#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyo s ILE 1 N 0.00 4.96 0.12 2.02 -1.09 -1.26 -5.05 121.20 120.90 3kyo s ILE 1 Ca 0.00 1.48 0.05 0.00 -2.23 0.00 0.00 60.65 59.95 3kyo s ILE 1 Cb 0.00 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 3kyo s ILE 1 CO 0.00 0.11 0.05 -1.10 -1.23 0.00 0.00 174.94 172.77 3kyo s GLN 2 N 1.71 2.67 -0.06 2.79 -0.21 -1.26 -4.82 119.66 120.47 3kyo s GLN 2 Ca 0.36 -0.87 0.02 0.00 0.02 0.00 0.00 55.36 54.90 3kyo s GLN 2 Cb -0.17 -2.57 0.01 0.00 1.00 0.00 0.00 33.01 31.29 3kyo s GLN 2 CO 0.14 0.51 -0.12 1.03 -2.12 0.00 0.00 175.29 174.73 3kyo s ARG 3 N -2.65 1.68 0.34 2.91 0.52 -0.03 -4.95 118.95 116.78 3kyo s ARG 3 Ca 0.28 -0.42 -0.26 0.00 -0.52 0.00 0.00 55.73 54.81 3kyo s ARG 3 Cb -0.11 -1.40 -0.10 0.00 0.52 0.00 0.00 34.95 33.87 3kyo s ARG 3 CO 0.20 0.05 0.98 -0.08 0.02 0.00 0.00 175.30 176.47 3kyo s THR 4 N 0.60 4.05 0.37 0.02 -1.32 -1.26 -1.66 115.64 116.44 3kyo s THR 4 Ca -0.13 1.67 -0.27 0.00 -1.21 0.00 0.00 61.69 61.75 3kyo s THR 4 Cb -0.15 -3.91 -0.09 0.00 -1.51 0.00 0.00 72.50 66.83 3kyo s THR 4 CO 0.04 0.11 1.29 -2.16 -2.21 0.00 0.00 174.62 171.69 3kyo s PRO 5 N -2.16 4.13 -0.01 7.08 0.04 -1.26 -4.37 135.00 138.46 3kyo s PRO 5 Ca 0.52 2.15 -0.19 0.00 0.04 0.00 0.00 61.00 63.52 3kyo s PRO 5 Cb -0.20 -2.88 -0.05 0.00 0.04 0.00 0.00 34.50 31.41 3kyo s PRO 5 CO 0.25 -0.35 0.55 0.15 0.04 0.00 0.00 177.00 177.64 3kyo s LYS 6 N -2.06 4.24 -0.09 4.56 1.02 0.70 -4.92 119.74 123.19 3kyo s LYS 6 Ca 0.54 0.65 0.02 0.00 0.02 0.00 0.00 55.97 57.20 3kyo s LYS 6 Cb -0.38 -3.32 0.01 0.00 -0.52 0.00 0.00 37.83 33.62 3kyo s LYS 6 CO 0.50 0.43 -0.15 0.42 -0.92 0.00 0.00 175.35 175.63 3kyo s ILE 7 N -0.36 1.42 -0.06 2.17 1.01 -1.26 -1.61 121.20 122.51 3kyo s ILE 7 Ca 0.29 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.35 3kyo s ILE 7 Cb -0.18 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.01 3kyo s ILE 7 CO 0.16 0.42 -0.17 -1.10 0.00 0.00 0.00 174.94 174.25 3kyo s GLN 8 N 0.74 1.97 -0.14 2.79 -0.21 -0.40 -4.99 119.66 119.43 3kyo s GLN 8 Ca -0.12 -0.61 0.02 0.00 0.02 0.00 0.00 55.36 54.67 3kyo s GLN 8 Cb -0.16 -1.64 0.01 0.00 1.00 0.00 0.00 33.01 32.22 3kyo s GLN 8 CO 0.03 0.19 -0.20 0.08 -2.12 0.00 0.00 175.29 173.26 3kyo s VAL 9 N 0.23 1.95 0.13 1.09 1.01 -1.26 -0.68 120.40 122.86 3kyo s VAL 9 Ca -0.09 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 60.74 3kyo s VAL 9 Cb -0.14 -1.74 0.07 0.00 0.00 0.00 0.00 36.38 34.57 3kyo s VAL 9 CO 0.04 0.53 0.79 -0.72 0.00 0.00 0.00 175.10 175.73 3kyo s TYR 10 N 0.98 -0.33 0.32 5.22 1.13 -0.31 -4.55 117.35 119.81 3kyo s TYR 10 Ca -0.04 0.08 0.02 0.00 -1.41 0.00 0.00 57.07 55.73 3kyo s TYR 10 Cb -0.15 0.60 -0.03 0.00 -1.10 0.00 0.00 41.96 41.28 3kyo s TYR 10 CO -0.05 -0.82 0.49 -1.54 -2.51 0.00 0.00 175.55 171.13 3kyo s SER 11 N -2.74 6.27 0.09 -0.18 1.04 -1.26 0.03 113.70 116.95 3kyo s SER 11 Ca 0.06 0.30 -0.16 0.00 0.48 0.00 0.00 55.95 56.63 3kyo s SER 11 Cb -0.02 -1.93 -0.09 0.00 0.10 0.00 0.00 66.02 64.08 3kyo s SER 11 CO -0.05 -0.24 1.43 -0.09 0.98 0.00 0.00 173.24 175.27 3kyo h ARG 12 N 0.87 0.59 -6.20 4.02 2.43 -1.43 -3.45 114.38 111.21 3kyo h ARG 12 Ca -0.50 -0.28 -0.61 0.00 -0.81 0.00 0.00 59.98 57.78 3kyo h ARG 12 Cb 1.22 -0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 30.63 3kyo h ARG 12 CO 0.61 0.86 -0.75 -1.01 -1.51 0.00 0.00 179.97 178.16 3kyo s HIS 13 N -4.51 2.31 0.12 2.20 3.76 -1.26 -5.04 115.29 112.88 3kyo s HIS 13 Ca -0.13 -0.33 -0.35 0.00 -0.15 0.00 0.00 55.06 54.10 3kyo s HIS 13 Cb 0.08 -1.01 -0.16 0.00 1.11 0.00 0.00 32.58 32.60 3kyo s HIS 13 CO 0.80 0.71 1.29 -2.30 -0.85 0.00 0.00 174.74 174.39 3kyo n PRO 14 N -0.64 1.21 -2.43 8.40 -0.02 -1.26 -4.84 135.00 135.41 3kyo n PRO 14 Ca -0.05 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 3kyo n PRO 14 Cb 0.60 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 32.01 3kyo n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kyo s ALA 15 N 0.27 3.40 -0.09 3.55 0.00 -1.26 -5.02 121.76 122.62 3kyo s ALA 15 Ca 0.80 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.56 3kyo s ALA 15 Cb -0.90 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 18.78 3kyo s ALA 15 CO 0.48 -0.50 -0.08 -2.00 0.00 0.00 0.00 175.76 173.66 3kyo s GLU 16 N 1.30 1.50 0.20 0.00 2.12 -1.26 -5.11 118.70 117.45 3kyo s GLU 16 Ca 0.58 -0.28 -0.32 0.00 0.36 0.00 0.00 54.97 55.31 3kyo s GLU 16 Cb -0.28 -1.46 -0.14 0.00 0.26 0.00 0.00 34.13 32.50 3kyo s GLU 16 CO 0.28 -0.17 1.38 0.09 -0.54 0.00 0.00 175.26 176.30 3kyo n ASN 17 N 4.56 2.44 0.00 -1.70 3.02 -1.26 -1.06 115.26 121.26 3kyo n ASN 17 Ca -0.16 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 3kyo n ASN 17 Cb 0.51 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.31 3kyo n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kyo n GLY 18 N 2.34 1.75 3.48 7.41 0.00 0.07 -4.99 105.19 115.25 3kyo n GLY 18 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3kyo n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kyo s LYS 19 N -0.23 3.27 0.50 1.61 -0.14 -0.22 -4.98 119.74 119.55 3kyo s LYS 19 Ca 0.00 -0.58 -0.23 0.00 -1.36 0.00 0.00 55.97 53.79 3kyo s LYS 19 Cb 0.00 -2.71 -0.07 0.00 -1.68 0.00 0.00 37.83 33.37 3kyo s LYS 19 CO 0.00 0.37 1.35 0.45 -0.76 0.00 0.00 175.35 176.77 3kyo n SER 20 N 3.09 2.80 -0.82 2.83 2.88 -1.26 -4.24 113.62 118.90 3kyo n SER 20 Ca -0.18 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 3kyo n SER 20 Cb 0.53 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 3kyo n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3kyo n ASN 21 N -0.56 0.00 -4.04 -3.46 2.85 0.29 -4.98 115.26 105.35 3kyo n ASN 21 Ca 0.08 -0.82 -0.20 0.00 -0.11 0.00 0.00 54.58 53.54 3kyo n ASN 21 Cb 0.43 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.30 3kyo n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3kyo s PHE 22 N -7.65 0.98 -0.26 1.20 0.08 -1.26 -1.39 117.98 109.67 3kyo s PHE 22 Ca 0.00 -0.20 -0.10 0.00 0.12 0.00 0.00 56.93 56.75 3kyo s PHE 22 Cb 0.00 -0.64 -0.04 0.00 -0.57 0.00 0.00 43.02 41.76 3kyo s PHE 22 CO 0.00 -0.04 0.15 -1.17 -0.10 0.00 0.00 175.22 174.06 3kyo s LEU 23 N -0.15 3.86 0.04 -0.37 2.96 0.19 -0.95 118.68 124.26 3kyo s LEU 23 Ca 0.02 -0.05 0.05 0.00 -0.22 0.00 0.00 54.13 53.94 3kyo s LEU 23 Cb -0.05 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 3kyo s LEU 23 CO -0.00 -0.02 -0.10 0.20 -1.32 0.00 0.00 176.35 175.10 3kyo s ASN 24 N 1.59 4.37 -0.16 3.68 0.01 0.10 -1.46 114.94 123.06 3kyo s ASN 24 Ca 0.07 -0.28 -0.02 0.00 -0.71 0.00 0.00 52.86 51.91 3kyo s ASN 24 Cb -0.15 -0.90 0.05 0.00 0.41 0.00 0.00 41.25 40.66 3kyo s ASN 24 CO 0.08 0.24 0.02 0.00 -1.51 0.00 0.00 177.10 175.93 3kyo s