#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bqa s VAL 2 N 0.00 4.10 0.59 3.15 1.01 -1.26 -1.29 120.40 126.71 2bqa s VAL 2 Ca 0.00 -1.09 -0.17 0.00 0.00 0.00 0.00 61.98 60.72 2bqa s VAL 2 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2bqa s VAL 2 CO 0.00 -0.25 1.11 -0.36 0.00 0.00 0.00 175.10 175.60 2bqa s PHE 3 N 1.45 2.72 0.25 5.22 0.40 -0.48 -5.01 117.98 122.53 2bqa s PHE 3 Ca 0.00 1.54 -0.07 0.00 -0.60 0.00 0.00 56.93 57.81 2bqa s PHE 3 Cb -0.20 -3.19 -0.06 0.00 0.51 0.00 0.00 43.02 40.08 2bqa s PHE 3 CO 0.04 -1.50 0.54 -1.21 0.70 0.00 0.00 175.22 173.79 2bqa s GLU 4 N -3.70 3.71 0.09 0.44 2.02 -1.26 -4.89 118.70 115.11 2bqa s GLU 4 Ca 0.69 0.13 -0.22 0.00 0.02 0.00 0.00 54.97 55.59 2bqa s GLU 4 Cb -0.21 -2.66 -0.07 0.00 0.10 0.00 0.00 34.13 31.29 2bqa s GLU 4 CO 0.33 0.28 1.37 -0.09 0.02 0.00 0.00 175.26 177.17 2bqa h ARG 5 N 2.16 -0.22 -0.18 1.61 2.43 -1.96 -1.50 114.38 116.72 2bqa h ARG 5 Ca -0.47 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 58.63 2bqa h ARG 5 Cb 1.18 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 2bqa h ARG 5 CO 0.68 -0.14 -0.24 0.00 -1.51 0.00 0.00 179.97 178.75 2bqa h GLU 7 N 0.30 0.53 -0.39 0.00 4.81 -1.86 -1.57 114.58 116.40 2bqa h GLU 7 Ca 0.05 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2bqa h GLU 7 Cb 0.59 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2bqa h GLU 7 CO 0.04 0.35 0.09 1.25 -0.73 0.00 0.00 179.01 180.02 2bqa h LEU 8 N 0.55 0.60 -0.37 1.64 5.85 -0.92 -2.34 115.31 120.32 2bqa h LEU 8 Ca 0.19 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.74 2bqa h LEU 8 Cb 0.02 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 2bqa h LEU 8 CO -0.09 0.68 0.04 0.00 -0.34 0.00 0.00 178.44 178.73 2bqa h ALA 9 N 0.94 0.37 -0.60 1.25 0.00 -0.85 0.25 119.26 120.63 2bqa h ALA 9 Ca 0.12 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2bqa h ALA 9 Cb 0.31 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2bqa h ALA 9 CO 0.00 -0.36 0.13 0.00 0.00 0.00 0.00 179.25 179.02 2bqa h ARG 10 N 0.15 0.95 -0.39 0.00 3.08 -1.25 -1.47 114.38 115.45 2bqa h ARG 10 Ca 0.18 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 2bqa h ARG 10 Cb 0.23 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2bqa h ARG 10 CO -0.27 0.86 0.09 1.15 -1.07 0.00 0.00 179.97 180.74 2bqa h THR 11 N 0.91 1.23 -0.55 2.04 2.02 -0.80 -0.87 112.91 116.88 2bqa h THR 11 Ca 0.19 -0.77 -0.07 0.00 0.77 0.00 0.00 66.41 66.53 2bqa h THR 11 Cb 0.35 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 2bqa h THR 11 CO 0.00 0.27 0.08 -0.07 0.37 0.00 0.00 175.52 176.17 2bqa h LEU 12 N 0.48 0.84 -0.20 2.58 3.38 -0.77 -1.53 115.31 120.08 2bqa h LEU 12 Ca 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2bqa h LEU 12 Cb 0.31 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2bqa h LEU 12 CO 0.00 0.86 0.08 0.50 0.09 0.00 0.00 178.44 179.97 2bqa h LYS 13 N 0.84 0.30 -0.44 1.13 3.64 -0.94 -1.98 116.57 119.12 2bqa h LYS 13 Ca 0.17 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2bqa h LYS 13 Cb 0.39 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2bqa h LYS 13 CO 0.01 0.36 0.29 -0.09 -2.27 0.00 0.00 179.45 177.76 2bqa h ARG 14 N 0.17 0.45 -0.03 1.90 2.43 -0.87 -1.56 114.38 116.88 2bqa h ARG 14 Ca 0.07 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2bqa h ARG 14 Cb 0.17 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2bqa h ARG 14 CO -0.01 0.30 0.00 1.28 -1.51 0.00 0.00 179.97 180.03 2bqa n LEU 15 N -4.48 0.39 -0.27 3.80 4.77 -0.60 -4.92 117.00 115.69 2bqa n LEU 15 Ca 0.05 -0.16 -0.02 0.00 -0.03 0.00 0.00 56.01 55.85 2bqa n LEU 15 Cb 0.16 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2bqa n LEU 15 CO 0.35 0.08 -0.02 0.61 -1.33 0.00 0.00 177.39 177.07 2bqa n GLY 16 N 0.90 0.31 0.13 -0.72 0.00 -0.58 -4.97 105.19 100.25 2bqa n GLY 16 Ca 0.16 -0.79 0.09 0.00 0.00 0.00 0.00 46.02 45.48 2bqa n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2bqa h MET 17 N -0.01 0.00 -6.14 1.61 2.86 -1.56 -3.41 114.93 108.28 2bqa h MET 17 Ca -0.05 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.03 2bqa h MET 17 Cb 1.