#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bhk s ALA 16 N 0.00 4.35 0.14 7.82 0.00 -1.26 -4.91 121.76 127.90 2bhk s ALA 16 Ca 0.00 -1.76 -0.30 0.00 0.00 0.00 0.00 51.96 49.90 2bhk s ALA 16 Cb 0.00 -1.11 -0.07 0.00 0.00 0.00 0.00 23.12 21.94 2bhk s ALA 16 CO 0.00 -0.42 1.16 0.50 0.00 0.00 0.00 175.76 177.00 2bhk s ARG 17 N -4.30 4.51 -0.12 0.00 3.00 -1.26 0.23 118.95 121.01 2bhk s ARG 17 Ca 0.48 1.77 -0.32 0.00 -1.00 0.00 0.00 55.73 56.66 2bhk s ARG 17 Cb -0.04 -3.29 -0.15 0.00 0.00 0.00 0.00 34.95 31.46 2bhk s ARG 17 CO 0.29 -0.08 0.95 0.00 0.00 0.00 0.00 175.30 176.45 2bhk s SER 19 N 0.71 -0.29 -0.20 0.00 1.04 0.07 -4.90 113.70 110.14 2bhk s SER 19 Ca 0.73 -0.21 -0.28 0.00 0.48 0.00 0.00 55.95 56.67 2bhk s SER 19 Cb -1.03 0.46 -0.00 0.00 0.10 0.00 0.00 66.02 65.56 2bhk s SER 19 CO 0.50 -0.81 0.96 -0.60 0.98 0.00 0.00 173.24 174.27 2bhk s ARG 20 N -3.28 4.29 0.52 4.02 3.52 -1.26 -1.14 118.95 125.61 2bhk s ARG 20 Ca 0.08 1.24 0.06 0.00 -0.13 0.00 0.00 55.73 56.98 2bhk s ARG 20 Cb -0.01 -3.61 0.02 0.00 -1.56 0.00 0.00 34.95 29.79 2bhk s ARG 20 CO -0.04 -0.49 0.38 0.15 -0.81 0.00 0.00 175.30 174.49 2bhk s LYS 21 N 2.71 2.29 0.37 5.12 -0.14 0.34 -4.92 119.74 125.51 2bhk s LYS 21 Ca 0.42 -1.94 -0.11 0.00 -1.36 0.00 0.00 55.97 52.97 2bhk s LYS 21 Cb -0.16 -2.12 -0.07 0.00 -1.68 0.00 0.00 37.83 33.80 2bhk s LYS 21 CO 0.10 -0.52 0.75 0.00 -0.76 0.00 0.00 175.35 174.92 2bhk s ALA 22 N -2.72 3.35 -0.31 5.17 0.00 -1.26 -1.15 121.76 124.84 2bhk s ALA 22 Ca 0.36 -0.15 0.04 0.00 0.00 0.00 0.00 51.96 52.21 2bhk s ALA 22 Cb -0.02 -2.70 0.17 0.00 0.00 0.00 0.00 23.12 20.57 2bhk s ALA 22 CO 0.22 0.10 0.48 -1.17 0.00 0.00 0.00 175.76 175.40 2bhk s LEU 23 N -3.58 -1.04 -0.24 0.00 2.96 -1.26 -4.47 118.68 111.05 2bhk s LEU 23 Ca 0.52 -0.41 -0.26 0.00 -0.22 0.00 0.00 54.13 53.75 2bhk s LEU 23 Cb -0.10 1.41 0.00 0.00 0.50 0.00 0.00 46.19 48.00 2bhk s LEU 23 CO 0.27 -0.31 0.91 -2.28 -1.32 0.00 0.00 176.35 173.63 2bhk s HIS 24 N 2.41 3.32 -0.17 5.38 5.65 -1.26 0.48 115.29 131.10 2bhk s HIS 24 Ca 0.11 1.26 -0.07 0.00 0.25 0.00 0.00 55.06 56.62 2bhk s HIS 24 Cb -0.11 -3.13 -0.04 0.00 -1.18 0.00 0.00 32.58 28.12 2bhk s HIS 24 CO -0.23 -0.43 0.06 0.08 -0.65 0.00 0.00 174.74 173.56 2bhk s VAL 25 N 2.98 4.77 -0.27 0.89 1.01 0.10 -4.93 120.40 124.94 2bhk s VAL 25 Ca 0.38 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 2bhk s VAL 25 Cb -0.15 -3.13 0.04 0.00 0.00 0.00 0.00 36.38 33.14 2bhk s VAL 25 CO 0.07 0.49 -0.04 0.21 0.00 0.00 0.00 175.10 175.82 2bhk s ASN 26 N 0.16 4.60 0.39 3.32 3.84 -1.26 -0.74 114.94 125.25 2bhk s ASN 26 Ca 0.04 -1.14 0.25 0.00 0.21 0.00 0.00 52.86 52.23 2bhk s ASN 26 Cb -0.12 -1.67 0.66 0.00 -0.55 0.00 0.00 41.25 39.56 2bhk s ASN 26 CO 0.01 -0.20 1.72 -0.26 -2.79 0.00 0.00 177.10 175.57 2bhk h PHE 27 N 7.97 0.00 0.00 0.43 0.04 -1.28 -3.10 116.94 121.00 2bhk h PHE 27 Ca -0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.52 2bhk h PHE 27 Cb 1.