#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyo n LYS 29 N 0.00 -3.64 -3.66 -0.14 5.02 -1.26 -5.06 118.16 109.42 2pyo n LYS 29 Ca 0.00 2.78 -0.25 0.00 -2.02 0.00 0.00 58.31 58.81 2pyo n LYS 29 Cb 0.00 -3.20 -0.17 0.00 -0.02 0.00 0.00 35.03 31.64 2pyo n LYS 29 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2pyo s ARG 30 N -1.19 0.25 -0.33 1.97 3.52 -1.26 -5.10 118.95 116.82 2pyo s ARG 30 Ca 0.00 -0.10 0.04 0.00 -0.13 0.00 0.00 55.73 55.53 2pyo s ARG 30 Cb 0.00 -1.67 0.09 0.00 -1.56 0.00 0.00 34.95 31.81 2pyo s ARG 30 CO 0.00 -0.59 0.02 0.21 -0.81 0.00 0.00 175.30 174.13 2pyo s LYS 31 N 2.05 1.67 0.40 5.12 2.20 -1.26 -5.10 119.74 124.82 2pyo s LYS 31 Ca 0.02 -1.76 -0.22 0.00 -0.36 0.00 0.00 55.97 53.64 2pyo s LYS 31 Cb -0.15 -3.16 -0.11 0.00 -1.51 0.00 0.00 37.83 32.90 2pyo s LYS 31 CO -0.08 -0.86 0.95 -1.83 -0.36 0.00 0.00 175.35 173.17 2pyo s GLU 32 N 0.95 4.32 0.25 4.03 -1.05 -1.26 -5.07 118.70 120.88 2pyo s GLU 32 Ca 0.07 1.19 0.03 0.00 -0.15 0.00 0.00 54.97 56.11 2pyo s GLU 32 Cb -0.19 -2.36 -0.01 0.00 -0.44 0.00 0.00 34.13 31.13 2pyo s GLU 32 CO -0.07 0.05 0.25 -1.13 0.95 0.00 0.00 175.26 175.31 2pyo n SER 33 N -0.30 -0.67 -1.20 0.83 3.41 -1.26 -5.05 113.62 109.38 2pyo n SER 33 Ca 0.06 -2.52 0.12 0.00 -0.26 0.00 0.00 58.87 56.26 2pyo n SER 33 Cb 0.53 1.42 0.24 0.00 -0.26 0.00 0.00 64.21 66.13 2pyo n SER 33 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2pyo n TYR 34 N -0.45 0.59 -0.27 7.33 4.02 -1.26 -4.64 117.16 122.48 2pyo n TYR 34 Ca 0.04 -0.29 0.08 0.00 -0.01 0.00 0.00 57.90 57.72 2pyo n TYR 34 Cb 0.43 0.00 0.22 0.00 -0.02 0.00 0.00 39.34 39.98 2pyo n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2pyo h ALA 35 N 4.50 1.10 -0.14 -0.72 0.00 -1.97 0.59 119.26 122.62 2pyo h ALA 35 Ca 0.00 0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 2pyo h ALA 35 Cb 1.00 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2pyo h ALA 35 CO 0.00 -0.35 -0.34 -0.84 0.00 0.00 0.00 179.25 177.72 2pyo h ILE 36 N 0.29 1.28 0.03 0.00 3.07 -2.00 -0.86 117.51 119.32 2pyo h ILE 36 Ca 0.47 -1.35 -0.24 0.00 1.55 0.00 0.00 64.86 65.29 2pyo h ILE 36 Cb 0.84 1.55 0.00 0.00 -0.27 0.00 0.00 36.82 38.94 2pyo h ILE 36 CO -0.54 0.41 -1.01 1.88 -1.05 0.00 0.00 178.15 177.84 2pyo h TYR 37 N 0.24 0.61 -0.53 0.16 -1.99 -1.45 -1.59 116.97 112.42 2pyo h TYR 37 Ca 0.03 -0.35 -0.08 0.00 2.00 0.00 0.00 58.73 60.33 2pyo h TYR 37 Cb 0.71 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.36 2pyo h TYR 37 CO 0.01 1.19 0.01 0.82 -0.00 0.00 0.00 178.16 180.19 2pyo h ILE 38 N 0.21 1.25 -0.07 -2.88 2.04 -0.78 -1.81 117.51 115.46 2pyo h ILE 38 Ca -0.09 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 64.71 2pyo h ILE 38 Cb 1.66 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 2pyo h ILE 38 CO 0.17 0.38 0.03 0.22 0.00 0.00 0.00 178.15 178.95 2pyo h TYR 39 N 0.83 0.11 -0.48 1.37 3.20 -1.04 0.50 116.97 121.46 2pyo h TYR 39 Ca 0.16 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.11 2pyo h TYR 39 Cb 0.48 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.64 2pyo h TYR 39 CO 0.03 0.23 0.02 0.87 -1.64 0.00 0.00 178.16 177.66 2pyo h LYS 40 N -0.03 0.13 -0.82 1.82 1.57 -0.96 -0.68 116.57 117.60 2pyo h LYS 40 Ca 0.02 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2pyo h LYS 40 Cb 0.16 