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 2bqa h MET 17 CO 0.06 0.09 1.35 0.34 1.06 0.00 0.00 176.91 179.81 2bqa s ASP 18 N -5.66 5.63 0.00 1.22 2.15 -1.26 -1.91 116.67 116.84 2bqa s ASP 18 Ca 0.01 1.26 0.00 0.00 0.43 0.00 0.00 52.55 54.25 2bqa s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2bqa s ASP 18 CO 0.77 -1.92 0.00 0.61 -0.17 0.00 0.00 175.17 174.46 2bqa n GLY 19 N 5.56 0.62 3.67 2.66 0.00 0.08 -4.90 105.19 112.88 2bqa n GLY 19 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2bqa n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bqa s TYR 20 N -2.11 1.65 -1.51 1.61 5.04 -0.80 -1.61 117.35 119.61 2bqa s TYR 20 Ca 0.00 -0.20 -0.13 0.00 -2.44 0.00 0.00 57.07 54.30 2bqa s TYR 20 Cb 0.00 -4.14 0.09 0.00 0.35 0.00 0.00 41.96 38.26 2bqa s TYR 20 CO 0.00 -4.97 0.82 0.54 -1.34 0.00 0.00 175.55 170.60 2bqa n ARG 21 N 7.02 -4.61 -0.99 4.97 5.12 -1.26 -1.05 116.66 125.85 2bqa n ARG 21 Ca 0.19 0.55 0.00 0.00 -1.93 0.00 0.00 57.85 56.66 2bqa n ARG 21 Cb 0.41 -5.38 0.00 0.00 -1.16 0.00 0.00 32.46 26.33 2bqa n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bqa n GLY 22 N -1.51 0.60 3.52 -0.13 0.00 -0.63 -5.00 105.19 102.03 2bqa n GLY 22 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2bqa n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bqa s ILE 23 N -2.46 5.23 0.71 -0.61 1.01 -0.21 -4.91 121.20 119.97 2bqa s ILE 23 Ca 0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 60.65 60.27 2bqa s ILE 23 Cb 0.00 -3.81 0.03 0.00 0.01 0.00 0.00 42.46 38.69 2bqa s ILE 23 CO 0.00 -0.12 1.16 -0.94 0.00 0.00 0.00 174.94 175.05 2bqa s SER 24 N 1.72 4.52 0.27 3.58 1.04 -1.26 -0.74 113.70 122.84 2bqa s SER 24 Ca 0.08 2.19 -0.03 0.00 0.48 0.00 0.00 55.95 58.67 2bqa s SER 24 Cb -0.17 -2.57 0.37 0.00 0.10 0.00 0.00 66.02 63.75 2bqa s SER 24 CO 0.11 -2.03 1.92 0.25 0.98 0.00 0.00 173.24 174.47 2bqa h LEU 25 N -0.23 1.06 -1.79 2.42 5.85 -1.90 -1.19 115.31 119.52 2bqa h LEU 25 Ca -0.47 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.30 2bqa h LEU 25 Cb 1.27 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 2bqa h LEU 25 CO 0.51 0.73 0.25 0.00 -0.34 0.00 0.00 178.44 179.59 2bqa h ALA 26 N 1.43 2.02 -0.08 1.25 0.00 -1.91 -0.48 119.26 121.49 2bqa h ALA 26 Ca 0.38 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.04 2bqa h ALA 26 Cb -0.00 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2bqa h ALA 26 CO -0.12 -0.10 -0.88 -0.91 0.00 0.00 0.00 179.25 177.25 2bqa h ASN 27 N 0.26 0.86 -0.06 0.00 2.35 -1.55 -1.94 115.58 115.50 2bqa h ASN 27 Ca 0.16 -0.61 -0.08 0.00 -0.55 0.00 0.00 56.30 55.22 2bqa h ASN 27 Cb 0.33 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2bqa h ASN 27 CO -0.03 1.41 -0.19 -0.50 -1.65 0.00 0.00 177.43 176.47 2bqa h TRP 28 N 0.44 0.47 -0.39 1.19 4.06 -1.05 -1.35 115.95 119.32 2bqa h TRP 28 Ca -0.08 -0.08 -0.07 0.00 2.06 0.00 0.00 58.89 60.72 2bqa h TRP 28 Cb 1.51 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 29.54 2bqa h TRP 28 CO 0.09 0.60 -0.02 0.52 -3.56 0.00 0.00 178.44 176.06 2bqa h MET 29 N 0.40 0.71 -0.78 0.49 2.86 -1.04 -1.42 114.93 116.14 2bqa h MET 29 Ca 0.07 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 2bqa h MET 29 Cb 0.55 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 2bqa h MET 29 CO 0.04 0.81 0.37 0.00 1.06 0.00 0.00 176.91 179.19 2bqa h LEU 31 N 1.10 -0.11 -1.09 0.00 5.85 -1.07 -2.55 115.31 117.44 2bqa h LEU 31 Ca 0.27 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2bqa h LEU 31 Cb 0.12 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2bqa h LEU 31 CO -0.03 0.06 0.46 0.00 -0.34 0.00 0.00 178.44 178.59 2bqa h ALA 32 N 0.62 1.32 -0.04 1.25 0.00 -1.09 0.60 119.26 121.92 2bqa h ALA 32 Ca -0.01 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2bqa h ALA 32 Cb 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2bqa h ALA 32 CO 0.02 0.58 -0.03 -0.22 0.00 0.00 0.00 179.25 179.60 2bqa h LYS 33 N 1.10 -0.03 0.00 0.00 1.63 -1.13 -1.23 116.57 116.92 2bqa h LYS 33 Ca 0.28 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.94 2bqa h LYS 33 Cb -0.02 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 2bqa h LYS 33 CO -0.05 -0.02 -0.74 -1.49 -3.45 0.00 0.00 179.45 173.70 2bqa h TRP 34 N -0.03 0.00 0.03 1.91 4.06 -1.26 -0.38 115.95 