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.23 2bhk h PHE 27 CO 0.60 0.00 0.00 1.63 -0.60 0.00 0.00 178.31 179.94 2bhk n LYS 28 N -2.83 0.10 -0.12 1.51 5.02 -1.25 -0.06 118.16 120.54 2bhk n LYS 28 Ca 0.04 0.22 0.10 0.00 -2.02 0.00 0.00 58.31 56.65 2bhk n LYS 28 Cb 0.45 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 34.11 2bhk n LYS 28 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2bhk n ASP 29 N -1.29 3.03 0.06 4.39 8.00 -1.17 -4.42 116.55 125.15 2bhk n ASP 29 Ca 0.03 -1.89 0.12 0.00 0.71 0.00 0.00 54.79 53.76 2bhk n ASP 29 Cb 0.06 -0.15 0.11 0.00 -0.02 0.00 0.00 41.12 41.11 2bhk n ASP 29 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2bhk h MET 30 N 3.79 0.00 -2.13 -1.24 2.86 -0.67 -3.48 114.93 114.06 2bhk h MET 30 Ca 0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 2bhk h MET 30 Cb 0.86 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.55 2bhk h MET 30 CO 0.00 0.00 -0.14 0.41 1.06 0.00 0.00 176.91 178.24 2bhk n GLY 31 N 1.31 0.58 0.09 8.32 0.00 -1.26 -4.93 105.19 109.30 2bhk n GLY 31 Ca 0.02 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.65 2bhk n GLY 31 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2bhk n TRP 32 N -2.72 0.00 -0.02 1.61 8.01 -1.26 -4.85 117.44 118.21 2bhk n TRP 32 Ca -0.01 -0.83 0.11 0.00 -1.31 0.00 0.00 57.50 55.46 2bhk n TRP 32 Cb 0.52 -0.12 0.52 0.00 -2.01 0.00 0.00 31.31 30.21 2bhk n TRP 32 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 2bhk h ASP 33 N 0.00 0.31 0.00 -0.99 3.32 -1.92 -1.02 116.42 116.13 2bhk h ASP 33 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2bhk h ASP 33 Cb 0.95 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2bhk h ASP 33 CO 0.00 0.19 0.00 0.47 -1.72 0.00 0.00 179.24 178.18 2bhk n ASP 34 N -4.47 0.00 0.00 6.45 8.00 -1.26 -4.33 116.55 120.94 2bhk n ASP 34 Ca 0.07 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.54 2bhk n ASP 34 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 2bhk n ASP 34 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2bhk n TRP 35 N -0.97 0.00 -2.38 1.24 8.01 -0.48 -4.90 117.44 117.96 2bhk n TRP 35 Ca 0.22 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 56.00 2bhk n TRP 35 Cb 0.10 0.05 -0.04 0.00 -2.01 0.00 0.00 31.31 29.41 2bhk n TRP 35 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.69 175.18 2bhk s ILE 36 N -1.62 3.41 -0.15 -0.99 2.07 -0.63 -1.03 121.20 122.27 2bhk s ILE 36 Ca 0.00 1.31 -0.04 0.00 -1.41 0.00 0.00 60.65 60.51 2bhk s ILE 36 Cb 0.00 -3.84 -0.08 0.00 0.13 0.00 0.00 42.46 38.68 2bhk s ILE 36 CO 0.00 0.27 -0.16 -0.38 -1.91 0.00 0.00 174.94 172.76 2bhk n ILE 37 N 1.68 0.81 -3.59 2.00 5.41 0.11 -4.93 119.36 120.86 2bhk n ILE 37 Ca 0.01 -0.25 -0.11 0.00 1.00 0.00 0.00 62.75 63.41 2bhk n ILE 37 Cb 0.44 -1.42 -0.06 0.00 -0.71 0.00 0.00 39.64 37.90 2bhk n ILE 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2bhk s ALA 38 N -2.28 -1.92 0.52 -1.39 0.00 -1.08 -4.64 121.76 110.98 2bhk s ALA 38 Ca -0.20 1.66 -0.12 0.00 0.00 0.00 0.00 51.96 53.30 2bhk s ALA 38 Cb 0.07 -0.87 -0.06 0.00 0.00 0.00 0.00 23.12 22.26 2bhk s ALA 38 CO 0.29 -0.29 0.93 -1.25 0.00 0.00 0.00 175.76 175.43 2bhk s PRO 39 N -0.68 3.74 0.01 0.00 0.04 -1.26 -0.59 135.00 136.26 2bhk s PRO 39 Ca -0.01 0.68 0.23 0.00 0.04 0.00 0.00 61.00 61.94 2bhk s PRO 39 Cb -0.02 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 32.34 2bhk s PRO 39 CO 0.00 -0.32 1.04 1.28 0.04 0.00 0.00 177.00 179.04 2bhk n LEU 40 N -2.02 0.71 -3.56 -3.56 4.32 -1.26 -4.91 117.00 106.72 2bhk n LEU 40 Ca 0.05 -0.22 -0.13 0.00 -0.02 0.00 0.00 56.01 55.69 2bhk n LEU 40 Cb 0.54 -0.09 -0.05 0.00 -1.62 0.00 0.00 43.42 42.21 2bhk n LEU 40 CO 0.52 0.15 0.28 -1.83 -1.22 0.00 0.00 177.39 175.28 2bhk s GLU 41 N -3.08 1.08 0.17 3.23 4.04 -1.26 -0.72 118.70 