#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyo s GLN 10 N 0.00 0.33 -0.32 1.96 -1.52 -1.26 -5.05 119.66 113.79 1pyo s GLN 10 Ca 0.00 -0.18 -0.11 0.00 -1.95 0.00 0.00 55.36 53.11 1pyo s GLN 10 Cb 0.00 -0.30 -0.01 0.00 -0.22 0.00 0.00 33.01 32.48 1pyo s GLN 10 CO 0.00 0.08 0.20 0.08 -0.25 0.00 0.00 175.29 175.40 1pyo s VAL 11 N -0.19 4.97 0.23 1.09 1.01 -1.26 -5.06 120.40 121.19 1pyo s VAL 11 Ca 0.01 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 1pyo s VAL 11 Cb -0.02 -3.53 -0.10 0.00 0.00 0.00 0.00 36.38 32.73 1pyo s VAL 11 CO -0.00 0.04 1.41 -0.75 0.00 0.00 0.00 175.10 175.79 1pyo s LYS 12 N 1.67 4.30 0.48 2.72 2.47 -1.26 -4.99 119.74 125.13 1pyo s LYS 12 Ca 0.05 2.24 -0.17 0.00 -1.56 0.00 0.00 55.97 56.53 1pyo s LYS 12 Cb -0.17 -3.13 -0.09 0.00 -1.46 0.00 0.00 37.83 32.98 1pyo s LYS 12 CO 0.09 -0.38 0.95 -1.25 0.16 0.00 0.00 175.35 174.92 1pyo s PRO 13 N -0.27 4.01 0.58 4.03 0.04 -1.26 -5.06 135.00 137.08 1pyo s PRO 13 Ca 0.59 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.47 1pyo s PRO 13 Cb -0.40 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.91 1pyo s PRO 13 CO 0.42 -0.18 0.99 0.00 0.04 0.00 0.00 177.00 178.27 1pyo s THR 15 N -3.00 5.04 0.31 0.00 -4.23 -1.26 -4.97 115.64 107.53 1pyo s THR 15 Ca 0.55 -0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1pyo s THR 15 Cb -0.11 -3.84 0.27 0.00 1.34 0.00 0.00 72.50 70.16 1pyo s THR 15 CO 0.48 -0.60 1.96 -0.65 -0.54 0.00 0.00 174.62 175.27 1pyo h PRO 16 N 0.76 0.99 -0.65 3.99 0.11 -2.00 -1.55 132.00 133.66 1pyo h PRO 16 Ca -0.49 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 1pyo h PRO 16 Cb 1.21 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 1pyo h PRO 16 CO 0.62 0.65 0.27 0.93 -0.21 0.00 0.00 178.00 180.26 1pyo h GLU 17 N 1.02 0.97 -0.33 1.05 3.07 -1.99 -0.83 114.58 117.54 1pyo h GLU 17 Ca 0.32 -0.17 -0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1pyo h GLU 17 Cb 0.01 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.74 1pyo h GLU 17 CO -0.09 0.81 0.20 0.35 -1.40 0.00 0.00 179.01 178.87 1pyo h PHE 18 N 0.91 0.43 -0.05 4.33 3.57 -1.70 -1.97 116.94 122.46 1pyo h PHE 18 Ca 0.22 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.73 1pyo h PHE 18 Cb 0.20 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1pyo h PHE 18 CO 0.01 0.31 -0.04 -0.92 -2.23 0.00 0.00 178.31 175.45 1pyo h TYR 19 N 0.42 -0.10 -0.61 0.41 3.20 -1.04 -1.90 116.97 117.35 1pyo h TYR 19 Ca 0.12 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.07 1pyo h TYR 19 Cb 0.01 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 1pyo h TYR 19 CO -0.04 -0.07 0.40 1.96 -1.64 0.00 0.00 178.16 178.78 1pyo h GLN 20 N -0.05 0.49 -0.01 1.82 1.08 -0.94 -0.06 115.11 117.45 1pyo h GLN 20 Ca 0.04 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1pyo h GLN 20 Cb 0.10 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1pyo h GLN 20 CO -0.08 0.33 -0.22 0.25 -0.95 0.00 0.00 178.83 178.16 1pyo n THR 21 N -4.48 0.00 0.00 -0.54 -2.24 -0.76 -4.36 114.28 101.90 1pyo n THR 21 Ca 0.09 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1pyo n THR 21 Cb 0.30 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1pyo n THR 21 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1pyo n HIS 22 N -0.42 0.00 0.21 4.78 8.25 -0.75 -4.81 115.22 122.48 1pyo n HIS 22 Ca 0.13 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.64 1pyo n HIS 22 Cb 0.36 0.00 0.44 0.00 1.12 0.00 0.00 29.99 31.91 1pyo n HIS 22 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1pyo h PHE 23 N 0.00 0.00 -0.25 4.41 -0.00 -1.23 -3.12 116.94 116.75 1pyo h PHE 23 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 57.92 1pyo h PHE 23 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 35.94 1pyo h PHE 23 CO 0.00 0.28 -0.07 1.96 -0.00 0.00 0.00 178.31 180.48 1pyo h GLN 24 N 0.00 0.39 -0.48 6.09 4.20 -1.84 -2.94 115.11 120.52 1pyo h GLN 24 Ca -0.00 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1pyo h GLN 24 Cb 0.52 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1pyo h GLN 24 CO 0.04 0.47 0.00 1.28 -0.67 0.00 0.00 178.83 179.95 1pyo n LEU 25 N -4.27 4.71 -4.47 1.46 4.77 -1.18 -4.97 117.00 113.05 1pyo n LEU 25 Ca 0.00 -2.75 -0.23 0.00 -0.03 0.00 0.00 56.01 53.00 1pyo n LEU 25 Cb 0.26 -0.58 -0.10 0.00 -2.33 0.00 0.00 43.42 40.67 1pyo n LEU 25 CO 0.39 0.70 -0.36 0.00 -1.33 0.00 0.00 177.39 176.79 1pyo s ALA 26 N -2.40 2.53 0.52 -1.18 0.00 -1.11 -5.10 121.76 115.03 1pyo s ALA 26 Ca 0.48 -1.98 -0.22 0.00 0.00 0.00 0.00 51.96 50.23 1pyo s ALA 26 Cb 0.35 0.17 -0.06 0.00 0.00 0.00 0.00 23.12 23.58 1pyo s ALA 26 CO 0.16 -0.06 1.33 0.66 0.00 0.00 0.00 175.76 177.86 1pyo n TYR 27 N -0.66 2.24 -1.69 0.00 4.01 -1.26 -4.88 117.16 114.91 1pyo n TYR 27 Ca -0.05 0.44 -0.43 0.00 -0.16 0.00 0.00 57.90 57.70 1pyo n TYR 27 Cb 0.64 -2.36 -0.03 0.00 -0.31 0.00 0.00 39.34 37.27 1pyo n TYR 27 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1pyo n ARG 28 N -0.79 2.70 -2.90 -0.72 0.63 -1.26 -4.91 116.66 109.41 1pyo n ARG 28 Ca 0.10 0.98 -0.11 0.00 -0.92 0.00 0.00 57.85 57.90 1pyo n ARG 28 Cb 0.44 -2.85 -0.00 0.00 0.45 0.00 0.00 32.46 30.49 1pyo n ARG 28 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1pyo n LEU 29 N 5.23 -2.47 0.00 6.15 0.00 -1.26 -4.83 117.00 119.81 1pyo n LEU 29 Ca 0.18 -3.44 0.00 0.00 0.00 