#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hsa s GLN 2 N 0.00 0.90 -0.04 9.51 -0.21 -1.26 -4.52 119.66 124.05 1hsa s GLN 2 Ca 0.00 -0.75 -0.03 0.00 0.02 0.00 0.00 55.36 54.60 1hsa s GLN 2 Cb 0.00 -0.90 0.01 0.00 1.00 0.00 0.00 33.01 33.12 1hsa s GLN 2 CO 0.00 0.22 0.09 1.03 -2.12 0.00 0.00 175.29 174.51 1hsa s ARG 3 N -1.15 0.10 0.13 2.91 0.52 0.50 -4.89 118.95 117.07 1hsa s ARG 3 Ca 0.01 0.14 -0.17 0.00 -0.52 0.00 0.00 55.73 55.19 1hsa s ARG 3 Cb -0.08 0.03 -0.07 0.00 0.52 0.00 0.00 34.95 35.36 1hsa s ARG 3 CO 0.01 -0.02 0.58 -0.08 0.02 0.00 0.00 175.30 175.81 1hsa s THR 4 N 0.12 4.77 0.21 0.02 -1.32 -1.26 -1.71 115.64 116.47 1hsa s THR 4 Ca -0.01 1.03 -0.30 0.00 -1.21 0.00 0.00 61.69 61.20 1hsa s THR 4 Cb -0.01 -3.81 -0.09 0.00 -1.51 0.00 0.00 72.50 67.07 1hsa s THR 4 CO -0.00 0.35 1.40 -2.16 -2.21 0.00 0.00 174.62 171.99 1hsa s PRO 5 N -1.67 4.31 0.48 7.08 0.04 -1.26 -4.35 135.00 139.63 1hsa s PRO 5 Ca 0.36 2.19 -0.17 0.00 0.04 0.00 0.00 61.00 63.41 1hsa s PRO 5 Cb -0.17 -3.16 -0.09 0.00 0.04 0.00 0.00 34.50 31.12 1hsa s PRO 5 CO 0.19 -0.38 0.96 0.15 0.04 0.00 0.00 177.00 177.96 1hsa s LYS 6 N 0.04 4.02 -0.02 4.56 1.02 0.10 -4.90 119.74 124.56 1hsa s LYS 6 Ca 0.60 0.96 -0.00 0.00 0.02 0.00 0.00 55.97 57.55 1hsa s LYS 6 Cb -0.39 -2.17 0.02 0.00 -0.52 0.00 0.00 37.83 34.76 1hsa s LYS 6 CO 0.39 -0.18 0.03 0.42 -0.92 0.00 0.00 175.35 175.09 1hsa s ILE 7 N -2.47 -0.04 -0.04 2.17 1.01 -1.26 -2.15 121.20 118.42 1hsa s ILE 7 Ca 0.59 0.15 0.02 0.00 0.00 0.00 0.00 60.65 61.41 1hsa s ILE 7 Cb -0.10 -0.07 0.01 0.00 0.01 0.00 0.00 42.46 42.32 1hsa s ILE 7 CO 0.26 0.06 -0.08 -1.10 0.00 0.00 0.00 174.94 174.08 1hsa s GLN 8 N 0.73 1.09 -0.17 2.79 -0.21 -0.50 -4.99 119.66 118.40 1hsa s GLN 8 Ca -0.06 -0.26 -0.00 0.00 0.02 0.00 0.00 55.36 55.05 1hsa s GLN 8 Cb -0.09 -0.99 0.00 0.00 1.00 0.00 0.00 33.01 32.93 1hsa s GLN 8 CO -0.02 0.03 -0.14 0.08 -2.12 0.00 0.00 175.29 173.11 1hsa s VAL 9 N 0.54 2.63 0.13 1.09 1.01 -1.26 -1.01 120.40 123.53 1hsa s VAL 9 Ca -0.09 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 60.87 1hsa s VAL 9 Cb -0.12 -2.13 0.07 0.00 0.00 0.00 0.00 36.38 34.20 1hsa s VAL 9 CO 0.01 0.50 0.92 -0.72 0.00 0.00 0.00 175.10 175.82 1hsa s TYR 10 N 1.07 -0.19 0.31 5.22 1.13 -0.56 -4.53 117.35 119.79 1hsa s TYR 10 Ca -0.00 -0.08 0.08 0.00 -1.41 0.00 0.00 57.07 55.65 1hsa s TYR 10 Cb -0.14 0.62 -0.04 0.00 -1.10 0.00 0.00 41.96 41.30 1hsa s TYR 10 CO -0.04 -0.79 0.14 -1.54 -2.51 0.00 0.00 175.55 170.81 1hsa s SER 11 N -2.84 4.91 0.13 -0.18 1.04 -1.26 0.14 113.70 115.64 1hsa s SER 11 Ca 0.10 -0.60 -0.14 0.00 0.48 0.00 0.00 55.95 55.79 1hsa s SER 11 Cb -0.02 -0.92 -0.01 0.00 0.10 0.00 0.00 66.02 65.18 1hsa s SER 11 CO -0.00 -0.19 1.59 -0.09 0.98 0.00 0.00 173.24 175.52 1hsa h ARG 12 N 1.56 0.74 -5.97 4.02 2.43 -1.22 -3.46 114.38 112.48 1hsa h ARG 12 Ca -0.45 -0.23 -0.57 0.00 -0.81 0.00 0.00 59.98 57.93 1hsa h ARG 12 Cb 1.25 -0.07 -0.14 0.00 -0.42 0.00 0.00 29.97 30.59 1hsa h ARG 12 CO 0.61 0.81 -0.74 -1.01 -1.51 0.00 0.00 179.97 178.13 1hsa s HIS 13 N -5.05 2.15 0.01 2.20 3.76 -1.26 -5.01 115.29 112.09 1hsa s HIS 13 Ca -0.13 -0.44 -0.35 0.00 -0.15 0.00 0.00 55.06 53.99 1hsa s HIS 13 Cb 0.10 -1.02 -0.14 0.00 1.11 0.00 0.00 32.58 32.64 1hsa s HIS 13 CO 0.80 0.58 1.67 -2.30 -0.85 0.00 0.00 174.74 174.64 1hsa n PRO 14 N -0.59 1.89 -1.79 8.40 -0.02 -1.26 -4.85 135.00 136.78 1hsa n PRO 14 Ca -0.06 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 1hsa n PRO 14 Cb 0.61 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1hsa n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hsa s ALA 15 N 2.30 3.84 -0.17 3.55 0.00 -1.26 -4.99 121.76 125.03 1hsa s ALA 15 Ca 0.87 1.53 -0.04 0.00 0.00 0.00 0.00 51.96 54.32 1hsa s ALA 15 Cb -0.77 -3.66 0.06 0.00 0.00 0.00 0.00 23.12 18.74 1hsa s ALA 15 CO 0.47 -0.91 0.07 -2.00 0.00 0.00 0.00 175.76 173.40 1hsa s GLU 16 N 0.63 0.25 0.08 0.00 2.12 -1.26 -5.10 118.70 115.41 1hsa s GLU 16 Ca 0.70 -0.18 -0.36 0.00 0.36 0.00 0.00 54.97 55.49 1hsa s GLU 16 Cb -0.48 -1.89 -0.16 0.00 0.26 0.00 0.00 34.13 31.87 1hsa s GLU 16 CO 0.37 -0.65 1.43 0.09 -0.54 0.00 0.00 175.26 175.95 1hsa n ASN 17 N 5.21 2.06 0.00 -1.70 3.02 -1.26 -0.46 115.26 122.13 1hsa n ASN 17 Ca -0.08 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 1hsa n ASN 17 Cb 0.48 -1.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 1hsa n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hsa n GLY 18 N 2.85 2.52 3.59 7.41 0.00 0.37 -4.97 105.19 116.95 1hsa n GLY 18 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1hsa n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hsa s LYS 19 N -0.73 3.94 0.44 1.61 -0.14 0.39 -4.95 119.74 120.29 1hsa s LYS 19 Ca 0.00 -0.32 -0.22 0.00 -1.36 0.00 0.00 55.97 54.07 1hsa s LYS 19 Cb 0.00 -3.66 -0.12 0.00 -1.68 0.00 0.00 37.83 32.36 1hsa s LYS 19 CO 0.00 -0.19 0.49 0.45 -0.76 0.00 0.00 175.35 175.34 1hsa n SER 20 N 5.07 -1.13 -0.55 2.83 2.88 -1.26 -4.10 113.62 117.36 1hsa n SER 20 Ca -0.14 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 1hsa n SER 20 Cb 0.52 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1hsa n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1hsa n ASN 21 N 1.32 0.00 -4.01 -3.46 2.85 0.23 -4.94 115.26 107.25 1hsa n ASN 21 Ca 0.11 -0.55 -0.23 0.00 -0.11 0.00 0.00 54.58 53.81 1hsa n ASN 21 Cb 0.41 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.26 1hsa n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1hsa s PHE 22 N -4.98 1.21 -0.27 1.20 0.40 -1.26 -1.17 117.98 113.11 1hsa s PHE 22 Ca 0.00 -0.38 -0.17 0.00 -0.60 0.00 0.00 56.93 55.78 1hsa s PHE 22 Cb 0.00 -0.89 -0.03 0.00 0.51 0.00 0.00 43.02 42.61 1hsa s PHE 22 CO 0.00 -0.19 0.49 -1.17 0.70 0.00 0.00 175.22 175.05 1hsa s LEU 23 N 0.47 4.06 -0.09 -0.37 2.96 0.34 -0.57 118.68 125.47 1hsa s LEU 23 Ca -0.09 0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 54.27 1hsa s LEU 23 Cb -0.13 -2.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 1hsa s LEU 23 CO 0.02 -0.28 -0.02 0.20 -1.32 0.00 0.00 176.35 174.95 1hsa s ASN 24 N 1.57 5.01 -0.24 3.68 0.01 0.12 -2.01 114.94 123.07 1hsa s ASN 24 Ca 0.20 0.06 0.01 0.00 -0.71 0.00 0.00 52.86 52.42 1hsa s ASN 24 Cb -0.16 -1.44 0.06 0.00 0.41 0.00 0.00 41.25 40.13 1hsa s ASN 24 CO 0.09 0.34 -0.05 0.00 -1.51 0.00 0.00 177.10 175.97 1hsa s TYR 26 N 1.34 3.20 -0.10 0.00 5.04 -0.18 -1.28 117.35 125.37 1hsa s TYR 26 Ca -0.05 -0.02 0.01 0.00 -2.44 0.00 0.00 57.07 54.57 1hsa s TYR 26 Cb -0.19 -2.37 -0.02 0.00 0.35 0.00 0.00 41.96 39.73 1hsa s TYR 26 CO -0.07 -0.22 -0.12 0.14 -1.34 