TYR 26 N 1.85 3.18 -0.18 0.00 5.04 0.14 -0.71 117.35 126.68 3kyo s TYR 26 Ca 0.01 -0.10 -0.02 0.00 -2.44 0.00 0.00 57.07 54.52 3kyo s TYR 26 Cb -0.16 -2.35 -0.01 0.00 0.35 0.00 0.00 41.96 39.80 3kyo s TYR 26 CO -0.07 -0.25 -0.09 0.14 -1.34 0.00 0.00 175.55 173.94 3kyo s VAL 27 N 1.71 3.15 0.21 3.14 -7.23 -0.28 -1.27 120.40 119.83 3kyo s VAL 27 Ca 0.07 -0.59 -0.06 0.00 -1.81 0.00 0.00 61.98 59.58 3kyo s VAL 27 Cb -0.16 -2.38 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 3kyo s VAL 27 CO 0.09 0.48 0.27 -0.94 -0.31 0.00 0.00 175.10 174.68 3kyo s SER 28 N 0.94 0.06 -0.84 4.85 1.04 -0.63 -1.12 113.70 118.00 3kyo s SER 28 Ca -0.02 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.25 3kyo s SER 28 Cb -0.15 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3kyo s SER 28 CO -0.00 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88 3kyo n GLY 29 N -0.30 0.98 3.78 7.32 0.00 -0.62 -0.21 105.19 116.14 3kyo n GLY 29 Ca -0.01 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 3kyo n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kyo s PHE 30 N -2.26 3.06 -0.28 1.61 -0.71 -1.13 -4.34 117.98 113.92 3kyo s PHE 30 Ca 0.00 -0.08 -0.18 0.00 -1.04 0.00 0.00 56.93 55.63 3kyo s PHE 30 Cb 0.00 -1.43 0.10 0.00 -1.21 0.00 0.00 43.02 40.49 3kyo s PHE 30 CO 0.00 0.53 0.82 -1.58 -1.34 0.00 0.00 175.22 173.65 3kyo s HIS 31 N -1.93 -0.82 0.42 3.49 2.46 -0.66 -0.69 115.29 117.55 3kyo s HIS 31 Ca 0.31 1.70 -0.07 0.00 0.47 0.00 0.00 55.06 57.47 3kyo s HIS 31 Cb -0.09 0.48 0.10 0.00 -0.13 0.00 0.00 32.58 32.94 3kyo s HIS 31 CO 0.23 -0.40 0.45 -0.35 -2.47 0.00 0.00 174.74 172.19 3kyo n PRO 32 N 3.73 -1.22 0.17 2.88 -0.04 -1.26 -0.85 135.00 138.41 3kyo n PRO 32 Ca -0.18 -0.71 0.09 0.00 -0.04 0.00 0.00 63.50 62.66 3kyo n PRO 32 Cb 0.58 -0.57 0.09 0.00 -0.04 0.00 0.00 33.50 33.56 3kyo n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kyo h SER 33 N -1.20 0.00 -3.13 3.54 4.64 -2.00 -3.45 113.55 111.95 3kyo h SER 33 Ca -0.16 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.64 3kyo h SER 33 Cb 0.46 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.60 3kyo h SER 33 CO 0.11 0.16 0.82 -1.81 -0.87 0.00 0.00 176.83 175.23 3kyo s ASP 34 N -6.08 6.61 -0.16 4.97 1.11 -1.26 -5.00 116.67 116.87 3kyo s ASP 34 Ca 0.04 2.65 -0.24 0.00 0.18 0.00 0.00 52.55 55.18 3kyo s ASP 34 Cb 0.07 -2.61 0.06 0.00 1.07 0.00 0.00 42.92 41.51 3kyo s ASP 34 CO 0.72 -0.77 0.63 -0.51 1.18 0.00 0.00 175.17 176.42 3kyo s ILE 35 N 0.52 0.00 -0.10 0.77 2.07 -1.26 -4.63 121.20 118.58 3kyo s ILE 35 Ca 0.64 -0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.86 3kyo s ILE 35 Cb -0.43 -0.90 -0.02 0.00 0.13 0.00 0.00 42.46 41.24 3kyo s ILE 35 CO 0.38 -0.02 -0.15 -1.61 -1.91 0.00 0.00 174.94 171.63 3kyo s GLU 36 N -0.26 3.07 -0.03 3.50 2.02 -0.46 -5.00 118.70 121.53 3kyo s GLU 36 Ca -0.04 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.23 3kyo s GLU 36 Cb -0.03 -2.51 0.03 0.00 0.10 0.00 0.00 34.13 31.72 3kyo s GLU 36 CO 0.04 0.33 0.02 0.08 0.02 0.00 0.00 175.26 175.75 3kyo s VAL 37 N 0.02 0.07 0.00 2.63 1.01 -1.26 -1.50 120.40 121.38 3kyo s VAL 37 Ca -0.05 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.15 3kyo s VAL 37 Cb -0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 3kyo s VAL 37 CO 0.04 0.13 -0.19 -1.81 0.00 0.00 0.00 175.10 173.28 3kyo s