0.00 0.00 56.01 52.75 1pyo n LEU 29 Cb 0.36 0.74 0.00 0.00 0.00 0.00 0.00 43.42 44.51 1pyo n LEU 29 CO 0.66 1.96 0.04 0.00 0.00 0.00 0.00 177.39 180.05 1pyo n GLN 30 N 2.41 -0.16 -1.30 1.96 1.13 -1.26 -5.08 117.38 115.07 1pyo n GLN 30 Ca 0.18 -0.09 -0.33 0.00 -1.94 0.00 0.00 57.00 54.82 1pyo n GLN 30 Cb 0.56 -0.58 0.10 0.00 0.11 0.00 0.00 30.24 30.43 1pyo n GLN 30 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1pyo s SER 31 N -0.00 4.01 -0.21 1.08 1.04 -1.26 -4.95 113.70 113.40 1pyo s SER 31 Ca 0.00 2.29 -0.00 0.00 0.48 0.00 0.00 55.95 58.72 1pyo s SER 31 Cb 0.00 -2.58 0.06 0.00 0.10 0.00 0.00 66.02 63.60 1pyo s SER 31 CO 0.00 -2.38 -0.03 -0.13 0.98 0.00 0.00 173.24 171.68 1pyo s ARG 32 N -4.10 1.35 0.84 4.02 1.81 -1.26 -2.47 118.95 119.14 1pyo s ARG 32 Ca 0.72 -0.77 -0.11 0.00 -1.72 0.00 0.00 55.73 53.85 1pyo s ARG 32 Cb -0.27 -2.38 0.10 0.00 -0.45 0.00 0.00 34.95 31.95 1pyo s ARG 32 CO 0.48 -0.58 1.09 -1.25 -0.68 0.00 0.00 175.30 174.36 1pyo s PRO 33 N 1.55 1.69 0.53 3.54 0.04 -1.26 -5.04 135.00 136.05 1pyo s PRO 33 Ca -0.04 0.96 0.28 0.00 0.04 0.00 0.00 61.00 62.24 1pyo s PRO 33 Cb -0.18 -1.85 1.49 0.00 0.04 0.00 0.00 34.50 34.01 1pyo s PRO 33 CO -0.07 -1.98 2.09 0.00 0.04 0.00 0.00 177.00 177.09 1pyo h ARG 34 N -1.36 0.00 0.00 4.56 2.47 -0.58 -3.42 114.38 116.05 1pyo h ARG 34 Ca -0.47 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1pyo h ARG 34 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1pyo h ARG 34 CO 0.53 0.10 0.00 0.41 0.56 0.00 0.00 179.97 181.58 1pyo n GLY 35 N -0.76 -0.28 3.88 0.04 0.00 -1.26 -2.27 105.19 104.54 1pyo n GLY 35 Ca -0.02 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 1pyo n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pyo s LEU 36 N 0.00 4.23 -0.00 0.99 1.43 -1.25 -1.54 118.68 122.53 1pyo s LEU 36 Ca 0.00 0.76 0.04 0.00 -1.03 0.00 0.00 54.13 53.90 1pyo s LEU 36 Cb 0.00 -3.47 -0.01 0.00 0.03 0.00 0.00 46.19 42.74 1pyo s LEU 36 CO 0.00 0.00 -0.13 0.00 0.23 0.00 0.00 176.35 176.46 1pyo s ALA 37 N -1.71 1.04 -0.09 4.21 0.00 -0.19 -1.99 121.76 123.03 1pyo s ALA 37 Ca 0.43 -0.57 0.04 0.00 0.00 0.00 0.00 51.96 51.86 1pyo s ALA 37 Cb -0.12 -0.25 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 1pyo s ALA 37 CO 0.23 0.24 -0.23 -1.17 0.00 0.00 0.00 175.76 174.83 1pyo s LEU 38 N -0.41 2.06 -0.25 0.00 2.96 0.22 0.41 118.68 123.67 1pyo s LEU 38 Ca 0.04 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 1pyo s LEU 38 Cb -0.05 -1.37 0.04 0.00 0.50 0.00 0.00 46.19 45.31 1pyo s LEU 38 CO -0.00 0.16 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.41 1pyo s VAL 39 N 0.29 2.48 -0.28 1.68 1.01 -0.17 -0.50 120.40 124.92 1pyo s VAL 39 Ca -0.17 -1.31 -0.02 0.00 0.00 0.00 0.00 61.98 60.48 1pyo s VAL 39 Cb -0.17 -2.33 0.04 0.00 0.00 0.00 0.00 36.38 33.91 1pyo s VAL 39 CO 0.08 0.12 -0.02 -0.22 0.00 0.00 0.00 175.10 175.06 1pyo s LEU 40 N 1.22 3.64 -0.15 3.92 0.20 -0.38 -1.42 118.68 125.72 1pyo s LEU 40 Ca -0.04 -1.10 0.02 0.00 0.69 0.00 0.00 54.13 53.70 1pyo s LEU 40 Cb -0.18 -1.70 0.01 0.00 -0.43 0.00 0.00 46.19 43.89 1pyo s LEU 40 CO -0.06 -0.21 -0.22 -0.44 -0.29 0.00 0.00 176.35 175.14 1pyo s SER 41 N 1.29 3.11 -0.21 3.68 0.01 -0.15 -0.82 113.70 120.61 1pyo s SER 41 Ca -0.03 -0.61 -0.03 0.00 1.31 0.00 0.00 55.95 56.59 1pyo s SER 41 Cb -0.19 -1.45 -0.01 0.00 0.21 0.00 0.00 66.02 64.59 1pyo s SER 41 CO -0.02 0.07 -0.06 0.20 0.41 0.00 0.00 173.24 173.84 1pyo s ASN 42 N 0.88 4.25 0.00 2.44 0.01 0.10 -0.98 114.94 121.63 1pyo s ASN 42 Ca -0.05 -0.38 0.00 0.00 -0.71 0.00 0.00 52.86 51.71 1pyo s ASN 42 Cb -0.15 -1.72 0.00 0.00 0.41 0.00 0.00 41.25 39.79 1pyo s ASN 42 CO -0.03 0.01 0.00 0.52 -1.51 0.00 0.00 177.10 176.08 1pyo n VAL 43 N 4.60 0.00 -3.91 1.60 0.31 -1.26 -4.34 118.33 115.33 1pyo n VAL 43 Ca -0.18 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.79 1pyo n VAL 43 Cb 0.51 -0.69 -0.13 0.00 -0.91 0.00 0.00 33.84 32.62 1pyo n VAL 43 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1pyo s HIS 44 N -1.87 3.03 0.00 3.52 3.76 -1.26 -0.81 115.29 121.66 1pyo s HIS 44 Ca 0.00 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 1pyo s HIS 44 Cb 0.00 -2.14 0.00 0.00 1.11 0.00 0.00 32.58 31.55 1pyo s HIS 44 CO 0.00 -0.38 0.00 1.19 -0.85 0.00 0.00 174.74 174.70 1pyo n PHE 45 N 4.65 0.00 -1.15 1.40 3.01 -1.26 -4.74 117.46 119.36 1pyo n PHE 45 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 1pyo n PHE 45 Cb 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 1pyo n PHE 45 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1pyo n THR 46 N 0.00 -2.31 0.00 4.37 -1.04 -1.25 -4.94 114.28 109.11 1pyo n THR 46 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1pyo n THR 46 Cb 0.00 -2.89 0.00 0.00 -1.82 0.00 0.00 70.33 65.62 1pyo n THR 46 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pyo n GLY 47 N 0.22 -0.10 0.00 3.41 0.00 -1.26 -4.78 105.19 102.69 1pyo n GLY 47 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1pyo n GLY 47 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pyo n GLU 48 N -2.04 2.30 0.00 1.61 0.28 -1.26 -4.95 120.64 116.59 1pyo n GLU 48 Ca 0.00 -1.29 0.00 0.00 -0.16 0.00 0.00 57.16 55.71 1pyo n GLU 48 Cb 0.00 -0.94 0.00 0.00 1.43 0.00 0.00 31.44 31.93 1pyo n GLU 48 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1pyo n LYS 49 N -0.40 0.00 0.00 