0.00 0.00 175.55 173.95 1hsa s VAL 27 N 1.73 3.20 0.16 3.14 -7.23 -0.13 -1.41 120.40 119.86 1hsa s VAL 27 Ca 0.07 -0.63 -0.10 0.00 -1.81 0.00 0.00 61.98 59.51 1hsa s VAL 27 Cb -0.16 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.45 1hsa s VAL 27 CO 0.10 0.55 0.30 -0.94 -0.31 0.00 0.00 175.10 174.79 1hsa s SER 28 N -0.06 0.02 -0.73 4.85 1.04 -0.91 -1.05 113.70 116.86 1hsa s SER 28 Ca -0.02 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1hsa s SER 28 Cb -0.14 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1hsa s SER 28 CO 0.04 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1hsa n GLY 29 N -0.22 0.90 3.90 7.32 0.00 -0.33 -0.72 105.19 116.04 1hsa n GLY 29 Ca -0.08 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 1hsa n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hsa s PHE 30 N -2.20 3.04 -0.29 1.61 -0.71 -1.20 -4.30 117.98 113.94 1hsa s PHE 30 Ca 0.00 -0.23 -0.16 0.00 -1.04 0.00 0.00 56.93 55.50 1hsa s PHE 30 Cb 0.00 -1.79 0.13 0.00 -1.21 0.00 0.00 43.02 40.15 1hsa s PHE 30 CO 0.00 0.19 0.91 -1.58 -1.34 0.00 0.00 175.22 173.40 1hsa s HIS 31 N -2.22 -0.68 1.38 3.49 2.46 -0.70 -0.37 115.29 118.65 1hsa s HIS 31 Ca 0.41 1.37 -0.23 0.00 0.47 0.00 0.00 55.06 57.07 1hsa s HIS 31 Cb -0.07 0.41 0.35 0.00 -0.13 0.00 0.00 32.58 33.14 1hsa s HIS 31 CO 0.28 -0.34 0.99 -1.25 -2.47 0.00 0.00 174.74 171.95 1hsa s PRO 32 N 1.39 -2.62 0.35 2.88 0.04 -1.26 -0.37 135.00 135.41 1hsa s PRO 32 Ca -0.09 -0.04 0.19 0.00 0.04 0.00 0.00 61.00 61.09 1hsa s PRO 32 Cb -0.04 -1.43 0.20 0.00 0.04 0.00 0.00 34.50 33.27 1hsa s PRO 32 CO -0.16 -4.63 1.52 0.66 0.04 0.00 0.00 177.00 174.43 1hsa h SER 33 N -3.24 0.00 -2.33 6.66 4.64 -1.99 -3.45 113.55 113.84 1hsa h SER 33 Ca -0.41 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.35 1hsa h SER 33 Cb 1.32 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.44 1hsa h SER 33 CO 0.26 0.28 1.13 -0.67 -0.87 0.00 0.00 176.83 176.96 1hsa n ASP 34 N -3.17 3.89 -3.63 4.97 2.03 -1.26 -4.94 116.55 114.44 1hsa n ASP 34 Ca 0.03 0.96 -0.13 0.00 0.52 0.00 0.00 54.79 56.17 1hsa n ASP 34 Cb 0.64 -1.49 -0.06 0.00 -0.72 0.00 0.00 41.12 39.49 1hsa n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1hsa s ILE 35 N 3.44 0.05 -0.12 5.18 2.07 -1.26 -4.68 121.20 125.89 1hsa s ILE 35 Ca 0.86 -0.41 0.02 0.00 -1.41 0.00 0.00 60.65 59.71 1hsa s ILE 35 Cb -0.53 -0.98 0.01 0.00 0.13 0.00 0.00 42.46 41.10 1hsa s ILE 35 CO 0.42 -0.22 -0.16 -0.70 -1.91 0.00 0.00 174.94 172.36 1hsa s GLU 36 N -2.61 2.34 -0.05 3.50 2.12 -0.37 -4.99 118.70 118.64 1hsa s GLU 36 Ca -0.04 -0.60 0.03 0.00 0.36 0.00 0.00 54.97 54.71 1hsa s GLU 36 Cb -0.01 -1.98 0.01 0.00 0.26 0.00 0.00 34.13 32.41 1hsa s GLU 36 CO -0.03 -0.07 -0.13 0.08 -0.54 0.00 0.00 175.26 174.57 1hsa s VAL 37 N 0.99 1.18 0.06 3.70 1.01 -1.26 -0.85 120.40 125.23 1hsa s VAL 37 Ca -0.06 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.44 1hsa s VAL 37 Cb -0.15 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1hsa s VAL 37 CO -0.02 0.36 -0.18 -1.81 0.00 0.00 0.00 175.10 173.44 1hsa s ASP 38 N 0.35 2.21 -0.24 3.32 1.01 -0.45 -4.98 116.67 117.88 1hsa s ASP 38 Ca -0.09 -0.56 -0.08 0.00 0.71 0.00 0.00 52.55 52.53 1hsa s ASP 38 Cb -0.13 -0.14 -0.04 0.00 1.01 0.00 0.00 42.92 43.62 1hsa s ASP 38 CO 0.03 