#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kpr s GLN 2 N 0.00 1.51 -0.10 6.28 -0.21 -1.26 -4.48 119.66 121.40 3kpr s GLN 2 Ca 0.00 -0.28 0.01 0.00 0.02 0.00 0.00 55.36 55.11 3kpr s GLN 2 Cb 0.00 -1.47 0.02 0.00 1.00 0.00 0.00 33.01 32.56 3kpr s GLN 2 CO 0.00 -0.17 -0.12 1.03 -2.12 0.00 0.00 175.29 173.91 3kpr s ARG 3 N 1.35 1.90 0.17 2.91 0.52 -0.26 -4.93 118.95 120.61 3kpr s ARG 3 Ca -0.02 -0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 54.45 3kpr s ARG 3 Cb -0.14 -1.70 -0.08 0.00 0.52 0.00 0.00 34.95 33.55 3kpr s ARG 3 CO -0.04 -0.12 1.27 -0.08 0.02 0.00 0.00 175.30 176.35 3kpr s THR 4 N 1.17 3.44 0.25 0.02 -1.32 -1.26 -1.92 115.64 116.02 3kpr s THR 4 Ca -0.04 1.15 -0.30 0.00 -1.21 0.00 0.00 61.69 61.30 3kpr s THR 4 Cb -0.14 -3.74 -0.09 0.00 -1.51 0.00 0.00 72.50 67.02 3kpr s THR 4 CO -0.03 0.16 1.17 -2.16 -2.21 0.00 0.00 174.62 171.54 3kpr s PRO 5 N 0.14 4.54 0.17 7.08 0.04 -1.26 -4.46 135.00 141.24 3kpr s PRO 5 Ca 0.57 1.89 -0.22 0.00 0.04 0.00 0.00 61.00 63.28 3kpr s PRO 5 Cb -0.34 -3.20 -0.08 0.00 0.04 0.00 0.00 34.50 30.92 3kpr s PRO 5 CO 0.36 0.03 0.71 0.15 0.04 0.00 0.00 177.00 178.29 3kpr s LYS 6 N -0.96 4.36 -0.04 4.56 1.02 0.41 -4.93 119.74 124.16 3kpr s LYS 6 Ca 0.49 0.95 0.04 0.00 0.02 0.00 0.00 55.97 57.47 3kpr s LYS 6 Cb -0.33 -3.10 -0.00 0.00 -0.52 0.00 0.00 37.83 33.88 3kpr s LYS 6 CO 0.41 0.51 -0.16 0.42 -0.92 0.00 0.00 175.35 175.61 3kpr s ILE 7 N -1.30 1.33 -0.07 2.17 1.01 -1.26 -1.83 121.20 121.25 3kpr s ILE 7 Ca 0.37 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 3kpr s ILE 7 Cb -0.20 -1.14 0.03 0.00 0.01 0.00 0.00 42.46 41.16 3kpr s ILE 7 CO 0.23 0.39 -0.00 -1.10 0.00 0.00 0.00 174.94 174.45 3kpr s GLN 8 N 0.01 0.64 -0.23 2.79 -0.21 -0.70 -5.00 119.66 116.97 3kpr s GLN 8 Ca -0.03 0.08 -0.07 0.00 0.02 0.00 0.00 55.36 55.36 3kpr s GLN 8 Cb -0.11 -0.96 -0.03 0.00 1.00 0.00 0.00 33.01 32.91 3kpr s GLN 8 CO 0.02 -0.28 0.06 0.08 -2.12 0.00 0.00 175.29 173.05 3kpr s VAL 9 N 1.84 4.42 0.24 1.09 1.01 -1.26 -0.92 120.40 126.82 3kpr s VAL 9 Ca 0.03 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.66 3kpr s VAL 9 Cb -0.12 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.25 3kpr s VAL 9 CO -0.05 0.38 0.67 -0.72 0.00 0.00 0.00 175.10 175.38 3kpr s TYR 10 N 1.21 -0.24 0.08 5.22 1.13 -0.79 -4.55 117.35 119.41 3kpr s TYR 10 Ca 0.04 -0.15 0.03 0.00 -1.41 0.00 0.00 57.07 55.58 3kpr s TYR 10 Cb -0.14 0.63 -0.04 0.00 -1.10 0.00 0.00 41.96 41.30 3kpr s TYR 10 CO 0.03 -1.12 0.08 -1.54 -2.51 0.00 0.00 175.55 170.50 3kpr s SER 11 N -2.88 5.55 0.18 -0.18 1.04 -1.26 -0.62 113.70 115.53 3kpr s SER 11 Ca 0.09 -0.00 -0.14 0.00 0.48 0.00 0.00 55.95 56.38 3kpr s SER 11 Cb -0.04 -1.50 0.08 0.00 0.10 0.00 0.00 66.02 64.66 3kpr s SER 11 CO 0.02 0.17 1.84 -0.09 0.98 0.00 0.00 173.24 176.16 3kpr h ARG 12 N 3.29 0.73 -6.57 4.02 2.43 -1.79 -3.44 114.38 113.06 3kpr h ARG 12 Ca -0.47 -0.04 -0.65 0.00 -0.81 0.00 0.00 59.98 58.01 3kpr h ARG 12 Cb 1.16 -0.16 -0.17 0.00 -0.42 0.00 0.00 29.97 30.38 3kpr h ARG 12 CO 0.66 0.49 -0.78 -1.01 -1.51 0.00 0.00 179.97 177.82 3kpr s HIS 13 N -6.15 2.46 0.15 2.20 3.76 -1.26 -5.06 115.29 111.39 3kpr s HIS 13 Ca -0.13 -0.29 -0.34 0.00 -0.15 0.00 0.00 55.06 54.15 3kpr s HIS 13 Cb 0.13 -1.23 -0.16 0.00 1.11 0.00 0.00 32.58 32.43 