3.44 3.00 -1.26 -4.53 118.16 118.41 1pyo n LYS 49 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.39 1pyo n LYS 49 Cb 0.25 -2.26 0.49 0.00 0.00 0.00 0.00 35.03 33.52 1pyo n LYS 49 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1pyo n GLU 50 N -1.01 0.70 -3.44 1.64 -0.58 -1.26 -4.09 120.64 112.61 1pyo n GLU 50 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 1pyo n GLU 50 Cb 0.00 -1.37 -0.02 0.00 -0.57 0.00 0.00 31.44 29.48 1pyo n GLU 50 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1pyo s LEU 51 N -1.74 6.14 0.44 -4.62 1.43 -1.26 -5.06 118.68 114.01 1pyo s LEU 51 Ca 0.25 -3.47 -0.22 0.00 -1.03 0.00 0.00 54.13 49.65 1pyo s LEU 51 Cb 0.11 -2.11 -0.09 0.00 0.03 0.00 0.00 46.19 44.14 1pyo s LEU 51 CO 0.19 -0.30 1.05 -1.61 0.23 0.00 0.00 176.35 175.91 1pyo s GLU 52 N -1.04 3.97 0.03 1.70 2.02 -1.26 -3.80 118.70 120.33 1pyo s GLU 52 Ca 0.27 1.45 -0.39 0.00 0.02 0.00 0.00 54.97 56.32 1pyo s GLU 52 Cb -0.10 -2.32 -0.19 0.00 0.10 0.00 0.00 34.13 31.62 1pyo s GLU 52 CO -0.09 -0.30 1.17 0.34 0.02 0.00 0.00 175.26 176.40 1pyo n PHE 53 N -0.52 0.95 -3.02 1.61 7.35 -1.26 -4.83 117.46 117.75 1pyo n PHE 53 Ca 0.07 0.91 -0.44 0.00 -0.76 0.00 0.00 57.45 57.23 1pyo n PHE 53 Cb 0.51 -2.18 -0.00 0.00 0.35 0.00 0.00 39.48 38.16 1pyo n PHE 53 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1pyo s ARG 54 N 0.18 4.03 0.19 -4.13 0.52 0.01 -4.98 118.95 114.76 1pyo s ARG 54 Ca 0.89 -2.57 -0.32 0.00 -0.52 0.00 0.00 55.73 53.21 1pyo s ARG 54 Cb -1.16 -4.95 -0.11 0.00 0.52 0.00 0.00 34.95 29.25 1pyo s ARG 54 CO 0.53 -1.67 1.73 0.45 0.02 0.00 0.00 175.30 176.36 1pyo s SER 55 N 2.68 6.41 0.00 0.23 0.15 -1.26 -0.81 113.70 121.10 1pyo s SER 55 Ca 0.39 2.82 0.00 0.00 0.70 0.00 0.00 55.95 59.86 1pyo s SER 55 Cb -0.04 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1pyo s SER 55 CO -0.03 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.06 1pyo n GLY 56 N 4.01 1.00 0.28 9.45 0.00 -1.26 -4.91 105.19 113.76 1pyo n GLY 56 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 1pyo n GLY 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pyo h GLY 57 N 0.00 0.00 1.48 -0.02 0.00 -1.39 -2.16 103.07 100.99 1pyo h GLY 57 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1pyo h GLY 57 CO 0.00 0.00 -0.39 -0.55 0.00 0.00 0.00 176.54 175.60 1pyo h ASP 58 N 0.00 0.60 -0.42 0.19 3.45 -1.91 -1.99 116.42 116.34 1pyo h ASP 58 Ca -0.00 -0.26 -0.08 0.00 0.43 0.00 0.00 57.03 57.11 1pyo h ASP 58 Cb 0.21 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.80 1pyo h ASP 58 CO 0.01 0.93 -0.07 0.58 -1.57 0.00 0.00 179.24 179.12 1pyo h VAL 59 N 0.47 1.27 -0.30 -1.35 2.07 -1.80 -1.79 116.25 114.82 1pyo h VAL 59 Ca 0.04 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.44 1pyo h VAL 59 Cb 0.88 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1pyo h VAL 59 CO 0.08 0.39 0.15 0.44 0.02 0.00 0.00 177.57 178.65 1pyo h ASP 60 N 0.61 0.23 0.07 0.57 3.32 -1.32 -0.35 116.42 119.55 1pyo h ASP 60 Ca 0.11 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1pyo h ASP 60 Cb 0.59 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1pyo h ASP 60 CO 0.04 0.17 -0.07 -0.74 -1.72 0.00 0.00 179.24 176.92 1pyo h HIS 61 N 0.32 -0.17 -0.69 4.55 2.76 -1.24 -1.57 115.15 119.10 1pyo h HIS 61 Ca 0.12 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.25 1pyo h HIS 61 Cb 0.04 0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.03 1pyo h HIS 61 CO -0.09 -0.10 0.26 0.66 -1.30 0.00 0.00 177.93 177.35 1pyo h SER 62 N -0.15 0.96 -0.54 3.26 4.64 -1.16 -1.62 113.55 118.93 1pyo h SER 62 Ca 0.00 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.14 1pyo h SER 62 Cb 0.14 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 1pyo h SER 62 CO -0.01 0.87 0.21 0.74 -0.87 0.00 0.00 176.83 177.77 1pyo h THR 63 N 1.01 1.22 -0.28 2.95 2.02 -0.85 -1.90 112.91 117.08 1pyo h THR 63 Ca 0.23 -0.69 -0.16 0.00 0.77 0.00 0.00 66.41 66.55 1pyo h THR 63 Cb 0.23 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1pyo h THR 63 CO -0.02 0.26 -0.46 -0.07 0.37 0.00 0.00 175.52 175.61 1pyo h LEU 64 N 0.74 0.89 -0.44 2.58 3.38 -1.09 -0.10 115.31 121.28 1pyo h LEU 64 Ca 0.18 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.66 1pyo h LEU 64 Cb 0.21 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1pyo h LEU 64 CO -0.01 1.24 0.23 0.58 0.09 0.00 0.00 178.44 180.57 1pyo h VAL 65 N 0.58 0.99 -0.24 1.22 2.07 -1.21 0.81 116.25 120.46 1pyo h VAL 65 Ca 0.02 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1pyo h VAL 65 Cb 1.06 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1pyo h VAL 65 CO 0.10 0.08 0.09 0.74 0.02 0.00 0.00 177.57 178.61 1pyo h THR 66 N 0.46 1.18 0.22 2.57 2.02 -1.27 -1.88 112.91 116.21 1pyo h THR 66 Ca 0.19 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1pyo h THR 66 Cb 0.08 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1pyo h THR 66 CO -0.12 0.18 -0.22 0.25 0.37 0.00 0.00 175.52 175.98 1pyo h LEU 67 N 0.23 -0.60 -1.13 2.58 5.85 -0.66 -1.00 115.31 120.58 1pyo h LEU 67 Ca 0.08 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1pyo h LEU 67 Cb 0.20 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1pyo h LEU 67 CO -0.00 -0.33 0.35 -0.26 -0.34 0.00 0.00 178.44 177.85 1pyo h PHE 68 N -0.48 0.94 -0.45 1.25 0.04 -0.84 -0.43 116.94 116.97 1pyo h PHE 68 Ca -0.00 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1pyo h PHE 68 Cb 0.45 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 1pyo h PHE 68 CO -0.16 0.67 0.22 0.87 -0.60 0.00 0.00 178.31 179.31 1pyo h LYS 69 N 0.96 0.65 0.00 1.51 1.57 -1.15 -0.99 116.57 119.12 1pyo h LYS 69 Ca 0.24 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1pyo h LYS 69 Cb 0.06 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1pyo h LYS 69 CO -0.03 0.55 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.17 1pyo h LEU 70 N 0.59 0.00 -0.40 2.94 3.38 -0.53 -1.21 115.31 120.08 1pyo h LEU 70 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1pyo h LEU 70 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1pyo h LEU 70 CO -0.02 0.16 0.00 0.18 0.09 0.00 0.00 178.44 178.85 1pyo n LEU 71 N -3.61 0.61 0.00 1.67 4.77 -0.23 -4.87 117.00 115.34 1pyo n LEU 71 Ca -0.01 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1pyo n LEU 71 Cb 0.29 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1pyo n LEU 71 CO 0.31 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1pyo n GLY 72 N 1.04 0.79 3.93 -0.72 0.00 -0.46 -4.82 105.19 104.95 1pyo n GLY 72 Ca 0.21 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1pyo n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pyo s TYR 73 N -2.00 3.50 -0.38 1.61 1.51 -0.41 -0.68 117.35 120.49 1pyo s TYR 73 Ca 0.00 0.25 -0.19 0.00 -1.01 0.00 0.00 57.07 56.12 1pyo s TYR 73 Cb 0.00 -1.77 0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1pyo s TYR 73 CO 0.00 0.51 0.53 0.34 -1.11 0.00 0.00 175.55 175.82 1pyo s ASP 74 N -2.89 6.30 -0.10 2.29 2.15 -0.59 -4.25 116.67 119.58 1pyo s ASP 74 Ca 0.36 -0.20 -0.20 0.00 0.43 0.00 0.00 52.55 52.94 1pyo s ASP 74 Cb -0.12 -2.27 -0.04 0.00 -0.30 0.00 0.00 42.92 40.19 1pyo s ASP 74 CO 0.28 -0.57 0.54 -0.69 -0.17 0.00 0.00 175.17 174.57 1pyo s VAL 75 N 2.46 5.15 0.05 1.11 1.01 -1.26 -1.02 120.40 127.89 1pyo s VAL 75 Ca 0.19 1.10 0.03 0.00 0.00 0.00 0.00 61.98 63.30 1pyo s VAL 75 Cb -0.15 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1pyo s VAL 75 CO 0.15 0.30 -0.01 -1.00 0.00 0.00 0.00 175.10 174.54 1pyo s HIS 76 N 0.68 3.00 0.01 5.22 3.76 0.17 -4.94 115.29 123.18 1pyo s HIS 76 Ca 0.29 0.01 0.04 0.00 -0.15 0.00 0.00 55.06 55.25 1pyo s HIS 76 Cb -0.16 -1.59 -0.01 0.00 1.11 0.00 0.00 32.58 31.93 1pyo s HIS 76 CO 0.13 0.46 -0.12 0.14 -0.85 0.00 0.00 174.74 174.49 1pyo s VAL 77 N -1.19 0.95 -0.02 -0.90 -7.23 -1.26 -0.99 120.40 109.75 1pyo s VAL 77 Ca 0.22 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 1pyo s VAL 77 Cb -0.12 -0.83 0.02 0.00 0.56 0.00 0.00 36.38 36.01 1pyo s VAL 77 CO 0.14 0.13 0.00 -0.76 -0.31 0.00 0.00 175.10 174.31 1pyo s LEU 78 N -0.64 1.40 0.00 1.32 1.43 -0.51 -4.96 118.68 116.73 1pyo s LEU 78 Ca 0.03 -0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.17 1pyo s LEU 78 Cb -0.06 -0.14 -0.01 0.00 0.03 0.00 0.00 46.19 46.01 1pyo s LEU 78 CO 0.00 -0.07 -0.16 0.00 0.23 0.00 0.00 176.35 176.35 1pyo n ASP 80 N 2.49 -5.00 -4.76 0.00 8.00 -0.15 -4.98 116.55 112.15 1pyo n ASP 80 Ca -0.15 -0.97 -0.29 0.00 0.71 0.00 0.00 54.79 54.10 1pyo n ASP 80 Cb 0.54 -2.14 -0.06 0.00 -0.02 0.00 0.00 41.12 39.43 1pyo n ASP 80 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1pyo s GLN 81 N -5.41 2.79 0.74 -1.24 -1.52 -1.26 -4.84 119.66 108.92 1pyo s GLN 81 Ca 0.15 -0.81 -0.10 0.00 -1.95 0.00 0.00 55.36 52.65 1pyo s GLN 81 Cb -0.08 -2.64 0.05 0.00 -0.22 0.00 0.00 33.01 30.13 1pyo s GLN 81 CO 0.90 0.52 1.10 0.95 -0.25 0.00 0.00 175.29 178.51 1pyo s THR 82 N -1.53 2.71 0.23 -0.19 -4.23 -1.26 -0.72 115.64 110.66 1pyo s THR 82 Ca 0.29 0.13 -0.07 0.00 -1.18 0.00 0.00 61.69 60.86 1pyo s THR 82 Cb -0.11 -3.21 0.19 0.00 1.34 0.00 0.00 72.50 70.71 1pyo s THR 82 CO 0.22 -0.26 1.85 0.00 -0.54 0.00 0.00 174.62 175.88 1pyo h ALA 83 N -0.77 1.07 -0.48 3.99 0.00 -1.85 0.86 119.26 122.07 1pyo h ALA 83 Ca -0.45 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 1pyo h ALA 83 Cb 1.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1pyo h ALA 83 CO 0.64 0.26 -0.04 0.37 0.00 0.00 0.00 179.25 180.48 1pyo h GLN 84 N 0.93 0.88 -0.80 0.00 4.15 -1.93 -1.36 115.11 116.99 1pyo h GLN 84 Ca 0.34 -0.30 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 1pyo h GLN 84 Cb 0.10 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.69 1pyo h GLN 84 CO -0.15 0.94 0.39 0.93 -1.93 0.00 0.00 178.83 179.01 1pyo h GLU 85 N 0.74 1.15 -0.23 1.69 5.08 -1.79 -0.90 114.58 120.30 1pyo h GLU 85 Ca 0.13 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1pyo h GLU 85 Cb 0.56 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1pyo h GLU 85 CO 0.03 0.88 0.14 0.52 -1.00 0.00 0.00 179.01 179.58 1pyo h MET 86 N 1.13 0.31 -0.02 2.33 2.86 -0.49 0.13 114.93 121.17 1pyo h MET 86 Ca 0.27 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.89 1pyo h MET 86 Cb 0.11 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1pyo h MET 86 CO -0.04 0.25 -0.02 0.37 1.06 0.00 0.00 176.91 178.53 1pyo h GLN 87 N 0.29 -0.02 -0.58 1.72 -0.00 -1.02 0.18 115.11 115.69 1pyo h GLN 87 Ca 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.70 1pyo h GLN 87 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.47 1pyo h GLN 87 CO -0.02 -0.01 0.21 0.93 0.00 0.00 0.00 178.83 179.94 1pyo h GLU 88 N -0.02 0.88 0.00 1.69 5.08 -1.01 -1.50 114.58 119.69 1pyo h GLU 88 Ca 0.02 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.06 1pyo h GLU 88 Cb 0.