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 2pyo h LYS 40 CO -0.00 0.09 0.37 0.28 -0.57 0.00 0.00 179.45 179.61 2pyo h VAL 41 N 0.13 1.26 -0.69 0.50 2.07 -1.02 -1.81 116.25 116.69 2pyo h VAL 41 Ca 0.24 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2pyo h VAL 41 Cb 0.36 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2pyo h VAL 41 CO -0.39 0.32 0.44 0.25 0.02 0.00 0.00 177.57 178.22 2pyo h LEU 42 N 1.18 0.81 -1.49 2.57 5.85 0.15 -1.72 115.31 122.66 2pyo h LEU 42 Ca 0.28 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 2pyo h LEU 42 Cb 0.16 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2pyo h LEU 42 CO -0.03 0.61 -0.26 0.11 -0.34 0.00 0.00 178.44 178.53 2pyo h LYS 43 N 0.94 0.00 -0.37 1.25 1.79 -0.68 0.72 116.57 120.22 2pyo h LYS 43 Ca 0.25 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.59 2pyo h LYS 43 Cb -0.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 2pyo h LYS 43 CO -0.05 0.26 -0.28 1.96 -1.08 0.00 0.00 179.45 180.26 2pyo h GLN 44 N 0.00 0.84 0.00 3.15 4.20 -0.50 -2.55 115.11 120.24 2pyo h GLN 44 Ca -0.00 -0.41 -0.25 0.00 0.06 0.00 0.00 58.65 58.05 2pyo h GLN 44 Cb 0.46 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 2pyo h GLN 44 CO 0.03 1.05 -1.64 1.33 -0.67 0.00 0.00 178.83 178.93 2pyo n VAL 45 N -4.19 1.43 -3.39 -0.54 0.24 -0.77 -4.63 118.33 106.48 2pyo n VAL 45 Ca -0.02 -0.76 -0.26 0.00 -2.04 0.00 0.00 64.34 61.25 2pyo n VAL 45 Cb 0.48 -0.89 -0.10 0.00 -1.47 0.00 0.00 33.84 31.85 2pyo n VAL 45 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2pyo s HIS 46 N -2.72 0.76 0.56 6.34 3.76 0.25 -5.00 115.29 119.24 2pyo s HIS 46 Ca -0.04 -1.90 0.30 0.00 -0.15 0.00 0.00 55.06 53.27 2pyo s HIS 46 Cb 0.08 -0.83 1.46 0.00 1.11 0.00 0.00 32.58 34.40 2pyo s HIS 46 CO 0.82 -0.85 1.87 -1.35 -0.85 0.00 0.00 174.74 174.38 2pyo h PRO 47 N 6.24 0.00 -0.14 8.40 0.11 -1.60 -2.20 132.00 142.81 2pyo h PRO 47 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2pyo h PRO 47 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2pyo h PRO 47 CO 0.30 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.84 2pyo n ASP 48 N -4.02 2.91 -4.65 -2.05 8.00 -1.26 -4.91 116.55 110.57 2pyo n ASP 48 Ca 0.15 -2.74 -0.35 0.00 0.71 0.00 0.00 54.79 52.57 2pyo n ASP 48 Cb 0.88 -0.37 -0.10 0.00 -0.02 0.00 0.00 41.12 41.51 2pyo n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2pyo s THR 49 N -2.29 4.60 0.00 -3.53 2.01 -0.83 -5.11 115.64 110.49 2pyo s THR 49 Ca 0.29 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.18 2pyo s THR 49 Cb 0.23 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.72 2pyo s THR 49 CO 0.06 0.52 0.00 0.61 -0.69 0.00 0.00 174.62 175.12 2pyo n GLY 50 N 3.05 1.91 3.25 4.40 0.00 -1.26 -4.82 105.19 111.72 2pyo n GLY 50 Ca -0.17 -2.12 -0.11 0.00 0.00 0.00 0.00 46.02 43.61 2pyo n GLY 50 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pyo s ILE 51 N 1.05 -0.02 0.65 -0.61 2.07 -1.26 -5.13 121.20 117.95 2pyo s ILE 51 Ca 0.00 0.08 -0.15 0.00 -1.41 0.00 0.00 60.65 59.17 2pyo s ILE 51 Cb 0.00 -0.57 -0.00 0.00 0.13 0.00 0.00 42.46 42.01 2pyo s ILE 51 CO 0.00 0.03 1.11 -0.94 -1.91 0.00 0.00 174.94 173.23 2pyo s SER 52 N 1.17 5.14 0.56 4.50 1.04 -1.26 -4.78 113.70 120.07 2pyo s SER 52 Ca -0.08 2.01 0.30 0.00 0.48 0.00 0.00 55.95 58.65 2pyo s SER 52 Cb -0.08 -2.55 1.68 0.00 0.10 0.00 0.00 