120.27 2bqa h TRP 34 Ca 0.03 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.87 2bqa h TRP 34 Cb 0.07 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.24 2bqa h TRP 34 CO -0.12 0.66 -0.45 0.93 -3.56 0.00 0.00 178.44 175.90 2bqa h GLU 35 N 0.00 0.26 0.00 0.49 4.39 -0.82 -3.42 114.58 115.48 2bqa h GLU 35 Ca -0.02 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2bqa h GLU 35 Cb 1.52 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.27 2bqa h GLU 35 CO 0.08 1.05 0.00 -1.13 -1.16 0.00 0.00 179.01 177.85 2bqa n SER 36 N -4.35 0.13 -1.31 1.42 3.41 -0.53 -4.86 113.62 107.54 2bqa n SER 36 Ca -0.11 -0.51 -0.11 0.00 -0.26 0.00 0.00 58.87 57.89 2bqa n SER 36 Cb 0.62 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 2bqa n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bqa n GLY 37 N 0.19 -0.02 2.64 5.00 0.00 -0.15 -2.96 105.19 109.90 2bqa n GLY 37 Ca 0.00 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 2bqa n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bqa n TYR 38 N -3.97 -1.37 -3.84 1.61 4.01 -1.14 -4.81 117.16 107.64 2bqa n TYR 38 Ca -0.11 0.29 -0.36 0.00 -0.16 0.00 0.00 57.90 57.57 2bqa n TYR 38 Cb 0.58 -3.77 -0.13 0.00 -0.31 0.00 0.00 39.34 35.71 2bqa n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2bqa s ASN 39 N -2.58 4.68 0.51 7.72 2.47 -1.15 -1.38 114.94 125.21 2bqa s ASN 39 Ca 0.17 -0.46 0.30 0.00 0.42 0.00 0.00 52.86 53.29 2bqa s ASN 39 Cb -0.07 -1.81 1.26 0.00 -1.45 0.00 0.00 41.25 39.17 2bqa s ASN 39 CO 0.21 -0.07 1.95 0.71 -3.72 0.00 0.00 177.10 176.18 2bqa h THR 40 N 5.74 0.27 -0.43 -5.21 1.35 -1.52 -3.13 112.91 109.98 2bqa h THR 40 Ca -0.38 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 2bqa h THR 40 Cb 1.15 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 2bqa h THR 40 CO 0.59 0.09 0.00 -2.11 -0.25 0.00 0.00 175.52 173.85 2bqa n ARG 41 N -3.27 2.45 -1.80 4.72 1.85 -1.26 -4.11 116.66 115.24 2bqa n ARG 41 Ca -0.00 -2.21 -0.42 0.00 -1.00 0.00 0.00 57.85 54.22 2bqa n ARG 41 Cb 0.33 -1.51 -0.03 0.00 -1.05 0.00 0.00 32.46 30.21 2bqa n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bqa s ALA 42 N -1.44 3.88 -0.00 2.89 0.00 -1.19 -4.78 121.76 121.13 2bqa s ALA 42 Ca 0.40 1.51 0.03 0.00 0.00 0.00 0.00 51.96 53.90 2bqa s ALA 42 Cb 0.23 -3.67 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 2bqa s ALA 42 CO 0.31 -0.87 -0.10 0.95 0.00 0.00 0.00 175.76 176.05 2bqa s THR 43 N 1.15 0.78 -0.07 0.00 -4.23 -1.26 -0.29 115.64 111.72 2bqa s THR 43 Ca 0.73 -0.49 -0.02 0.00 -1.18 0.00 0.00 61.69 60.73 2bqa s THR 43 Cb -0.48 -0.66 0.04 0.00 1.34 0.00 0.00 72.50 72.74 2bqa s THR 43 CO 0.32 0.17 0.05 0.21 -0.54 0.00 0.00 174.62 174.83 2bqa s ASN 44 N -0.36 1.49 -0.02 3.99 2.47 -0.24 -4.96 114.94 117.31 2bqa s ASN 44 Ca 0.03 -0.10 -0.22 0.00 0.42 0.00 0.00 52.86 52.99 2bqa s ASN 44 Cb -0.04 -0.23 -0.05 0.00 -1.45 0.00 0.00 41.25 39.48 2bqa s ASN 44 CO -0.00 -0.26 0.63 -0.47 -3.72 0.00 0.00 177.10 173.28 2bqa s TYR 45 N 2.12 3.65 -0.53 0.43 5.04 -1.26 -0.39 117.35 126.40 2bqa s TYR 45 Ca 0.04 1.21 -0.07 0.00 -2.44 0.00 0.00 57.07 55.81 2bqa s TYR 45 Cb -0.13 -2.68 0.14 0.00 0.35 0.00 0.00 41.96 39.64 2bqa s TYR 45 CO -0.05 0.26 0.39 -0.80 -1.34 0.00 0.00 175.55 174.01 2bqa s ASN 46 N 0.15 5.63 0.45 4.32 0.01 0.13 -4.94 114.94 120.69 2bqa s ASN 46 Ca 0.33 -2.23 0.16 0.00 -0.71 0.00 0.00 52.86 50.41 2bqa s ASN 46 Cb -0.18 -1.97 1.08 0.00 0.41 0.00 0.00 41.25 40.60 2bqa s ASN 46 CO 0.17 -0.58 1.97 0.00 -1.51 0.00 0.00 177.10 177.15 2bqa h ALA 47 N 8.00 2.10 -0.84 0.60 0.00 -1.96 0.62 119.26 127.77 2bqa h ALA 47 Ca -0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2bqa h ALA 47 Cb 1.04 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2bqa h ALA 47 CO 0.79 -0.25 0.49 0.78 0.00 0.00 0.00 179.25 181.06 2bqa h GLY 48 N 0.35 1.23 0.00 0.00 0.00 -1.95 -3.30 103.07 99.41 2bqa h GLY 48 Ca 0.29 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2bqa h GLY 48 CO -0.08 0.51 0.00 2.09 0.00 0.00 0.00 176.54 179.07 2bqa n ASP 49 N -4.42 1.55 -1.91 0.19 5.75 -1.08 -5.02 116.55 111.62 2bqa n ASP 49 Ca 0.09 -1.64 -0.17 0.00 -0.01 0.00 0.00 54.79 53.05 2bqa n ASP 49 Cb 0.07 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 