122.17 2bhk s GLU 41 Ca 0.07 -0.37 -0.22 0.00 0.04 0.00 0.00 54.97 54.49 2bhk s GLU 41 Cb 0.16 0.49 0.06 0.00 0.02 0.00 0.00 34.13 34.86 2bhk s GLU 41 CO 0.81 -0.41 0.60 1.52 -1.84 0.00 0.00 175.26 175.94 2bhk s TYR 42 N -2.94 -0.47 -0.42 4.83 1.13 0.08 -4.99 117.35 114.57 2bhk s TYR 42 Ca -0.03 0.23 -0.20 0.00 -1.41 0.00 0.00 57.07 55.66 2bhk s TYR 42 Cb -0.00 0.56 0.02 0.00 -1.10 0.00 0.00 41.96 41.44 2bhk s TYR 42 CO -0.06 -0.89 0.61 -1.21 -2.51 0.00 0.00 175.55 171.49 2bhk s GLU 43 N -3.78 3.32 0.06 -3.49 0.41 -1.26 0.03 118.70 113.99 2bhk s GLU 43 Ca 0.02 -0.37 0.18 0.00 -0.41 0.00 0.00 54.97 54.39 2bhk s GLU 43 Cb -0.01 -3.93 -0.14 0.00 -1.78 0.00 0.00 34.13 28.27 2bhk s GLU 43 CO -0.10 -0.94 0.80 0.00 -0.49 0.00 0.00 175.26 174.52 2bhk n ALA 44 N 6.13 2.00 -1.33 5.21 0.00 0.18 -4.82 120.51 127.88 2bhk n ALA 44 Ca -0.02 -0.54 0.17 0.00 0.00 0.00 0.00 53.44 53.04 2bhk n ALA 44 Cb 0.48 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 2bhk n ALA 44 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2bhk n PHE 45 N -2.84 -3.48 -3.47 0.00 3.72 -1.01 -1.89 117.46 108.49 2bhk n PHE 45 Ca -0.10 1.85 -0.13 0.00 -0.05 0.00 0.00 57.45 59.03 2bhk n PHE 45 Cb 0.82 -3.16 -0.03 0.00 -0.94 0.00 0.00 39.48 36.16 2bhk n PHE 45 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 2bhk s HIS 46 N -3.43 -0.52 -0.11 1.38 -3.43 -0.30 -4.55 115.29 104.33 2bhk s HIS 46 Ca 0.00 0.42 -0.03 0.00 -0.80 0.00 0.00 55.06 54.65 2bhk s HIS 46 Cb 0.00 0.49 -0.03 0.00 -1.43 0.00 0.00 32.58 31.61 2bhk s HIS 46 CO 0.00 -0.78 0.01 0.00 -2.00 0.00 0.00 174.74 171.96 2bhk s GLU 48 N -0.54 0.71 0.00 0.00 2.12 -0.29 -4.83 118.70 115.87 2bhk s GLU 48 Ca 0.09 0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.91 2bhk s GLU 48 Cb -0.12 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.61 2bhk s GLU 48 CO 0.02 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 2bhk n GLY 49 N 2.18 2.91 3.77 -1.50 0.00 -1.26 -0.75 105.19 110.55 2bhk n GLY 49 Ca -0.16 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 2bhk n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bhk s LEU 50 N 0.00 4.56 -0.50 0.99 1.43 0.64 -4.10 118.68 121.70 2bhk s LEU 50 Ca 0.00 1.55 -0.03 0.00 -1.03 0.00 0.00 54.13 54.62 2bhk s LEU 50 Cb 0.00 -3.23 0.13 0.00 0.03 0.00 0.00 46.19 43.12 2bhk s LEU 50 CO 0.00 0.18 0.30 0.00 0.23 0.00 0.00 176.35 177.06 2bhk s GLU 52 N 0.69 1.36 0.37 0.00 -1.05 -1.26 -4.40 118.70 114.41 2bhk s GLU 52 Ca 0.11 -0.75 -0.28 0.00 -0.15 0.00 0.00 54.97 53.90 2bhk s GLU 52 Cb -0.22 0.54 -0.11 0.00 -0.44 0.00 0.00 34.13 33.90 2bhk s GLU 52 CO -0.04 -0.58 1.45 1.19 0.95 0.00 0.00 175.26 178.23 2bhk n PHE 53 N -0.35 2.87 -3.03 4.83 3.72 -1.26 -3.68 117.46 120.55 2bhk n PHE 53 Ca -0.12 0.46 -0.34 0.00 -0.05 0.00 0.00 57.45 57.41 2bhk n PHE 53 Cb 0.63 -2.51 -0.06 0.00 -0.94 0.00 0.00 39.48 36.59 2bhk n PHE 53 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2bhk s PRO 54 N -2.06 4.15 -0.64 -1.08 0.04 -1.26 -5.09 135.00 129.06 2bhk s PRO 54 Ca 0.54 0.86 -0.22 0.00 0.04 0.00 0.00 61.00 62.22 2bhk s PRO 54 Cb -0.49 -2.50 0.07 0.00 0.04 0.00 0.00 34.50 31.62 2bhk s PRO 54 CO 0.64 0.18 0.92 -0.51 0.04 0.00 0.00 177.00 178.26 2bhk s LEU 55 N -2.74 4.54 0.52 -3.56 1.43 -1.24 -5.02 118.68 112.60 2bhk s LEU 55 Ca 0.53 -1.04 -0.23 0.00 -1.03 0.00 0.00 54.13 52.37 2bhk s LEU 55 Cb -0.12 -2.42 -0.06 0.00 0.03 0.00 0.00 46.19 43.62 2bhk s LEU 55 CO 0.18 -1.37 1.35 0.54 0.23 0.00 0.00 176.35 177.27 2bhk n ARG 56 N 7.46 1.79 -0.30 1.70 1.74 -1.26 -4.89 116.66 122.91 2bhk n ARG 56 Ca -0.05 0.65 0.17 0.00 -0.77 0.00 0.00 57.85 57.85 2bhk n ARG 56 Cb 0.45 -2.55 0.43 0.00 -1.02 0.00 0.00 32.46 29.77 2bhk n ARG 56 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2bhk h SER 57 N 1.63 0.57 0.08 0.55 4.64 -2.02 -1.67 113.55 117.33 2bhk h SER 57 Ca -0.50 0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2bhk h SER 57 Cb 1.30 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2bhk h SER 57 CO 0.58 0.21 -0.00 1.12 -0.87 0.00 0.00 176.83 177.87 2bhk h HIS 58 N 0.56 0.00 0.00 4.77 2.07 -1.96 0.31 115.15 120.90 2bhk h HIS 58 Ca 0.52 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.04 2bhk h HIS 58 Cb 1.07 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.05 2bhk h HIS 58 CO -0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 2bhk n LEU 59 N -3.21 0.00 -3.60 6.12 4.77 -0.63 -4.77 117.00 115.68 2bhk n LEU 59 Ca -0.03 0.28 -0.22 0.00 -0.03 0.00 0.00 56.01 56.01 2bhk n LEU 59 Cb 0.09 -0.28 0.01 0.00 -2.33 0.00 0.00 43.42 40.91 2bhk n LEU 59 CO 0.22 -0.02 -0.14 -0.62 -1.33 0.00 0.00 177.39 175.50 2bhk n GLU 60 N -1.28 -0.77 -2.33 3.23 1.02 0.10 -2.10 120.64 118.51 2bhk n GLU 60 Ca 0.14 0.19 -0.34 0.00 -0.02 0.00 0.00 57.16 57.12 2bhk n GLU 60 Cb 0.22 -1.29 -0.01 0.00 -0.02 0.00 0.00 31.44 30.34 2bhk n GLU 60 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2bhk s PRO 61 N -5.07 3.52 0.76 3.49 0.04 -1.26 -4.68 135.00 131.79 2bhk s PRO 61 Ca 0.14 1.43 -0.08 0.00 0.04 0.00 0.00 61.00 62.52 2bhk s PRO 61 Cb -0.08 -2.05 0.09 0.00 0.04 0.00 0.00 34.50 32.51 2bhk s PRO 61 CO 0.59 -0.68 1.08 0.95 0.04 0.00 0.00 177.00 178.98 2bhk s THR 62 N -2.00 2.18 0.12 1.26 -4.23 -1.26 -4.89 115.64 106.82 2bhk s THR 62 Ca 0.69 -0.23 -0.20 0.00 -1.18 0.00 0.00 61.69 60.77 2bhk s THR 62 Cb -0.19 -2.96 -0.08 0.00 1.34 0.00 0.00 72.50 70.61 2bhk s THR 62 CO 0.26 0.00 1.77 0.78 -0.54 0.00 0.00 174.62 176.89 2bhk h ASN 63 N -0.80 0.17 -0.84 3.99 2.35 -1.99 -1.76 115.58 116.71 2bhk h ASN 63 Ca -0.44 -0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.46 2bhk h ASN 63 Cb 1.30 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 39.57 2bhk h ASN 63 CO 0.56 0.13 0.55 -0.74 -1.65 0.00 0.00 177.43 176.28 2bhk h HIS 64 N 0.21 0.68 -0.46 1.19 2.76 -1.97 -1.16 115.15 116.41 2bhk h HIS 64 Ca 0.06 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.15 2bhk h HIS 64 Cb -0.02 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 2bhk h HIS 64 CO -0.07 0.25 -0.12 0.00 -1.30 0.00 0.00 177.93 176.69 2bhk h ALA 65 N 1.62 0.63 -0.55 5.26 0.00 -1.62 -0.25 119.26 124.34 2bhk h ALA 65 Ca 0.42 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2bhk h ALA 65 Cb 0.80 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2bhk h ALA 65 CO -0.17 0.53 0.21 0.28 0.00 0.00 0.00 179.25 180.10 2bhk h VAL 66 N 0.72 1.22 -0.09 0.00 2.07 -0.44 -0.77 116.25 118.97 2bhk h VAL 66 Ca 0.11 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2bhk h VAL 66 Cb 0.66 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2bhk h VAL 66 CO 0.05 0.27 0.01 0.40 0.02 0.00 0.00 177.57 178.32 2bhk h ILE 67 N 0.76 1.23 -0.84 4.57 2.04 -1.14 -2.13 117.51 121.99 2bhk h ILE 67 Ca 0.18 