#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b7s s VAL 2 N 0.00 2.80 0.57 3.15 1.01 -1.26 -0.79 120.40 125.88 1b7s s VAL 2 Ca 0.00 -1.77 -0.18 0.00 0.00 0.00 0.00 61.98 60.02 1b7s s VAL 2 Cb 0.00 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 1b7s s VAL 2 CO 0.00 -0.33 1.12 -0.36 0.00 0.00 0.00 175.10 175.53 1b7s s PHE 3 N 1.13 2.67 0.39 5.22 0.08 -0.59 -5.00 117.98 121.88 1b7s s PHE 3 Ca 0.01 1.55 -0.07 0.00 0.12 0.00 0.00 56.93 58.53 1b7s s PHE 3 Cb -0.20 -3.26 -0.05 0.00 -0.57 0.00 0.00 43.02 38.94 1b7s s PHE 3 CO -0.04 -1.58 0.71 -1.21 -0.10 0.00 0.00 175.22 172.99 1b7s s GLU 4 N -3.48 3.66 0.02 0.44 0.41 -1.26 -4.85 118.70 113.65 1b7s s GLU 4 Ca 0.71 0.24 -0.06 0.00 -0.41 0.00 0.00 54.97 55.45 1b7s s GLU 4 Cb -0.23 -2.47 -0.03 0.00 -1.78 0.00 0.00 34.13 29.63 1b7s s GLU 4 CO 0.30 -0.01 1.10 -0.09 -0.49 0.00 0.00 175.26 176.08 1b7s h ARG 5 N 1.07 -0.12 0.00 1.61 2.43 -1.96 -1.01 114.38 116.40 1b7s h ARG 5 Ca -0.47 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1b7s h ARG 5 Cb 1.19 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1b7s h ARG 5 CO 0.64 -0.08 -0.04 0.00 -1.51 0.00 0.00 179.97 178.97 1b7s h GLU 7 N 0.00 0.36 -0.14 0.00 4.81 -1.89 -2.42 114.58 115.31 1b7s h GLU 7 Ca -0.00 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1b7s h GLU 7 Cb 0.10 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1b7s h GLU 7 CO 0.01 0.45 0.06 1.25 -0.73 0.00 0.00 179.01 180.05 1b7s h LEU 8 N 0.21 0.19 -0.49 1.64 5.85 -0.02 -2.63 115.31 120.05 1b7s h LEU 8 Ca 0.07 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.74 1b7s h LEU 8 Cb 0.24 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 1b7s h LEU 8 CO -0.00 0.29 0.03 0.00 -0.34 0.00 0.00 178.44 178.41 1b7s h ALA 9 N 0.91 0.50 -0.85 1.25 0.00 -1.23 0.20 119.26 120.03 1b7s h ALA 9 Ca 0.05 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1b7s h ALA 9 Cb 0.15 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1b7s h ALA 9 CO -0.00 -0.37 0.42 0.00 0.00 0.00 0.00 179.25 179.30 1b7s h ARG 10 N 0.15 1.22 -0.36 0.00 3.08 -1.40 -0.59 114.38 116.48 1b7s h ARG 10 Ca 0.25 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1b7s h ARG 10 Cb 0.37 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1b7s h ARG 10 CO -0.39 0.93 -0.02 1.15 -1.07 0.00 0.00 179.97 180.57 1b7s h THR 11 N 1.21 1.26 -0.55 2.04 2.02 -0.89 0.11 112.91 118.11 1b7s h THR 11 Ca 0.29 -1.02 -0.04 0.00 0.77 0.00 0.00 66.41 66.42 1b7s h THR 11 Cb 0.10 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1b7s h THR 11 CO -0.04 0.34 0.20 -0.07 0.37 0.00 0.00 175.52 176.32 1b7s h LEU 12 N 0.45 0.78 -0.23 2.58 3.38 -0.41 -1.70 115.31 120.16 1b7s h LEU 12 Ca 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1b7s h LEU 12 Cb 0.49 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1b7s h LEU 12 CO 0.02 0.75 0.13 0.50 0.09 0.00 0.00 178.44 179.94 1b7s h LYS 13 N 0.76 0.31 -0.24 