3kpr s HIS 13 CO 0.75 0.49 1.31 -2.30 -0.85 0.00 0.00 174.74 174.14 3kpr n PRO 14 N 0.25 1.39 -1.97 8.40 -0.02 -1.26 -4.86 135.00 136.93 3kpr n PRO 14 Ca -0.12 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 3kpr n PRO 14 Cb 0.55 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 3kpr n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kpr s ALA 15 N 0.22 3.71 -0.03 3.55 0.00 -1.26 -5.02 121.76 122.93 3kpr s ALA 15 Ca 0.77 1.34 -0.01 0.00 0.00 0.00 0.00 51.96 54.06 3kpr s ALA 15 Cb -0.84 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 18.71 3kpr s ALA 15 CO 0.48 -0.76 0.05 -2.00 0.00 0.00 0.00 175.76 173.53 3kpr s GLU 16 N 0.61 -0.06 -0.07 0.00 2.12 -1.26 -5.12 118.70 114.92 3kpr s GLU 16 Ca 0.66 0.31 -0.29 0.00 0.36 0.00 0.00 54.97 56.01 3kpr s GLU 16 Cb -0.43 -0.40 -0.07 0.00 0.26 0.00 0.00 34.13 33.49 3kpr s GLU 16 CO 0.35 -0.26 2.08 -0.80 -0.54 0.00 0.00 175.26 176.09 3kpr s ASN 17 N 1.73 6.02 0.00 -1.70 -0.87 -1.26 -2.45 114.94 116.42 3kpr s ASN 17 Ca -0.01 2.34 0.00 0.00 -1.57 0.00 0.00 52.86 53.63 3kpr s ASN 17 Cb -0.12 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.58 3kpr s ASN 17 CO -0.03 -1.45 0.00 0.61 -2.57 0.00 0.00 177.10 173.66 3kpr n GLY 18 N 5.07 2.41 3.80 0.66 0.00 0.00 -4.98 105.19 112.15 3kpr n GLY 18 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 3kpr n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kpr s LYS 19 N -0.22 4.37 0.52 1.61 2.20 -1.02 -4.93 119.74 122.26 3kpr s LYS 19 Ca 0.00 0.95 -0.22 0.00 -0.36 0.00 0.00 55.97 56.34 3kpr s LYS 19 Cb 0.00 -3.13 -0.06 0.00 -1.51 0.00 0.00 37.83 33.13 3kpr s LYS 19 CO 0.00 0.53 1.31 0.45 -0.36 0.00 0.00 175.35 177.29 3kpr s SER 20 N -1.30 5.52 0.34 1.43 0.15 -1.26 -4.26 113.70 114.31 3kpr s SER 20 Ca 0.36 2.66 -0.18 0.00 0.70 0.00 0.00 55.95 59.49 3kpr s SER 20 Cb -0.20 -2.63 0.05 0.00 -1.71 0.00 0.00 66.02 61.53 3kpr s SER 20 CO 0.23 -1.39 0.82 0.21 1.20 0.00 0.00 173.24 174.31 3kpr s ASN 21 N -1.03 -0.04 -0.08 5.45 3.84 -0.73 -5.03 114.94 117.32 3kpr s ASN 21 Ca 0.69 -0.98 0.05 0.00 0.21 0.00 0.00 52.86 52.83 3kpr s ASN 21 Cb -0.38 0.78 -0.01 0.00 -0.55 0.00 0.00 41.25 41.09 3kpr s ASN 21 CO 0.45 -1.52 -0.23 -0.36 -2.79 0.00 0.00 177.10 172.65 3kpr s PHE 22 N -2.57 2.52 -0.33 0.43 0.40 -1.26 -1.14 117.98 116.03 3kpr s PHE 22 Ca 0.15 -0.79 -0.15 0.00 -0.60 0.00 0.00 56.93 55.54 3kpr s PHE 22 Cb -0.05 -1.66 -0.02 0.00 0.51 0.00 0.00 43.02 41.81 3kpr s PHE 22 CO 0.10 -0.26 0.37 -1.17 0.70 0.00 0.00 175.22 174.96 3kpr s LEU 23 N 0.01 4.36 -0.12 -0.37 2.96 0.53 -1.93 118.68 124.12 3kpr s LEU 23 Ca -0.08 -0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 53.65 3kpr s LEU 23 Cb -0.15 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 3kpr s LEU 23 CO 0.05 -0.32 0.06 0.20 -1.32 0.00 0.00 176.35 175.02 3kpr s ASN 24 N 1.72 5.66 -0.25 3.68 0.01 0.21 -2.17 114.94 123.81 3kpr s ASN 24 Ca 0.13 0.22 0.01 0.00 -0.71 0.00 0.00 52.86 52.51 3kpr s ASN 24 Cb -0.16 -1.77 0.04 0.00 0.41 0.00 0.00 41.25 39.77 3kpr s ASN 24 CO 0.12 0.33 -0.11 0.00 -1.51 0.00 0.00 177.10 175.93 3kpr s TYR 26 N 1.19 3.25 -0.20 0.00 5.04 -0.10 -1.12 117.35 125.42 3kpr s TYR 26 Ca -0.04 -0.95 -0.07 0.00 -2.44 0.00 0.00 57.07 53.57 3kpr s TYR 26 Cb -0.18 -2.49 -0.04 0.00 0.35 0.00 0.00 41.96 39.60 3kpr s TYR 