 0.52 0.00 0.00 34.95 34.53 2pyo s ARG 40 CO 0.19 -0.28 1.09 0.71 0.02 0.00 0.00 175.30 177.02 2pyo s TYR 41 N 1.86 2.82 0.68 -0.53 1.51 -1.26 -5.00 117.35 117.43 2pyo s TYR 41 Ca 0.02 1.55 -0.12 0.00 -1.01 0.00 0.00 57.07 57.52 2pyo s TYR 41 Cb -0.12 -3.16 0.00 0.00 -0.11 0.00 0.00 41.96 38.56 2pyo s TYR 41 CO -0.04 -1.26 1.06 1.03 -1.11 0.00 0.00 175.55 175.23 2pyo s ARG 42 N -3.43 2.98 -0.19 -0.62 0.52 -1.26 -4.93 118.95 112.02 2pyo s ARG 42 Ca 0.69 1.01 -0.32 0.00 -0.52 0.00 0.00 55.73 56.60 2pyo s ARG 42 Cb -0.20 -1.99 -0.09 0.00 0.52 0.00 0.00 34.95 33.19 2pyo s ARG 42 CO 0.27 -1.07 2.09 -2.30 0.02 0.00 0.00 175.30 174.31 2pyo n PRO 43 N -2.94 1.90 0.00 3.54 -0.02 -1.26 -1.66 135.00 134.57 2pyo n PRO 43 Ca 0.08 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2pyo n PRO 43 Cb 0.53 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 2pyo n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pyo n GLY 44 N 5.43 1.74 0.12 -1.23 0.00 -1.26 -4.95 105.19 105.03 2pyo n GLY 44 Ca 0.30 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 2pyo n GLY 44 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2pyo h THR 45 N 0.00 1.32 -0.41 2.61 2.02 -1.68 -1.28 112.91 115.50 2pyo h THR 45 Ca 0.00 -1.11 -0.10 0.00 0.77 0.00 0.00 66.41 65.97 2pyo h THR 45 Cb 0.00 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 2pyo h THR 45 CO 0.00 0.32 -0.16 0.58 0.37 0.00 0.00 175.52 176.64 2pyo h VAL 46 N -0.05 1.26 -0.82 3.16 2.07 -1.93 -2.09 116.25 117.85 2pyo h VAL 46 Ca 0.03 -1.24 0.05 0.00 0.82 0.00 0.00 66.70 66.36 2pyo h VAL 46 Cb 0.54 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 2pyo h VAL 46 CO 0.02 0.42 0.51 0.00 0.02 0.00 0.00 177.57 178.54 2pyo h ALA 47 N 1.14 1.11 -0.17 1.67 0.00 -1.88 0.26 119.26 121.39 2pyo h ALA 47 Ca 0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2pyo h ALA 47 Cb 0.65 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2pyo h ALA 47 CO 0.05 0.29 -0.39 -0.07 0.00 0.00 0.00 179.25 179.13 2pyo h LEU 48 N 0.97 0.39 -0.81 0.00 3.38 -0.94 0.28 115.31 118.58 2pyo h LEU 48 Ca 0.35 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 2pyo h LEU 48 Cb 0.10 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2pyo h LEU 48 CO -0.15 0.74 -0.10 -0.09 0.09 0.00 0.00 178.44 178.94 2pyo h ARG 49 N 0.31 0.79 -0.27 1.13 2.43 -0.58 -2.03 114.38 116.16 2pyo h ARG 49 Ca 0.03 -0.26 -0.19 0.00 -0.81 0.00 0.00 59.98 58.76 2pyo h ARG 49 Cb 0.82 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2pyo h ARG 49 CO 0.07 0.86 -0.56 0.93 -1.51 0.00 0.00 179.97 179.76 2pyo h GLU 50 N 0.72 0.83 -0.63 0.20 5.08 -0.47 0.30 114.58 120.61 2pyo h GLU 50 Ca 0.12 -0.54 0.02 0.00 -1.00 0.00 0.00 59.36 57.97 2pyo h GLU 50 Cb 0.58 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 2pyo h GLU 50 CO 0.04 1.17 0.40 0.82 -1.00 0.00 0.00 179.01 180.43 2pyo h ILE 51 N 0.64 1.10 -0.27 3.13 2.04 -0.75 0.20 117.51 123.60 2pyo h ILE 51 Ca 0.01 -0.27 -0.11 0.00 1.00 0.00 0.00 64.86 65.49 2pyo h ILE 51 Cb 1.16 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2pyo h ILE 51 CO 0.12 0.14 -0.30 0.03 0.00 0.00 0.00 178.15 178.15 2pyo h ARG 52 N 0.79 0.55 -0.10 2.37 3.08 -1.21 -1.80 114.38 118.06 2pyo h ARG 52 Ca 0.25 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 2pyo h ARG 52 Cb -0.01 