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2bhk h ILE 67 Cb 0.21 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 2bhk h ILE 67 CO -0.01 0.20 0.54 -0.61 0.00 0.00 0.00 178.15 178.26 2bhk h GLN 68 N -0.10 1.12 -0.28 2.37 4.15 -0.92 -1.07 115.11 120.38 2bhk h GLN 68 Ca 0.03 -0.08 -0.08 0.00 0.77 0.00 0.00 58.65 59.29 2bhk h GLN 68 Cb 0.31 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 2bhk h GLN 68 CO 0.00 0.76 -0.16 1.15 -1.93 0.00 0.00 178.83 178.65 2bhk h THR 69 N 1.15 1.24 0.12 2.39 2.02 -1.03 -0.37 112.91 118.44 2bhk h THR 69 Ca 0.31 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 2bhk h THR 69 Cb -0.10 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2bhk h THR 69 CO -0.06 0.35 -0.06 0.25 0.37 0.00 0.00 175.52 176.37 2bhk h LEU 70 N 0.45 -0.14 -1.08 2.58 5.85 -0.58 0.09 115.31 122.48 2bhk h LEU 70 Ca 0.08 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 2bhk h LEU 70 Cb 0.54 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2bhk h LEU 70 CO 0.03 0.17 0.02 0.24 -0.34 0.00 0.00 178.44 178.56 2bhk h MET 71 N -0.46 0.67 0.00 1.25 2.86 -1.16 -0.48 114.93 117.60 2bhk h MET 71 Ca -0.02 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.36 2bhk h MET 71 Cb 0.37 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2bhk h MET 71 CO 0.03 0.67 -0.51 -0.97 1.06 0.00 0.00 176.91 177.19 2bhk h ASN 72 N 0.63 0.00 0.67 1.22 -0.73 -0.96 -0.59 115.58 115.82 2bhk h ASN 72 Ca 0.13 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.21 2bhk h ASN 72 Cb 0.37 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.95 2bhk h ASN 72 CO 0.01 0.51 -0.43 -1.28 -0.37 0.00 0.00 177.43 175.88 2bhk h SER 73 N 0.00 0.00 0.54 1.15 0.87 0.52 -2.42 113.55 114.21 2bhk h SER 73 Ca -0.01 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.30 2bhk h SER 73 Cb 0.92 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.84 2bhk h SER 73 CO 0.07 0.43 -1.64 0.23 -0.53 0.00 0.00 176.83 175.39 2bhk n MET 74 N -3.71 0.63 -3.03 2.24 2.81 -0.34 -4.77 117.12 110.95 2bhk n MET 74 Ca -0.01 0.27 -0.04 0.00 -1.81 0.00 0.00 57.70 56.11 2bhk n MET 74 Cb 0.51 -1.79 -0.01 0.00 -0.71 0.00 0.00 33.22 31.21 2bhk n MET 74 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2bhk s ASP 75 N -5.98 -1.14 0.61 7.83 2.15 -0.26 -5.01 116.67 114.87 2bhk s ASP 75 Ca -0.04 -1.39 0.27 0.00 0.43 0.00 0.00 52.55 51.81 2bhk s ASP 75 Cb 0.08 1.71 1.35 0.00 -0.30 0.00 0.00 42.92 45.76 2bhk s ASP 75 CO 0.82 -0.12 1.77 -0.65 -0.17 0.00 0.00 175.17 176.82 2bhk h PRO 76 N 6.03 0.00 -0.02 4.34 0.11 -1.63 -0.67 132.00 140.15 2bhk h PRO 76 Ca 0.07 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.02 2bhk h PRO 76 Cb 1.12 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.25 2bhk h PRO 76 CO 0.08 0.00 -0.57 0.93 -0.21 0.00 0.00 178.00 178.23 2bhk h GLU 77 N 0.00 0.43 -0.17 1.05 5.08 -1.93 -3.34 114.58 115.70 2bhk h GLU 77 Ca 0.19 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2bhk h GLU 77 Cb 1.33 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 2bhk h GLU 77 CO -0.00 1.09 0.08 1.03 -1.00 0.00 0.00 179.01 180.21 2bhk h SER 78 N -0.06 0.22 -3.71 1.42 0.87 -1.48 -3.44 113.55 107.37 2bhk h SER 78 Ca -0.07 -0.13 -0.46 0.00 -1.23 0.00 0.00 61.79 59.91 2bhk h SER 78 Cb 1.27 -0.06 -0.32 0.00 -0.44 0.00 0.00 62.40 62.86 2bhk h SER 78 CO 0.11 0.29 -0.80 -0.89 -0.53 0.00 0.00 176.83 175.01 2bhk s THR 79 