26 CO -0.06 -0.66 0.05 0.14 -1.34 0.00 0.00 175.55 173.69 3kpr s VAL 27 N 1.56 4.59 0.19 3.14 -7.23 -0.54 -1.73 120.40 120.39 3kpr s VAL 27 Ca 0.02 -0.10 -0.06 0.00 -1.81 0.00 0.00 61.98 60.03 3kpr s VAL 27 Cb -0.19 -3.08 -0.02 0.00 0.56 0.00 0.00 36.38 33.64 3kpr s VAL 27 CO 0.07 0.43 0.25 -0.94 -0.31 0.00 0.00 175.10 174.60 3kpr s SER 28 N 0.66 0.08 -1.37 4.85 1.04 -0.76 -0.43 113.70 117.77 3kpr s SER 28 Ca 0.03 -1.11 -0.00 0.00 0.48 0.00 0.00 55.95 55.34 3kpr s SER 28 Cb -0.13 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.42 3kpr s SER 28 CO 0.02 -0.92 0.02 0.61 0.98 0.00 0.00 173.24 173.95 3kpr n GLY 29 N -0.26 -0.29 3.67 7.32 0.00 -0.48 -0.45 105.19 114.69 3kpr n GLY 29 Ca -0.02 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 3kpr n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kpr s PHE 30 N -2.81 2.78 -0.28 1.61 -0.12 -1.18 -4.34 117.98 113.63 3kpr s PHE 30 Ca 0.01 -0.19 -0.20 0.00 -0.05 0.00 0.00 56.93 56.49 3kpr s PHE 30 Cb -0.00 -1.26 0.11 0.00 -0.63 0.00 0.00 43.02 41.23 3kpr s PHE 30 CO 0.01 0.58 0.86 -1.58 -0.05 0.00 0.00 175.22 175.05 3kpr s HIS 31 N -2.15 -0.72 1.19 3.49 2.46 -0.81 -1.51 115.29 117.24 3kpr s HIS 31 Ca 0.30 1.57 -0.20 0.00 0.47 0.00 0.00 55.06 57.20 3kpr s HIS 31 Cb -0.07 0.41 0.29 0.00 -0.13 0.00 0.00 32.58 33.08 3kpr s HIS 31 CO 0.20 -0.35 1.17 -1.25 -2.47 0.00 0.00 174.74 172.04 3kpr s PRO 32 N 0.89 -1.17 0.36 2.88 0.04 -1.26 -1.10 135.00 135.63 3kpr s PRO 32 Ca -0.04 -0.27 0.16 0.00 0.04 0.00 0.00 61.00 60.88 3kpr s PRO 32 Cb -0.05 -1.62 0.66 0.00 0.04 0.00 0.00 34.50 33.54 3kpr s PRO 32 CO -0.10 -3.64 1.75 0.66 0.04 0.00 0.00 177.00 175.71 3kpr h SER 33 N -2.53 0.00 -2.74 6.66 4.64 -2.00 -3.44 113.55 114.14 3kpr h SER 33 Ca -0.43 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.36 3kpr h SER 33 Cb 1.27 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.37 3kpr h SER 33 CO 0.29 0.42 0.96 -1.81 -0.87 0.00 0.00 176.83 175.82 3kpr s ASP 34 N -6.66 6.67 -0.15 4.97 1.11 -1.26 -4.99 116.67 116.37 3kpr s ASP 34 Ca -0.01 2.37 -0.07 0.00 0.18 0.00 0.00 52.55 55.02 3kpr s ASP 34 Cb 0.12 -2.56 0.06 0.00 1.07 0.00 0.00 42.92 41.61 3kpr s ASP 34 CO 0.71 -0.85 0.34 -0.51 1.18 0.00 0.00 175.17 176.05 3kpr s ILE 35 N 2.66 -0.07 -0.41 0.77 2.07 -1.26 -4.58 121.20 120.38 3kpr s ILE 35 Ca 0.71 0.12 -0.18 0.00 -1.41 0.00 0.00 60.65 59.90 3kpr s ILE 35 Cb -0.37 -0.52 0.02 0.00 0.13 0.00 0.00 42.46 41.72 3kpr s ILE 35 CO 0.31 0.05 0.46 -0.70 -1.91 0.00 0.00 174.94 173.14 3kpr s GLU 36 N 1.43 3.18 -0.10 3.50 2.12 0.50 -4.96 118.70 124.36 3kpr s GLU 36 Ca -0.09 -0.66 0.02 0.00 0.36 0.00 0.00 54.97 54.60 3kpr s GLU 36 Cb -0.09 -3.95 0.01 0.00 0.26 0.00 0.00 34.13 30.36 3kpr s GLU 36 CO -0.11 -0.84 -0.17 0.08 -0.54 0.00 0.00 175.26 173.68 3kpr s VAL 37 N 2.22 1.60 0.12 3.70 1.01 -1.26 0.88 120.40 128.67 3kpr s VAL 37 Ca 0.14 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.46 3kpr s VAL 37 Cb -0.17 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3kpr s VAL 37 CO 0.14 0.46 -0.14 -1.81 0.00 0.00 0.00 175.10 173.75 3kpr s ASP 38 N 0.82 2.03 0.05 3.32 1.01 0.13 -5.00 116.67 119.03 3kpr s ASP 38 Ca -0.10 -0.81 0.06 0.00 0.71 0.00 0.00 52.55 52.42 3kpr s ASP 38 Cb -0.16 -0.07 -0.03 0.00 1.01 0.00 0.00 42.92 43.67 3kpr s ASP 38 CO 0.01 -0.14 -0.15 -0.76 0.21 0.00 0.00 175.17 174.34 3kpr s LEU 39 N -2.46 2.79 -0.03 1.23 1.43 -1.26 -1.24 118.68 119.13 3kpr s LEU 39 Ca 0.09 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 3kpr s LEU 39 Cb -0.05 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.55 3kpr s LEU 39 CO 0.03 0.25 -0.11 -0.76 0.23 0.00 0.00 176.35 175.98 3kpr s LEU 40 N -1.57 1.80 -0.33 1.79 1.43 -0.48 -1.22 118.68 120.10 3kpr s LEU 40 Ca 0.16 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 3kpr s LEU 40 Cb -0.11 -0.69 0.06 0.00 0.03 0.00 0.00 46.19 45.48 3kpr s LEU 40 CO 0.07 0.09 0.06 -0.75 0.23 0.00 0.00 176.35 176.04 3kpr s LYS 41 N 0.20 2.41 -1.44 1.70 2.20 0.18 -2.64 119.74 122.35 3kpr s LYS 41 Ca -0.04 -1.33 -0.06 0.00 -0.36 0.00 0.00 55.97 54.18 3kpr s LYS 41 Cb -0.10 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 32.94 3kpr s LYS 41 CO 0.01 -0.70 0.52 0.09 -0.36 0.00 0.00 175.35 174.91 3kpr n ASN 42 N 4.66 -5.16 0.00 1.43 3.02 0.15 -1.21 115.26 118.15 3kpr n ASN 42 Ca -0.11 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 3kpr n ASN 42 Cb 0.43 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.40 3kpr n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kpr n GLY 43 N -1.35 3.10 3.73 7.41 0.00 -1.26 -5.03 105.19 111.79 3kpr n GLY 43 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3kpr n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kpr s GLU 44 N -0.37 4.41 -0.02 1.61 0.41 -0.35 -4.95 118.70 119.44 3kpr s GLU 44 Ca 0.00 1.96 -0.30 0.00 -0.41 0.00 0.00 54.97 56.22 3kpr s GLU 44 Cb 0.00 -3.25 -0.04 0.00 -1.78 0.00 0.00 34.13 29.06 3kpr s GLU 44 CO 0.00 -0.25 1.24 0.50 -0.49 0.00 0.00 175.26 176.25 3kpr s ARG 45 N 0.36 4.36 0.00 1.61 3.52 -1.26 -0.64 118.95 126.90 3kpr s ARG 45 Ca 0.58 1.75 -0.26 0.00 -0.13 0.00 0.00 55.73 57.67 3kpr s ARG 45 Cb -0.34 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.49 3kpr s ARG 45 CO 0.34 -0.43 0.81 0.42 -0.81 0.00 0.00 175.30 175.64 3kpr s ILE 46 N 1.97 4.84 0.58 4.11 1.01 -0.36 -4.94 121.20 128.42 3kpr s ILE 46 Ca 0.58 1.71 -0.04 0.00 0.00 0.00 0.00 60.65 62.90 3kpr s ILE 46 Cb -0.27 -4.16 0.02 0.00 0.01 0.00 0.00 42.46 38.06 3kpr s ILE 46 CO 0.24 0.28 0.86 -1.61 0.00 0.00 0.00 174.94 174.71 3kpr s GLU 47 N 0.47 2.75 -1.37 2.79 8.01 -1.26 -4.49 118.70 125.60 3kpr s GLU 47 Ca 0.42 -0.27 -0.01 0.00 0.01 0.00 0.00 54.97 55.12 3kpr s GLU 47 Cb -0.20 -2.34 -0.00 0.00 -4.31 0.00 0.00 34.13 27.28 3kpr s GLU 47 CO 0.23 -0.72 0.51 1.63 0.01 0.00 0.00 175.26 176.92 3kpr n LYS 48 N -2.51 -3.64 -3.25 1.61 5.02 -1.26 -4.96 118.16 109.17 3kpr n LYS 48 Ca 0.05 0.47 -0.40 0.00 -2.02 0.00 0.00 58.31 56.41 3kpr n LYS 48 Cb 0.58 -4.69 -0.08 0.00 -0.02 0.00 0.00 35.03 30.83 3kpr n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kpr s VAL 49 N -3.86 5.09 0.30 -0.18 1.01 -1.26 -4.88 120.40 116.62 3kpr s VAL 49 Ca 0.02 0.86 -0.12 0.00 0.00 0.00 0.00 61.98 62.74 3kpr s VAL 49 Cb -0.01 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.47 3kpr s VAL 49 CO 0.87 0.11 0.68 -1.61 0.00 0.00 0.00 175.10 175.15 3kpr s GLU 50 N 2.13 3.90 0.03 2.72 2.02 -0.32 -4.86 118.70 124.33 3kpr s GLU 50 Ca 0.21 0.51 0.02 0.00 0.02 0.00 0.00 54.97 55.73 3kpr s GLU 50 Cb -0.16 -2.50 -0.02 0.00 0.10 0.00 0.00 34.13 31.56 3kpr s GLU 50 CO 0.09 0.18 -0.07 -3.38 0.02 0.00 0.00 175.26 172.10 3kpr s HIS 51 N -1.99 0.59 1.11 1.61 -3.43 -1.26 0.06 115.29 111.99 3kpr s HIS 51 Ca 0.51 -0.44 -0.16 0.00 -0.80 0.00 0.00 55.06 54.17 3kpr s HIS 51 Cb -0.10 -0.36 0.24 0.00 -1.43 0.00 0.00 32.58 30.92 3kpr s HIS 51 CO 0.21 -0.08 1.11 -1.54 -2.00 0.00 0.00 174.74 172.43 3kpr s SER 52 N -1.36 1.74 0.23 7.38 1.04 -0.48 -4.99 113.70 117.27 3kpr s SER 52 Ca -0.09 0.85 -0.27 0.00 0.48 0.00 0.00 55.95 56.92 3kpr s SER 52 Cb -0.09 -1.27 -0.09 0.00 0.10 0.00 0.00 66.02 64.67 3kpr s SER 52 CO 0.00 -3.64 0.88 -1.81 0.98 0.00 0.00 173.24 169.65 3kpr s ASP 53 N -3.75 7.48 0.06 7.02 1.01 -1.26 -4.76 116.67 122.47 3kpr s ASP 53 Ca 0.68 1.80 -0.33 0.00 0.71 0.00 0.00 52.55 55.42 3kpr s ASP 53 Cb -0.13 -2.56 -0.12 0.00 1.01 0.00 0.00 42.92 41.12 3kpr s ASP 53 CO 0.56 0.13 1.79 -0.11 0.21 0.00 0.00 175.17 177.75 3kpr n LEU 54 N 1.30 3.63 -4.25 1.23 7.94 -1.26 -4.93 117.00 120.67 3kpr n LEU 54 Ca -0.02 1.00 -0.17 0.00 -1.11 0.00 0.00 56.01 55.71 3kpr n LEU 54 Cb 0.48 -1.46 -0.08 0.00 0.53 0.00 0.00 43.42 42.89 3kpr n LEU 54 CO 0.47 -0.01 -0.13 -0.55 -1.11 0.00 0.00 177.39 176.06 3kpr s SER 55 N 2.77 1.16 0.06 1.96 0.15 -1.22 -5.05 113.70 113.55 3kpr s SER 55 Ca 0.85 -1.63 -0.17 0.00 0.70 0.00 0.00 55.95 55.70 3kpr s SER 55 Cb -0.59 0.51 0.03 0.00 -1.71 0.00 0.00 66.02 64.26 3kpr s SER 55 CO 0.42 -1.01 0.40 0.72 1.20 0.00 0.00 173.24 174.98 3kpr s PHE 56 N -3.65 -0.24 0.92 3.44 -0.71 -1.26 -1.17 117.98 115.30 3kpr s PHE 56 Ca 0.40 0.13 -0.14 0.00 -1.04 0.00 0.00 56.93 56.27 3kpr s PHE 56 Cb 0.04 0.22 0.17 0.00 -1.21 0.00 0.00 43.02 42.24 3kpr s PHE 56 CO 0.22 -0.60 1.27 -1.12 -1.34 0.00 0.00 175.22 173.65 3kpr s SER 57 N -2.22 3.47 0.61 1.98 0.01 -0.04 -4.91 113.70 112.60 3kpr s SER 57 Ca -0.03 0.32 0.32 0.00 1.31 0.00 0.00 55.95 57.88 3kpr s SER 57 Cb -0.00 -0.48 1.87 0.00 0.21 0.00 0.00 66.02 67.63 3kpr s SER 57 CO -0.05 -2.51 2.20 0.50 0.41 0.00 0.00 173.24 173.79 3kpr h LYS 58 N -1.45 0.00 -0.10 12.44 3.64 -2.03 -0.98 116.57 128.08 3kpr h LYS 58 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3kpr h LYS 58 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3kpr h LYS 58 CO 0.43 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.21 3kpr n ASP 59 N -3.61 1.48 0.00 4.20 5.75 -1.26 -4.93 116.55 118.18 3kpr n ASP 59 Ca -0.01 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.17 3kpr n ASP 59 Cb 0.19 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 3kpr n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3kpr n TRP 60 N 0.18 0.00 -2.59 2.11 7.02 -0.37 -5.04 117.44 118.75 3kpr n TRP 60 Ca 0.17 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.26 3kpr n TRP 60 Cb 0.32 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.16 3kpr n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3kpr s SER 61 N -3.25 7.33 0.57 -0.99 1.04 -1.26 -4.71 113.70 112.43 3kpr s SER 61 Ca 0.00 2.11 -0.13 0.00 0.48 0.00 0.00 55.95 58.41 3kpr s SER 61 Cb 0.00 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.45 3kpr s SER 61 CO 0.00 -0.08 1.00 -0.36 0.98 0.00 0.00 173.24 174.77 3kpr s PHE 62 N -1.26 3.56 0.01 5.02 0.08 -0.57 -0.86 117.98 123.96 3kpr s PHE 62 Ca 0.45 1.32 -0.01 0.00 0.12 0.00 0.00 56.93 58.81 3kpr s PHE 62 Cb -0.28 -2.72 -0.01 0.00 -0.57 0.00 0.00 