2bqa n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bqa n ARG 50 N -0.32 -1.37 -4.03 0.11 1.74 0.19 -4.76 116.66 108.22 2bqa n ARG 50 Ca 0.00 0.88 -0.22 0.00 -0.77 0.00 0.00 57.85 57.74 2bqa n ARG 50 Cb 0.20 -5.32 -0.05 0.00 -1.02 0.00 0.00 32.46 26.26 2bqa n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2bqa s SER 51 N -2.29 4.91 -0.00 0.55 1.04 -1.19 -4.51 113.70 112.21 2bqa s SER 51 Ca 0.00 -0.64 0.04 0.00 0.48 0.00 0.00 55.95 55.82 2bqa s SER 51 Cb 0.00 -0.86 -0.01 0.00 0.10 0.00 0.00 66.02 65.25 2bqa s SER 51 CO 0.00 -0.27 -0.11 -0.89 0.98 0.00 0.00 173.24 172.94 2bqa s THR 52 N -2.36 0.90 -0.20 2.02 2.01 -1.26 -0.69 115.64 116.06 2bqa s THR 52 Ca 0.38 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.70 2bqa s THR 52 Cb -0.04 -0.77 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 2bqa s THR 52 CO 0.24 0.20 0.17 -1.81 -0.69 0.00 0.00 174.62 172.73 2bqa s ASP 53 N -0.42 6.24 -0.07 3.53 1.01 0.48 -1.47 116.67 125.97 2bqa s ASP 53 Ca 0.04 0.27 0.04 0.00 0.71 0.00 0.00 52.55 53.61 2bqa s ASP 53 Cb -0.05 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 41.75 2bqa s ASP 53 CO -0.00 0.14 -0.20 -0.31 0.21 0.00 0.00 175.17 175.00 2bqa s TYR 54 N 0.53 2.58 0.00 4.23 1.51 0.16 -1.08 117.35 125.28 2bqa s TYR 54 Ca 0.10 -0.60 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 2bqa s TYR 54 Cb -0.12 -1.66 0.00 0.00 -0.11 0.00 0.00 41.96 40.07 2bqa s TYR 54 CO 0.00 -0.14 0.00 0.41 -1.11 0.00 0.00 175.55 174.72 2bqa n GLY 55 N 2.95 -1.97 0.33 0.71 0.00 0.61 -1.42 105.19 106.40 2bqa n GLY 55 Ca -0.18 -1.45 0.07 0.00 0.00 0.00 0.00 46.02 44.47 2bqa n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqa h ILE 56 N 0.00 1.02 -0.45 -0.61 2.10 -1.70 -1.37 117.51 116.50 2bqa h ILE 56 Ca 0.00 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.75 2bqa h ILE 56 Cb 0.00 0.42 0.00 0.00 -1.09 0.00 0.00 36.82 36.15 2bqa h ILE 56 CO 0.00 0.10 0.00 0.49 -1.08 0.00 0.00 178.15 177.66 2bqa n PHE 57 N -4.47 0.59 -3.64 2.19 3.72 -1.26 -3.94 117.46 110.64 2bqa n PHE 57 Ca 0.07 -0.36 -0.23 0.00 -0.05 0.00 0.00 57.45 56.88 2bqa n PHE 57 Cb 0.20 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.75 2bqa n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2bqa n GLN 58 N 1.24 -1.28 -3.07 -1.08 1.13 -0.52 -4.91 117.38 108.89 2bqa n GLN 58 Ca 0.18 0.78 -0.40 0.00 -1.94 0.00 0.00 57.00 55.62 2bqa n GLN 58 Cb 0.54 -3.46 -0.05 0.00 0.11 0.00 0.00 30.24 27.39 2bqa n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bqa s ILE 59 N -3.15 5.03 0.07 5.09 1.01 -0.50 -4.54 121.20 124.21 2bqa s ILE 59 Ca 0.16 1.41 -0.30 0.00 0.00 0.00 0.00 60.65 61.92 2bqa s ILE 59 Cb -0.07 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 2bqa s ILE 59 CO 0.87 0.27 0.99 0.21 0.00 0.00 0.00 174.94 177.28 2bqa s ASN 60 N 0.68 7.42 0.00 3.58 3.84 -1.26 -0.66 114.94 128.53 2bqa s ASN 60 Ca 0.36 1.78 0.15 0.00 0.21 0.00 0.00 52.86 55.36 2bqa s ASN 60 Cb -0.18 -2.58 0.63 0.00 -0.55 0.00 0.00 41.25 38.57 2bqa s ASN 60 CO 0.18 -0.17 1.47 -1.54 -2.79 0.00 0.00 177.10 174.25 2bqa n SER 61 N 3.21 0.00 0.08 -4.21 3.41 -0.54 -1.83 113.62 113.74 2bqa n SER 61 Ca 0.04 0.50 -0.10 0.00 -0.26 0.00 0.00 58.87 59.05 2bqa n SER 61 Cb 0.49 -0.50 -0.07 0.00 -0.26 0.00 0.00 64.21 63.87 2bqa n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2bqa h ARG 62 N 0.00 0.16 0.00 4.33 2.43 -1.84 -3.40 114.38 116.07 2bqa h ARG 62 Ca 0.00 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2bqa h ARG 62 Cb 0.25 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2bqa h ARG 62 CO 0.00 1.04 -0.84 0.66 -1.51 0.00 0.00 179.97 179.32 2bqa n TYR 63 N -3.54 0.00 -0.04 2.20 4.02 -1.19 0.64 117.16 119.25 2bqa n TYR 63 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 2bqa n TYR 63 Cb 0.90 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 40.09 2bqa n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 2bqa n TRP 64 N -1.71 0.00 -4.01 -0.72 7.02 -0.76 -0.25 117.44 117.00 2bqa n TRP 64 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 2bqa n TRP 64 Cb 0.38 -0.57 -0.09 0.00 -2.42 0.00 0.00 31.31 28.61 2bqa n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bqa s