1.13 3.64 -0.95 -1.47 116.57 119.75 1b7s h LYS 13 Ca 0.18 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.60 1b7s h LYS 13 Cb 0.23 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1b7s h LYS 13 CO -0.01 0.26 0.18 0.00 -2.27 0.00 0.00 179.45 177.61 1b7s h ARG 14 N 0.28 0.00 -0.27 1.90 3.08 -0.56 -0.57 114.38 118.23 1b7s h ARG 14 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1b7s h ARG 14 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1b7s h ARG 14 CO -0.01 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.17 1b7s n LEU 15 N -4.35 1.52 -0.58 3.04 4.77 -0.59 -4.92 117.00 115.88 1b7s n LEU 15 Ca 0.03 -0.75 -0.04 0.00 -0.03 0.00 0.00 56.01 55.22 1b7s n LEU 15 Cb 0.33 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1b7s n LEU 15 CO 0.34 0.37 -0.04 0.61 -1.33 0.00 0.00 177.39 177.35 1b7s n GLY 16 N 0.97 0.27 0.05 -0.72 0.00 -0.22 -4.98 105.19 100.56 1b7s n GLY 16 Ca 0.10 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.56 1b7s n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1b7s n MET 17 N -1.40 0.30 -2.02 1.61 2.81 -0.97 -4.49 117.12 112.95 1b7s n MET 17 Ca -0.04 0.05 -0.39 0.00 -1.81 0.00 0.00 57.70 55.50 1b7s n MET 17 Cb 0.53 -1.65 -0.03 0.00 -0.71 0.00 0.00 33.22 31.37 1b7s n MET 17 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1b7s s ASP 18 N -4.11 5.35 0.00 7.83 2.15 -1.26 -2.59 116.67 124.04 1b7s s ASP 18 Ca 0.05 0.51 0.00 0.00 0.43 0.00 0.00 52.55 53.53 1b7s s ASP 18 Cb 0.14 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1b7s s ASP 18 CO 0.76 -2.29 0.00 0.61 -0.17 0.00 0.00 175.17 174.08 1b7s n GLY 19 N 5.66 0.54 3.66 2.66 0.00 0.18 -4.92 105.19 112.97 1b7s n GLY 19 Ca 0.21 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1b7s n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1b7s s TYR 20 N -2.00 1.30 -1.49 1.61 5.04 -1.07 -1.08 117.35 119.66 1b7s s TYR 20 Ca 0.00 -0.45 -0.01 0.00 -2.44 0.00 0.00 57.07 54.17 1b7s s TYR 20 Cb 0.00 -4.24 0.01 0.00 0.35 0.00 0.00 41.96 38.08 1b7s s TYR 20 CO 0.00 -5.54 0.12 0.54 -1.34 0.00 0.00 175.55 169.34 1b7s n ARG 21 N 7.51 -2.45 -0.44 4.97 5.12 -1.26 -1.56 116.66 128.55 1b7s n ARG 21 Ca 0.20 0.83 0.00 0.00 -1.93 0.00 0.00 57.85 56.95 1b7s n ARG 21 Cb 0.41 -5.51 0.00 0.00 -1.16 0.00 0.00 32.46 26.20 1b7s n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1b7s n GLY 22 N -1.04 0.88 3.63 -0.13 0.00 -0.24 -5.02 105.19 103.27 1b7s n GLY 22 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 1b7s n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b7s s ILE 23 N -2.96 5.14 0.60 -0.61 1.01 -0.60 -4.89 121.20 118.89 1b7s s ILE 23 Ca 0.00 0.76 -0.15 0.00 0.00 0.00 0.00 60.65 61.26 1b7s s ILE 23 Cb 0.00 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 1b7s s ILE 23 CO 0.00 0.16 1.05 -0.94 0.00 0.00 0.00 174.94 175.20 1b7s s SER 24 N 1.40 5.84 0.28 3.58 1.04 -1.26 0.50 113.70 125.07 1b7s s SER 24 Ca 0.19 1.73 0.01 0.00 