ASP 38 N 1.16 2.19 -0.11 3.32 1.01 -0.08 -4.99 116.67 119.17 3kyo s ASP 38 Ca -0.08 -0.38 -0.15 0.00 0.71 0.00 0.00 52.55 52.65 3kyo s ASP 38 Cb -0.13 -0.22 -0.05 0.00 1.01 0.00 0.00 42.92 43.53 3kyo s ASP 38 CO -0.02 0.20 0.36 -0.76 0.21 0.00 0.00 175.17 175.16 3kyo s LEU 39 N -0.64 4.31 -0.03 1.23 1.43 -1.26 0.27 118.68 123.99 3kyo s LEU 39 Ca 0.07 0.69 0.03 0.00 -1.03 0.00 0.00 54.13 53.89 3kyo s LEU 39 Cb -0.07 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 3kyo s LEU 39 CO -0.00 0.14 -0.10 -0.76 0.23 0.00 0.00 176.35 175.85 3kyo s LEU 40 N 0.10 2.98 -0.13 1.79 1.43 0.44 -0.70 118.68 124.59 3kyo s LEU 40 Ca 0.21 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 3kyo s LEU 40 Cb -0.14 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.42 3kyo s LEU 40 CO 0.08 0.32 -0.17 -0.75 0.23 0.00 0.00 176.35 176.07 3kyo s LYS 41 N -1.02 2.44 -1.67 1.70 2.20 0.45 -1.76 119.74 122.08 3kyo s LYS 41 Ca 0.14 -0.63 -0.17 0.00 -0.36 0.00 0.00 55.97 54.95 3kyo s LYS 41 Cb -0.11 -2.09 0.14 0.00 -1.51 0.00 0.00 37.83 34.26 3kyo s LYS 41 CO 0.03 -0.10 0.77 0.09 -0.36 0.00 0.00 175.35 175.78 3kyo n ASN 42 N 4.33 -3.15 0.00 1.43 3.02 0.14 -1.27 115.26 119.76 3kyo n ASN 42 Ca -0.19 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 3kyo n ASN 42 Cb 0.51 -2.86 0.00 0.00 -0.61 0.00 0.00 39.78 36.82 3kyo n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kyo n GLY 43 N -1.48 1.67 3.52 7.41 0.00 -1.26 -5.03 105.19 110.01 3kyo n GLY 43 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3kyo n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kyo s GLU 44 N -0.43 1.89 0.20 1.61 0.41 -0.40 -5.01 118.70 116.98 3kyo s GLU 44 Ca 0.00 -1.13 -0.32 0.00 -0.41 0.00 0.00 54.97 53.11 3kyo s GLU 44 Cb 0.00 -2.18 -0.15 0.00 -1.78 0.00 0.00 34.13 30.03 3kyo s GLU 44 CO 0.00 0.49 1.27 -2.13 -0.49 0.00 0.00 175.26 174.40 3kyo n ARG 45 N 0.76 1.54 -3.14 1.61 0.63 -1.26 -0.41 116.66 116.38 3kyo n ARG 45 Ca -0.15 0.55 -0.39 0.00 -0.92 0.00 0.00 57.85 56.94 3kyo n ARG 45 Cb 0.53 -2.12 -0.06 0.00 0.45 0.00 0.00 32.46 31.26 3kyo n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3kyo s ILE 46 N -0.11 4.77 0.68 5.15 1.01 0.13 -4.77 121.20 128.06 3kyo s ILE 46 Ca 0.71 1.38 -0.16 0.00 0.00 0.00 0.00 60.65 62.58 3kyo s ILE 46 Cb -0.77 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 37.72 3kyo s ILE 46 CO 0.51 0.44 1.22 -1.83 0.00 0.00 0.00 174.94 175.28 3kyo s GLU 47 N -0.45 2.43 -1.41 2.79 -1.05 -1.26 -4.32 118.70 115.44 3kyo s GLU 47 Ca 0.33 1.81 -0.05 0.00 -0.15 0.00 0.00 54.97 56.90 3kyo s GLU 47 Cb -0.20 -1.86 0.01 0.00 -0.44 0.00 0.00 34.13 31.64 3kyo s GLU 47 CO 0.20 -1.62 0.69 1.63 0.95 0.00 0.00 175.26 177.11 3kyo n LYS 48 N -2.31 -5.24 -2.80 -4.83 5.02 -1.26 -4.95 118.16 101.80 3kyo n LYS 48 Ca 0.14 0.83 -0.41 0.00 -2.02 0.00 0.00 58.31 56.84 3kyo n LYS 48 Cb 0.50 -5.59 -0.03 0.00 -0.02 0.00 0.00 35.03 29.88 3kyo n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kyo s VAL 49 N -3.18 4.91 0.43 -0.18 1.01 -1.26 -4.78 120.40 117.36 3kyo s VAL 49 Ca 0.34 1.88 0.07 0.00 0.00 0.00 0.00 61.98 64.28 3kyo s VAL 49 Cb -0.15 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 3kyo s VAL 49 CO 0.43 0.17 0.29 -1.61 0.00 0.00 0.00 175.10 174.37 3kyo s GLU 50 N 1.04 2.35 0.10 2.72 2.02 -0.43 -4.94 118.70 121.57 3kyo s GLU 50 Ca 0.48 -1.75 -0.06 0.00 0.02 0.00 0.00 54.97 53.65 3kyo s GLU 50 Cb -0.20 -2.15 -0.01 0.00 0.10 0.00 0.00 34.13 31.87 3kyo s GLU 50 CO 0.24 -0.22 0.16 -3.38 0.02 0.00 0.00 175.26 172.08 3kyo s HIS 51 N -2.58 0.36 0.85 1.61 -3.43 -1.26 -1.00 115.29 109.84 3kyo s HIS 51 Ca 0.43 -0.79 -0.12 0.00 -0.80 0.00 0.00 55.06 53.78 3kyo s HIS 51 Cb 0.00 -0.17 0.10 0.00 -1.43 0.00 0.00 32.58 31.08 3kyo s HIS 51 CO 0.24 -0.55 1.13 -1.54 -2.00 0.00 0.00 174.74 172.02 3kyo s SER 52 N -2.92 4.08 0.24 7.38 1.04 0.21 -4.99 113.70 118.75 3kyo s SER 52 Ca 0.10 1.05 -0.30 0.00 0.48 0.00 0.00 55.95 57.29 3kyo s SER 52 Cb 0.05 -1.67 -0.09 0.00 0.10 0.00 0.00 66.02 64.41 3kyo s SER 52 CO -0.07 -2.20 1.26 -1.81 0.98 0.00 0.00 173.24 171.40 3kyo s ASP 53 N -4.10 6.96 0.29 7.02 1.01 -1.26 -4.75 116.67 121.83 3kyo s ASP 53 Ca 0.62 2.42 -0.30 0.00 0.71 0.00 0.00 52.55 56.00 3kyo s ASP 53 Cb -0.14 -2.62 -0.12 0.00 1.01 0.00 0.00 42.92 41.05 3kyo s ASP 53 CO 0.53 -0.44 1.61 -0.11 0.21 0.00 0.00 175.17 176.96 3kyo n LEU 54 N 1.95 4.36 0.00 1.23 7.94 -1.26 -4.88 117.00 126.33 3kyo n LEU 54 Ca 0.03 1.14 -0.12 0.00 -1.11 0.00 0.00 56.01 55.96 3kyo n LEU 54 Cb 0.43 -1.59 -0.03 0.00 0.53 0.00 0.00 43.42 42.76 3kyo n LEU 54 CO 0.57 0.16 0.10 -0.24 -1.11 0.00 0.00 177.39 176.87 3kyo n SER 55 N 2.27 -0.96 -3.85 1.96 2.88 -1.05 -5.03 113.62 109.84 3kyo n SER 55 Ca 0.09 -2.46 -0.10 0.00 -1.33 0.00 0.00 58.87 55.06 3kyo n SER 55 Cb 0.37 1.83 -0.08 0.00 -0.75 0.00 0.00 64.21 65.57 3kyo n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3kyo s PHE 56 N -3.37 0.07 0.71 0.66 -0.12 -1.26 -1.32 117.98 113.35 3kyo s PHE 56 Ca 0.23 -0.30 0.01 0.00 -0.05 0.00 0.00 56.93 56.82 3kyo s PHE 56 Cb -0.00 -0.04 0.13 0.00 -0.63 0.00 0.00 43.02 42.47 3kyo s PHE 56 CO 0.17 -0.43 0.98 -1.12 -0.05 0.00 0.00 175.22 174.77 3kyo s SER 57 N -2.10 4.40 0.38 1.98 0.01 0.32 -4.93 113.70 113.75 3kyo s SER 57 Ca -0.05 -0.47 0.06 0.00 1.31 0.00 0.00 55.95 56.80 3kyo s SER 57 Cb -0.01 0.10 0.76 0.00 0.21 0.00 0.00 66.02 67.08 3kyo s SER 57 CO -0.04 -1.83 2.00 0.11 0.41 0.00 0.00 173.24 173.89 3kyo h LYS 58 N -0.45 0.69 -0.04 12.44 1.57 -2.03 0.20 116.57 128.95 3kyo h LYS 58 Ca -0.35 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3kyo h LYS 58 Cb 1.27 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3kyo h LYS 58 CO 0.39 0.45 0.00 -0.40 -0.57 0.00 0.00 179.45 179.33 3kyo n ASP 59 N -4.46 0.16 0.00 0.86 5.68 -1.26 -4.88 116.55 112.64 3kyo n ASP 59 Ca 0.07 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.36 3kyo n ASP 59 Cb 0.14 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 3kyo n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3kyo n TRP 60 N -0.41 0.00 -2.45 2.11 7.02 0.70 -5.02 117.44 119.39 3kyo n TRP 60 Ca 0.01 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.13 3kyo n TRP 60 Cb 0.03 -0.14 -0.03 0.00 -2.42 0.00 0.00 31.31 28.75 3kyo n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3kyo s SER 61 N -2.84 6.40 0.52 -0.99 1.04 -1.26 -4.70 113.70 111.87 3kyo s SER 61 Ca 0.00 2.08 -0.06 0.00 0.48 0.00 0.00 55.95 58.45 3kyo s SER 61 Cb 0.00 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 3kyo s SER 61 CO 0.00 -0.74 0.84 -0.36 0.98 0.00 0.00 173.24 173.96 3kyo s PHE 62 N -1.74 3.52 -0.00 5.02 0.08 0.13 -0.52 117.98 124.46 3kyo s PHE 62 Ca 0.63 0.85 -0.18 0.00 0.12 0.00 