43.02 39.44 3kpr s PHE 62 CO 0.35 -0.54 0.01 1.52 -0.10 0.00 0.00 175.22 176.46 3kpr s TYR 63 N -2.94 0.18 -0.02 0.36 -0.85 -0.32 -1.39 117.35 112.37 3kpr s TYR 63 Ca 0.56 -0.37 -0.11 0.00 -0.52 0.00 0.00 57.07 56.63 3kpr s TYR 63 Cb -0.11 -0.13 0.01 0.00 0.38 0.00 0.00 41.96 42.11 3kpr s TYR 63 CO 0.45 -0.18 0.23 -0.51 -1.52 0.00 0.00 175.55 174.02 3kpr s LEU 64 N -1.22 1.16 -0.21 -3.49 1.43 0.43 -3.37 118.68 113.41 3kpr s LEU 64 Ca -0.13 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 3kpr s LEU 64 Cb -0.08 0.97 0.04 0.00 0.03 0.00 0.00 46.19 47.14 3kpr s LEU 64 CO -0.00 -0.36 -0.15 -0.22 0.23 0.00 0.00 176.35 175.85 3kpr s LEU 65 N -1.11 2.58 -0.14 1.79 2.96 -1.26 -1.47 118.68 122.04 3kpr s LEU 65 Ca -0.12 -0.93 -0.08 0.00 -0.22 0.00 0.00 54.13 52.78 3kpr s LEU 65 Cb -0.06 -1.46 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 3kpr s LEU 65 CO 0.03 -0.09 0.14 -0.31 -1.32 0.00 0.00 176.35 174.80 3kpr s TYR 66 N 1.25 3.56 -0.11 5.38 1.51 -0.28 -1.38 117.35 127.28 3kpr s TYR 66 Ca -0.01 0.49 -0.20 0.00 -1.01 0.00 0.00 57.07 56.35 3kpr s TYR 66 Cb -0.16 -1.99 0.05 0.00 -0.11 0.00 0.00 41.96 39.75 3kpr s TYR 66 CO -0.10 0.65 0.49 1.52 -1.11 0.00 0.00 175.55 177.00 3kpr s TYR 67 N -0.74 -0.47 0.11 2.71 1.13 0.11 0.01 117.35 120.20 3kpr s TYR 67 Ca 0.14 1.00 -0.03 0.00 -1.41 0.00 0.00 57.07 56.77 3kpr s TYR 67 Cb -0.12 0.21 -0.03 0.00 -1.10 0.00 0.00 41.96 40.92 3kpr s TYR 67 CO 0.03 -0.38 0.08 -0.08 -2.51 0.00 0.00 175.55 172.69 3kpr s THR 68 N -0.50 0.13 0.22 -3.49 -1.32 -0.92 -1.17 115.64 108.59 3kpr s THR 68 Ca -0.06 -1.74 -0.30 0.00 -1.21 0.00 0.00 61.69 58.38 3kpr s THR 68 Cb -0.03 -1.80 -0.09 0.00 -1.51 0.00 0.00 72.50 69.08 3kpr s THR 68 CO 0.04 -0.61 0.95 -0.70 -2.21 0.00 0.00 174.62 172.09 3kpr s GLU 69 N -3.98 4.83 0.07 7.08 -6.30 -1.26 -0.35 118.70 118.78 3kpr s GLU 69 Ca 0.16 1.50 -0.09 0.00 -2.50 0.00 0.00 54.97 54.04 3kpr s GLU 69 Cb 0.07 -3.29 0.00 0.00 0.00 0.00 0.00 34.13 30.91 3kpr s GLU 69 CO -0.03 0.46 0.20 -0.59 0.02 0.00 0.00 175.26 175.31 3kpr s PHE 70 N -0.99 0.11 -0.31 5.30 -0.71 -0.29 -4.85 117.98 116.23 3kpr s PHE 70 Ca 0.42 -0.46 0.02 0.00 -1.04 0.00 0.00 56.93 55.88 3kpr s PHE 70 Cb -0.26 -0.04 0.08 0.00 -1.21 0.00 0.00 43.02 41.59 3kpr s PHE 70 CO 0.32 -0.50 0.00 0.99 -1.34 0.00 0.00 175.22 174.69 3kpr s THR 71 N -3.37 2.40 0.24 -4.49 2.01 -1.26 -1.77 115.64 109.40 3kpr s THR 71 Ca 0.01 -1.98 -0.30 0.00 0.31 0.00 0.00 61.69 59.74 3kpr s THR 71 Cb 0.03 -2.60 -0.10 0.00 0.01 0.00 0.00 72.50 69.84 3kpr s THR 71 CO -0.08 -0.36 1.40 -2.16 -0.69 0.00 0.00 174.62 172.73 3kpr s PRO 72 N 1.03 4.30 0.01 4.92 0.04 -1.26 -4.86 135.00 139.17 3kpr s PRO 72 Ca 0.02 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.31 3kpr s PRO 72 Cb -0.20 -3.12 -0.00 0.00 0.04 0.00 0.00 34.50 31.22 3kpr s PRO 72 CO -0.06 -0.37 0.00 0.25 0.04 0.00 0.00 177.00 176.87 3kpr n THR 73 N 2.29 0.00 -0.01 1.26 -2.24 -1.26 -0.82 114.28 113.50 3kpr n THR 73 Ca 0.06 -0.04 -0.17 0.00 -2.27 0.00 0.00 64.05 61.63 3kpr n THR 73 Cb 0.41 0.02 -0.11 0.00 -2.10 0.00 0.00 70.33 68.55 3kpr n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3kpr h GLU 74 N 0.00 0.32 0.11 -0.78 4.57 -1.97 -3.39 114.58 113.44 3kpr h GLU 74 Ca -0.00 -0.34 -0.29 0.00 -1.18 0.00 0.00 59.36 57.54 3kpr h GLU 