0.48 0.00 0.00 55.95 58.36 1b7s s SER 24 Cb -0.15 -2.52 0.55 0.00 0.10 0.00 0.00 66.02 63.99 1b7s s SER 24 CO 0.09 -1.13 1.83 0.25 0.98 0.00 0.00 173.24 175.26 1b7s h LEU 25 N 0.26 0.91 -2.02 2.42 5.85 -1.92 0.21 115.31 121.03 1b7s h LEU 25 Ca -0.46 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 1b7s h LEU 25 Cb 1.21 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 1b7s h LEU 25 CO 0.58 0.48 -0.09 0.00 -0.34 0.00 0.00 178.44 179.07 1b7s h ALA 26 N 1.54 1.27 -0.02 1.25 0.00 -1.92 -0.23 119.26 121.15 1b7s h ALA 26 Ca 0.49 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 55.15 1b7s h ALA 26 Cb 0.49 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1b7s h ALA 26 CO -0.27 0.11 -0.67 -0.91 0.00 0.00 0.00 179.25 177.52 1b7s h ASN 27 N 0.00 0.62 -0.65 0.00 2.35 -0.90 -2.23 115.58 114.76 1b7s h ASN 27 Ca -0.00 -0.74 -0.04 0.00 -0.55 0.00 0.00 56.30 54.97 1b7s h ASN 27 Cb 0.28 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1b7s h ASN 27 CO 0.01 1.27 0.25 -0.50 -1.65 0.00 0.00 177.43 176.82 1b7s h TRP 28 N 0.02 1.00 -0.83 1.19 -0.00 -1.17 -0.70 115.95 115.45 1b7s h TRP 28 Ca -0.08 -0.08 -0.03 0.00 -0.00 0.00 0.00 58.89 58.70 1b7s h TRP 28 Cb 1.36 -0.30 -0.04 0.00 -0.00 0.00 0.00 29.16 30.19 1b7s h TRP 28 CO 0.13 0.79 0.41 0.52 -0.00 0.00 0.00 178.44 180.29 1b7s h MET 29 N 0.92 1.19 -0.49 0.49 2.86 -1.09 -1.27 114.93 117.54 1b7s h MET 29 Ca 0.22 -0.17 -0.11 0.00 -2.06 0.00 0.00 59.70 57.58 1b7s h MET 29 Cb 0.22 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1b7s h MET 29 CO -0.02 0.91 -0.15 0.00 1.06 0.00 0.00 176.91 178.71 1b7s h LEU 31 N 0.83 -1.01 -0.54 0.00 5.85 -0.72 -2.35 115.31 117.37 1b7s h LEU 31 Ca 0.13 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.99 1b7s h LEU 31 Cb 0.69 0.26 -0.10 0.00 0.37 0.00 0.00 40.66 41.88 1b7s h LEU 31 CO 0.05 -0.67 -0.16 0.00 -0.34 0.00 0.00 178.44 177.31 1b7s h ALA 32 N -1.27 0.30 -0.61 1.25 0.00 -1.26 0.55 119.26 118.23 1b7s h ALA 32 Ca -0.12 0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.10 1b7s h ALA 32 Cb 0.92 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 19.09 1b7s h ALA 32 CO 0.20 -0.47 0.15 -0.22 0.00 0.00 0.00 179.25 178.91 1b7s h LYS 33 N -0.03 0.28 0.00 0.00 1.63 -1.34 -0.36 116.57 116.75 1b7s h LYS 33 Ca 0.26 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.03 1b7s h LYS 33 Cb 0.43 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1b7s h LYS 33 CO -0.57 0.18 -0.49 -1.49 -3.45 0.00 0.00 179.45 173.62 1b7s h TRP 34 N 0.28 0.00 0.00 1.91 4.06 -0.50 -2.52 115.95 119.18 1b7s h TRP 34 Ca 0.32 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.26 1b7s h TRP 34 Cb 0.46 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.62 1b7s h TRP 34 CO -0.23 0.05 -0.04 0.93 -3.56 0.00 0.00 178.44 175.58 1b7s h GLU 35 N 0.00 0.00 0.00 0.49 4.39 0.85 -3.43 114.58 116.88 1b7s h GLU 35 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1b7s h GLU 35 Cb 1.