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2pyo h ARG 52 CO -0.09 0.79 -0.07 -0.09 -1.07 0.00 0.00 179.97 179.44 2pyo h ARG 53 N 0.47 0.22 0.00 0.04 2.43 -0.27 -2.91 114.38 114.36 2pyo h ARG 53 Ca 0.06 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2pyo h ARG 53 Cb 0.76 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2pyo h ARG 53 CO 0.06 0.60 -0.13 1.88 -1.51 0.00 0.00 179.97 180.87 2pyo h TYR 54 N -0.16 0.00 0.00 2.20 -1.99 -1.00 -2.93 116.97 113.08 2pyo h TYR 54 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 2pyo h TYR 54 Cb 0.55 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.28 2pyo h TYR 54 CO 0.08 0.13 0.00 1.96 -0.00 0.00 0.00 178.16 180.33 2pyo h GLN 55 N 0.00 0.00 0.00 4.88 4.20 -1.35 -3.08 115.11 119.76 2pyo h GLN 55 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2pyo h GLN 55 Cb 0.97 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 2pyo h GLN 55 CO 0.02 0.00 -1.18 1.17 -0.67 0.00 0.00 178.83 178.17 2pyo n LYS 56 N -2.60 0.61 -3.32 1.46 4.81 -1.10 -4.94 118.16 113.07 2pyo n LYS 56 Ca 0.04 0.11 -0.20 0.00 -0.87 0.00 0.00 58.31 57.39 2pyo n LYS 56 Cb 0.43 -1.79 0.01 0.00 0.02 0.00 0.00 35.03 33.70 2pyo n LYS 56 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2pyo s SER 57 N -5.35 5.16 0.00 3.14 1.04 -1.15 -5.04 113.70 111.49 2pyo s SER 57 Ca -0.02 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2pyo s SER 57 Cb 0.10 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.03 2pyo s SER 57 CO 0.81 -0.95 0.52 0.35 0.98 0.00 0.00 173.24 174.95 2pyo n THR 58 N -1.86 0.27 -1.25 2.02 -2.24 -1.26 -4.97 114.28 105.01 2pyo n THR 58 Ca 0.07 -0.40 -0.31 0.00 -2.27 0.00 0.00 64.05 61.15 2pyo n THR 58 Cb 0.61 1.09 0.10 0.00 -2.10 0.00 0.00 70.33 70.03 2pyo n THR 58 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2pyo s GLU 59 N -0.27 2.13 0.28 -0.78 1.03 -1.26 -4.98 118.70 114.85 2pyo s GLU 59 Ca 0.00 1.13 -0.29 0.00 0.03 0.00 0.00 54.97 55.84 2pyo s GLU 59 Cb 0.00 -1.88 -0.10 0.00 -0.80 0.00 0.00 34.13 31.35 2pyo s GLU 59 CO 0.00 -1.72 1.15 -0.51 -1.33 0.00 0.00 175.26 172.85 2pyo s LEU 60 N -5.96 4.51 0.00 1.83 1.43 -1.26 -4.94 118.68 114.29 2pyo s LEU 60 Ca 0.61 2.35 0.23 0.00 -1.03 0.00 0.00 54.13 56.29 2pyo s LEU 60 Cb -0.17 -3.63 0.12 0.00 0.03 0.00 0.00 46.19 42.54 2pyo s LEU 60 CO 0.56 -0.25 1.14 0.18 0.23 0.00 0.00 176.35 178.21 2pyo n LEU 61 N 1.29 0.73 -4.81 1.79 4.77 -1.26 -4.89 117.00 114.62 2pyo n LEU 61 Ca -0.00 -0.23 -0.36 0.00 -0.03 0.00 0.00 56.01 55.39 2pyo n LEU 61 Cb 0.44 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.34 2pyo n LEU 61 CO 0.55 0.17 -0.21 -0.63 -1.33 0.00 0.00 177.39 175.95 2pyo s ILE 62 N -3.02 5.18 0.26 -0.08 1.01 -1.26 -5.06 121.20 118.23 2pyo s ILE 62 Ca 0.09 0.09 -0.31 0.00 0.00 0.00 0.00 60.65 60.52 2pyo s ILE 62 Cb 0.17 -3.25 -0.13 0.00 0.01 0.00 0.00 42.46 39.25 2pyo s ILE 62 CO 0.79 0.60 1.41 0.54 0.00 0.00 0.00 174.94 178.28 2pyo n ARG 63 N 2.21 2.13 0.33 2.79 5.12 -1.26 -4.95 116.66 123.04 2pyo n ARG 63 Ca -0.19 0.76 -0.13 0.00 -1.93 0.00 0.00 57.85 56.35 2pyo n ARG 63 Cb 0.54 -2.42 -0.06 0.00 -1.16 0.00 0.00 32.46 29.36 2pyo n ARG 63 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2pyo h LYS 64 N 4.05 -0.82 -0.49 5.56 3.64 -1.97 -2.85 116.57 123.69 2pyo h LYS 64 Ca -0.45 0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.06 