0.00 56.93 58.35 3kyo s PHE 62 Cb -0.22 -2.44 0.03 0.00 -0.57 0.00 0.00 43.02 39.83 3kyo s PHE 62 CO 0.27 -0.43 0.39 1.52 -0.10 0.00 0.00 175.22 176.87 3kyo s TYR 63 N -2.85 -0.27 0.01 0.36 -0.85 -0.43 -1.59 117.35 111.73 3kyo s TYR 63 Ca 0.50 0.37 -0.10 0.00 -0.52 0.00 0.00 57.07 57.32 3kyo s TYR 63 Cb -0.10 0.17 0.01 0.00 0.38 0.00 0.00 41.96 42.42 3kyo s TYR 63 CO 0.46 -0.47 0.20 -0.51 -1.52 0.00 0.00 175.55 173.71 3kyo s LEU 64 N -1.51 1.32 -0.19 -3.49 1.43 -0.28 -2.54 118.68 113.43 3kyo s LEU 64 Ca -0.11 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 3kyo s LEU 64 Cb -0.03 0.90 -0.01 0.00 0.03 0.00 0.00 46.19 47.09 3kyo s LEU 64 CO 0.03 -0.44 -0.10 -0.22 0.23 0.00 0.00 176.35 175.86 3kyo s LEU 65 N -1.56 2.72 -0.09 1.79 2.96 -1.26 -1.12 118.68 122.11 3kyo s LEU 65 Ca -0.12 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 3kyo s LEU 65 Cb -0.05 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 3kyo s LEU 65 CO 0.01 0.04 0.09 -0.31 -1.32 0.00 0.00 176.35 174.86 3kyo s TYR 66 N 1.09 3.42 0.10 5.38 1.51 0.11 -0.62 117.35 128.34 3kyo s TYR 66 Ca 0.00 0.38 -0.18 0.00 -1.01 0.00 0.00 57.07 56.27 3kyo s TYR 66 Cb -0.15 -1.86 0.04 0.00 -0.11 0.00 0.00 41.96 39.88 3kyo s TYR 66 CO -0.02 0.63 0.43 1.52 -1.11 0.00 0.00 175.55 177.00 3kyo s TYR 67 N -1.02 -0.27 -0.06 2.71 1.13 -0.17 -0.48 117.35 119.19 3kyo s TYR 67 Ca 0.16 0.06 -0.21 0.00 -1.41 0.00 0.00 57.07 55.67 3kyo s TYR 67 Cb -0.12 0.28 0.04 0.00 -1.10 0.00 0.00 41.96 41.07 3kyo s TYR 67 CO 0.05 -0.68 0.48 -0.08 -2.51 0.00 0.00 175.55 172.82 3kyo s THR 68 N -3.34 0.03 0.29 -3.49 -1.32 -0.54 -1.31 115.64 105.96 3kyo s THR 68 Ca -0.00 -0.22 -0.29 0.00 -1.21 0.00 0.00 61.69 59.97 3kyo s THR 68 Cb 0.01 -0.77 -0.10 0.00 -1.51 0.00 0.00 72.50 70.13 3kyo s THR 68 CO -0.09 -0.12 1.20 -1.61 -2.21 0.00 0.00 174.62 171.79 3kyo s GLU 69 N -0.99 4.51 0.09 7.08 2.02 -1.26 -0.64 118.70 129.52 3kyo s GLU 69 Ca -0.10 1.99 -0.18 0.00 0.02 0.00 0.00 54.97 56.70 3kyo s GLU 69 Cb -0.03 -3.14 0.04 0.00 0.10 0.00 0.00 34.13 31.10 3kyo s GLU 69 CO 0.06 0.01 0.43 -0.59 0.02 0.00 0.00 175.26 175.19 3kyo s PHE 70 N -1.04 -0.27 -0.32 1.61 -0.71 -0.49 -4.86 117.98 111.90 3kyo s PHE 70 Ca 0.47 0.09 -0.00 0.00 -1.04 0.00 0.00 56.93 56.45 3kyo s PHE 70 Cb -0.35 0.28 0.07 0.00 -1.21 0.00 0.00 43.02 41.81 3kyo s PHE 70 CO 0.45 -0.67 0.04 0.99 -1.34 0.00 0.00 175.22 174.70 3kyo s THR 71 N -3.23 2.82 0.51 -4.49 2.01 -1.26 -0.55 115.64 111.45 3kyo s THR 71 Ca -0.01 -1.72 -0.21 0.00 0.31 0.00 0.00 61.69 60.06 3kyo s THR 71 Cb 0.01 -2.77 -0.06 0.00 0.01 0.00 0.00 72.50 69.69 3kyo s THR 71 CO -0.08 -0.30 1.17 -2.16 -0.69 0.00 0.00 174.62 172.56 3kyo s PRO 72 N 1.15 3.48 0.33 4.92 0.04 -1.26 -4.79 135.00 138.88 3kyo s PRO 72 Ca -0.00 1.75 0.03 0.00 0.04 0.00 0.00 61.00 62.82 3kyo s PRO 72 Cb -0.20 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 3kyo s PRO 72 CO -0.03 -0.78 0.08 0.95 0.04 0.00 0.00 177.00 177.25 3kyo s THR 73 N -1.62 1.00 0.23 1.26 -4.23 -1.26 -0.75 115.64 110.27 3kyo s THR 73 Ca 0.69 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.14 3kyo s THR 73 Cb -0.28 -2.69 0.18 0.00 1.34 0.00 0.00 72.50 71.06 3kyo s THR 73 CO 0.32 0.00 1.80 -0.08 -0.54 0.00 0.00 174.62 176.12 3kyo h GLU 74 N 2.09 0.68 0.00 3.99 4.81 -1.97 -3.28 114.58 120.90 3kyo h GLU 74 Ca -0.39 