74 Cb 0.02 0.10 0.03 0.00 -0.16 0.00 0.00 28.75 28.73 3kpr h GLU 74 CO 0.01 1.03 -1.22 0.87 -1.18 0.00 0.00 179.01 178.52 3kpr h LYS 75 N -0.26 0.60 -6.46 1.92 1.79 -2.00 -3.46 116.57 108.70 3kpr h LYS 75 Ca -0.06 -0.79 -0.53 0.00 -2.18 0.00 0.00 60.65 57.09 3kpr h LYS 75 Cb 1.19 0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 32.08 3kpr h LYS 75 CO 0.09 1.36 0.38 -0.51 -1.08 0.00 0.00 179.45 179.68 3kpr s ASP 76 N -7.39 7.39 -0.03 0.86 1.01 -1.26 -5.06 116.67 112.20 3kpr s ASP 76 Ca -0.09 1.72 -0.01 0.00 0.71 0.00 0.00 52.55 54.88 3kpr s ASP 76 Cb 0.06 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 3kpr s ASP 76 CO 0.93 -0.21 0.07 -1.61 0.21 0.00 0.00 175.17 174.55 3kpr s GLU 77 N 0.70 3.06 0.07 8.23 2.02 -1.26 -4.67 118.70 126.85 3kpr s GLU 77 Ca 0.51 -0.45 0.06 0.00 0.02 0.00 0.00 54.97 55.10 3kpr s GLU 77 Cb -0.22 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 3kpr s GLU 77 CO 0.29 0.66 -0.17 0.71 0.02 0.00 0.00 175.26 176.77 3kpr s TYR 78 N -1.13 1.45 0.18 1.61 2.02 -1.26 -0.67 117.35 119.55 3kpr s TYR 78 Ca 0.21 -0.41 -0.14 0.00 -0.37 0.00 0.00 57.07 56.36 3kpr s TYR 78 Cb -0.12 -0.83 0.01 0.00 -0.40 0.00 0.00 41.96 40.62 3kpr s TYR 78 CO 0.11 0.09 0.41 0.00 -1.57 0.00 0.00 175.55 174.60 3kpr s ALA 79 N -1.05 -0.51 -0.18 3.71 0.00 -1.08 -0.10 121.76 122.55 3kpr s ALA 79 Ca 0.03 -0.52 -0.00 0.00 0.00 0.00 0.00 51.96 51.46 3kpr s ALA 79 Cb -0.09 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.89 3kpr s ALA 79 CO 0.02 -0.73 -0.16 0.00 0.00 0.00 0.00 175.76 174.89 3kpr s ARG 81 N 1.20 3.04 -0.16 0.00 3.52 -0.37 -1.45 118.95 124.73 3kpr s ARG 81 Ca 0.02 -1.12 -0.04 0.00 -0.13 0.00 0.00 55.73 54.46 3kpr s ARG 81 Cb -0.14 -4.11 -0.03 0.00 -1.56 0.00 0.00 34.95 29.12 3kpr s ARG 81 CO -0.07 -1.09 -0.03 0.08 -0.81 0.00 0.00 175.30 173.37 3kpr s VAL 82 N 2.07 3.90 0.03 7.11 1.01 0.53 -0.69 120.40 134.35 3kpr s VAL 82 Ca 0.09 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.78 3kpr s VAL 82 Cb -0.22 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 3kpr s VAL 82 CO 0.09 0.49 -0.20 0.21 0.00 0.00 0.00 175.10 175.69 3kpr s ASN 83 N 0.42 2.32 0.17 3.32 3.84 0.25 0.16 114.94 125.43 3kpr s ASN 83 Ca -0.04 -0.47 -0.09 0.00 0.21 0.00 0.00 52.86 52.47 3kpr s ASN 83 Cb -0.14 -0.20 -0.01 0.00 -0.55 0.00 0.00 41.25 40.35 3kpr s ASN 83 CO 0.03 0.16 0.30 -2.28 -2.79 0.00 0.00 177.10 172.52 3kpr s HIS 84 N -0.73 0.42 0.22 0.43 5.65 -1.26 -0.37 115.29 119.65 3kpr s HIS 84 Ca 0.07 -0.77 0.24 0.00 0.25 0.00 0.00 55.06 54.84 3kpr s HIS 84 Cb -0.08 -0.05 1.04 0.00 -1.18 0.00 0.00 32.58 32.31 3kpr s HIS 84 CO 0.01 -0.75 1.88 -0.24 -0.65 0.00 0.00 174.74 175.00 3kpr h VAL 85 N 2.51 0.61 0.00 0.89 3.04 -1.94 -2.93 116.25 118.44 3kpr h VAL 85 Ca -0.31 -1.01 -0.10 0.00 -1.01 0.00 0.00 66.70 64.27 3kpr h VAL 85 Cb 1.23 1.67 -0.01 0.00 -2.01 0.00 0.00 31.29 32.17 3kpr h VAL 85 CO 0.47 0.21 -0.46 0.71 -1.01 0.00 0.00 177.57 177.50 3kpr h THR 86 N 0.00 0.81 -3.40 3.17 1.35 -1.90 -3.44 112.91 109.51 3kpr h THR 86 Ca -0.00 -2.04 -0.55 0.00 -0.55 0.00 0.00 66.41 63.26 3kpr h THR 86 Cb 0.65 2.32 -0.04 0.00 -1.73 0.00 0.00 68.15 69.35 3kpr h THR 86 CO 0.03 0.45 0.12 -0.76 -0.25 0.00 0.00 175.52 175.10 3kpr s LEU 87 N -6.52 4.44 0.30 3.87 1.43 -1.11 -4.96 118.68 116.12 3kpr s LEU 87 