2pyo h LYS 64 Cb 1.27 0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 33.21 2pyo h LYS 64 CO 0.74 -0.55 0.13 1.25 -2.27 0.00 0.00 179.45 178.75 2pyo h LEU 65 N -0.89 0.06 -1.64 5.20 5.85 -1.99 -1.32 115.31 120.59 2pyo h LEU 65 Ca -0.09 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.76 2pyo h LEU 65 Cb 0.65 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 2pyo h LEU 65 CO 0.14 0.06 0.31 -0.65 -0.34 0.00 0.00 178.44 177.97 2pyo h PRO 66 N 0.27 0.44 -0.18 5.25 0.11 -1.97 -0.88 132.00 135.04 2pyo h PRO 66 Ca 0.24 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 66.13 2pyo h PRO 66 Cb 0.30 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.32 2pyo h PRO 66 CO -0.29 0.29 -0.66 0.35 -0.21 0.00 0.00 178.00 177.48 2pyo h PHE 67 N 0.45 1.01 -0.13 0.65 3.57 -1.08 -2.70 116.94 118.71 2pyo h PHE 67 Ca 0.20 -0.42 -0.03 0.00 3.53 0.00 0.00 57.97 61.25 2pyo h PHE 67 Cb 0.21 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2pyo h PHE 67 CO -0.00 1.24 -0.05 0.37 -2.23 0.00 0.00 178.31 177.64 2pyo h GLN 68 N 0.49 0.19 -0.09 1.11 4.15 -0.39 -1.32 115.11 119.25 2pyo h GLN 68 Ca -0.03 -0.03 -0.21 0.00 0.77 0.00 0.00 58.65 59.15 2pyo h GLN 68 Cb 1.28 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2pyo h GLN 68 CO 0.14 0.26 -0.79 0.00 -1.93 0.00 0.00 178.83 176.51 2pyo h ARG 69 N 0.19 0.54 -0.86 1.69 3.08 -1.12 -1.79 114.38 116.10 2pyo h ARG 69 Ca 0.04 -0.46 -0.03 0.00 0.07 0.00 0.00 59.98 59.60 2pyo h ARG 69 Cb 0.22 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 2pyo h ARG 69 CO 0.01 1.09 0.41 1.25 -1.07 0.00 0.00 179.97 181.66 2pyo h LEU 70 N 0.35 1.12 -0.41 3.04 5.85 -1.04 -0.31 115.31 123.91 2pyo h LEU 70 Ca -0.05 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.43 2pyo h LEU 70 Cb 1.39 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2pyo h LEU 70 CO 0.15 0.94 -0.15 0.58 -0.34 0.00 0.00 178.44 179.61 2pyo h VAL 71 N 1.22 1.28 -0.35 1.05 2.07 -1.17 -2.20 116.25 118.15 2pyo h VAL 71 Ca 0.29 -1.28 -0.11 0.00 0.82 0.00 0.00 66.70 66.43 2pyo h VAL 71 Cb 0.12 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2pyo h VAL 71 CO -0.04 0.43 -0.22 0.03 0.02 0.00 0.00 177.57 177.80 2pyo h ARG 72 N 0.64 0.68 -0.06 1.57 3.08 -0.99 0.03 114.38 119.34 2pyo h ARG 72 Ca 0.10 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 2pyo h ARG 72 Cb 0.70 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 2pyo h ARG 72 CO 0.05 0.85 0.01 1.49 -1.07 0.00 0.00 179.97 181.30 2pyo h GLU 73 N 0.60 0.11 -0.54 0.04 4.81 -0.98 0.65 114.58 119.27 2pyo h GLU 73 Ca 0.09 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 2pyo h GLU 73 Cb 0.69 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 2pyo h GLU 73 CO 0.05 0.35 0.07 0.82 -0.73 0.00 0.00 179.01 179.57 2pyo h ILE 74 N -0.15 1.26 -0.62 2.32 2.04 -1.27 -2.32 117.51 118.76 2pyo h ILE 74 Ca 0.02 -0.99 -0.06 0.00 1.00 0.00 0.00 64.86 64.83 2pyo h ILE 74 Cb 0.29 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2pyo h ILE 74 CO 0.00 0.36 0.15 0.00 0.00 0.00 0.00 178.15 178.65 2pyo h ALA 75 N 0.98 0.82 -0.66 1.87 0.00 -0.94 -2.98 119.26 118.35 2pyo h ALA 75 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2pyo h ALA 75 Cb 0.43 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2pyo h ALA 75 CO 0.01 0.54 