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1pyo h GLU 88 CO -0.04 0.77 -0.71 0.87 -1.00 0.00 0.00 179.01 178.90 1pyo h LYS 89 N 0.80 0.00 -0.40 2.33 1.57 -0.87 -1.07 116.57 118.94 1pyo h LYS 89 Ca 0.19 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.82 1pyo h LYS 89 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1pyo h LYS 89 CO -0.01 0.71 -0.34 -0.07 -0.57 0.00 0.00 179.45 179.18 1pyo h LEU 90 N 0.00 0.96 -0.54 2.94 3.38 -0.46 -0.88 115.31 120.70 1pyo h LEU 90 Ca -0.01 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 1pyo h LEU 90 Cb 1.38 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1pyo h LEU 90 CO 0.09 1.20 0.12 -0.61 0.09 0.00 0.00 178.44 179.33 1pyo h GLN 91 N 0.76 0.88 -0.84 1.13 4.15 -1.13 0.12 115.11 120.17 1pyo h GLN 91 Ca 0.07 -0.22 0.01 0.00 0.77 0.00 0.00 58.65 59.28 1pyo h GLN 91 Cb 0.91 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.45 1pyo h GLN 91 CO 0.08 0.84 0.56 -0.91 -1.93 0.00 0.00 178.83 177.47 1pyo h ASN 92 N 0.77 0.96 -0.37 -0.69 -0.26 -1.00 -1.52 115.58 113.47 1pyo h ASN 92 Ca 0.17 -0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.83 1pyo h ASN 92 Cb 0.37 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 1pyo h ASN 92 CO 0.01 0.69 0.01 0.15 -1.06 0.00 0.00 177.43 177.22 1pyo h PHE 93 N 1.13 0.70 0.00 1.19 3.57 -0.76 -2.62 116.94 120.15 1pyo h PHE 93 Ca 0.31 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 1pyo h PHE 93 Cb -0.11 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.44 1pyo h PHE 93 CO -0.01 0.73 -0.13 0.00 -2.23 0.00 0.00 178.31 176.67 1pyo h ALA 94 N 0.87 1.44 -0.08 2.41 0.00 -0.57 -2.61 119.26 120.72 1pyo h ALA 94 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pyo h ALA 94 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1pyo h ALA 94 CO 0.02 0.17 0.00 1.04 0.00 0.00 0.00 179.25 180.47 1pyo n GLN 95 N -3.89 1.78 -1.76 0.00 1.13 -0.61 -4.92 117.38 109.11 1pyo n GLN 95 Ca -0.02 -1.14 -0.40 0.00 -1.94 0.00 0.00 57.00 53.49 1pyo n GLN 95 Cb 0.23 -1.45 0.02 0.00 0.11 0.00 0.00 30.24 29.14 1pyo n GLN 95 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1pyo n LEU 96 N 0.38 5.09 0.27 1.08 4.77 -0.99 -4.90 117.00 122.69 1pyo n LEU 96 Ca 0.18 1.13 0.16 0.00 -0.03 0.00 0.00 56.01 57.44 1pyo n LEU 96 Cb 0.38 -1.60 0.73 0.00 -2.33 0.00 0.00 43.42 40.60 1pyo n LEU 96 CO 0.15 -0.13 0.98 -0.65 -1.33 0.00 0.00 177.39 176.41 1pyo h PRO 97 N 2.35 0.00 0.00 3.23 0.11 -1.92 -3.14 132.00 132.63 1pyo h PRO 97 Ca -0.51 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1pyo h PRO 97 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1pyo h PRO 97 CO 0.61 0.07 -0.05 0.00 -0.21 0.00 0.00 178.00 178.42 1pyo h ALA 98 N 1.93 1.62 -0.18 -0.75 0.00 -1.97 -2.69 119.26 117.22 1pyo h ALA 98 Ca -0.00 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1pyo h ALA 98 Cb 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1pyo h ALA 98 CO 0.01 0.06 0.16 0.45 0.00 0.00 0.00 179.25 179.93 1pyo h HIS 99 N 0.00 0.00 -0.63 0.00 3.86 -1.90 -0.91 115.15 115.57 1pyo h HIS 99 Ca -0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1pyo h HIS 99 Cb 0.11 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 1pyo h HIS 99 CO 0.00 0.00 0.19 0.00 0.86 0.00 0.00 177.93 178.98 1pyo h ARG 100 N 0.00 0.96 -0.27 2.45 3.08 -1.66 -3.12 114.38 115.83 1pyo h ARG 100 Ca 0.09 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1pyo h ARG 100 Cb 0.41 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1pyo h ARG 100 CO -0.00 0.83 0.00 1.33 -1.07 0.00 0.00 179.97 181.06 1pyo n VAL 101 N -4.27 0.34 -3.44 2.04 0.24 -0.37 -4.91 118.33 107.96 1pyo n VAL 101 Ca 0.05 -0.56 -0.21 0.00 -2.04 0.00 0.00 64.34 61.58 1pyo n VAL 101 Cb 0.22 0.78 -0.01 0.00 -1.47 0.00 0.00 33.84 33.36 1pyo n VAL 101 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1pyo s THR 102 N -1.66 2.52 -0.86 3.34 -4.23 -1.06 -4.82 115.64 108.87 1pyo s THR 102 Ca 0.35 -1.26 0.10 0.00 -1.18 0.00 0.00 61.69 59.71 1pyo s THR 102 Cb 0.20 -2.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.24 1pyo s THR 102 CO 0.29 0.00 0.60 0.47 -0.54 0.00 0.00 174.62 175.45 1pyo n ASP 103 N -1.72 1.08 -2.97 3.99 8.00 -1.15 -4.96 116.55 118.82 1pyo n ASP 103 Ca 0.05 -1.04 -0.09 0.00 0.71 0.00 0.00 54.79 54.43 1pyo n ASP 103 Cb 0.62 0.59 0.02 0.00 -0.02 0.00 0.00 41.12 42.33 1pyo n ASP 103 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1pyo s SER 104 N -1.53 -0.01 -0.04 -2.24 1.04 -0.96 -4.04 113.70 105.93 1pyo s SER 104 Ca 0.08 -1.12 -0.15 0.00 0.48 0.00 0.00 55.95 55.23 1pyo s SER 104 Cb 0.08 0.85 0.03 0.00 0.10 0.00 0.00 66.02 67.08 1pyo s SER 104 CO 0.30 -1.68 0.33 0.00 0.98 0.00 0.00 173.24 173.17 1pyo s ILE 106 N -1.03 0.90 -0.07 0.00 1.01 -0.84 -0.84 121.20 120.32 1pyo s ILE 106 Ca -0.11 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 1pyo s ILE 106 Cb -0.05 -0.80 0.03 0.00 0.01 0.00 0.00 42.46 41.65 1pyo s ILE 106 CO 0.04 0.28 -0.01 -0.69 0.00 0.00 0.00 174.94 174.55 1pyo s VAL 107 N 0.27 0.47 -0.12 2.92 1.01 -0.18 -0.61 120.40 124.16 1pyo s VAL 107 Ca -0.05 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.00 1pyo s VAL 107 Cb -0.10 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.69 