0.07 0.10 -0.76 0.21 0.00 0.00 175.17 174.82 1hsa s LEU 39 N -1.44 3.69 -0.13 1.23 1.43 -1.26 -0.74 118.68 121.45 1hsa s LEU 39 Ca 0.05 -0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1hsa s LEU 39 Cb -0.09 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1hsa s LEU 39 CO 0.02 0.01 0.04 -0.76 0.23 0.00 0.00 176.35 175.89 1hsa s LEU 40 N 1.37 3.74 -0.25 1.79 1.43 0.41 -0.05 118.68 127.12 1hsa s LEU 40 Ca 0.06 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1hsa s LEU 40 Cb -0.15 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.21 1hsa s LEU 40 CO 0.05 0.30 -0.10 -0.75 0.23 0.00 0.00 176.35 176.08 1hsa s LYS 41 N -0.37 2.62 -1.41 1.70 2.20 0.89 -1.02 119.74 124.34 1hsa s LYS 41 Ca 0.08 -1.11 -0.09 0.00 -0.36 0.00 0.00 55.97 54.50 1hsa s LYS 41 Cb -0.12 -2.90 0.04 0.00 -1.51 0.00 0.00 37.83 33.34 1hsa s LYS 41 CO 0.02 -0.45 0.99 0.09 -0.36 0.00 0.00 175.35 175.64 1hsa n ASN 42 N 4.57 -4.28 0.00 1.43 3.02 0.09 -1.12 115.26 118.97 1hsa n ASN 42 Ca -0.16 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 1hsa n ASN 42 Cb 0.45 -4.35 0.00 0.00 -0.61 0.00 0.00 39.78 35.27 1hsa n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hsa n GLY 43 N -1.71 2.40 3.80 7.41 0.00 -1.26 -5.00 105.19 110.83 1hsa n GLY 43 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1hsa n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hsa s GLU 44 N -0.21 3.22 -0.16 1.61 2.02 -0.28 -4.99 118.70 119.92 1hsa s GLU 44 Ca 0.00 -0.29 -0.29 0.00 0.02 0.00 0.00 54.97 54.41 1hsa s GLU 44 Cb 0.00 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 1hsa s GLU 44 CO 0.00 0.73 1.75 0.50 0.02 0.00 0.00 175.26 178.26 1hsa s ARG 45 N -1.16 3.82 -0.05 1.61 3.52 -1.26 -0.08 118.95 125.35 1hsa s ARG 45 Ca 0.17 1.93 -0.30 0.00 -0.13 0.00 0.00 55.73 57.39 1hsa s ARG 45 Cb -0.12 -4.09 -0.05 0.00 -1.56 0.00 0.00 34.95 29.14 1hsa s ARG 45 CO 0.06 -1.28 1.43 0.42 -0.81 0.00 0.00 175.30 175.12 1hsa s ILE 46 N 5.33 3.81 0.07 4.11 1.01 0.93 -4.91 121.20 131.55 1hsa s ILE 46 Ca 0.78 1.10 -0.15 0.00 0.00 0.00 0.00 60.65 62.38 1hsa s ILE 46 Cb -0.30 -3.71 -0.20 0.00 0.01 0.00 0.00 42.46 38.27 1hsa s ILE 46 CO 0.32 -0.05 1.23 -0.33 0.00 0.00 0.00 174.94 176.11 1hsa h GLU 47 N 8.35 0.69 -3.94 2.79 4.39 -1.93 -3.40 114.58 121.52 1hsa h GLU 47 Ca -0.36 -0.65 -0.78 0.00 0.34 0.00 0.00 59.36 57.92 1hsa h GLU 47 Cb 1.16 0.16 -0.25 0.00 -0.10 0.00 0.00 28.75 29.72 1hsa h GLU 47 CO 0.93 1.25 -0.05 0.15 -1.16 0.00 0.00 179.01 180.13 1hsa s LYS 48 N -3.51 3.32 -0.06 2.33 1.02 -1.26 -4.99 119.74 116.60 1hsa s LYS 48 Ca -0.11 -2.15 0.04 0.00 0.02 0.00 0.00 55.97 53.77 1hsa s LYS 48 Cb 0.07 -4.36 0.00 0.00 -0.52 0.00 0.00 37.83 33.02 1hsa s LYS 48 CO 0.89 -1.30 -0.17 0.08 -0.92 0.00 0.00 175.35 173.93 1hsa s VAL 49 N 0.76 1.46 0.12 3.17 1.01 -1.26 -4.78 120.40 120.88 1hsa s VAL 49 Ca 0.12 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1hsa s VAL 49 Cb -0.19 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1hsa s VAL 49 CO -0.04 0.42 0.19 -1.61 0.00 0.00 0.00 175.10 174.06 1hsa s GLU 50 N 0.21 3.17 0.03 2.72 2.02 0.10 -4.91 118.70 122.04 1hsa s GLU 50 Ca -0.08 -0.66 -0.01 0.00 0.02 0.00 0.00 54.97 54.24 1hsa s GLU 50 Cb -0.13 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.23 1hsa s GLU 50 CO 0.03 0.54 -0.01 -3.38 0.02 0.00 0.00 175.26 172.46 1hsa s HIS 51 N -1.63 0.34 1.16 1.61 -3.43 -1.26 -0.17 115.29 111.92 1hsa s HIS 51 Ca 0.33 -0.72 -0.20 0.00 -0.80 0.00 0.00 55.06 53.67 1hsa s HIS 51 Cb -0.11 -0.25 0.28 0.00 -1.43 0.00 0.00 32.58 31.07 1hsa s HIS 51 CO 0.26 -0.29 1.13 -1.13 -2.00 0.00 0.00 174.74 172.71 1hsa n SER 52 N 0.94 -1.60 -4.87 7.38 3.41 -0.05 -4.99 113.62 113.85 1hsa n SER 52 Ca -0.20 -1.23 -0.35 0.00 -0.26 0.00 0.00 58.87 56.83 1hsa n SER 52 Cb 0.58 -1.