0.42 0.37 0.00 0.00 0.00 179.25 180.59 2pyo h GLN 76 N 0.91 0.88 0.00 0.00 4.15 -0.61 0.11 115.11 120.55 2pyo h GLN 76 Ca 0.19 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.55 2pyo h GLN 76 Cb 0.37 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.86 2pyo h GLN 76 CO 0.00 0.60 0.00 -0.25 -1.93 0.00 0.00 178.83 177.25 2pyo n ASP 77 N -4.42 0.43 -0.08 -0.69 8.00 -0.90 -3.06 116.55 115.84 2pyo n ASP 77 Ca 0.07 0.61 -0.21 0.00 0.71 0.00 0.00 54.79 55.97 2pyo n ASP 77 Cb 0.05 -0.70 -0.12 0.00 -0.02 0.00 0.00 41.12 40.33 2pyo n ASP 77 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2pyo n PHE 78 N -1.98 0.58 -3.71 1.24 0.99 0.23 -4.99 117.46 109.82 2pyo n PHE 78 Ca 0.02 0.14 -0.12 0.00 -0.00 0.00 0.00 57.45 57.50 2pyo n PHE 78 Cb 0.20 -1.07 -0.10 0.00 -1.00 0.00 0.00 39.48 37.50 2pyo n PHE 78 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 2pyo s LYS 79 N -2.52 0.48 0.52 -1.08 2.47 -0.39 -5.14 119.74 114.08 2pyo s LYS 79 Ca -0.30 0.70 -0.02 0.00 -1.56 0.00 0.00 55.97 54.78 2pyo s LYS 79 Cb 0.08 0.16 0.01 0.00 -1.46 0.00 0.00 37.83 36.62 2pyo s LYS 79 CO 0.65 -0.10 0.78 0.95 0.16 0.00 0.00 175.35 177.79 2pyo s THR 80 N 0.67 3.73 -1.65 3.43 -4.23 -1.25 -3.94 115.64 112.40 2pyo s THR 80 Ca -0.04 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 2pyo s THR 80 Cb -0.05 -3.42 0.00 0.00 1.34 0.00 0.00 72.50 70.37 2pyo s THR 80 CO -0.05 -0.36 0.00 0.47 -0.54 0.00 0.00 174.62 174.15 2pyo n ASP 81 N -2.32 -4.91 -4.81 3.99 10.43 -1.26 -5.00 116.55 112.67 2pyo n ASP 81 Ca 0.03 0.33 -0.35 0.00 2.57 0.00 0.00 54.79 57.37 2pyo n ASP 81 Cb 0.58 -3.86 -0.06 0.00 1.84 0.00 0.00 41.12 39.61 2pyo n ASP 81 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2pyo s LEU 82 N -3.83 4.17 0.19 0.64 1.43 -1.26 -5.08 118.68 114.94 2pyo s LEU 82 Ca 0.00 1.59 0.11 0.00 -1.03 0.00 0.00 54.13 54.80 2pyo s LEU 82 Cb 0.00 -4.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.08 2pyo s LEU 82 CO 0.00 -0.16 -0.23 -0.13 0.23 0.00 0.00 176.35 176.06 2pyo s ARG 83 N -2.56 1.55 -0.05 1.70 0.52 -1.26 -5.07 118.95 113.78 2pyo s ARG 83 Ca 0.53 -1.50 0.04 0.00 -0.52 0.00 0.00 55.73 54.28 2pyo s ARG 83 Cb -0.14 -1.87 -0.00 0.00 0.52 0.00 0.00 34.95 33.46 2pyo s ARG 83 CO 0.19 0.40 -0.18 -0.06 0.02 0.00 0.00 175.30 175.67 2pyo s PHE 84 N -1.66 1.81 0.53 -0.53 0.40 -1.26 -5.12 117.98 112.15 2pyo s PHE 84 Ca 0.21 -0.55 -0.20 0.00 -0.60 0.00 0.00 56.93 55.79 2pyo s PHE 84 Cb -0.08 -1.22 -0.06 0.00 0.51 0.00 0.00 43.02 42.17 2pyo s PHE 84 CO 0.10 -0.19 1.17 -0.65 0.70 0.00 0.00 175.22 176.35 2pyo s GLN 85 N 0.09 3.37 0.57 0.44 -0.21 -1.26 -4.88 119.66 117.78 2pyo s GLN 85 Ca -0.06 1.75 0.26 0.00 0.02 0.00 0.00 55.36 57.34 2pyo s GLN 85 Cb -0.12 -2.12 1.66 0.00 1.00 0.00 0.00 33.01 33.42 2pyo s GLN 85 CO 0.03 -0.87 2.21 0.66 -2.12 0.00 0.00 175.29 175.20 2pyo h SER 86 N 1.39 0.00 1.71 5.90 4.64 -2.01 -1.69 113.55 123.49 2pyo h SER 86 Ca -0.50 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 2pyo h SER 86 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2pyo h SER 86 CO 0.57 0.02 -0.03 0.77 -0.87 0.00 0.00 176.83 177.30 2pyo h SER 87 N 0.00 0.00 -0.36 4.97 4.64 -1.99 -2.77 113.55 118.04 2pyo h SER 87 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2pyo h SER 87 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2pyo