ASN 66 N -2.80 5.48 0.00 0.00 2.47 0.05 -4.42 114.94 115.72 2bqa s ASN 66 Ca 0.05 -0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.30 2bqa s ASN 66 Cb 0.06 -1.96 0.00 0.00 -1.45 0.00 0.00 41.25 37.90 2bqa s ASN 66 CO -0.10 0.09 0.65 -0.90 -3.72 0.00 0.00 177.10 173.12 2bqa n ASP 67 N 4.11 1.21 0.00 -4.21 5.75 -1.26 -1.38 116.55 120.77 2bqa n ASP 67 Ca -0.16 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 2bqa n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2bqa n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bqa n GLY 68 N -0.20 1.87 1.24 6.12 0.00 -1.26 -4.70 105.19 108.26 2bqa n GLY 68 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2bqa n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bqa n LYS 69 N -0.13 3.32 -3.64 1.61 2.85 -1.26 -4.93 118.16 115.97 2bqa n LYS 69 Ca 0.00 -2.67 -0.37 0.00 -1.05 0.00 0.00 58.31 54.22 2bqa n LYS 69 Cb 0.00 -1.71 -0.11 0.00 -0.65 0.00 0.00 35.03 32.56 2bqa n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2bqa s THR 70 N -1.71 5.06 0.62 0.58 2.01 -1.26 -4.95 115.64 115.99 2bqa s THR 70 Ca 0.43 0.08 -0.19 0.00 0.31 0.00 0.00 61.69 62.33 2bqa s THR 70 Cb 0.28 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 2bqa s THR 70 CO 0.21 0.28 1.25 -2.65 -0.69 0.00 0.00 174.62 173.03 2bqa n PRO 71 N 4.93 1.20 -4.35 4.92 -0.02 -1.26 -3.29 135.00 137.14 2bqa n PRO 71 Ca -0.15 0.46 -0.39 0.00 -2.02 0.00 0.00 63.50 61.41 2bqa n PRO 71 Cb 0.52 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 2bqa n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bqa n GLY 72 N 0.95 -0.42 3.89 -1.23 0.00 -1.26 -4.91 105.19 102.21 2bqa n GLY 72 Ca 0.14 0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 2bqa n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqa s ALA 73 N -3.18 3.22 0.22 4.61 0.00 -1.21 -4.98 121.76 120.45 2bqa s ALA 73 Ca 0.77 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.45 2bqa s ALA 73 Cb -0.44 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 2bqa s ALA 73 CO 0.94 -0.57 0.06 0.08 0.00 0.00 0.00 175.76 176.27 2bqa s VAL 74 N -3.00 0.53 -0.42 0.00 1.01 0.21 -5.01 120.40 113.72 2bqa s VAL 74 Ca 0.52 -1.99 0.05 0.00 0.00 0.00 0.00 61.98 60.56 2bqa s VAL 74 Cb -0.11 -2.41 0.19 0.00 0.00 0.00 0.00 36.38 34.06 2bqa s VAL 74 CO 0.50 -0.20 0.41 -3.20 0.00 0.00 0.00 175.10 172.61 2bqa n ASN 75 N -0.35 -0.07 0.08 3.32 2.85 -1.24 -3.85 115.26 116.01 2bqa n ASN 75 Ca -0.02 -2.52 -0.13 0.00 -0.11 0.00 0.00 54.58 51.80 2bqa n ASN 75 Cb 0.65 -0.59 -0.08 0.00 1.24 0.00 0.00 39.78 41.01 2bqa n ASN 75 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2bqa h ALA 76 N 5.12 -0.14 0.00 5.20 0.00 -0.84 -2.75 119.26 125.85 2bqa h ALA 76 Ca 0.21 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2bqa h ALA 76 Cb 0.89 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2bqa h ALA 76 CO 0.42 -0.54 -0.24 0.00 0.00 0.00 0.00 179.25 178.89 2bqa h ALA 77 N 0.68 1.03 -0.74 0.00 0.00 -1.74 -3.47 119.26 115.01 2bqa h ALA 77 Ca -0.01 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 2bqa h ALA 77 Cb 0.17 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2bqa h ALA 77 CO 0.02 0.30 -0.20 0.72 0.00 0.00 0.00 179.25 180.10 2bqa n HIS 78 N -3.42 -0.15 -3.92 0.00 -0.00 -1.04 -5.04 115.22 101.66 2bqa n HIS 78 Ca -0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.47 2bqa n HIS 78 Cb 0.43 -2.01 -0.03 0.00 -0.00 0.00 0.00 29.99 28.39 2bqa n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2bqa s LEU 79 N -2.32 4.32 0.24 2.41 1.43 -1.26 -4.97 118.68 118.53 2bqa s LEU 79 Ca 0.00 0.17 -0.25 0.00 -1.03 0.00 0.00 54.13 53.02 2bqa s LEU 79 Cb 0.00 -2.93 -0.09 0.00 0.03 0.00 0.00 46.19 43.20 2bqa s LEU 79 CO 0.00 0.01 0.85 -0.55 0.23 0.00 0.00 176.35 176.90 2bqa s SER 80 N -3.39 7.37 0.60 2.29 0.15 -1.26 -0.77 113.70 118.69 2bqa s SER 80 Ca 0.35 1.73 0.37 0.00 0.70 0.00 0.00 55.95 59.10 2bqa s SER 80 Cb -0.11 -2.53 1.92 0.00 -1.71 0.00 0.00 66.02 63.59 2bqa s SER 80 CO 0.29 0.08 2.21 0.00 1.20 0.00 0.00 173.24 177.01 2bqa h SER 82 N 0.00 0.05 0.71 0.00 0.87 -1.92 -1.56 113.55 111.71 2bqa h SER 82 Ca -0.00 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2bqa h SER 82 Cb 0.20 