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.48 1hsa n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1hsa s ASP 53 N -4.73 6.62 -0.19 4.04 1.01 -1.26 -4.85 116.67 117.32 1hsa s ASP 53 Ca 0.71 0.75 -0.39 0.00 0.71 0.00 0.00 52.55 54.34 1hsa s ASP 53 Cb -0.06 -2.17 -0.15 0.00 1.01 0.00 0.00 42.92 41.56 1hsa s ASP 53 CO 0.53 0.22 1.72 -0.11 0.21 0.00 0.00 175.17 177.74 1hsa n LEU 54 N 1.13 2.50 -4.40 1.23 7.94 -1.26 -4.94 117.00 119.21 1hsa n LEU 54 Ca -0.10 1.06 -0.22 0.00 -1.11 0.00 0.00 56.01 55.65 1hsa n LEU 54 Cb 0.52 -1.19 -0.09 0.00 0.53 0.00 0.00 43.42 43.19 1hsa n LEU 54 CO 0.41 -0.43 -0.18 -0.55 -1.11 0.00 0.00 177.39 175.52 1hsa s SER 55 N 3.20 2.07 0.16 1.96 0.15 -1.20 -5.04 113.70 115.00 1hsa s SER 55 Ca 0.95 -1.64 -0.12 0.00 0.70 0.00 0.00 55.95 55.85 1hsa s SER 55 Cb -0.98 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 63.79 1hsa s SER 55 CO 0.60 -0.93 0.35 0.72 1.20 0.00 0.00 173.24 175.18 1hsa s PHE 56 N -3.41 0.19 0.59 3.44 -0.12 -1.26 -1.53 117.98 115.87 1hsa s PHE 56 Ca 0.32 -0.55 0.01 0.00 -0.05 0.00 0.00 56.93 56.66 1hsa s PHE 56 Cb 0.04 0.10 0.12 0.00 -0.63 0.00 0.00 43.02 42.64 1hsa s PHE 56 CO 0.18 -0.76 0.81 0.43 -0.05 0.00 0.00 175.22 175.83 1hsa n SER 57 N -0.24 1.17 0.28 1.98 7.64 -0.57 -4.92 113.62 118.96 1hsa n SER 57 Ca -0.09 -1.97 0.12 0.00 1.01 0.00 0.00 58.87 57.94 1hsa n SER 57 Cb 0.63 -0.51 0.79 0.00 -1.01 0.00 0.00 64.21 64.10 1hsa n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1hsa h LYS 58 N 0.00 0.00 -0.60 1.43 1.57 -2.03 -0.18 116.57 116.76 1hsa h LYS 58 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1hsa h LYS 58 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1hsa h LYS 58 CO 0.29 0.01 0.00 -0.40 -0.57 0.00 0.00 179.45 178.79 1hsa n ASP 59 N -4.11 3.20 0.00 0.86 5.75 -1.26 -4.91 116.55 116.09 1hsa n ASP 59 Ca -0.03 -2.28 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 1hsa n ASP 59 Cb 0.10 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 1hsa n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1hsa n TRP 60 N 0.64 0.00 -2.44 2.11 7.02 -0.08 -5.01 117.44 119.67 1hsa n TRP 60 Ca 0.16 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.33 1hsa n TRP 60 Cb 0.61 -0.33 -0.03 0.00 -2.42 0.00 0.00 31.31 29.14 1hsa n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1hsa s SER 61 N -2.86 6.59 0.50 -0.99 1.04 -1.26 -4.68 113.70 112.04 1hsa s SER 61 Ca 0.00 1.49 -0.10 0.00 0.48 0.00 0.00 55.95 57.82 1hsa s SER 61 Cb 0.00 -2.48 -0.05 0.00 0.10 0.00 0.00 66.02 63.59 1hsa s SER 61 CO 0.00 -0.57 0.87 -0.36 0.98 0.00 0.00 173.24 174.16 1hsa s PHE 62 N -2.61 3.54 0.00 5.02 0.08 0.50 -1.50 117.98 123.00 1hsa s PHE 62 Ca 0.57 1.09 -0.06 0.00 0.12 0.00 0.00 56.93 58.65 1hsa s PHE 62 Cb -0.10 -2.52 0.00 0.00 -0.57 0.00 0.00 43.02 