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1b7s h GLU 35 CO 0.01 0.94 0.00 -1.13 -1.16 0.00 0.00 179.01 177.66 1b7s n SER 36 N -4.61 0.15 -1.72 1.42 3.41 -0.22 -4.85 113.62 107.18 1b7s n SER 36 Ca -0.10 -0.50 -0.11 0.00 -0.26 0.00 0.00 58.87 57.89 1b7s n SER 36 Cb 0.46 0.23 0.02 0.00 -0.26 0.00 0.00 64.21 64.66 1b7s n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b7s n GLY 37 N 0.23 0.12 2.35 5.00 0.00 -0.79 -2.87 105.19 109.22 1b7s n GLY 37 Ca 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 1b7s n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b7s n TYR 38 N -3.84 0.00 -3.44 1.61 0.53 -1.23 -4.84 117.16 105.95 1b7s n TYR 38 Ca -0.04 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.43 1b7s n TYR 38 Cb 0.55 -1.70 -0.10 0.00 -1.03 0.00 0.00 39.34 37.06 1b7s n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1b7s s ASN 39 N -2.66 6.14 0.47 7.72 2.47 -1.14 -1.54 114.94 126.40 1b7s s ASN 39 Ca 0.00 -0.36 0.31 0.00 0.42 0.00 0.00 52.86 53.23 1b7s s ASN 39 Cb 0.00 -2.18 1.35 0.00 -1.45 0.00 0.00 41.25 38.97 1b7s s ASN 39 CO 0.00 -0.33 1.93 0.71 -3.72 0.00 0.00 177.10 175.69 1b7s h THR 40 N 5.54 0.00 -0.32 -5.21 1.35 -1.29 -3.12 112.91 109.87 1b7s h THR 40 Ca -0.30 -0.37 -0.13 0.00 -0.55 0.00 0.00 66.41 65.06 1b7s h THR 40 Cb 1.14 1.28 -0.08 0.00 -1.73 0.00 0.00 68.15 68.77 1b7s h THR 40 CO 0.68 0.00 -0.05 -2.11 -0.25 0.00 0.00 175.52 173.80 1b7s n ARG 41 N -2.83 2.11 -2.54 4.72 -4.01 -1.26 -4.09 116.66 108.76 1b7s n ARG 41 Ca 0.01 -3.06 -0.41 0.00 -1.04 0.00 0.00 57.85 53.35 1b7s n ARG 41 Cb 0.26 -1.81 -0.04 0.00 -3.04 0.00 0.00 32.46 27.82 1b7s n ARG 41 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1b7s s ALA 42 N -3.12 3.37 0.03 2.89 0.00 -1.18 -4.84 121.76 118.91 1b7s s ALA 42 Ca 0.43 0.81 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 1b7s s ALA 42 Cb 0.38 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 1b7s s ALA 42 CO 0.02 -0.14 -0.02 0.95 0.00 0.00 0.00 175.76 176.57 1b7s s THR 43 N -0.58 0.14 -0.17 0.00 -4.23 -1.26 -0.62 115.64 108.92 1b7s s THR 43 Ca 0.47 -1.19 -0.04 0.00 -1.18 0.00 0.00 61.69 59.75 1b7s s THR 43 Cb -0.29 -0.68 0.08 0.00 1.34 0.00 0.00 72.50 72.95 1b7s s THR 43 CO 0.36 -0.65 0.23 0.20 -0.54 0.00 0.00 174.62 174.22 1b7s s ASN 44 N -1.94 0.97 -0.11 3.99 -0.87 0.21 -4.93 114.94 112.26 1b7s s ASN 44 Ca -0.08 0.08 -0.24 0.00 -1.57 0.00 0.00 52.86 51.04 1b7s s ASN 44 Cb -0.04 0.50 -0.03 0.00 -0.02 0.00 0.00 41.25 41.66 1b7s s ASN 44 CO -0.04 -0.29 0.76 -0.47 -2.57 0.00 0.00 177.10 174.49 1b7s s TYR 45 N 2.36 3.51 -0.46 2.20 6.14 -1.26 0.06 117.35 129.91 1b7s s TYR 45 Ca 0.05 1.26 -0.10 0.00 0.64 0.00 0.00 57.07 58.93 1b7s s TYR 45 Cb -0.14 -2.90 0.11 0.00 0.42 0.00 0.00 41.96 39.44 1b7s s TYR 45 CO -0.11 -0.05 0.33 -0.80 0.64 0.00 0.00 175.55 175.56 1b7s s ASN 46 N 0.97 5.71 0.61 4.32 0.01 0.52 -4.94 114.94 122.14 1b7s s ASN 46 