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2bqa h SER 82 CO 0.00 0.09 -0.04 0.00 -0.53 0.00 0.00 176.83 176.35 2bqa h ALA 83 N 1.92 1.04 -0.36 6.23 0.00 -1.72 -2.52 119.26 123.85 2bqa h ALA 83 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2bqa h ALA 83 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2bqa h ALA 83 CO 0.00 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.58 2bqa n LEU 84 N -3.19 2.11 -0.42 0.00 4.77 -0.59 -3.56 117.00 116.13 2bqa n LEU 84 Ca -0.01 -1.02 0.04 0.00 -0.03 0.00 0.00 56.01 54.99 2bqa n LEU 84 Cb 0.26 -0.24 0.10 0.00 -2.33 0.00 0.00 43.42 41.21 2bqa n LEU 84 CO 0.27 0.51 0.58 0.18 -1.33 0.00 0.00 177.39 177.60 2bqa n LEU 85 N 0.64 2.59 -4.87 2.23 4.77 -0.95 -3.48 117.00 117.94 2bqa n LEU 85 Ca 0.14 -1.98 -0.31 0.00 -0.03 0.00 0.00 56.01 53.83 2bqa n LEU 85 Cb 0.35 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2bqa n LEU 85 CO 0.10 0.65 0.72 -1.10 -1.33 0.00 0.00 177.39 176.43 2bqa s GLN 86 N -0.99 3.46 0.19 3.23 -0.21 -1.23 -4.58 119.66 119.52 2bqa s GLN 86 Ca 0.15 0.75 0.04 0.00 0.02 0.00 0.00 55.36 56.32 2bqa s GLN 86 Cb 0.08 -2.06 0.09 0.00 1.00 0.00 0.00 33.01 32.11 2bqa s GLN 86 CO 0.10 -0.67 1.45 -0.44 -2.12 0.00 0.00 175.29 173.61 2bqa h ASP 87 N -0.40 0.22 -3.27 5.90 3.32 -1.93 -3.42 116.42 116.85 2bqa h ASP 87 Ca -0.44 -0.16 -0.58 0.00 0.02 0.00 0.00 57.03 55.87 2bqa h ASP 87 Cb 1.20 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.61 2bqa h ASP 87 CO 0.62 0.91 0.73 0.21 -1.72 0.00 0.00 179.24 179.99 2bqa s ASN 88 N -6.90 6.92 -0.03 6.45 3.84 -1.26 -4.93 114.94 119.03 2bqa s ASN 88 Ca -0.03 1.07 0.08 0.00 0.21 0.00 0.00 52.86 54.19 2bqa s ASN 88 Cb 0.11 -2.51 0.29 0.00 -0.55 0.00 0.00 41.25 38.59 2bqa s ASN 88 CO 0.81 -0.76 1.17 2.30 -2.79 0.00 0.00 177.10 177.83 2bqa n ILE 89 N 5.63 0.64 -0.17 -5.21 -5.35 -1.26 -4.41 119.36 109.23 2bqa n ILE 89 Ca 0.10 -0.47 -0.02 0.00 -0.27 0.00 0.00 62.75 62.09 2bqa n ILE 89 Cb 0.47 0.02 0.07 0.00 -1.74 0.00 0.00 39.64 38.46 2bqa n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bqa h ALA 90 N 3.35 0.66 -0.24 -1.28 0.00 -1.95 0.09 119.26 119.89 2bqa h ALA 90 Ca 0.00 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 2bqa h ALA 90 Cb 0.63 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2bqa h ALA 90 CO 0.06 -0.19 -0.44 -0.44 0.00 0.00 0.00 179.25 178.24 2bqa h ASP 91 N 0.39 0.65 -0.28 0.00 3.32 -1.86 -1.62 116.42 117.02 2bqa h ASP 91 Ca 0.25 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 2bqa h ASP 91 Cb 0.27 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2bqa h ASP 91 CO -0.25 1.01 -0.07 0.00 -1.72 0.00 0.00 179.24 178.21 2bqa h ALA 92 N 1.02 1.15 -0.31 3.45 0.00 -1.66 -1.18 119.26 121.72 2bqa h ALA 92 Ca 0.03 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 2bqa h ALA 92 Cb 0.97 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2bqa h ALA 92 CO 0.09 0.54 -0.25 0.28 0.00 0.00 0.00 179.25 179.91 2bqa h VAL 93 N 0.61 1.30 -0.73 0.00 2.07 -0.84 -1.30 116.25 117.36 2bqa h VAL 93 Ca 0.12 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 2bqa h VAL 93 Cb 0.49 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 2bqa h VAL 93 CO 0.03 0.45 0.41 0.00 0.02 0.00 0.00 177.57 178.48 2bqa h ALA 94 N 0.73 1.35 -0.21 1.67 0.00 -0.96 -1.36 119.26 120.48 2bqa h ALA 94 Ca 0.06 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2bqa h ALA 94 Cb 0.82 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2bqa h ALA 94 CO 0.07 0.54 -0.10 0.00 0.00 0.00 0.00 179.25 179.75 2bqa h ALA 95 N 1.44 0.30 -0.72 0.00 0.00 -1.10 -2.61 119.26 116.58 2bqa h ALA 95 Ca 0.26 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2bqa h ALA 95 Cb 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2bqa h ALA 95 CO -0.04 0.13 0.47 0.00 0.00 0.00 0.00 179.25 179.81 2bqa h ALA 96 N 0.71 1.56 -0.54 0.00 0.00 -0.98 -0.43 119.26 119.57 2bqa h ALA 96 Ca 0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2bqa h ALA 96 Cb 0.59 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2bqa h ALA 96 CO 0.03 0.38 0.09 0.87 0.00 0.00 0.00 179.25 180.62 2bqa h LYS 97 N 0.90 0.89 -0.30 0.00 1.57 -1.18 -2.58 116.57 115.86 2bqa h LYS 97 Ca 0.28 