39.83 1hsa s PHE 62 CO 0.32 -0.34 0.12 1.52 -0.10 0.00 0.00 175.22 176.75 1hsa s TYR 63 N -2.72 0.05 -0.12 0.36 -0.85 -0.58 -1.19 117.35 112.30 1hsa s TYR 63 Ca 0.52 -0.14 -0.08 0.00 -0.52 0.00 0.00 57.07 56.85 1hsa s TYR 63 Cb -0.10 -0.05 0.04 0.00 0.38 0.00 0.00 41.96 42.22 1hsa s TYR 63 CO 0.41 -0.27 0.30 -0.51 -1.52 0.00 0.00 175.55 173.97 1hsa s LEU 64 N -1.30 0.46 -0.18 -3.49 1.43 -0.21 -3.25 118.68 112.14 1hsa s LEU 64 Ca -0.14 0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 53.51 1hsa s LEU 64 Cb -0.07 0.97 -0.04 0.00 0.03 0.00 0.00 46.19 47.08 1hsa s LEU 64 CO 0.01 -0.15 0.08 -0.22 0.23 0.00 0.00 176.35 176.30 1hsa s LEU 65 N 0.90 3.92 -0.04 1.79 2.96 -1.26 -0.96 118.68 125.98 1hsa s LEU 65 Ca -0.06 0.13 0.05 0.00 -0.22 0.00 0.00 54.13 54.02 1hsa s LEU 65 Cb -0.07 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 1hsa s LEU 65 CO -0.06 0.18 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.67 1hsa s TYR 66 N 0.32 2.60 0.22 5.38 1.51 -0.41 -0.87 117.35 126.11 1hsa s TYR 66 Ca 0.05 -0.23 -0.19 0.00 -1.01 0.00 0.00 57.07 55.68 1hsa s TYR 66 Cb -0.12 -1.59 0.03 0.00 -0.11 0.00 0.00 41.96 40.16 1hsa s TYR 66 CO -0.00 0.13 0.58 1.52 -1.11 0.00 0.00 175.55 176.67 1hsa s TYR 67 N -0.70 -0.15 0.15 2.71 1.13 0.76 -0.18 117.35 121.07 1hsa s TYR 67 Ca 0.11 -0.20 -0.23 0.00 -1.41 0.00 0.00 57.07 55.34 1hsa s TYR 67 Cb -0.10 0.48 0.07 0.00 -1.10 0.00 0.00 41.96 41.31 1hsa s TYR 67 CO 0.00 -1.00 0.59 -0.08 -2.51 0.00 0.00 175.55 172.54 1hsa s THR 68 N -3.88 0.01 0.10 -3.49 -1.32 -0.85 -0.72 115.64 105.49 1hsa s THR 68 Ca 0.10 -0.05 -0.22 0.00 -1.21 0.00 0.00 61.69 60.31 1hsa s THR 68 Cb -0.02 -1.01 -0.07 0.00 -1.51 0.00 0.00 72.50 69.88 1hsa s THR 68 CO -0.00 -0.03 0.65 -0.70 -2.21 0.00 0.00 174.62 172.33 1hsa s GLU 69 N -3.67 4.35 0.13 7.08 2.12 -1.26 -0.50 118.70 126.95 1hsa s GLU 69 Ca 0.01 0.90 -0.10 0.00 0.36 0.00 0.00 54.97 56.14 1hsa s GLU 69 Cb -0.01 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.13 1hsa s GLU 69 CO -0.12 0.59 0.28 -0.59 -0.54 0.00 0.00 175.26 174.88 1hsa s PHE 70 N -1.06 0.21 -0.40 5.30 -0.71 -0.32 -4.81 117.98 116.19 1hsa s PHE 70 Ca 0.32 -0.59 0.04 0.00 -1.04 0.00 0.00 56.93 55.65 1hsa s PHE 70 Cb -0.21 0.01 0.11 0.00 -1.21 0.00 0.00 43.02 41.72 1hsa s PHE 70 CO 0.22 -0.67 0.13 0.99 -1.34 0.00 0.00 175.22 174.55 1hsa s THR 71 N -3.91 2.27 0.52 -4.49 2.01 -1.26 0.77 115.64 111.55 1hsa s THR 71 Ca 0.11 -2.64 -0.22 0.00 0.31 0.00 0.00 61.69 59.25 1hsa s THR 71 Cb 0.03 -2.64 -0.06 0.00 0.01 0.00 0.00 72.50 69.84 1hsa s THR 71 CO -0.05 -0.69 1.19 -0.81 -0.69 0.00 0.00 174.62 173.57 1hsa n PRO 72 N 3.86 1.46 -4.53 4.92 -0.04 -1.26 -4.67 135.00 134.75 1hsa n PRO 72 Ca 0.04 0.54 -0.26 0.00 -0.04 0.00 0.00 63.50 63.78 1hsa n PRO 72 Cb 0.38 -2.36 -0.08 0.00 -0.04 0.00 0.00 33.50 31.40 1hsa n PRO 72 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1hsa s THR 73 N -1.33 0.72 0.23 0.52 -4.23 -1.26 -0.48 115.64 109.81 1hsa s THR 73 Ca 0.70 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1hsa s THR 73 Cb -0.45 -2.38 -0.01 0.00 1.34 0.00 0.00 72.50 71.00 1hsa s THR 73 CO 0.51 0.00 1.59 -0.08 -0.54 0.00 0.00 174.62 176.10 1hsa h GLU 74 N 1.78 0.49 0.01 3.99 4.81 -1.97 -3.37 114.58 120.33 1hsa h GLU 74 Ca -0.37 -0.26 -0.13 0.00 -0.13 