Ca 0.04 1.38 0.16 0.00 -1.03 0.00 0.00 54.13 54.67 3kpr s LEU 87 Cb 0.08 -3.15 0.14 0.00 0.03 0.00 0.00 46.19 43.29 3kpr s LEU 87 CO 0.73 0.04 1.48 0.77 0.23 0.00 0.00 176.35 179.60 3kpr h SER 88 N 5.65 0.00 -4.74 2.29 4.64 -1.86 -3.43 113.55 116.10 3kpr h SER 88 Ca -0.44 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.60 3kpr h SER 88 Cb 1.20 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.09 3kpr h SER 88 CO 0.71 0.47 -0.73 -1.10 -0.87 0.00 0.00 176.83 175.31 3kpr s GLN 89 N -3.03 0.56 0.24 4.77 -0.21 -1.26 -5.12 119.66 115.61 3kpr s GLN 89 Ca 0.04 -0.81 -0.31 0.00 0.02 0.00 0.00 55.36 54.29 3kpr s GLN 89 Cb 0.08 -0.31 -0.13 0.00 1.00 0.00 0.00 33.01 33.65 3kpr s GLN 89 CO 0.74 0.05 1.56 -0.35 -2.12 0.00 0.00 175.29 175.16 3kpr n PRO 90 N 1.34 2.41 -3.67 2.91 -0.04 -1.26 -4.85 135.00 131.84 3kpr n PRO 90 Ca -0.22 0.86 -0.36 0.00 -0.04 0.00 0.00 63.50 63.74 3kpr n PRO 90 Cb 0.55 -2.62 -0.10 0.00 -0.04 0.00 0.00 33.50 31.30 3kpr n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3kpr s LYS 91 N 0.07 4.07 -0.20 0.54 2.20 0.12 -4.91 119.74 121.62 3kpr s LYS 91 Ca 0.70 -0.27 -0.08 0.00 -0.36 0.00 0.00 55.97 55.96 3kpr s LYS 91 Cb -0.58 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.17 3kpr s LYS 91 CO 0.44 0.06 0.08 0.42 -0.36 0.00 0.00 175.35 176.00 3kpr s ILE 92 N 1.05 4.86 -0.18 5.43 1.09 -1.26 -0.35 121.20 131.84 3kpr s ILE 92 Ca 0.07 -0.00 0.01 0.00 -1.10 0.00 0.00 60.65 59.63 3kpr s ILE 92 Cb -0.13 -3.22 0.03 0.00 -1.06 0.00 0.00 42.46 38.08 3kpr s ILE 92 CO 0.04 0.43 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.47 3kpr s VAL 93 N 0.63 1.80 0.46 2.92 1.01 -0.53 -4.95 120.40 121.74 3kpr s VAL 93 Ca 0.04 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 3kpr s VAL 93 Cb -0.13 -1.73 -0.07 0.00 0.00 0.00 0.00 36.38 34.44 3kpr s VAL 93 CO 0.01 0.36 1.30 -0.54 0.00 0.00 0.00 175.10 176.23 3kpr s LYS 94 N 1.37 3.67 -0.23 2.72 1.02 -1.26 -1.41 119.74 125.61 3kpr s LYS 94 Ca 0.02 2.12 -0.24 0.00 0.02 0.00 0.00 55.97 57.89 3kpr s LYS 94 Cb -0.14 -2.53 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 3kpr s LYS 94 CO -0.10 -0.73 0.81 -0.46 -0.92 0.00 0.00 175.35 173.95 3kpr s TRP 95 N -1.33 3.33 -0.18 3.18 -0.00 0.86 -4.87 118.94 119.94 3kpr s TRP 95 Ca 0.63 1.13 -0.02 0.00 -0.00 0.00 0.00 56.10 57.84 3kpr s TRP 95 Cb -0.37 -3.02 -0.01 0.00 -0.00 0.00 0.00 33.47 30.07 3kpr s TRP 95 CO 0.46 -0.36 -0.09 0.34 -0.00 0.00 0.00 176.95 177.30 3kpr s ASP 96 N 1.31 4.14 0.55 5.86 2.15 -1.26 -4.73 116.67 124.68 3kpr s ASP 96 Ca 0.35 -0.36 0.36 0.00 0.43 0.00 0.00 52.55 53.32 3kpr s ASP 96 Cb -0.16 -1.67 1.64 0.00 -0.30 0.00 0.00 42.92 42.44 3kpr s ASP 96 CO 0.08 0.07 2.06 0.08 -0.17 0.00 0.00 175.17 177.29 3kpr h ARG 97 N 7.43 0.00 -0.00 4.34 0.11 -1.96 -1.70 114.38 122.59 3kpr h ARG 97 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.73 3kpr h ARG 97 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3kpr h ARG 97 CO 0.59 0.00 -0.14 -0.25 0.10 0.00 0.00 179.97 180.27 3kpr n ASP 98 N -2.96 0.61 0.00 0.08 8.00 -1.26 -4.80 116.55 116.21 3kpr n ASP 98 Ca -0.00 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.85 3kpr n ASP 98 Cb 0.21 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 3kpr n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04