Ca 0.38 -1.77 0.36 0.00 -0.71 0.00 0.00 52.86 51.12 1b7s s ASN 46 Cb -0.17 -2.02 1.98 0.00 0.41 0.00 0.00 41.25 41.45 1b7s s ASN 46 CO 0.16 -0.65 2.25 0.00 -1.51 0.00 0.00 177.10 177.35 1b7s h ALA 47 N 8.46 1.22 0.58 0.60 0.00 -1.95 -1.62 119.26 126.56 1b7s h ALA 47 Ca -0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1b7s h ALA 47 Cb 1.08 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1b7s h ALA 47 CO 0.84 0.03 -0.28 0.78 0.00 0.00 0.00 179.25 180.61 1b7s h GLY 48 N 0.32 -0.82 -2.88 0.00 0.00 -1.94 -3.28 103.07 94.47 1b7s h GLY 48 Ca -0.00 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1b7s h GLY 48 CO 0.00 -0.30 0.00 2.09 0.00 0.00 0.00 176.54 178.34 1b7s n ASP 49 N -4.17 5.09 -3.96 0.19 5.75 -1.23 -4.96 116.55 113.27 1b7s n ASP 49 Ca -0.10 -2.93 -0.29 0.00 -0.01 0.00 0.00 54.79 51.46 1b7s n ASP 49 Cb 0.31 -0.63 0.01 0.00 -1.03 0.00 0.00 41.12 39.77 1b7s n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1b7s n ARG 50 N 0.29 -4.46 -4.42 0.11 1.74 -0.63 -4.72 116.66 104.56 1b7s n ARG 50 Ca 0.26 0.51 -0.26 0.00 -0.77 0.00 0.00 57.85 57.59 1b7s n ARG 50 Cb 1.08 -5.17 -0.09 0.00 -1.02 0.00 0.00 32.46 27.26 1b7s n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1b7s s SER 51 N -3.69 4.05 0.02 0.55 1.04 -1.07 -4.29 113.70 110.32 1b7s s SER 51 Ca 0.44 -1.17 0.03 0.00 0.48 0.00 0.00 55.95 55.73 1b7s s SER 51 Cb -0.23 -0.44 -0.01 0.00 0.10 0.00 0.00 66.02 65.43 1b7s s SER 51 CO 0.86 -0.37 -0.09 -0.89 0.98 0.00 0.00 173.24 173.73 1b7s s THR 52 N -2.62 0.73 -0.21 2.02 2.01 -1.26 -0.35 115.64 115.96 1b7s s THR 52 Ca 0.36 -0.70 -0.09 0.00 0.31 0.00 0.00 61.69 61.57 1b7s s THR 52 Cb 0.05 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 1b7s s THR 52 CO 0.19 -0.01 0.11 -1.81 -0.69 0.00 0.00 174.62 172.41 1b7s s ASP 53 N -0.79 5.95 0.03 3.53 1.01 0.11 -0.94 116.67 125.57 1b7s s ASP 53 Ca -0.01 0.13 0.07 0.00 0.71 0.00 0.00 52.55 53.46 1b7s s ASP 53 Cb -0.06 -2.04 -0.03 0.00 1.01 0.00 0.00 42.92 41.79 1b7s s ASP 53 CO 0.00 0.14 -0.18 -0.31 0.21 0.00 0.00 175.17 175.03 1b7s s TYR 54 N 0.58 2.55 0.01 4.23 2.02 0.59 -0.62 117.35 126.71 1b7s s TYR 54 Ca 0.06 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.50 1b7s s TYR 54 Cb -0.12 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 39.96 1b7s s TYR 54 CO 0.01 0.23 0.00 0.41 -1.57 0.00 0.00 175.55 174.62 1b7s n GLY 55 N 1.66 -1.53 0.34 0.71 0.00 0.20 -1.90 105.19 104.67 1b7s n GLY 55 Ca -0.16 -1.21 0.14 0.00 0.00 0.00 0.00 46.02 44.78 1b7s n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b7s h ILE 56 N -0.02 0.87 -0.01 -0.61 2.10 -1.70 -1.78 117.51 116.36 1b7s h ILE 56 Ca 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.88 1b7s h ILE 56 Cb 0.02 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 36.44 1b7s h ILE 56 CO 0.00 0.03 -0.36 0.49 -1.08 0.00 0.00 178.15 177.23 1b7s n PHE 57 N -4.45 0.00 -3.39 2.19 0.99 -1.26 -3.97 117.46 107.57 1b7s