0.00 0.00 59.36 58.47 1hsa h GLU 74 Cb 1.27 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 1hsa h GLU 74 CO 0.60 0.84 -0.70 1.57 -0.73 0.00 0.00 179.01 180.58 1hsa h LYS 75 N 0.40 0.02 -6.67 1.92 2.10 -2.01 -3.47 116.57 108.86 1hsa h LYS 75 Ca 0.03 -0.04 -0.53 0.00 -2.00 0.00 0.00 60.65 58.11 1hsa h LYS 75 Cb 0.93 0.02 0.05 0.00 -0.90 0.00 0.00 32.23 32.33 1hsa h LYS 75 CO 0.08 1.02 0.86 -0.51 -2.00 0.00 0.00 179.45 178.90 1hsa s ASP 76 N -6.59 6.56 -0.22 7.07 1.01 -1.26 -4.98 116.67 118.26 1hsa s ASP 76 Ca -0.23 2.70 -0.13 0.00 0.71 0.00 0.00 52.55 55.59 1hsa s ASP 76 Cb 0.02 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 1hsa s ASP 76 CO 0.65 -0.82 0.27 -1.61 0.21 0.00 0.00 175.17 173.87 1hsa s GLU 77 N 0.52 4.13 0.07 8.23 2.02 -1.26 -4.75 118.70 127.66 1hsa s GLU 77 Ca 0.67 -0.04 0.08 0.00 0.02 0.00 0.00 54.97 55.69 1hsa s GLU 77 Cb -0.44 -3.52 -0.03 0.00 0.10 0.00 0.00 34.13 30.23 1hsa s GLU 77 CO 0.37 0.04 -0.19 0.71 0.02 0.00 0.00 175.26 176.21 1hsa s TYR 78 N 1.09 2.52 0.22 1.61 2.02 -1.26 -0.73 117.35 122.82 1hsa s TYR 78 Ca 0.13 -0.27 -0.15 0.00 -0.37 0.00 0.00 57.07 56.40 1hsa s TYR 78 Cb -0.14 -1.42 0.01 0.00 -0.40 0.00 0.00 41.96 40.02 1hsa s TYR 78 CO 0.06 0.28 0.50 0.00 -1.57 0.00 0.00 175.55 174.82 1hsa s ALA 79 N -0.98 -0.61 -0.05 3.71 0.00 -0.19 0.09 121.76 123.73 1hsa s ALA 79 Ca 0.15 -0.55 0.06 0.00 0.00 0.00 0.00 51.96 51.63 1hsa s ALA 79 Cb -0.10 0.93 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 1hsa s ALA 79 CO 0.06 -0.83 -0.25 0.00 0.00 0.00 0.00 175.76 174.74 1hsa s ARG 81 N -0.24 2.97 -0.09 0.00 3.52 0.08 -0.90 118.95 124.28 1hsa s ARG 81 Ca -0.01 -0.84 0.03 0.00 -0.13 0.00 0.00 55.73 54.78 1hsa s ARG 81 Cb -0.13 -2.37 0.00 0.00 -1.56 0.00 0.00 34.95 30.90 1hsa s ARG 81 CO 0.03 0.02 -0.21 0.08 -0.81 0.00 0.00 175.30 174.41 1hsa s VAL 82 N 0.73 1.83 -0.06 7.11 1.01 0.05 -1.34 120.40 129.73 1hsa s VAL 82 Ca -0.09 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.06 1hsa s VAL 82 Cb -0.16 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 1hsa s VAL 82 CO 0.00 0.51 -0.23 0.21 0.00 0.00 0.00 175.10 175.59 1hsa s ASN 83 N 0.45 3.25 0.01 3.32 3.04 -0.03 -0.84 114.94 124.13 1hsa s ASN 83 Ca -0.17 -0.45 -0.22 0.00 0.04 0.00 0.00 52.86 52.06 1hsa s ASN 83 Cb -0.17 -0.82 0.05 0.00 -1.54 0.00 0.00 41.25 38.76 1hsa s ASN 83 CO 0.07 0.26 0.48 -2.28 -3.04 0.00 0.00 177.10 172.60 1hsa s HIS 84 N -0.26 -0.39 0.64 0.43 2.46 -1.26 -1.23 115.29 115.67 1hsa s HIS 84 Ca -0.00 0.53 0.30 0.00 0.47 0.00 0.00 55.06 56.36 1hsa s HIS 84 Cb -0.13 0.27 1.64 0.00 -0.13 0.00 0.00 32.58 34.23 1hsa s HIS 84 CO 0.03 -0.56 1.96 -0.24 -2.47 0.00 0.00 174.74 173.46 1hsa h VAL 85 N 3.15 0.16 -0.00 0.89 3.04 -1.95 0.39 116.25 121.92 1hsa h VAL 85 Ca -0.30 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1hsa h VAL 85 Cb 1.18 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 1hsa h VAL 85 CO 0.41 0.00 -0.12 0.35 -1.01 0.00 0.00 177.57 177.20 1hsa n THR 86 N -3.23 0.00 -3.92 3.17 -2.24 -1.26 -4.79 114.28 102.01 1hsa n THR 86 Ca 0.01 -0.02 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 1hsa n THR 86 Cb 0.43 -0.22 -0.13 0.00 -2.10 0.00 0.00 70.33 68.31 1hsa n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1hsa s LEU 87 N -2.71 3.19 0.52 3.22 