N -5.70 0.88 0.61 2.23 2.01 -1.12 -5.09 115.64 109.46 2bhk s THR 79 Ca -0.13 -0.39 -0.12 0.00 0.31 0.00 0.00 61.69 61.36 2bhk s THR 79 Cb 0.07 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 2bhk s THR 79 CO 0.70 0.28 1.03 -2.16 -0.69 0.00 0.00 174.62 173.77 2bhk s PRO 80 N 0.35 3.63 1.09 4.92 0.04 -1.26 -4.40 135.00 139.36 2bhk s PRO 80 Ca -0.06 0.77 -0.15 0.00 0.04 0.00 0.00 61.00 61.60 2bhk s PRO 80 Cb -0.11 -2.08 0.23 0.00 0.04 0.00 0.00 34.50 32.58 2bhk s PRO 80 CO 0.01 -0.55 1.10 -1.25 0.04 0.00 0.00 177.00 176.36 2bhk s PRO 81 N -5.07 -0.32 0.82 0.56 0.04 -1.26 -4.78 135.00 124.98 2bhk s PRO 81 Ca 0.55 0.22 -0.09 0.00 0.04 0.00 0.00 61.00 61.72 2bhk s PRO 81 Cb -0.11 -1.68 0.13 0.00 0.04 0.00 0.00 34.50 32.88 2bhk s PRO 81 CO 0.52 -3.17 1.14 0.95 0.04 0.00 0.00 177.00 176.48 2bhk s THR 82 N -3.01 2.11 0.06 1.26 -4.23 -1.26 -5.03 115.64 105.55 2bhk s THR 82 Ca 0.68 -0.21 0.08 0.00 -1.18 0.00 0.00 61.69 61.06 2bhk s THR 82 Cb -0.14 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.76 2bhk s THR 82 CO 0.57 0.00 -0.19 0.00 -0.54 0.00 0.00 174.62 174.46 2bhk s VAL 85 N 3.86 0.66 0.02 0.00 -7.23 -0.59 -4.54 120.40 112.58 2bhk s VAL 85 Ca 0.32 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.19 2bhk s VAL 85 Cb -0.12 -2.36 -0.07 0.00 0.56 0.00 0.00 36.38 34.40 2bhk s VAL 85 CO 0.21 -0.26 1.60 -2.84 -0.31 0.00 0.00 175.10 173.50 2bhk s PRO 86 N -3.96 4.21 -0.10 4.82 0.02 -1.26 -0.95 135.00 137.78 2bhk s PRO 86 Ca 0.30 2.21 0.17 0.00 0.02 0.00 0.00 61.00 63.70 2bhk s PRO 86 Cb 0.07 -3.72 -0.23 0.00 0.02 0.00 0.00 34.50 30.63 2bhk s PRO 86 CO 0.08 -0.74 0.39 0.25 -0.33 0.00 0.00 177.00 176.65 2bhk n THR 87 N 4.96 1.32 -3.78 0.99 -2.24 0.24 -4.87 114.28 110.89 2bhk n THR 87 Ca 0.16 -0.79 -0.13 0.00 -2.27 0.00 0.00 64.05 61.01 2bhk n THR 87 Cb 0.42 -0.64 -0.14 0.00 -2.10 0.00 0.00 70.33 67.87 2bhk n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bhk s ARG 88 N -2.66 0.07 0.17 -0.78 1.70 -1.11 -4.96 118.95 111.37 2bhk s ARG 88 Ca -0.07 0.25 0.08 0.00 -0.47 0.00 0.00 55.73 55.52 2bhk s ARG 88 Cb 0.08 -0.12 -0.04 0.00 -0.57 0.00 0.00 34.95 34.30 2bhk s ARG 88 CO 0.83 -0.11 -0.16 -0.51 -1.08 0.00 0.00 175.30 174.27 2bhk s LEU 89 N 0.78 2.47 0.26 -1.89 1.02 -1.26 0.97 118.68 121.02 2bhk s LEU 89 Ca -0.06 -0.90 0.10 0.00 0.02 0.00 0.00 54.13 53.29 2bhk s LEU 89 Cb -0.08 -0.72 -0.05 0.00 0.02 0.00 0.00 46.19 45.36 2bhk s LEU 89 CO -0.03 -0.10 -0.16 -0.94 0.02 0.00 0.00 176.35 175.14 2bhk s SER 90 N -2.81 3.15 0.64 2.29 1.04 0.68 -4.76 113.70 113.92 2bhk s SER 90 Ca 0.16 -1.05 0.01 0.00 0.48 0.00 0.00 55.95 55.55 2bhk s SER 90 Cb -0.04 -0.23 0.09 0.00 0.10 0.00 0.00 66.02 65.93 2bhk s SER 90 CO 0.06 -0.09 0.88 -2.16 0.98 0.00 0.00 173.24 172.91 2bhk s PRO 91 N -3.59 2.09 0.03 4.02 0.04 -1.26 -0.90 135.00 135.43 2bhk s PRO 91 Ca 0.27 -1.04 0.00 0.00 0.04 0.00 0.00 61.00 60.28 2bhk s PRO 91 Cb -0.02 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 2bhk s PRO 91 CO 0.12 -1.09 -0.04 0.96 0.04 0.00 0.00 177.00 176.98 2bhk s ILE 92 N -2.94 0.24 -0.03 0.56 -4.36 -0.73 -4.76 121.20 109.18 2bhk s ILE 92 Ca 0.62 -1.16 0.02 0.00 -0.26 0.00 0.00 60.65 59.87 2bhk s ILE 92 Cb -0.07 -0.63 -0.03 0.00 1.25 0.00 0.00 42.46 42.97 2bhk s ILE 92 CO 0.41 -0.59 -0.06 -0.44 0.24 0.00 0.00 174.94 174.49 2bhk s SER 93 N -1.84 4.66 -0.12 4.36 0.01 -1.26 0.51 113.70 