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2bqa h LYS 97 Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2bqa h LYS 97 CO -0.08 0.86 0.14 -0.09 -0.57 0.00 0.00 179.45 179.72 2bqa h ARG 98 N 0.78 0.44 -0.38 3.15 9.65 -0.94 -2.68 114.38 124.40 2bqa h ARG 98 Ca 0.17 -0.07 0.07 0.00 -1.10 0.00 0.00 59.98 59.05 2bqa h ARG 98 Cb 0.40 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.84 2bqa h ARG 98 CO 0.01 0.42 -0.02 0.28 2.80 0.00 0.00 179.97 183.46 2bqa h VAL 99 N 0.35 0.69 0.00 0.20 2.07 -0.90 -1.82 116.25 116.83 2bqa h VAL 99 Ca 0.10 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2bqa h VAL 99 Cb 0.13 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2bqa h VAL 99 CO -0.01 0.01 0.00 1.33 0.02 0.00 0.00 177.57 178.92 2bqa n VAL 100 N -5.22 0.19 1.00 2.57 0.24 -0.99 -2.53 118.33 113.59 2bqa n VAL 100 Ca 0.02 0.05 0.12 0.00 -2.04 0.00 0.00 64.34 62.49 2bqa n VAL 100 Cb 0.20 -0.68 0.57 0.00 -1.47 0.00 0.00 33.84 32.46 2bqa n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2bqa n ARG 101 N -1.18 0.17 -2.72 7.34 1.74 -0.68 -4.21 116.66 117.11 2bqa n ARG 101 Ca 0.13 0.07 -0.29 0.00 -0.77 0.00 0.00 57.85 56.99 2bqa n ARG 101 Cb 0.14 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.07 2bqa n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2bqa s ASP 102 N -2.80 6.37 0.43 0.55 1.11 -1.05 -4.99 116.67 116.28 2bqa s ASP 102 Ca 0.17 1.01 0.23 0.00 0.18 0.00 0.00 52.55 54.15 2bqa s ASP 102 Cb 0.16 -2.28 1.23 0.00 1.07 0.00 0.00 42.92 43.11 2bqa s ASP 102 CO 0.42 -0.50 1.77 1.55 1.18 0.00 0.00 175.17 179.58 2bqa h PRO 103 N 0.65 0.27 0.00 8.23 0.13 -1.89 -1.29 132.00 138.11 2bqa h PRO 103 Ca -0.47 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 2bqa h PRO 103 Cb 1.20 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2bqa h PRO 103 CO 0.63 0.18 -0.28 1.96 -0.23 0.00 0.00 178.00 180.26 2bqa h GLN 104 N 0.28 0.00 0.00 0.86 4.20 -1.91 -3.48 115.11 115.06 2bqa h GLN 104 Ca 0.60 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.31 2bqa h GLN 104 Cb 1.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.54 2bqa h GLN 104 CO -0.24 0.28 0.00 0.41 -0.67 0.00 0.00 178.83 178.61 2bqa n GLY 105 N -0.70 2.18 0.32 3.46 0.00 -0.49 -2.03 105.19 107.92 2bqa n GLY 105 Ca -0.02 -0.54 0.20 0.00 0.00 0.00 0.00 46.02 45.66 2bqa n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqa h ILE 106 N 0.00 0.06 0.00 -0.61 6.09 -1.91 -2.46 117.51 118.68 2bqa h ILE 106 Ca 0.00 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 2bqa h ILE 106 Cb 0.00 1.17 0.00 0.00 0.47 0.00 0.00 36.82 38.46 2bqa h ILE 106 CO 0.00 0.01 0.00 0.54 -3.07 0.00 0.00 178.15 175.63 2bqa n ARG 107 N -3.15 0.32 0.23 2.19 1.74 -0.86 -2.94 116.66 114.20 2bqa n ARG 107 Ca -0.02 0.08 0.07 0.00 -0.77 0.00 0.00 57.85 57.21 2bqa n ARG 107 Cb 0.15 -1.50 0.56 0.00 -1.02 0.00 0.00 32.46 30.65 2bqa n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bqa h ALA 108 N 2.79 1.60 -2.50 7.54 0.00 -1.60 -3.39 119.26 123.70 2bqa h ALA 108 Ca 0.00 -0.15 -0.64 0.00 0.00 0.00 0.00 54.91 54.11 2bqa h ALA 108 Cb 0.07 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.68 2bqa h ALA 108 CO 0.00 0.21 -0.09 -1.58 0.00 0.00 0.00 179.25 177.80 2bqa s TRP 109 N -4.54 3.20 0.39 0.00 0.51 -1.15 -4.95 118.94 112.40 2bqa s TRP 109 Ca -0.04 0.23 0.08 0.00 -2.12 0.00 0.00 56.10 54.25 2bqa s TRP 109 Cb 0.15 -2.85 0.79 0.00 -0.81 0.00 0.00 33.47 30.76 2bqa s TRP 109 CO 0.67 -0.47 1.96 0.28 -0.51 0.00 0.00 176.95 178.88 2bqa h VAL 110 N 5.56 1.15 -0.36 4.03 2.07 -1.90 -1.57 116.25 125.23 2bqa h VAL 110 Ca -0.28 -0.56 0.09 0.00 0.82 0.00 0.00 66.70 66.77 2bqa h VAL 110 Cb 1.13 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 2bqa h VAL 110 CO 0.75 0.19 0.25 0.00 0.02 0.00 0.00 177.57 178.78 2bqa h ALA 111 N 1.66 2.27 -0.31 1.67 0.00 -1.95 -1.44 119.26 121.16 2bqa h ALA 111 Ca 0.09 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2bqa h ALA 111 Cb 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2bqa h ALA 111 CO 0.00 -0.37 -0.17 2.35 0.00 0.00 0.00 179.25 181.07 2bqa h TRP 112 N 0.05 0.77 -0.64 0.00 7.01 -1.61 -1.96 115.95 119.57 2bqa h TRP 112 Ca 0.17 -0.20 -0.03 0.00 2.11 0.00 0.00 58.89 60.94 