1.43 0.12 -4.97 118.68 119.49 1hsa s LEU 87 Ca 0.22 -0.27 0.34 0.00 -1.03 0.00 0.00 54.13 53.40 1hsa s LEU 87 Cb 0.19 -1.83 1.57 0.00 0.03 0.00 0.00 46.19 46.16 1hsa s LEU 87 CO 0.52 0.01 2.02 0.77 0.23 0.00 0.00 176.35 179.90 1hsa h SER 88 N 7.93 0.00 -5.06 2.29 4.64 -1.86 -3.43 113.55 118.05 1hsa h SER 88 Ca -0.38 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.84 1hsa h SER 88 Cb 1.17 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.09 1hsa h SER 88 CO 0.60 0.00 -0.24 0.00 -0.87 0.00 0.00 176.83 176.31 1hsa s GLN 89 N -3.73 0.82 0.41 4.77 -2.07 -1.26 -5.15 119.66 113.45 1hsa s GLN 89 Ca -0.00 -0.51 -0.26 0.00 -1.82 0.00 0.00 55.36 52.77 1hsa s GLN 89 Cb 0.10 0.35 -0.10 0.00 -1.09 0.00 0.00 33.01 32.27 1hsa s GLN 89 CO 0.47 -0.26 1.24 -0.35 -1.32 0.00 0.00 175.29 175.06 1hsa n PRO 90 N 0.55 1.88 -3.41 9.60 -0.04 -1.26 -4.94 135.00 137.38 1hsa n PRO 90 Ca -0.18 0.67 -0.39 0.00 -0.04 0.00 0.00 63.50 63.56 1hsa n PRO 90 Cb 0.60 -2.33 -0.09 0.00 -0.04 0.00 0.00 33.50 31.64 1hsa n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1hsa s LYS 91 N -2.14 4.05 -0.28 0.54 2.20 -0.02 -4.87 119.74 119.22 1hsa s LYS 91 Ca 0.60 0.05 -0.09 0.00 -0.36 0.00 0.00 55.97 56.18 1hsa s LYS 91 Cb -0.52 -3.62 -0.03 0.00 -1.51 0.00 0.00 37.83 32.15 1hsa s LYS 91 CO 0.58 -0.20 0.13 0.42 -0.36 0.00 0.00 175.35 175.92 1hsa s ILE 92 N 1.84 4.66 -0.18 5.43 1.01 -1.26 -0.77 121.20 131.92 1hsa s ILE 92 Ca 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.60 1hsa s ILE 92 Cb -0.15 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 1hsa s ILE 92 CO 0.09 0.22 -0.06 -0.69 0.00 0.00 0.00 174.94 174.50 1hsa s VAL 93 N 1.65 3.45 0.25 2.92 1.01 -0.08 -4.95 120.40 124.65 1hsa s VAL 93 Ca 0.06 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.27 1hsa s VAL 93 Cb -0.16 -2.52 -0.09 0.00 0.00 0.00 0.00 36.38 33.61 1hsa s VAL 93 CO 0.06 0.47 0.91 -0.54 0.00 0.00 0.00 175.10 176.00 1hsa s LYS 94 N 0.89 4.72 0.05 2.72 1.02 -1.26 -0.67 119.74 127.21 1hsa s LYS 94 Ca -0.01 1.38 -0.31 0.00 0.02 0.00 0.00 55.97 57.05 1hsa s LYS 94 Cb -0.15 -3.13 -0.06 0.00 -0.52 0.00 0.00 37.83 33.97 1hsa s LYS 94 CO 0.01 0.46 1.38 -0.46 -0.92 0.00 0.00 175.35 175.82 1hsa s TRP 95 N -1.31 3.04 -0.19 3.18 -0.00 0.11 -4.89 118.94 118.87 1hsa s TRP 95 Ca 0.43 0.90 -0.01 0.00 -0.00 0.00 0.00 56.10 57.42 1hsa s TRP 95 Cb -0.23 -3.66 0.01 0.00 -0.00 0.00 0.00 33.47 29.59 1hsa s TRP 95 CO 0.29 -2.35 -0.14 0.34 -0.00 0.00 0.00 176.95 175.08 1hsa s ASP 96 N 1.54 3.60 0.16 5.86 -1.08 -1.26 -4.75 116.67 120.74 1hsa s ASP 96 Ca 0.64 -0.54 0.13 0.00 -0.52 0.00 0.00 52.55 52.26 1hsa s ASP 96 Cb -0.33 -1.58 0.67 0.00 -1.46 0.00 0.00 42.92 40.22 1hsa s ASP 96 CO 0.28 -0.00 1.41 -2.11 0.52 0.00 0.00 175.17 175.27 1hsa n ARG 97 N 4.66 0.08 -0.11 4.34 1.85 -1.26 -1.46 116.66 124.76 1hsa n ARG 97 Ca -0.20 0.51 0.09 0.00 -1.00 0.00 0.00 57.85 57.25 1hsa n ARG 97 Cb 0.50 -1.73 0.30 0.00 -1.05 0.00 0.00 32.46 30.48 1hsa n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1hsa n ASP 98 N -1.90 1.73 0.00 2.89 8.00 -1.26 -4.80 116.55 121.20 1hsa n ASP 98 Ca 0.00 -1.80 0.00 0.00 0.71 0.00 0.00 54.79 53.70 1hsa n ASP 98 Cb 0.07 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1hsa n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04