120.02 2bhk s SER 93 Ca -0.09 -0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.11 2bhk s SER 93 Cb -0.06 -1.13 -0.00 0.00 0.21 0.00 0.00 66.02 65.04 2bhk s SER 93 CO -0.03 0.32 -0.20 -0.63 0.41 0.00 0.00 173.24 173.11 2bhk s ILE 94 N -0.92 2.42 -0.34 1.44 1.01 0.50 -4.46 121.20 120.85 2bhk s ILE 94 Ca 0.15 -0.88 -0.16 0.00 0.00 0.00 0.00 60.65 59.76 2bhk s ILE 94 Cb -0.11 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.38 2bhk s ILE 94 CO 0.05 0.54 0.41 -0.22 0.00 0.00 0.00 174.94 175.72 2bhk s LEU 95 N 0.42 4.40 0.24 2.97 2.96 0.25 -0.20 118.68 129.71 2bhk s LEU 95 Ca -0.14 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.60 2bhk s LEU 95 Cb -0.17 -2.42 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 2bhk s LEU 95 CO 0.06 -0.37 0.23 0.72 -1.32 0.00 0.00 176.35 175.67 2bhk s PHE 96 N 2.13 1.14 -0.25 5.38 -0.71 -0.03 -0.71 117.98 124.93 2bhk s PHE 96 Ca 0.14 -1.33 -0.04 0.00 -1.04 0.00 0.00 56.93 54.66 2bhk s PHE 96 Cb -0.16 -0.44 0.01 0.00 -1.21 0.00 0.00 43.02 41.22 2bhk s PHE 96 CO 0.12 -0.77 -0.02 0.42 -1.34 0.00 0.00 175.22 173.63 2bhk s ILE 97 N -3.94 3.29 0.00 -4.49 1.01 -0.20 -0.39 121.20 116.49 2bhk s ILE 97 Ca 0.36 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.22 2bhk s ILE 97 Cb 0.05 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.88 2bhk s ILE 97 CO 0.15 0.23 0.00 -0.90 0.00 0.00 0.00 174.94 174.42 2bhk n ASP 98 N 4.76 -0.15 -0.02 3.58 5.68 -0.49 -4.62 116.55 125.28 2bhk n ASP 98 Ca -0.16 -0.83 -0.10 0.00 -0.50 0.00 0.00 54.79 53.20 2bhk n ASP 98 Cb 0.48 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.42 2bhk n ASP 98 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2bhk h SER 99 N -0.15 0.07 0.15 -1.12 4.64 -1.99 -2.34 113.55 112.81 2bhk h SER 99 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2bhk h SER 99 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2bhk h SER 99 CO 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 2bhk n ALA 100 N -2.18 1.79 -0.93 5.18 0.00 -1.26 -4.81 120.51 118.29 2bhk n ALA 100 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2bhk n ALA 100 Cb 0.05 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2bhk n ALA 100 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2bhk n ASN 101 N -1.19 -2.80 -4.83 0.00 4.05 -0.88 -5.03 115.26 104.57 2bhk n ASN 101 Ca 0.07 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.77 2bhk n ASN 101 Cb 0.08 -0.47 -0.07 0.00 1.23 0.00 0.00 39.78 40.55 2bhk n ASN 101 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 2bhk s ASN 102 N -2.65 6.87 -0.45 1.20 0.01 -1.26 -4.83 114.94 113.82 2bhk s ASN 102 Ca 0.00 1.52 -0.16 0.00 -0.71 0.00 0.00 52.86 53.51 2bhk s ASN 102 Cb 0.00 -2.47 0.04 0.00 0.41 0.00 0.00 41.25 39.23 2bhk s ASN 102 CO 0.00 -0.30 0.39 -0.69 -1.51 0.00 0.00 177.10 174.99 2bhk s VAL 103 N -2.11 5.18 0.00 1.60 1.01 -1.26 -1.39 120.40 123.42 2bhk s VAL 103 Ca 0.59 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 2bhk s VAL 103 Cb -0.09 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2bhk s VAL 103 CO 0.15 -0.48 0.08 -0.69 0.00 0.00 0.00 175.10 174.16 2bhk s VAL 104 N 1.84 4.74 -0.31 2.92 1.01 0.48 -4.97 120.40 126.10 2bhk s VAL 104 Ca 0.07 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.64 2bhk s VAL 104 Cb -0.21 -3.17 0.09 0.00 0.00 0.00 0.00 36.38 33.09 2bhk s VAL 104 CO 0.10 0.34 0.05 -0.47 0.00 0.00 0.00 175.10 175.12 2bhk s TYR 105 N -1.21 2.77 -0.12 5.22 5.04 -1.26 -0.85 117.35 126.94 2bhk s TYR 105 Ca 0.23 -2.34 -0.03 0.00 -2.44 0.00 0.00 57.07 52.50 2bhk s TYR 105 Cb -0.12 -2.27 -0.03 0.00 0.35 0.00 0.00 41.96 39.89 2bhk s TYR 105 CO 0.15 -0.90 -0.03 0.21 -1.34 0.00 0.00 175.55 173.64 2bhk s LYS 106 N 1.25 3.36 -0.11 4.97 2.20 0.72 -4.88 119.74 127.25 2bhk s LYS 106 Ca 0.08 -0.48 -0.14 0.00 -0.36 0.00 0.00 55.97 55.07 2bhk s LYS 106 Cb -0.18 -2.85 -0.05 0.00 -1.51 0.00 0.00 37.83 33.24 2bhk s LYS 106 CO -0.15 0.43 0.33 -1.14 -0.36 0.00 0.00 175.35 174.47 2bhk s GLN 107 N -0.16 4.12 -0.16 4.03 0.74 -1.26 0.19 119.66 127.16 2bhk s GLN 107 Ca 0.04 0.20 -0.02 0.00 0.05 0.00 0.00 55.36 55.63 2bhk s GLN 107 Cb -0.13 -3.36 -0.01 0.00 1.10 0.00 0.00 33.01 30.61 2bhk s GLN 107 CO 0.02 0.37 -0.09 0.71 -0.55 0.00 0.00 175.29 175.75 2bhk s TYR 108 N 0.02 2.89 0.59 1.67 1.51 0.18 -4.97 117.35 119.25 2bhk s TYR 108 Ca 0.19 -0.72 -0.14 0.00 -1.01 0.00 0.00 57.07 55.39 2bhk s TYR 108 Cb -0.14 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 2bhk s TYR 108 CO 0.07 -0.31 1.03 -1.21 -1.11 0.00 0.00 175.55 174.02 2bhk s GLU 109 N 0.74 3.51 -1.27 -0.62 0.41 -1.26 -1.78 118.70 118.43 2bhk s GLU 109 Ca -0.04 0.98 -0.09 0.00 -0.41 0.00 0.00 54.97 55.40 2bhk s GLU 109 Cb -0.15 -2.07 -0.00 0.00 -1.78 0.00 0.00 34.13 30.13 2bhk s GLU 109 CO 0.02 -0.64 0.63 -0.25 -0.49 0.00 0.00 175.26 174.53 2bhk n ASP 110 N -2.25 -2.70 -0.07 -0.19 8.00 -1.25 -4.88 116.55 113.21 2bhk n ASP 110 Ca 0.07 -0.98 -0.07 0.00 0.71 0.00 0.00 54.79 54.52 2bhk n ASP 110 Cb 0.54 -3.38 -0.12 0.00 -0.02 0.00 0.00 41.12 38.14 2bhk n ASP 110 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2bhk n MET 111 N -4.28 1.53 -5.12 -1.24 2.81 -0.09 -4.92 117.12 105.81 2bhk n MET 111 Ca -0.21 -0.01 -0.32 0.00 -1.81 0.00 0.00 57.70 55.35 2bhk n MET 111 Cb 0.64 -1.39 -0.16 0.00 -0.71 0.00 0.00 33.22 31.61 2bhk n MET 111 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2bhk s VAL 112 N -2.38 2.34 -0.22 2.03 1.01 -0.08 -4.68 120.40 118.42 2bhk s VAL 112 Ca -0.07 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.68 2bhk s VAL 112 Cb 0.05 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.53 2bhk s VAL 112 CO 0.62 0.56 1.04 -0.69 0.00 0.00 0.00 175.10 176.63 2bhk s VAL 113 N 0.10 4.68 -0.13 2.92 1.01 -0.79 -0.23 120.40 127.96 2bhk s VAL 113 Ca -0.10 2.03 -0.01 0.00 0.00 0.00 0.00 61.98 63.89 2bhk s VAL 113 Cb -0.16 -4.31 -0.24 0.00 0.00 0.00 0.00 36.38 31.67 2bhk s VAL 113 CO 0.06 -0.17 0.34 -0.62 0.00 0.00 0.00 175.10 174.71 2bhk n GLU 114 N 6.24 0.72 -3.61 2.72 -0.58 0.27 -4.88 120.64 121.52 2bhk n GLU 114 Ca 0.12 0.24 -0.15 0.00 -0.42 0.00 0.00 57.16 56.95 2bhk n GLU 114 Cb 0.46 -1.69 -0.07 0.00 -0.57 0.00 0.00 31.44 29.57 2bhk n GLU 114 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2bhk s SER 115 N -6.73 -0.44 0.12 1.62 1.04 -0.92 -4.95 113.70 103.43 2bhk s SER 115 Ca -0.20 0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.63 2bhk s SER 115 Cb 0.07 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 2bhk s SER 115 CO 0.76 -0.60 0.04 0.00 0.98 0.00 0.00 173.24 174.42 2bhk s GLY 117 N -2.59 0.39 -0.21 0.00 0.00 -0.12 -4.51 107.32 100.28 2bhk s GLY 117 Ca 0.28 -0.72 -0.09 0.00 0.00 0.00 0.00 44.72 44.18 2bhk s GLY 117 CO 0.20 -0.39 0.11 0.00 0.00 0.00 0.00 173.10 173.01