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 58.68 3kyo h GLU 74 Cb 1.25 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 3kyo h GLU 74 CO 0.66 0.45 -1.22 1.57 -0.73 0.00 0.00 179.01 179.75 3kyo h LYS 75 N 0.70 0.00 -6.82 1.92 2.10 -2.02 -3.47 116.57 108.99 3kyo h LYS 75 Ca 0.36 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 58.53 3kyo h LYS 75 Cb 0.32 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.63 3kyo h LYS 75 CO -0.24 0.22 0.34 -0.51 -2.00 0.00 0.00 179.45 177.26 3kyo s ASP 76 N -5.73 7.45 -0.12 7.07 1.01 -1.24 -5.03 116.67 120.09 3kyo s ASP 76 Ca -0.02 1.86 -0.00 0.00 0.71 0.00 0.00 52.55 55.11 3kyo s ASP 76 Cb 0.09 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.41 3kyo s ASP 76 CO 0.80 0.03 -0.11 -1.61 0.21 0.00 0.00 175.17 174.49 3kyo s GLU 77 N -1.69 3.25 0.15 8.23 2.02 -1.26 -4.81 118.70 124.58 3kyo s GLU 77 Ca 0.46 -0.65 0.11 0.00 0.02 0.00 0.00 54.97 54.91 3kyo s GLU 77 Cb -0.21 -2.64 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 3kyo s GLU 77 CO 0.27 0.32 -0.26 0.71 0.02 0.00 0.00 175.26 176.32 3kyo s TYR 78 N 0.09 2.30 0.22 1.61 2.02 -1.26 -0.68 117.35 121.65 3kyo s TYR 78 Ca -0.05 -0.37 -0.20 0.00 -0.37 0.00 0.00 57.07 56.08 3kyo s TYR 78 Cb -0.14 -1.21 0.03 0.00 -0.40 0.00 0.00 41.96 40.23 3kyo s TYR 78 CO 0.04 0.39 0.61 0.00 -1.57 0.00 0.00 175.55 175.02 3kyo s ALA 79 N -1.25 -1.13 -0.01 3.71 0.00 -0.72 -0.79 121.76 121.57 3kyo s ALA 79 Ca 0.16 -0.15 0.08 0.00 0.00 0.00 0.00 51.96 52.05 3kyo s ALA 79 Cb -0.09 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 3kyo s ALA 79 CO 0.07 -0.89 -0.26 0.00 0.00 0.00 0.00 175.76 174.69 3kyo s ARG 81 N -0.72 2.73 -0.05 0.00 3.52 0.14 -1.38 118.95 123.19 3kyo s ARG 81 Ca 0.10 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 54.97 3kyo s ARG 81 Cb -0.10 -2.14 0.01 0.00 -1.56 0.00 0.00 34.95 31.15 3kyo s ARG 81 CO -0.00 0.09 -0.13 0.08 -0.81 0.00 0.00 175.30 174.52 3kyo s VAL 82 N 0.57 1.12 0.01 7.11 1.01 -0.20 -0.91 120.40 129.12 3kyo s VAL 82 Ca -0.14 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.39 3kyo s VAL 82 Cb -0.17 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 3kyo s VAL 82 CO 0.05 0.34 -0.21 0.21 0.00 0.00 0.00 175.10 175.49 3kyo s ASN 83 N 0.34 2.49 0.04 3.32 3.04 -0.56 0.05 114.94 123.66 3kyo s ASN 83 Ca -0.08 -0.44 -0.25 0.00 0.04 0.00 0.00 52.86 52.13 3kyo s ASN 83 Cb -0.12 -0.25 0.06 0.00 -1.54 0.00 0.00 41.25 39.40 3kyo s ASN 83 CO 0.02 0.22 0.58 -2.28 -3.04 0.00 0.00 177.10 172.61 3kyo s HIS 84 N -0.62 -0.51 0.54 0.43 5.65 -1.26 -1.36 115.29 118.16 3kyo s HIS 84 Ca 0.08 0.63 0.29 0.00 0.25 0.00 0.00 55.06 56.30 3kyo s HIS 84 Cb -0.08 0.41 1.45 0.00 -1.18 0.00 0.00 32.58 33.17 3kyo s HIS 84 CO 0.00 -0.68 1.94 -0.24 -0.65 0.00 0.00 174.74 175.11 3kyo h VAL 85 N 2.68 0.62 0.00 0.89 3.04 -1.95 -0.65 116.25 120.89 3kyo h VAL 85 Ca -0.30 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 3kyo h VAL 85 Cb 1.21 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 3kyo h VAL 85 CO 0.40 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.31 3kyo n THR 86 N -4.29 0.29 -4.60 3.17 -2.24 -1.26 -4.78 114.28 100.59 3kyo n THR 86 Ca 0.14 0.07 -0.34 0.00 -2.27 0.00 0.00 64.05 61.66 3kyo n THR 86 Cb 0.79 -0.70 -0.12 0.00 -2.10 0.00 0.00 70.33 68.20 3kyo n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kyo s