66.02 65.17 2pyo s SER 52 CO -0.10 -1.61 2.17 0.77 0.98 0.00 0.00 173.24 175.46 2pyo h SER 53 N 0.09 0.00 -0.16 7.02 4.64 -2.01 0.85 113.55 123.99 2pyo h SER 53 Ca -0.47 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.77 2pyo h SER 53 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2pyo h SER 53 CO 0.54 0.06 -0.21 0.11 -0.87 0.00 0.00 176.83 176.45 2pyo h LYS 54 N 0.00 0.43 -0.78 4.77 1.57 -1.98 0.20 116.57 120.78 2pyo h LYS 54 Ca -0.00 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 2pyo h LYS 54 Cb 0.16 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 2pyo h LYS 54 CO 0.01 0.83 0.40 0.00 -0.57 0.00 0.00 179.45 180.11 2pyo h ALA 55 N 0.59 1.00 -0.31 3.86 0.00 -1.66 0.42 119.26 123.16 2pyo h ALA 55 Ca 0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2pyo h ALA 55 Cb 0.78 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2pyo h ALA 55 CO 0.05 0.54 -0.07 1.98 0.00 0.00 0.00 179.25 181.75 2pyo h MET 56 N 1.09 0.51 -0.42 0.00 1.85 -0.77 -0.84 114.93 116.34 2pyo h MET 56 Ca 0.27 -0.13 -0.06 0.00 -0.61 0.00 0.00 59.70 59.17 2pyo h MET 56 Cb 0.08 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.03 2pyo h MET 56 CO -0.04 0.59 0.05 1.03 -0.40 0.00 0.00 176.91 178.14 2pyo h SER 57 N 0.48 0.69 -0.17 1.39 0.87 0.19 -0.35 113.55 116.65 2pyo h SER 57 Ca 0.09 -0.28 0.04 0.00 -1.23 0.00 0.00 61.79 60.42 2pyo h SER 57 Cb 0.43 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 2pyo h SER 57 CO 0.02 0.80 -0.07 0.40 -0.53 0.00 0.00 176.83 177.44 2pyo h ILE 58 N 0.56 0.75 -1.00 2.23 1.08 0.43 -1.43 117.51 120.14 2pyo h ILE 58 Ca 0.13 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.62 2pyo h ILE 58 Cb 0.41 0.75 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 2pyo h ILE 58 CO 0.01 0.00 0.66 0.24 -0.69 0.00 0.00 178.15 178.37 2pyo h MET 59 N -0.05 1.29 -0.30 2.37 2.86 -0.94 0.65 114.93 120.81 2pyo h MET 59 Ca 0.09 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 2pyo h MET 59 Cb 0.19 -0.29 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 2pyo h MET 59 CO -0.21 0.85 -0.13 -0.97 1.06 0.00 0.00 176.91 177.52 2pyo h ASN 60 N 1.32 0.49 0.04 1.22 -1.24 -0.73 -0.18 115.58 116.50 2pyo h ASN 60 Ca 0.38 -0.13 -0.14 0.00 0.71 0.00 0.00 56.30 57.12 2pyo h ASN 60 Cb -0.10 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.81 2pyo h ASN 60 CO -0.10 0.65 -0.45 0.28 -1.29 0.00 0.00 177.43 176.53 2pyo h SER 61 N 0.47 0.53 -0.28 1.15 0.02 -0.01 -2.32 113.55 113.11 2pyo h SER 61 Ca 0.09 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 2pyo h SER 61 Cb 0.51 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2pyo h SER 61 CO 0.03 0.91 0.07 0.15 -1.14 0.00 0.00 176.83 176.84 2pyo h PHE 62 N 0.40 0.46 -0.56 3.45 3.57 -0.27 -0.14 116.94 123.86 2pyo h PHE 62 Ca 0.03 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 2pyo h PHE 62 Cb 0.94 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 2pyo h PHE 62 CO 0.03 0.52 0.07 0.28 -2.23 0.00 0.00 178.31 176.98 2pyo h VAL 63 N 0.28 1.26 -0.70 1.41 2.07 -1.03 -1.33 116.25 118.21 2pyo h VAL 63 Ca 0.09 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 2pyo h VAL 63 Cb 0.29 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2pyo h VAL 63 CO 0.00 0.36 0.18 0.78 0.02 0.00 0.00 177.57 178.91 2pyo h ASN 64 N 0.83 1.04 -0.30 0.57 2.35 -1.29 -1.16 