1pyo s VAL 107 CO 0.01 0.26 -0.21 0.00 0.00 0.00 0.00 175.10 175.17 1pyo s ALA 108 N 1.76 2.30 -0.14 5.51 0.00 0.35 -1.14 121.76 130.39 1pyo s ALA 108 Ca 0.02 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1pyo s ALA 108 Cb -0.13 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 22.03 1pyo s ALA 108 CO -0.05 0.16 -0.20 -0.51 0.00 0.00 0.00 175.76 175.16 1pyo s LEU 109 N 0.53 2.20 -0.10 0.00 1.43 -0.42 -1.25 118.68 121.07 1pyo s LEU 109 Ca -0.13 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.39 1pyo s LEU 109 Cb -0.17 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.60 1pyo s LEU 109 CO 0.05 0.08 -0.05 -0.76 0.23 0.00 0.00 176.35 175.90 1pyo s LEU 110 N 0.81 0.97 0.00 1.79 1.02 -0.00 -0.81 118.68 122.46 1pyo s LEU 110 Ca -0.07 -0.22 -0.00 0.00 0.02 0.00 0.00 54.13 53.86 1pyo s LEU 110 Cb -0.15 -0.69 0.00 0.00 0.02 0.00 0.00 46.19 45.37 1pyo s LEU 110 CO -0.01 -0.14 0.02 -0.24 0.02 0.00 0.00 176.35 175.99 1pyo n SER 111 N 5.00 -0.01 -4.91 2.29 2.88 -0.44 -0.72 113.62 117.70 1pyo n SER 111 Ca -0.11 -1.00 -0.27 0.00 -1.33 0.00 0.00 58.87 56.16 1pyo n SER 111 Cb 0.50 0.02 0.02 0.00 -0.75 0.00 0.00 64.21 64.00 1pyo n SER 111 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1pyo s HIS 112 N -2.97 3.37 0.17 0.66 3.76 -1.26 -3.95 115.29 115.07 1pyo s HIS 112 Ca 0.00 0.74 -0.18 0.00 -0.15 0.00 0.00 55.06 55.47 1pyo s HIS 112 Cb -0.00 -2.60 0.06 0.00 1.11 0.00 0.00 32.58 31.15 1pyo s HIS 112 CO -0.00 -0.64 0.85 0.41 -0.85 0.00 0.00 174.74 174.51 1pyo n GLY 113 N -2.49 0.74 3.35 -2.22 0.00 -1.25 -0.83 105.19 102.48 1pyo n GLY 113 Ca 0.03 -1.12 -0.19 0.00 0.00 0.00 0.00 46.02 44.74 1pyo n GLY 113 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pyo s VAL 114 N -2.15 0.39 0.12 1.61 -7.23 -0.32 -4.33 120.40 108.50 1pyo s VAL 114 Ca 0.19 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.04 1pyo s VAL 114 Cb -0.02 -2.52 -0.11 0.00 0.56 0.00 0.00 36.38 34.29 1pyo s VAL 114 CO 0.05 0.00 1.83 1.21 -0.31 0.00 0.00 175.10 177.88 1pyo n GLU 115 N -0.60 2.77 -0.96 4.82 4.07 -1.17 -1.80 120.64 127.76 1pyo n GLU 115 Ca 0.00 1.01 0.00 0.00 -0.06 0.00 0.00 57.16 58.11 1pyo n GLU 115 Cb 0.65 -2.90 0.00 0.00 -0.06 0.00 0.00 31.44 29.13 1pyo n GLU 115 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1pyo n GLY 116 N 4.21 0.66 3.35 8.31 0.00 -1.26 -5.00 105.19 115.46 1pyo n GLY 116 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1pyo n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyo s ALA 117 N -2.77 -1.16 0.12 4.61 0.00 -0.75 -0.30 121.76 121.52 1pyo s ALA 117 Ca 0.00 0.42 0.10 0.00 0.00 0.00 0.00 51.96 52.48 1pyo s ALA 117 Cb 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 1pyo s ALA 117 CO 0.00 -0.49 -0.24 0.96 0.00 0.00 0.00 175.76 175.99 1pyo s ILE 118 N -2.55 1.97 0.26 0.00 -4.36 -0.47 -1.17 121.20 114.87 1pyo s ILE 118 Ca -0.05 -1.66 -0.18 0.00 -0.26 0.00 0.00 60.65 58.50 1pyo s ILE 118 Cb -0.01 -1.77 -0.08 0.00 1.25 0.00 0.00 42.46 41.85 1pyo s ILE 118 CO -0.03 -0.00 0.73 -0.31 0.24 0.00 0.00 174.94 175.57 1pyo s TYR 119 N -1.16 3.56 0.51 1.37 2.02 -0.01 -1.01 117.35 122.62 1pyo s TYR 119 Ca 0.10 1.33 0.04 0.00 -0.37 0.00 0.00 57.07 58.18 1pyo s TYR 119 Cb -0.10 -2.59 0.03 0.00 -0.40 0.00 0.00 41.96 38.90 1pyo s TYR 119 CO 0.05 0.26 0.71 0.20 -1.57 0.00 0.00 175.55 175.19 1pyo s GLY 120 N -1.86 1.87 0.04 0.71 0.00 0.11 -4.59 107.32 103.60 1pyo s GLY 120 Ca 0.47 -1.50 0.12 0.00 0.00 0.00 0.00 44.72 43.81 1pyo s GLY 120 CO 0.20 -1.24 1.39 3.33 0.00 0.00 0.00 173.10 176.78 1pyo n VAL 121 N -2.17 1.21 1.39 1.40 0.24 0.10 -1.48 118.33 119.02 1pyo n VAL 121 Ca 0.09 0.32 0.12 0.00 -2.04 0.00 0.00 64.34 62.83 1pyo n VAL 121 Cb 0.60 -1.16 0.47 0.00 -1.47 0.00 0.00 33.84 32.27 1pyo n VAL 121 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1pyo n ASP 122 N -1.61 1.48 0.00 -1.34 5.75 -1.26 -4.03 116.55 115.55 1pyo n ASP 122 Ca 0.02 -1.58 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 1pyo n ASP 122 Cb 0.13 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1pyo n ASP 122 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pyo n GLY 123 N 1.13 0.52 3.90 6.12 0.00 -0.55 -4.53 105.19 111.78 1pyo n GLY 123 Ca 0.18 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1pyo n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pyo s LYS 124 N -0.18 3.22 0.03 1.61 1.02 -1.26 -4.82 119.74 119.35 1pyo s LYS 124 Ca 0.00 -0.80 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 1pyo s LYS 124 Cb 0.00 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 1pyo s LYS 124 CO 0.00 0.46 0.15 -0.51 -0.92 0.00 0.00 175.35 174.54 1pyo s LEU 125 N -3.54 4.18 -0.17 3.17 1.43 -1.26 -0.71 118.68 121.77 1pyo s LEU 125 Ca 0.33 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 1pyo s LEU 125 Cb -0.10 -2.62 0.02 0.00 0.03 0.00 0.00 46.19 43.53 1pyo s LEU 125 CO 0.27 0.22 -0.16 -0.22 0.23 0.00 0.00 176.35 176.69 1pyo s LEU 126 N -2.14 1.99 0.14 1.79 2.96 -0.18 -4.95 118.68 118.30 1pyo s LEU 126 Ca 0.29 -0.62 -0.31 0.00 -0.22 0.00 0.00 54.13 53.27 1pyo s LEU 126 Cb -0.13 -1.33 -0.08 0.00 0.50 0.00 0.00 46.19 45.16 1pyo s LEU 126 CO 0.21 -0.04 1.35 -1.10 -1.32 0.00 0.00 176.35 175.45 1pyo s GLN 127 N 1.38 4.35 0.45 1.98 -1.52 -1.26 -1.37 119.66 123.67 1pyo s GLN 127 Ca 0.04 2.05 0.12 0.00 -1.95 0.00 0.00 55.36 55.62 1pyo s