h SER 87 CO 0.00 0.03 -0.12 0.00 -0.87 0.00 0.00 176.83 175.87 2pyo h ALA 88 N 1.97 0.50 -0.14 5.18 0.00 -1.66 -0.24 119.26 124.88 2pyo h ALA 88 Ca -0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2pyo h ALA 88 Cb 0.89 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2pyo h ALA 88 CO 0.00 0.39 -0.35 0.28 0.00 0.00 0.00 179.25 179.57 2pyo h VAL 89 N 0.51 1.29 -0.18 0.00 2.07 -1.50 -1.99 116.25 116.45 2pyo h VAL 89 Ca 0.09 -1.39 -0.18 0.00 0.82 0.00 0.00 66.70 66.04 2pyo h VAL 89 Cb 0.64 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2pyo h VAL 89 CO 0.04 0.42 -0.63 0.24 0.02 0.00 0.00 177.57 177.67 2pyo h MET 90 N 0.24 0.62 -0.34 1.57 2.86 -1.30 -1.32 114.93 117.26 2pyo h MET 90 Ca 0.03 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 2pyo h MET 90 Cb 0.74 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 2pyo h MET 90 CO 0.06 1.05 0.22 0.00 1.06 0.00 0.00 176.91 179.30 2pyo h ALA 91 N 0.85 0.44 -0.81 6.32 0.00 -0.80 0.11 119.26 125.36 2pyo h ALA 91 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2pyo h ALA 91 Cb 1.20 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2pyo h ALA 91 CO 0.12 -0.09 0.43 -0.07 0.00 0.00 0.00 179.25 179.65 2pyo h LEU 92 N 0.46 1.03 -0.70 0.00 3.38 -1.22 0.40 115.31 118.65 2pyo h LEU 92 Ca 0.12 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2pyo h LEU 92 Cb -0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2pyo h LEU 92 CO -0.03 0.84 -0.15 -0.61 0.09 0.00 0.00 178.44 178.58 2pyo h GLN 93 N 1.13 0.85 -0.49 1.13 4.15 -0.68 0.18 115.11 121.39 2pyo h GLN 93 Ca 0.28 -0.31 -0.13 0.00 0.77 0.00 0.00 58.65 59.27 2pyo h GLN 93 Cb 0.05 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 2pyo h GLN 93 CO -0.04 0.94 -0.19 0.93 -1.93 0.00 0.00 178.83 178.54 2pyo h GLU 94 N 0.76 0.98 -0.30 1.69 4.39 -0.15 -0.41 114.58 121.54 2pyo h GLU 94 Ca 0.12 -0.40 -0.13 0.00 0.34 0.00 0.00 59.36 59.29 2pyo h GLU 94 Cb 0.67 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2pyo h GLU 94 CO 0.05 1.08 -0.34 0.00 -1.16 0.00 0.00 179.01 178.64 2pyo h ALA 95 N 0.92 0.85 -0.26 3.43 0.00 -0.67 -1.54 119.26 122.00 2pyo h ALA 95 Ca 0.12 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 2pyo h ALA 95 Cb 0.76 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2pyo h ALA 95 CO 0.06 0.64 -0.23 0.77 0.00 0.00 0.00 179.25 180.49 2pyo h SER 96 N 0.55 0.65 -0.26 0.00 0.02 -0.35 -1.08 113.55 113.07 2pyo h SER 96 Ca 0.06 -0.46 -0.14 0.00 -0.84 0.00 0.00 61.79 60.40 2pyo h SER 96 Cb 0.84 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2pyo h SER 96 CO 0.07 0.98 -0.36 -0.33 -1.14 0.00 0.00 176.83 176.05 2pyo h GLU 97 N 0.33 0.79 -0.73 3.45 5.08 -1.08 0.07 114.58 122.49 2pyo h GLU 97 Ca 0.04 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 2pyo h GLU 97 Cb 0.78 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 2pyo h GLU 97 CO 0.06 1.02 0.21 0.00 -1.00 0.00 0.00 179.01 179.30 2pyo h ALA 98 N 0.94 0.99 -0.15 3.43 0.00 -1.23 -0.63 119.26 122.61 2pyo h ALA 98 Ca 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2pyo h ALA 98 Cb 0.91 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2pyo h ALA 98 CO 0.08 0.67 0.06 -0.92 0.00 0.00 0.00 179.25 179.14 2pyo h TYR 99 N 1.10 0.24 -0.56 0.00 3.20 -0.92 -1.74 116.97 118.28 2pyo h TYR 99 Ca 0.23 