115.58 117.61 2pyo h ASN 64 Ca 0.17 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2pyo h ASN 64 Cb 0.45 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 2pyo h ASN 64 CO 0.02 0.99 0.17 -0.78 -1.65 0.00 0.00 177.43 176.18 2pyo h ASP 65 N 1.05 0.37 -0.35 5.81 3.58 -0.65 -0.73 116.42 125.49 2pyo h ASP 65 Ca 0.22 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 2pyo h ASP 65 Cb 0.35 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 2pyo h ASP 65 CO -0.00 0.33 0.21 0.40 -2.88 0.00 0.00 179.24 177.30 2pyo h ILE 66 N 0.37 1.11 0.10 2.25 1.08 -1.04 0.23 117.51 121.61 2pyo h ILE 66 Ca 0.11 -0.26 0.02 0.00 -0.39 0.00 0.00 64.86 64.33 2pyo h ILE 66 Cb 0.04 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 2pyo h ILE 66 CO -0.02 0.11 -0.25 0.15 -0.69 0.00 0.00 178.15 177.46 2pyo h PHE 67 N 0.45 -0.66 -0.43 1.37 3.57 -0.88 -1.23 116.94 119.12 2pyo h PHE 67 Ca 0.12 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.70 2pyo h PHE 67 Cb 0.00 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 2pyo h PHE 67 CO -0.04 -0.35 0.14 0.93 -2.23 0.00 0.00 178.31 176.77 2pyo h GLU 68 N -0.44 0.30 -0.66 1.11 5.08 -0.84 0.62 114.58 119.75 2pyo h GLU 68 Ca 0.04 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2pyo h GLU 68 Cb 0.47 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 2pyo h GLU 68 CO -0.16 0.20 0.17 0.00 -1.00 0.00 0.00 179.01 178.23 2pyo h ARG 69 N 0.31 1.05 -0.23 2.33 3.08 -0.72 -1.10 114.38 119.09 2pyo h ARG 69 Ca 0.20 -0.25 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 2pyo h ARG 69 Cb 0.20 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 2pyo h ARG 69 CO -0.22 0.94 -0.34 0.82 -1.07 0.00 0.00 179.97 180.10 2pyo h ILE 70 N 0.98 1.32 -0.43 2.04 2.04 -0.88 -2.23 117.51 120.35 2pyo h ILE 70 Ca 0.21 -1.54 -0.02 0.00 1.00 0.00 0.00 64.86 64.51 2pyo h ILE 70 Cb 0.35 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 2pyo h ILE 70 CO -0.00 0.48 0.19 0.00 0.00 0.00 0.00 178.15 178.82 2pyo h ALA 71 N 0.64 0.55 -0.77 1.87 0.00 -0.79 -0.06 119.26 120.70 2pyo h ALA 71 Ca 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2pyo h ALA 71 Cb 0.92 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2pyo h ALA 71 CO 0.08 0.13 0.44 0.00 0.00 0.00 0.00 179.25 179.90 2pyo h ALA 72 N 1.04 0.98 -0.36 0.00 0.00 -1.20 0.51 119.26 120.23 2pyo h ALA 72 Ca 0.15 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2pyo h ALA 72 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2pyo h ALA 72 CO -0.02 0.46 -0.06 1.49 0.00 0.00 0.00 179.25 181.12 2pyo h GLU 73 N 1.05 0.68 -0.45 0.00 4.57 -1.13 -0.52 114.58 118.78 2pyo h GLU 73 Ca 0.27 -0.25 0.02 0.00 -1.18 0.00 0.00 59.36 58.22 2pyo h GLU 73 Cb -0.01 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 2pyo h GLU 73 CO -0.05 0.82 0.27 0.00 -1.18 0.00 0.00 179.01 178.88 2pyo h ALA 74 N 0.83 0.57 -0.45 2.92 0.00 -0.52 0.37 119.26 122.97 2pyo h ALA 74 Ca 0.09 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.07 2pyo h ALA 74 Cb 0.56 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2pyo h ALA 74 CO 0.03 -0.03 0.04 1.03 0.00 0.00 0.00 179.25 180.32 2pyo h SER 75 N 0.55 -0.10 -0.62 0.00 0.87 0.22 0.12 113.55 114.58 2pyo h SER 75 Ca 0.17 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 2pyo h SER 75 Cb -0.01 0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 