GLN 127 Cb -0.13 -3.24 1.01 0.00 -0.22 0.00 0.00 33.01 30.42 1pyo s GLN 127 CO -0.11 -0.37 2.04 -0.07 -0.25 0.00 0.00 175.29 176.52 1pyo h LEU 128 N 6.38 0.15 -1.46 2.90 3.38 -1.01 -1.58 115.31 124.07 1pyo h LEU 128 Ca -0.43 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 1pyo h LEU 128 Cb 1.21 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1pyo h LEU 128 CO 0.83 0.21 0.17 -0.61 0.09 0.00 0.00 178.44 179.13 1pyo h GLN 129 N 0.16 0.53 -0.26 1.13 5.75 -1.92 0.11 115.11 120.61 1pyo h GLN 129 Ca 0.04 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.37 1pyo h GLN 129 Cb 0.16 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1pyo h GLN 129 CO 0.00 0.43 -0.29 1.49 -2.65 0.00 0.00 178.83 177.81 1pyo h GLU 130 N 0.54 0.54 0.07 1.69 4.57 -1.67 -1.52 114.58 118.79 1pyo h GLU 130 Ca 0.13 -0.22 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1pyo h GLU 130 Cb 0.08 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1pyo h GLU 130 CO -0.02 0.77 -0.03 0.28 -1.18 0.00 0.00 179.01 178.84 1pyo h VAL 131 N 0.47 1.10 -0.40 0.32 2.07 -0.84 -2.91 116.25 116.05 1pyo h VAL 131 Ca 0.06 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1pyo h VAL 131 Cb 0.75 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1pyo h VAL 131 CO 0.06 0.15 0.13 -0.26 0.02 0.00 0.00 177.57 177.66 1pyo h PHE 132 N -0.35 0.58 -0.60 1.57 0.04 -0.96 -2.21 116.94 115.02 1pyo h PHE 132 Ca -0.01 -0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.74 1pyo h PHE 132 Cb 0.31 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.25 1pyo h PHE 132 CO 0.01 0.48 0.39 0.37 -0.60 0.00 0.00 178.31 178.97 1pyo h GLN 133 N 0.57 0.76 0.00 1.51 4.15 -1.18 -1.64 115.11 119.29 1pyo h GLN 133 Ca 0.14 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 1pyo h GLN 133 Cb 0.17 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 1pyo h GLN 133 CO -0.01 0.50 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.30 1pyo h LEU 134 N 0.78 0.00 -2.87 -2.39 3.38 -1.20 -2.17 115.31 110.84 1pyo h LEU 134 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1pyo h LEU 134 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1pyo h LEU 134 CO -0.05 0.02 0.00 0.49 0.09 0.00 0.00 178.44 178.99 1pyo n PHE 135 N -3.51 0.58 -1.76 1.13 3.01 -0.63 -4.05 117.46 112.22 1pyo n PHE 135 Ca -0.03 -0.51 -0.30 0.00 1.01 0.00 0.00 57.45 57.63 1pyo n PHE 135 Cb 0.12 -0.03 0.19 0.00 -0.01 0.00 0.00 39.48 39.74 1pyo n PHE 135 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1pyo s ASP 136 N -1.02 2.86 0.58 4.37 1.47 -0.82 -4.64 116.67 119.48 1pyo s ASP 136 Ca 0.28 0.40 0.36 0.00 1.18 0.00 0.00 52.55 54.77 1pyo s ASP 136 Cb 0.15 -0.54 1.78 0.00 -0.34 0.00 0.00 42.92 43.97 1pyo s ASP 136 CO 0.19 -2.90 2.15 0.78 0.68 0.00 0.00 175.17 176.07 1pyo h ASN 137 N -1.75 0.00 0.07 2.11 2.35 -1.89 -0.14 115.58 116.33 1pyo h ASN 137 Ca -0.45 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.06 1pyo h ASN 137 Cb 1.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 1pyo h ASN 137 CO 0.41 0.04 -1.25 0.00 -1.65 0.00 0.00 177.43 174.97 1pyo h ALA 138 N 1.96 0.20 0.00 -0.83 0.00 -1.92 -3.35 119.26 115.32 1pyo h ALA 138 Ca -0.00 -1.07 -0.09 0.00 0.00 0.00 0.00 54.91 53.75 1pyo h ALA 138 Cb 0.27 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1pyo h ALA 138 CO 0.00 0.73 -0.79 -0.91 0.00 0.00 0.00 179.25 178.29 1pyo h ASN 139 N -0.54 0.00 -2.11 0.00 2.35 -1.78 -3.39 115.58 110.12 1pyo h ASN 139 Ca -0.29 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 54.88 1pyo h ASN 139 Cb 1.58 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.54 1pyo h ASN 139 CO -0.02 0.36 -0.82 0.00 -1.65 0.00 0.00 177.43 175.30 1pyo h PRO 141 N 4.02 0.00 0.00 0.00 0.13 -1.75 -1.63 132.00 132.76 1pyo h PRO 141 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1pyo h PRO 141 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1pyo h PRO 141 CO 0.68 0.00 0.00 0.77 -0.23 0.00 0.00 178.00 179.22 1pyo h SER 142 N 0.00 0.00 -0.50 1.44 0.02 -1.92 -1.80 113.55 110.78 1pyo h SER 142 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1pyo h SER 142 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1pyo h SER 142 CO -0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 1pyo n LEU 143 N -3.04 3.72 -4.67 5.07 4.77 -0.62 -4.27 117.00 117.97 1pyo n LEU 143 Ca -0.01 -2.22 -0.45 0.00 -0.03 0.00 0.00 56.01 53.31 1pyo n LEU 143 Cb 0.22 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1pyo n LEU 143 CO 0.24 0.81 1.03 0.00 -1.33 0.00 0.00 177.39 178.14 1pyo n GLN 144 N 0.82 2.07 -0.87 3.23 6.02 -0.68 -1.27 117.38 126.69 1pyo n GLN 144 Ca 0.19 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.92 1pyo n GLN 144 Cb 0.64 -2.40 0.00 0.00 1.02 0.00 0.00 30.24 29.49 1pyo n GLN 144 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1pyo n ASN 145 N 2.21 -2.66 -4.75 1.08 3.02 -1.26 -4.99 115.26 107.92 1pyo n ASN 145 Ca 0.12 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.34 1pyo n ASN 145 Cb 0.32 -1.89 -0.07 0.00 -0.61 0.00 0.00 39.78 37.52 1pyo n ASN 145 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1pyo s LYS 146 N -0.91 2.95 0.14 3.52 1.02 -0.40 -4.98 119.74 121.09 1pyo s LYS 146 Ca 0.00 -0.55 -0.31 0.00 0.02 0.00 0.00 55.97 55.13 1pyo s LYS 146 Cb 0.00 -2.78 -0.08 0.00 -0.52 0.00 0.00 37.83 34.45 1pyo s LYS 146 CO 