LEU 87 N -2.57 3.15 0.20 3.22 1.43 -0.25 -4.99 118.68 118.86 3kyo s LEU 87 Ca 0.21 -0.07 0.11 0.00 -1.03 0.00 0.00 54.13 53.35 3kyo s LEU 87 Cb 0.15 -1.70 -0.07 0.00 0.03 0.00 0.00 46.19 44.60 3kyo s LEU 87 CO 0.34 0.31 1.36 0.77 0.23 0.00 0.00 176.35 179.37 3kyo h SER 88 N 5.66 0.00 -5.25 2.29 4.64 -1.86 -3.44 113.55 115.59 3kyo h SER 88 Ca -0.43 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.77 3kyo h SER 88 Cb 1.18 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.13 3kyo h SER 88 CO 0.55 0.74 -0.53 0.00 -0.87 0.00 0.00 176.83 176.72 3kyo s GLN 89 N -2.84 0.82 0.37 4.77 -2.07 -1.26 -5.13 119.66 114.32 3kyo s GLN 89 Ca 0.03 -1.18 -0.26 0.00 -1.82 0.00 0.00 55.36 52.13 3kyo s GLN 89 Cb 0.09 0.28 -0.12 0.00 -1.09 0.00 0.00 33.01 32.17 3kyo s GLN 89 CO 0.78 -0.23 1.07 -2.30 -1.32 0.00 0.00 175.29 173.29 3kyo n PRO 90 N -0.03 1.51 -3.64 9.60 -0.02 -1.26 -4.92 135.00 136.25 3kyo n PRO 90 Ca -0.12 0.54 -0.37 0.00 -2.02 0.00 0.00 63.50 61.53 3kyo n PRO 90 Cb 0.62 -2.05 -0.10 0.00 -0.02 0.00 0.00 33.50 31.96 3kyo n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3kyo s LYS 91 N -1.86 4.03 -0.21 -0.52 2.20 0.11 -4.90 119.74 118.59 3kyo s LYS 91 Ca 0.60 -0.29 -0.06 0.00 -0.36 0.00 0.00 55.97 55.86 3kyo s LYS 91 Cb -0.60 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.12 3kyo s LYS 91 CO 0.59 -0.02 0.03 0.42 -0.36 0.00 0.00 175.35 176.01 3kyo s ILE 92 N 1.28 4.24 -0.15 5.43 1.01 -1.26 -1.03 121.20 130.72 3kyo s ILE 92 Ca 0.07 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.52 3kyo s ILE 92 Cb -0.14 -2.93 -0.00 0.00 0.01 0.00 0.00 42.46 39.40 3kyo s ILE 92 CO 0.07 0.41 -0.16 -0.69 0.00 0.00 0.00 174.94 174.56 3kyo s VAL 93 N 1.00 2.58 0.16 2.92 1.01 -0.48 -4.96 120.40 122.63 3kyo s VAL 93 Ca 0.03 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 3kyo s VAL 93 Cb -0.14 -2.08 -0.08 0.00 0.00 0.00 0.00 36.38 34.09 3kyo s VAL 93 CO 0.02 0.52 0.66 -0.54 0.00 0.00 0.00 175.10 175.77 3kyo s LYS 94 N 0.75 4.24 -0.13 2.72 1.02 -1.26 -0.51 119.74 126.57 3kyo s LYS 94 Ca -0.07 0.81 -0.29 0.00 0.02 0.00 0.00 55.97 56.44 3kyo s LYS 94 Cb -0.16 -3.04 -0.05 0.00 -0.52 0.00 0.00 37.83 34.07 3kyo s LYS 94 CO 0.01 0.50 1.84 -0.46 -0.92 0.00 0.00 175.35 176.31 3kyo s TRP 95 N -1.35 1.68 -0.49 3.18 -0.00 0.03 -4.86 118.94 117.12 3kyo s TRP 95 Ca 0.37 0.23 -0.13 0.00 -0.00 0.00 0.00 56.10 56.58 3kyo s TRP 95 Cb -0.18 -4.03 0.11 0.00 -0.00 0.00 0.00 33.47 29.37 3kyo s TRP 95 CO 0.21 -3.99 0.40 0.34 -0.00 0.00 0.00 176.95 173.92 3kyo s ASP 96 N 5.01 5.94 0.94 5.86 -1.08 -1.26 -4.76 116.67 127.32 3kyo s ASP 96 Ca 0.82 -1.76 -0.13 0.00 -0.52 0.00 0.00 52.55 50.96 3kyo s ASP 96 Cb -0.32 -2.11 0.15 0.00 -1.46 0.00 0.00 42.92 39.18 3kyo s ASP 96 CO 0.34 -0.74 1.14 -0.13 0.52 0.00 0.00 175.17 176.29 3kyo s ARG 97 N 1.49 0.90 0.00 4.34 0.52 -1.26 -3.51 118.95 121.43 3kyo s ARG 97 Ca 0.04 0.27 0.00 0.00 -0.52 0.00 0.00 55.73 55.52 3kyo s ARG 97 Cb -0.27 -1.81 0.00 0.00 0.52 0.00 0.00 34.95 33.38 3kyo s ARG 97 CO 0.02 -2.35 0.00 -0.25 0.02 0.00 0.00 175.30 172.73 3kyo n ASP 98 N -3.87 -1.24 0.00 0.23 8.00 -1.26 -5.25 116.55 113.17 3kyo n ASP 98 Ca 0.07 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.64 3kyo n ASP 98 Cb 0.59 -1.15 0.44 0.00 -0.02 0.00 0.00 41.12 40.98 3kyo n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04