2pyo h SER 75 CO -0.07 -0.02 0.33 0.03 -0.53 0.00 0.00 176.83 176.57 2pyo h ARG 76 N 0.16 0.88 -0.76 2.24 3.08 0.04 -1.78 114.38 118.24 2pyo h ARG 76 Ca 0.22 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 60.20 2pyo h ARG 76 Cb 0.31 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 2pyo h ARG 76 CO -0.34 0.69 0.47 -0.07 -1.07 0.00 0.00 179.97 179.65 2pyo h LEU 77 N 0.85 0.76 0.05 3.04 3.38 0.85 0.50 115.31 124.75 2pyo h LEU 77 Ca 0.22 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2pyo h LEU 77 Cb 0.07 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2pyo h LEU 77 CO -0.03 0.51 -0.02 0.00 0.09 0.00 0.00 178.44 178.99 2pyo h ALA 78 N 1.34 -0.07 -0.36 1.53 0.00 -0.43 -2.79 119.26 118.48 2pyo h ALA 78 Ca 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2pyo h ALA 78 Cb 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2pyo h ALA 78 CO -0.13 -0.50 0.23 0.45 0.00 0.00 0.00 179.25 179.29 2pyo h HIS 79 N -0.14 0.46 -0.43 0.00 3.86 -0.86 0.09 115.15 118.13 2pyo h HIS 79 Ca -0.01 0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.33 2pyo h HIS 79 Cb 0.12 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 2pyo h HIS 79 CO -0.05 0.31 0.36 1.88 0.86 0.00 0.00 177.93 181.29 2pyo h TYR 80 N 0.48 0.00 -0.28 2.45 0.99 -0.83 -1.35 116.97 118.43 2pyo h TYR 80 Ca 0.13 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.81 2pyo h TYR 80 Cb -0.03 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 37.67 2pyo h TYR 80 CO -0.05 0.00 -0.00 0.09 -0.00 0.00 0.00 178.16 178.20 2pyo n ASN 81 N -4.09 3.53 -3.68 3.88 3.02 -0.88 -4.96 115.26 112.07 2pyo n ASN 81 Ca 0.07 -3.19 -0.28 0.00 -0.03 0.00 0.00 54.58 51.15 2pyo n ASN 81 Cb 0.55 -0.57 0.01 0.00 -0.61 0.00 0.00 39.78 39.17 2pyo n ASN 81 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2pyo n LYS 82 N -0.69 -4.48 -4.23 3.52 5.02 -0.51 -4.96 118.16 111.83 2pyo n LYS 82 Ca 0.24 0.56 -0.33 0.00 -2.02 0.00 0.00 58.31 56.77 2pyo n LYS 82 Cb 0.93 -5.37 -0.08 0.00 -0.02 0.00 0.00 35.03 30.48 2pyo n LYS 82 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2pyo s ARG 83 N -6.37 2.86 0.00 1.97 0.52 -0.03 -4.99 118.95 112.90 2pyo s ARG 83 Ca 0.56 -0.57 0.16 0.00 -0.52 0.00 0.00 55.73 55.35 2pyo s ARG 83 Cb -0.28 -2.72 0.29 0.00 0.52 0.00 0.00 34.95 32.75 2pyo s ARG 83 CO 0.69 0.63 1.19 -1.13 0.02 0.00 0.00 175.30 176.70 2pyo n SER 84 N 1.35 2.85 -4.24 0.23 3.41 -1.26 -4.22 113.62 111.74 2pyo n SER 84 Ca -0.14 -1.84 -0.32 0.00 -0.26 0.00 0.00 58.87 56.31 2pyo n SER 84 Cb 0.53 -0.17 -0.17 0.00 -0.26 0.00 0.00 64.21 64.14 2pyo n SER 84 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2pyo s THR 85 N -1.18 2.07 -0.42 6.66 2.01 -1.26 -5.08 115.64 118.43 2pyo s THR 85 Ca 0.26 -1.03 -0.19 0.00 0.31 0.00 0.00 61.69 61.05 2pyo s THR 85 Cb 0.16 -1.77 0.02 0.00 0.01 0.00 0.00 72.50 70.92 2pyo s THR 85 CO 0.22 0.56 0.51 -0.63 -0.69 0.00 0.00 174.62 174.59 2pyo s ILE 86 N 0.16 4.99 0.55 1.82 1.01 -1.26 -4.89 121.20 123.58 2pyo s ILE 86 Ca -0.13 -0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.42 2pyo s ILE 86 Cb -0.16 -4.10 0.05 0.00 0.01 0.00 0.00 42.46 38.26 2pyo s ILE 86 CO 0.07 -0.48 0.54 0.42 0.00 0.00 0.00 174.94 175.50 2pyo s THR 87 N 2.39 1.88 0.49 2.92 -4.23 -1.26 -4.98 115.64 112.85 2pyo s THR 87 Ca 0.16 -1.30 0.32 0.00 -1.18 0.00 0.00 61.69 59.69 2pyo s THR 87 Cb -0.16 -2.18 0.35 0.00 1.34 0.00 0.00 72.50 71.85 2pyo s THR 87 CO 0.15 0.00 2.18 0.77 -0.54 0.00 0.00 174.62 177.19 2pyo h SER 88 N 0.55 0.00 -0.31 3.99 4.64 -1.99 -2.11 113.55 118.32 2pyo h SER 88 Ca -0.34 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.83 2pyo h SER 88 Cb 1.