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.99 2pyo h TYR 99 Cb 0.33 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 2pyo h TYR 99 CO 0.03 0.32 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.77 2pyo h LEU 100 N 0.08 0.99 -0.32 2.82 3.38 -0.75 -1.10 115.31 120.41 2pyo h LEU 100 Ca 0.05 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2pyo h LEU 100 Cb 0.19 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2pyo h LEU 100 CO -0.00 1.07 0.21 0.58 0.09 0.00 0.00 178.44 180.38 2pyo h VAL 101 N 0.88 1.09 -0.72 1.22 2.07 -1.10 0.65 116.25 120.35 2pyo h VAL 101 Ca 0.15 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 2pyo h VAL 101 Cb 0.58 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2pyo h VAL 101 CO 0.03 0.09 0.25 1.23 0.02 0.00 0.00 177.57 179.19 2pyo h GLY 102 N 0.43 1.16 1.43 2.17 0.00 -1.14 -1.22 103.07 105.91 2pyo h GLY 102 Ca 0.12 -0.65 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 2pyo h GLY 102 CO -0.02 0.61 -0.12 -2.00 0.00 0.00 0.00 176.54 175.01 2pyo h LEU 103 N 1.05 0.67 -1.25 3.11 5.85 -0.69 -2.05 115.31 121.99 2pyo h LEU 103 Ca 0.24 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 2pyo h LEU 103 Cb 0.25 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2pyo h LEU 103 CO -0.01 0.82 -0.35 -0.26 -0.34 0.00 0.00 178.44 178.29 2pyo h PHE 104 N 0.62 0.04 -0.27 1.25 0.05 -0.28 0.75 116.94 119.11 2pyo h PHE 104 Ca 0.11 -0.01 -0.03 0.00 3.82 0.00 0.00 57.97 61.86 2pyo h PHE 104 Cb 0.57 -0.01 -0.01 0.00 2.00 0.00 0.00 35.95 38.50 2pyo h PHE 104 CO 0.03 0.39 0.05 0.93 -0.18 0.00 0.00 178.31 179.52 2pyo h GLU 105 N 0.03 0.44 -0.71 1.51 5.08 -0.54 -0.95 114.58 119.43 2pyo h GLU 105 Ca 0.00 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2pyo h GLU 105 Cb 0.64 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2pyo h GLU 105 CO 0.05 0.55 0.17 -0.44 -1.00 0.00 0.00 179.01 178.34 2pyo h ASP 106 N 0.26 1.08 -0.57 1.42 3.32 -1.09 -2.05 116.42 118.79 2pyo h ASP 106 Ca 0.08 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 2pyo h ASP 106 Cb 0.32 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2pyo h ASP 106 CO 0.00 1.03 0.32 0.74 -1.72 0.00 0.00 179.24 179.62 2pyo h THR 107 N 1.08 1.18 -0.52 0.35 2.02 -0.78 -1.73 112.91 114.51 2pyo h THR 107 Ca 0.22 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2pyo h THR 107 Cb 0.37 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 2pyo h THR 107 CO 0.00 0.19 0.29 -1.13 0.37 0.00 0.00 175.52 175.24 2pyo h ASN 108 N 0.77 0.64 0.42 4.18 -1.24 -0.82 -0.58 115.58 118.95 2pyo h ASN 108 Ca 0.20 -0.04 -0.10 0.00 0.71 0.00 0.00 56.30 57.07 2pyo h ASN 108 Cb 0.02 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.90 2pyo h ASN 108 CO -0.03 0.51 -0.47 -0.07 -1.29 0.00 0.00 177.43 176.08 2pyo h LEU 109 N 0.73 0.06 -0.38 0.34 3.38 -0.64 -1.95 115.31 116.85 2pyo h LEU 109 Ca 0.19 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 2pyo h LEU 109 Cb 0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2pyo h LEU 109 CO -0.03 0.52 -0.59 0.00 0.09 0.00 0.00 178.44 178.42 2pyo h ALA 111 N 0.81 -0.27 -0.50 0.00 0.00 -1.16 -2.39 119.26 115.74 2pyo h ALA 111 Ca -0.00 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.83 2pyo h ALA 111 Cb 1.17 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2pyo h ALA 