0.00 0.63 1.35 -1.25 -0.92 0.00 0.00 175.35 175.15 1pyo s PRO 147 N -1.76 4.35 -0.20 -1.68 0.04 -1.26 -4.92 135.00 129.57 1pyo s PRO 147 Ca 0.23 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.33 1pyo s PRO 147 Cb -0.12 -3.23 0.04 0.00 0.04 0.00 0.00 34.50 31.22 1pyo s PRO 147 CO 0.14 -0.35 -0.15 0.15 0.04 0.00 0.00 177.00 176.83 1pyo s LYS 148 N 0.63 2.50 -0.13 4.56 1.02 -1.26 -2.04 119.74 125.00 1pyo s LYS 148 Ca 0.61 -0.93 -0.06 0.00 0.02 0.00 0.00 55.97 55.61 1pyo s LYS 148 Cb -0.36 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 1pyo s LYS 148 CO 0.33 -0.35 0.09 -1.64 -0.92 0.00 0.00 175.35 172.86 1pyo s MET 149 N 1.29 3.54 -0.03 1.68 -1.94 -0.02 -4.99 119.30 118.84 1pyo s MET 149 Ca 0.00 -0.24 0.04 0.00 -1.71 0.00 0.00 55.69 53.78 1pyo s MET 149 Cb -0.15 -3.14 -0.00 0.00 2.01 0.00 0.00 34.83 33.54 1pyo s MET 149 CO -0.10 0.60 -0.13 -0.06 -0.01 0.00 0.00 175.02 175.32 1pyo s PHE 150 N -0.55 1.30 -0.10 -0.03 0.40 -1.26 -1.01 117.98 116.73 1pyo s PHE 150 Ca 0.11 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 1pyo s PHE 150 Cb -0.12 -0.87 0.02 0.00 0.51 0.00 0.00 43.02 42.56 1pyo s PHE 150 CO 0.02 -0.09 -0.09 -0.06 0.70 0.00 0.00 175.22 175.70 1pyo s PHE 151 N -0.05 1.49 -0.27 0.36 0.08 -0.29 -4.98 117.98 114.31 1pyo s PHE 151 Ca -0.00 -0.70 0.02 0.00 0.12 0.00 0.00 56.93 56.38 1pyo s PHE 151 Cb -0.08 -1.19 0.06 0.00 -0.57 0.00 0.00 43.02 41.24 1pyo s PHE 151 CO 0.01 -0.45 -0.07 0.42 -0.10 0.00 0.00 175.22 175.02 1pyo s ILE 152 N 1.41 2.35 -0.58 0.64 -1.09 -1.26 -1.31 121.20 121.36 1pyo s ILE 152 Ca -0.00 -1.64 -0.12 0.00 -2.23 0.00 0.00 60.65 56.65 1pyo s ILE 152 Cb -0.13 -2.40 0.15 0.00 -1.58 0.00 0.00 42.46 38.49 1pyo s ILE 152 CO -0.05 -0.09 0.49 -1.58 -1.23 0.00 0.00 174.94 172.48 1pyo s GLN 153 N 1.12 2.89 -0.18 2.79 2.00 0.01 -4.99 119.66 123.30 1pyo s GLN 153 Ca -0.07 -1.93 -0.29 0.00 -2.00 0.00 0.00 55.36 51.07 1pyo s GLN 153 Cb -0.20 -4.15 0.13 0.00 0.80 0.00 0.00 33.01 29.58 1pyo s GLN 153 CO -0.04 -1.26 1.00 0.00 -0.50 0.00 0.00 175.29 174.48 1pyo s ALA 154 N 1.13 -1.94 0.68 1.58 0.00 -1.25 -1.33 121.76 120.63 1pyo s ALA 154 Ca 0.08 1.63 -0.16 0.00 0.00 0.00 0.00 51.96 53.51 1pyo s ALA 154 Cb -0.24 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.06 1pyo s ALA 154 CO -0.01 -0.30 1.16 0.00 0.00 0.00 0.00 175.76 176.61 1pyo n ARG 156 N -2.42 1.23 0.00 0.00 1.74 -1.26 -2.51 116.66 113.43 1pyo n ARG 156 Ca 0.12 -2.94 0.00 0.00 -0.77 0.00 0.00 57.85 54.26 1pyo n ARG 156 Cb 0.51 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 1pyo n ARG 156 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pyo n GLY 157 N -0.82 0.43 0.84 -0.13 0.00 -1.26 -3.06 105.19 101.18 1pyo n GLY 157 Ca 0.16 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.63 1pyo n GLY 157 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pyo n ASP 158 N 0.00 3.14 -4.70 1.61 5.68 -1.26 -4.95 116.55 116.07 1pyo n ASP 158 Ca 0.00 -1.95 -0.42 0.00 -0.50 0.00 0.00 54.79 51.91 1pyo n ASP 158 Cb 0.00 -0.28 -0.03 0.00 -1.14 0.00 0.00 41.12 39.67 1pyo n ASP 158 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1pyo s GLU 159 N -1.03 4.48 -0.23 0.11 0.41 -1.26 -5.02 118.70 116.16 1pyo s GLU 159 Ca 0.30 1.40 -0.15 0.00 -0.41 0.00 0.00 54.97 56.11 1pyo s GLU 159 Cb 0.16 -3.51 -0.04 0.00 -1.78 0.00 0.00 34.13 28.96 1pyo s GLU 159 CO 0.21 -0.20 0.35 0.99 -0.49 0.00 0.00 175.26 176.12 1pyo s THR 160 N 1.58 5.22 -0.17 3.63 2.01 -1.26 -5.02 115.64 121.63 1pyo s THR 160 Ca 0.50 0.58 -0.29 0.00 0.31 0.00 0.00 61.69 62.78 1pyo s THR 160 Cb -0.19 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1pyo s THR 160 CO 0.22 0.24 1.53 -0.62 -0.69 0.00 0.00 174.62 175.31 1pyo s ASP 161 N 1.20 6.59 0.19 3.53 -1.08 -1.26 -4.86 116.67 120.99 1pyo s ASP 161 Ca 0.16 1.76 0.26 0.00 -0.52 0.00 0.00 52.55 54.21 1pyo s ASP 161 Cb -0.15 -2.53 0.88 0.00 -1.46 0.00 0.00 42.92 39.65 1pyo s ASP 161 CO 0.08 -1.06 1.78 0.54 0.52 0.00 0.00 175.17 177.03 1pyo n ARG 162 N 7.28 0.22 0.00 4.34 1.74 -1.26 -5.03 116.66 123.96 1pyo n ARG 162 Ca 0.17 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 1pyo n ARG 162 Cb 0.45 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1pyo n ARG 162 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pyo n GLY 163 N 1.11 -1.83 3.13 -0.13 0.00 -1.26 -5.04 105.19 101.16 1pyo n GLY 163 Ca 0.05 -1.50 -0.18 0.00 0.00 0.00 0.00 46.02 44.39 1pyo n GLY 163 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pyo s VAL 164 N -3.12 0.97 0.25 1.61 -7.23 -1.26 -5.12 120.40 106.50 1pyo s VAL 164 Ca 0.00 -1.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.83 1pyo s VAL 164 Cb 0.00 -0.92 -0.09 0.00 0.56 0.00 0.00 36.38 35.93 1pyo s VAL 164 CO 0.00 -0.11 1.21 -1.81 -0.31 0.00 0.00 175.10 174.07 1pyo s ASP 165 N -1.31 7.04 -0.03 4.85 1.01 -1.26 -4.98 116.67 121.99 1pyo s ASP 165 Ca -0.01 2.37 -0.30 0.00 0.71 0.00 0.00 52.55 55.32 1pyo s ASP 165 Cb -0.08 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.19 1pyo s ASP 165 CO 0.01 -0.36 1.03 -1.58 0.21 0.00 0.00 175.17 174.49 1pyo s GLN 166 N -0.94 4.49 0.00 8.23 0.74 -1.26 -5.35 119.66 125.57 1pyo s GLN 166 Ca 0.50 1.48 0.29 0.00 0.05 0.00 0.00 55.36 57.68 1pyo s GLN 166 Cb -0.35 -3.48 1.26 0.00 1.10 0.00 0.00 33.01 31.55 1pyo s GLN 166 CO 0.42 -0.18 1.86 1.04 -0.55 0.00 0.00 175.29 177.88