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2pyo h SER 88 CO 0.51 0.05 -0.38 -0.09 -0.87 0.00 0.00 176.83 176.05 2pyo h ARG 89 N 0.00 0.81 -0.32 4.77 2.43 -1.99 0.51 114.38 120.58 2pyo h ARG 89 Ca -0.00 -0.45 -0.02 0.00 -0.81 0.00 0.00 59.98 58.69 2pyo h ARG 89 Cb 0.18 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2pyo h ARG 89 CO 0.01 1.09 0.11 0.93 -1.51 0.00 0.00 179.97 180.59 2pyo h GLU 90 N 0.58 0.50 -0.74 0.20 3.07 -1.78 -1.80 114.58 114.61 2pyo h GLU 90 Ca 0.04 -0.10 0.09 0.00 -0.50 0.00 0.00 59.36 58.89 2pyo h GLU 90 Cb 0.97 -0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 28.74 2pyo h GLU 90 CO 0.09 0.52 0.39 0.82 -1.40 0.00 0.00 179.01 179.43 2pyo h ILE 91 N 0.37 0.88 -0.13 3.13 1.08 -1.31 0.30 117.51 121.84 2pyo h ILE 91 Ca 0.11 -0.23 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2pyo h ILE 91 Cb 0.22 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 2pyo h ILE 91 CO -0.01 0.12 0.06 -0.61 -0.69 0.00 0.00 178.15 177.03 2pyo h GLN 92 N 0.67 0.18 -0.80 2.37 4.15 -0.59 0.09 115.11 121.19 2pyo h GLN 92 Ca 0.36 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.75 2pyo h GLN 92 Cb 0.34 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.96 2pyo h GLN 92 CO -0.25 0.25 0.49 1.15 -1.93 0.00 0.00 178.83 178.53 2pyo h THR 93 N 0.07 1.22 -0.40 2.39 2.02 -0.57 -1.12 112.91 116.52 2pyo h THR 93 Ca 0.04 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 66.79 2pyo h THR 93 Cb 0.12 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 66.60 2pyo h THR 93 CO -0.01 0.23 0.18 0.00 0.37 0.00 0.00 175.52 176.29 2pyo h ALA 94 N 1.26 0.49 -0.71 6.16 0.00 0.05 -0.93 119.26 125.59 2pyo h ALA 94 Ca 0.29 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.25 2pyo h ALA 94 Cb -0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2pyo h ALA 94 CO -0.06 -0.19 0.47 0.28 0.00 0.00 0.00 179.25 179.75 2pyo h VAL 95 N 0.37 1.11 -0.27 0.00 2.07 -0.27 -0.24 116.25 119.03 2pyo h VAL 95 Ca 0.18 -0.30 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 2pyo h VAL 95 Cb 0.11 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2pyo h VAL 95 CO -0.14 0.16 -0.32 0.03 0.02 0.00 0.00 177.57 177.31 2pyo h ARG 96 N 0.87 0.56 -0.00 1.57 3.08 0.01 -0.79 114.38 119.68 2pyo h ARG 96 Ca 0.28 -0.25 -0.18 0.00 0.07 0.00 0.00 59.98 59.90 2pyo h ARG 96 Cb 0.04 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2pyo h ARG 96 CO -0.08 0.82 -0.80 -0.07 -1.07 0.00 0.00 179.97 178.76 2pyo h LEU 97 N 0.48 0.13 0.11 3.04 3.38 -0.30 -3.37 115.31 118.78 2pyo h LEU 97 Ca 0.06 -0.10 -0.36 0.00 0.09 0.00 0.00 57.88 57.56 2pyo h LEU 97 Cb 0.80 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2pyo h LEU 97 CO 0.06 0.88 -2.00 0.18 0.09 0.00 0.00 178.44 177.65 2pyo n LEU 98 N -3.66 2.62 -4.89 1.67 4.77 -0.19 -4.95 117.00 112.38 2pyo n LEU 98 Ca -0.02 0.20 -0.31 0.00 -0.03 0.00 0.00 56.01 55.85 2pyo n LEU 98 Cb 0.76 -1.10 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 2pyo n LEU 98 CO 0.46 0.83 0.16 -0.76 -1.33 0.00 0.00 177.39 176.75 2pyo s LEU 99 N -7.05 4.16 0.41 2.23 1.43 -0.31 -5.08 118.68 114.47 2pyo s LEU 99 Ca -0.24 0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 53.57 2pyo s LEU 99 Cb 0.07 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 2pyo s LEU 99 CO 0.74 -0.08 0.71 -2.16 0.23 0.00 0.00 176.35 175.80 2pyo s PRO 100 N -3.00 3.62 0.00 1.29 0.04 -1.26 -4.52 135.00 131.17 2pyo s PRO 100 Ca 0.45 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.67 2pyo s PRO 100 Cb -0.11 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.97 2pyo s PRO 100 CO 0.25 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.66 2pyo n GLY 101 N -1.68 0.00 0.20 0.56 0.00 -1.26 -1.47 105.19 101.54 2pyo n GLY 101 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2pyo n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2pyo h GLU 102 N 0.00 0.33 -0.78 1.61 4.39 -2.01 -2.01 114.58 116.11 2pyo h GLU 102 Ca 0.00 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.78 2pyo h GLU 102 Cb 0.00 -0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 28.50 2pyo h GLU 102 CO 0.00 0.22 0.41 -0.07 -1.16 0.00 0.00 179.01 178.41 2pyo h LEU 103 N 0.34 0.56 0.54 1.33 3.38 -1.63 -2.42 115.31 117.40 2pyo h LEU 103 Ca 0.25 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 2pyo h LEU 103 Cb 0.29 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2pyo h LEU 103 CO -0.27 0.31 -0.31 0.00 0.09 0.00 0.00 178.44 178.25 2pyo h ALA 104 N 1.46 -0.80 -0.62 1.53 0.00 -0.58 -1.35 119.26 118.89 2pyo h ALA 104 Ca 0.39 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.26 2pyo h ALA 104 Cb 0.41 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 18.45 2pyo h ALA 104 CO -0.27 -0.96 -0.17 0.87 0.00 0.00 0.00 179.25 178.71 2pyo h LYS 105 N -0.80 -0.01 -0.44 0.00 1.57 -1.09 0.13 116.57 115.93 2pyo h LYS 105 Ca -0.07 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 2pyo h LYS 105 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2pyo h LYS 105 CO 0.08 -0.01 -0.09 0.45 -0.57 0.00 0.00 179.45 179.31 2pyo h HIS 106 N -0.01 0.93 -0.85 -1.35 3.86 -1.37 -1.84 115.15 114.52 2pyo h HIS 106 Ca 0.30 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2pyo h HIS 106 Cb 0.47 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.67 2pyo h HIS 106 CO -0.52 0.93 0.51 0.00 0.86 0.00 0.00 177.93 179.71 2pyo h ALA 107 N 0.87 1.09 -0.78 2.45 0.00 -0.24 0.19 119.26 122.84 2pyo h ALA 107 Ca 0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2pyo h ALA 107 Cb 0.62 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2pyo h ALA 107 CO 0.04 0.55 0.34 0.28 0.00 0.00 0.00 179.25 180.45 2pyo h VAL 108 N 1.17 1.25 0.12 0.00 2.07 -0.57 0.18 116.25 120.48 2pyo h VAL 108 Ca 0.31 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 2pyo h VAL 108 Cb -0.05 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2pyo h VAL 108 CO -0.06 0.32 -0.06 0.28 0.02 0.00 0.00 177.57 178.07 2pyo h SER 109 N 1.11 -0.14 -0.63 0.57 0.02 -0.59 0.01 113.55 113.90 2pyo h SER 109 Ca 0.26 -0.20 0.09 0.00 -0.84 0.00 0.00 61.79 61.10 2pyo h SER 109 Cb 0.18 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 2pyo h SER 109 CO -0.03 0.12 0.42 -0.33 -1.14 0.00 0.00 176.83 175.87 2pyo h GLU 110 N -0.41 0.49 0.02 3.45 4.39 -0.83 0.31 114.58 122.00 2pyo h GLU 110 Ca -0.02 