111 CO 0.12 -0.53 0.34 0.82 0.00 0.00 0.00 179.25 180.00 2pyo h ILE 112 N -0.53 0.94 0.00 0.00 2.04 -1.39 0.26 117.51 118.83 2pyo h ILE 112 Ca -0.03 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 2pyo h ILE 112 Cb 0.40 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2pyo h ILE 112 CO 0.05 0.07 -0.31 -0.74 0.00 0.00 0.00 178.15 177.21 2pyo h HIS 113 N 0.37 0.00 -0.10 1.37 2.76 -1.06 -0.75 115.15 117.74 2pyo h HIS 113 Ca 0.23 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 2pyo h HIS 113 Cb 0.41 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.37 2pyo h HIS 113 CO -0.00 0.31 0.00 0.00 -1.30 0.00 0.00 177.93 176.94 2pyo n ALA 114 N -2.41 2.55 -2.40 5.26 0.00 0.86 -4.92 120.51 119.46 2pyo n ALA 114 Ca -0.02 -0.43 -0.11 0.00 0.00 0.00 0.00 53.44 52.89 2pyo n ALA 114 Cb 0.38 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.68 2pyo n ALA 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pyo n LYS 115 N 0.06 -1.57 -4.67 0.00 5.02 -0.29 -5.04 118.16 111.68 2pyo n LYS 115 Ca 0.17 0.47 -0.31 0.00 -2.02 0.00 0.00 58.31 56.62 2pyo n LYS 115 Cb 0.28 -4.46 -0.09 0.00 -0.02 0.00 0.00 35.03 30.75 2pyo n LYS 115 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2pyo s ARG 116 N -4.79 2.11 0.00 1.97 0.52 -0.82 -5.00 118.95 112.95 2pyo s ARG 116 Ca 0.07 -2.26 0.00 0.00 -0.52 0.00 0.00 55.73 53.02 2pyo s ARG 116 Cb -0.03 -1.60 0.00 0.00 0.52 0.00 0.00 34.95 33.84 2pyo s ARG 116 CO 0.09 -0.24 0.47 1.33 0.02 0.00 0.00 175.30 176.96 2pyo n VAL 117 N -1.16 0.22 -4.09 3.52 0.24 -1.26 -3.49 118.33 112.30 2pyo n VAL 117 Ca -0.13 -0.35 -0.35 0.00 -2.04 0.00 0.00 64.34 61.47 2pyo n VAL 117 Cb 0.67 1.17 -0.13 0.00 -1.47 0.00 0.00 33.84 34.08 2pyo n VAL 117 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2pyo s THR 118 N -0.22 3.81 0.20 3.34 2.01 -1.26 -5.01 115.64 118.50 2pyo s THR 118 Ca 0.00 -0.36 -0.27 0.00 0.31 0.00 0.00 61.69 61.37 2pyo s THR 118 Cb 0.00 -2.72 -0.08 0.00 0.01 0.00 0.00 72.50 69.71 2pyo s THR 118 CO 0.00 0.43 0.84 0.27 -0.69 0.00 0.00 174.62 175.47 2pyo s ILE 119 N 1.04 4.25 0.26 1.82 -4.36 -1.26 -4.86 121.20 118.08 2pyo s ILE 119 Ca 0.02 1.86 0.05 0.00 -0.26 0.00 0.00 60.65 62.32 2pyo s ILE 119 Cb -0.14 -4.22 -0.06 0.00 1.25 0.00 0.00 42.46 39.29 2pyo s ILE 119 CO 0.01 0.51 -0.04 -0.04 0.24 0.00 0.00 174.94 175.63 2pyo s MET 120 N -1.16 1.47 0.29 0.37 -1.94 -1.26 -5.03 119.30 112.05 2pyo s MET 120 Ca 0.38 -1.74 0.04 0.00 -1.71 0.00 0.00 55.69 52.66 2pyo s MET 120 Cb -0.24 -0.95 0.70 0.00 2.01 0.00 0.00 34.83 36.35 2pyo s MET 120 CO 0.29 -0.01 1.77 -1.35 -0.01 0.00 0.00 175.02 175.70 2pyo h PRO 121 N 2.35 0.69 0.00 2.03 0.11 -2.00 0.29 132.00 135.47 2pyo h PRO 121 Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2pyo h PRO 121 Cb 1.23 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2pyo h PRO 121 CO 0.66 0.46 0.00 1.57 -0.21 0.00 0.00 178.00 180.48 2pyo h LYS 122 N 0.71 0.00 0.14 1.05 2.10 -1.98 -1.45 116.57 117.14 2pyo h LYS 122 Ca 0.56 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.93 2pyo h LYS 122 Cb 0.87 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.23 2pyo h LYS 122 CO -0.39 0.00 -1.18 -0.44 -2.00 0.00 0.00 179.45 175.43 2pyo h ASP 123 N 0.00 0.79 -0.34 7.07 3.32 -0.76 -1.81 116.42 124.69 2pyo h ASP 123 Ca 0.00 -0.86 -0.05 0.00 0.02 0.00 0.00 