2bqa h TRP 112 Cb 0.60 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.46 2bqa h TRP 112 CO -0.00 0.89 0.27 0.00 -2.79 0.00 0.00 178.44 176.81 2bqa h ARG 113 N 0.42 0.95 -0.11 2.65 3.08 -1.30 0.13 114.38 120.20 2bqa h ARG 113 Ca 0.07 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 2bqa h ARG 113 Cb 0.70 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 2bqa h ARG 113 CO 0.05 0.79 -0.03 -0.91 -1.07 0.00 0.00 179.97 178.80 2bqa h ASN 114 N 0.89 0.21 -0.03 7.04 2.35 -1.42 -3.37 115.58 121.25 2bqa h ASN 114 Ca 0.21 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2bqa h ASN 114 Cb 0.19 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2bqa h ASN 114 CO -0.02 0.54 0.00 -2.11 -1.65 0.00 0.00 177.43 174.19 2bqa n ARG 115 N -4.75 0.27 0.00 0.81 0.00 -0.74 -4.87 116.66 107.38 2bqa n ARG 115 Ca -0.06 -0.99 0.00 0.00 -0.00 0.00 0.00 57.85 56.80 2bqa n ARG 115 Cb 0.25 -1.12 0.00 0.00 -0.00 0.00 0.00 32.46 31.59 2bqa n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bqa n GLN 117 N -2.79 1.96 -1.65 0.00 7.27 -0.31 -2.33 117.38 119.53 2bqa n GLN 117 Ca 0.00 0.70 -0.18 0.00 0.07 0.00 0.00 57.00 57.58 2bqa n GLN 117 Cb 0.43 -2.31 -0.07 0.00 2.41 0.00 0.00 30.24 30.71 2bqa n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2bqa n ASN 118 N 1.76 -5.25 -4.66 1.69 5.03 -1.26 -4.96 115.26 107.61 2bqa n ASN 118 Ca 0.10 0.39 -0.27 0.00 0.87 0.00 0.00 54.58 55.67 2bqa n ASN 118 Cb 0.32 -4.36 -0.10 0.00 -1.02 0.00 0.00 39.78 34.62 2bqa n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2bqa s ARG 119 N -3.76 2.04 -0.44 3.52 0.52 -0.99 -5.08 118.95 114.76 2bqa s ARG 119 Ca 0.00 -2.03 -0.25 0.00 -0.52 0.00 0.00 55.73 52.93 2bqa s ARG 119 Cb 0.00 -1.74 0.02 0.00 0.52 0.00 0.00 34.95 33.75 2bqa s ARG 119 CO 0.00 -0.07 0.88 0.34 0.02 0.00 0.00 175.30 176.46 2bqa s ASP 120 N -3.77 6.50 -0.04 0.23 -1.08 -1.26 -4.90 116.67 112.35 2bqa s ASP 120 Ca 0.37 0.13 0.14 0.00 -0.52 0.00 0.00 52.55 52.67 2bqa s ASP 120 Cb 0.08 -2.43 0.44 0.00 -1.46 0.00 0.00 42.92 39.55 2bqa s ASP 120 CO 0.19 -0.97 1.37 1.33 0.52 0.00 0.00 175.17 177.61 2bqa n VAL 121 N 6.25 1.29 -0.22 1.11 0.24 -1.26 -4.63 118.33 121.12 2bqa n VAL 121 Ca 0.05 -1.15 0.06 0.00 -2.04 0.00 0.00 64.34 61.26 2bqa n VAL 121 Cb 0.48 0.34 0.32 0.00 -1.47 0.00 0.00 33.84 33.52 2bqa n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2bqa h ARG 122 N 2.57 0.80 -0.87 7.34 3.08 -1.92 -2.31 114.38 123.07 2bqa h ARG 122 Ca 0.00 -0.05 0.25 0.00 0.07 0.00 0.00 59.98 60.25 2bqa h ARG 122 Cb 0.96 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 2bqa h ARG 122 CO 0.06 0.53 0.67 -0.56 -1.07 0.00 0.00 179.97 179.60 2bqa h GLN 123 N 0.82 0.00 0.00 0.04 3.07 -1.97 -1.72 115.11 115.35 2bqa h GLN 123 Ca 0.34 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 59.03 2bqa h GLN 123 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.82 2bqa h GLN 123 CO -0.12 0.00 -0.26 1.88 0.09 0.00 0.00 178.83 180.42 2bqa h TYR 124 N 0.00 0.00 0.00 0.06 0.05 -1.75 -3.29 116.97 112.04 2bqa h TYR 124 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.19 2bqa h TYR 124 Cb 1.75 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.49 2bqa h TYR 124 CO 0.00 0.26 0.00 1.33 -1.05 0.00 0.00 178.16 178.70 2bqa n VAL 125 N -3.55 0.13 -1.98 -2.88 0.24 -0.71 -4.84 118.33 104.73 2bqa n VAL 125 Ca -0.01 -0.56 -0.42 0.00 -2.04 0.00 0.00 64.34 61.31 2bqa n VAL 125 Cb 0.40 0.94 -0.03 0.00 -1.47 0.00 0.00 33.84 33.68 2bqa n VAL 125 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2bqa s GLN 126 N -0.13 4.22 0.00 7.34 2.00 -0.82 -2.51 119.66 129.76 2bqa s GLN 126 Ca 0.00 2.28 0.00 0.00 -2.00 0.00 0.00 55.36 55.64 2bqa s GLN 126 Cb 0.00 -3.43 0.00 0.00 0.80 0.00 0.00 33.01 30.38 2bqa s GLN 126 CO 0.00 -0.65 0.00 0.41 -0.50 0.00 0.00 175.29 174.55 2bqa n GLY 127 N 3.84 1.47 0.03 2.59 0.00 -1.26 -4.92 105.19 106.94 2bqa n GLY 127 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 2bqa n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqa n GLY 129 N 1.44 0.38 0.33 0.00 0.00 -1.26 -4.85 105.19 101.23 2bqa n GLY 129 Ca 0.06 -1.00 0.04 0.00 0.00 0.00 0.00 46.02 45.13 2bqa n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65