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.53 2pyo h GLU 110 Cb 0.33 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2pyo h GLU 110 CO 0.03 0.32 -0.50 0.78 -1.16 0.00 0.00 179.01 178.48 2pyo h GLY 111 N 0.50 0.34 0.97 -3.84 0.00 -0.78 -2.29 103.07 97.97 2pyo h GLY 111 Ca 0.29 -0.63 0.01 0.00 0.00 0.00 0.00 47.33 47.00 2pyo h GLY 111 CO -0.09 0.56 0.38 -0.84 0.00 0.00 0.00 176.54 176.56 2pyo h THR 112 N -0.30 1.13 0.11 4.70 2.02 -0.40 -1.36 112.91 118.80 2pyo h THR 112 Ca -0.07 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.85 2pyo h THR 112 Cb 1.25 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2pyo h THR 112 CO 0.10 0.14 -0.09 0.50 0.37 0.00 0.00 175.52 176.54 2pyo h LYS 113 N 0.78 -0.20 -0.89 6.66 3.64 -0.45 -0.51 116.57 125.60 2pyo h LYS 113 Ca 0.22 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.65 2pyo h LYS 113 Cb -0.06 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 2pyo h LYS 113 CO -0.06 -0.14 0.59 0.00 -2.27 0.00 0.00 179.45 177.57 2pyo h ALA 114 N 0.67 1.44 -0.09 5.00 0.00 -1.09 -0.36 119.26 124.84 2pyo h ALA 114 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2pyo h ALA 114 Cb 0.20 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2pyo h ALA 114 CO -0.02 0.47 -0.12 0.28 0.00 0.00 0.00 179.25 179.86 2pyo h VAL 115 N 1.11 1.38 -0.92 0.00 2.07 -0.94 -0.68 116.25 118.28 2pyo h VAL 115 Ca 0.36 -1.33 0.07 0.00 0.82 0.00 0.00 66.70 66.61 2pyo h VAL 115 Cb 0.03 2.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 2pyo h VAL 115 CO -0.11 0.38 0.58 0.74 0.02 0.00 0.00 177.57 179.17 2pyo h THR 116 N -0.21 1.05 -0.06 2.57 2.02 -0.82 0.43 112.91 117.88 2pyo h THR 116 Ca 0.01 -0.36 -0.19 0.00 0.77 0.00 0.00 66.41 66.65 2pyo h THR 116 Cb 0.66 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2pyo h THR 116 CO 0.03 0.19 -0.75 0.50 0.37 0.00 0.00 175.52 175.86 2pyo h LYS 117 N 1.04 0.37 -0.44 6.66 3.64 -1.05 -2.66 116.57 124.12 2pyo h LYS 117 Ca 0.40 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2pyo h LYS 117 Cb 0.19 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2pyo h LYS 117 CO -0.18 0.96 0.18 -0.92 -2.27 0.00 0.00 179.45 177.22 2pyo h TYR 118 N 0.24 0.67 0.00 1.91 3.20 -0.18 -2.64 116.97 120.18 2pyo h TYR 118 Ca -0.03 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.77 2pyo h TYR 118 Cb 1.33 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 39.40 2pyo h TYR 118 CO 0.04 0.57 -0.08 1.79 -1.64 0.00 0.00 178.16 178.84 2pyo h THR 119 N 0.58 0.19 0.00 1.81 1.35 -0.93 -2.59 112.91 113.32 2pyo h THR 119 Ca 0.15 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 2pyo h THR 119 Cb 0.18 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 2pyo h THR 119 CO -0.01 0.08 0.00 -1.54 -0.25 0.00 0.00 175.52 173.80 2pyo n SER 120 N -3.19 0.00 -4.57 5.36 3.41 -1.00 -4.71 113.62 108.92 2pyo n SER 120 Ca 0.01 -0.32 -0.28 0.00 -0.26 0.00 0.00 58.87 58.01 2pyo n SER 120 Cb 0.39 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.16 2pyo n SER 120 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2pyo s SER 121 N -2.15 4.31 0.00 4.04 0.01 -0.98 -5.10 113.70 113.84 2pyo s SER 121 Ca 0.20 -0.47 0.30 0.00 1.31 0.00 0.00 55.95 57.29 2pyo s SER 121 Cb 0.10 -0.77 1.56 0.00 0.21 0.00 0.00 66.02 67.12 2pyo s SER 121 CO 0.18 0.15 2.03 0.29 0.41 0.00 0.00 173.24 176.31