57.03 56.15 2pyo h ASP 123 Cb 0.25 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2pyo h ASP 123 CO 0.00 1.58 0.03 0.40 -1.72 0.00 0.00 179.24 179.53 2pyo h ILE 124 N 0.13 1.25 -0.70 0.35 2.04 -1.32 -1.21 117.51 118.05 2pyo h ILE 124 Ca -0.19 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 2pyo h ILE 124 Cb 1.89 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 39.09 2pyo h ILE 124 CO 0.23 0.30 0.26 1.56 0.00 0.00 0.00 178.15 180.50 2pyo h GLN 125 N 0.41 1.03 -0.16 2.37 4.20 -1.35 0.18 115.11 121.80 2pyo h GLN 125 Ca 0.10 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 2pyo h GLN 125 Cb 0.40 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2pyo h GLN 125 CO 0.01 0.85 0.02 1.25 -0.67 0.00 0.00 178.83 180.29 2pyo h LEU 126 N 1.01 0.27 -0.54 1.46 5.85 -1.07 -1.17 115.31 121.13 2pyo h LEU 126 Ca 0.23 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2pyo h LEU 126 Cb 0.21 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2pyo h LEU 126 CO -0.02 0.48 0.32 0.00 -0.34 0.00 0.00 178.44 178.89 2pyo h ALA 127 N 0.80 0.68 -0.05 1.25 0.00 -0.89 -1.95 119.26 119.10 2pyo h ALA 127 Ca 0.05 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2pyo h ALA 127 Cb 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2pyo h ALA 127 CO 0.01 0.16 -0.32 0.00 0.00 0.00 0.00 179.25 179.10 2pyo h ARG 128 N 0.72 0.10 -0.02 0.00 3.08 -0.54 -1.22 114.38 116.50 2pyo h ARG 128 Ca 0.19 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2pyo h ARG 128 Cb -0.02 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 2pyo h ARG 128 CO -0.04 0.41 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.16 2pyo h ARG 129 N 0.09 0.06 -0.25 0.04 2.43 -0.86 -1.15 114.38 114.73 2pyo h ARG 129 Ca 0.01 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2pyo h ARG 129 Cb 0.62 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2pyo h ARG 129 CO 0.05 0.56 0.08 0.82 -1.51 0.00 0.00 179.97 179.97 2pyo h ILE 130 N -0.44 1.11 0.00 1.20 2.04 -1.27 -1.17 117.51 118.98 2pyo h ILE 130 Ca 0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2pyo h ILE 130 Cb 0.55 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2pyo h ILE 130 CO 0.01 0.13 0.00 0.54 0.00 0.00 0.00 178.15 178.83 2pyo n ARG 131 N -4.42 0.10 -0.42 2.37 1.74 -0.47 -4.87 116.66 110.69 2pyo n ARG 131 Ca 0.01 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 2pyo n ARG 131 Cb 0.14 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 2pyo n ARG 131 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pyo n GLY 132 N 0.15 1.24 0.00 -0.13 0.00 -0.44 -4.86 105.19 101.15 2pyo n GLY 132 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 2pyo n GLY 132 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pyo n GLU 133 N -2.00 0.19 -2.64 1.61 1.02 -0.47 -4.86 120.64 113.50 2pyo n GLU 133 Ca 0.00 0.16 -0.06 0.00 -0.02 0.00 0.00 57.16 57.23 2pyo n GLU 133 Cb 0.00 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 29.91 2pyo n GLU 133 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2pyo n ARG 134 N -1.29 0.40 0.00 3.49 5.12 -1.13 -4.95 116.66 118.30 2pyo n ARG 134 Ca 0.06 -1.29 0.11 0.00 -1.93 0.00 0.00 57.85 54.80 2pyo n ARG 134 Cb 0.11 1.32 0.09 0.00 -1.16 0.00 0.00 32.46 32.82 2pyo n ARG 134 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70