n PHE 57 Ca 0.06 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.34 1b7s n PHE 57 Cb 0.38 0.00 0.07 0.00 -1.00 0.00 0.00 39.48 38.93 1b7s n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1b7s n GLN 58 N 0.03 -3.97 -2.61 -1.08 1.13 -0.67 -4.94 117.38 105.27 1b7s n GLN 58 Ca 0.08 0.81 -0.42 0.00 -1.94 0.00 0.00 57.00 55.53 1b7s n GLN 58 Cb 0.40 -5.66 -0.03 0.00 0.11 0.00 0.00 30.24 25.06 1b7s n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1b7s s ILE 59 N -3.41 4.54 0.06 5.09 1.01 -0.80 -4.46 121.20 123.23 1b7s s ILE 59 Ca 0.25 1.85 -0.27 0.00 0.00 0.00 0.00 60.65 62.48 1b7s s ILE 59 Cb -0.04 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 1b7s s ILE 59 CO 0.75 0.16 0.87 0.21 0.00 0.00 0.00 174.94 176.93 1b7s s ASN 60 N 0.90 7.34 0.47 3.58 3.84 -1.26 -0.30 114.94 129.51 1b7s s ASN 60 Ca 0.54 1.60 0.12 0.00 0.21 0.00 0.00 52.86 55.33 1b7s s ASN 60 Cb -0.24 -2.53 1.07 0.00 -0.55 0.00 0.00 41.25 39.01 1b7s s ASN 60 CO 0.29 -0.05 2.09 0.77 -2.79 0.00 0.00 177.10 177.40 1b7s h SER 61 N 5.80 0.18 -0.06 -4.21 4.64 -1.31 -2.56 113.55 116.02 1b7s h SER 61 Ca -0.43 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1b7s h SER 61 Cb 1.21 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1b7s h SER 61 CO 0.72 0.16 0.04 -0.09 -0.87 0.00 0.00 176.83 176.78 1b7s h ARG 62 N 0.20 0.08 0.00 4.77 2.43 -1.84 -3.37 114.38 116.66 1b7s h ARG 62 Ca 0.05 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1b7s h ARG 62 Cb 0.03 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1b7s h ARG 62 CO -0.01 0.06 -1.07 0.66 -1.51 0.00 0.00 179.97 178.10 1b7s n TYR 63 N -4.53 0.00 -0.04 2.20 4.02 -1.15 0.75 117.16 118.42 1b7s n TYR 63 Ca -0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.72 1b7s n TYR 63 Cb 0.09 -0.05 -0.14 0.00 -0.02 0.00 0.00 39.34 39.22 1b7s n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1b7s n TRP 64 N -2.55 0.78 -4.23 -0.72 7.02 -0.98 -1.81 117.44 114.96 1b7s n TRP 64 Ca -0.02 0.21 -0.13 0.00 -1.02 0.00 0.00 57.50 56.54 1b7s n TRP 64 Cb 0.52 -1.12 -0.10 0.00 -2.42 0.00 0.00 31.31 28.19 1b7s n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1b7s s ASN 66 N -3.17 4.89 0.00 0.00 2.47 -0.45 -4.62 114.94 114.07 1b7s s ASN 66 Ca 0.28 -0.23 0.01 0.00 0.42 0.00 0.00 52.86 53.35 1b7s s ASN 66 Cb 0.07 -1.86 0.03 0.00 -1.45 0.00 0.00 41.25 38.04 1b7s s ASN 66 CO 0.06 0.01 0.85 -0.90 -3.72 0.00 0.00 177.10 173.40 1b7s n ASP 67 N 4.64 1.75 0.00 -4.21 5.75 -1.26 -2.14 116.55 121.08 1b7s n ASP 67 Ca -0.17 -1.66 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 1b7s n ASP 67 Cb 0.51 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1b7s n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b7s n GLY 68 N -0.21 1.11 0.32 6.12 0.00 -1.26 -4.70 105.19 106.57 1b7s n GLY 68 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1b7s n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1b7s n LYS 69 N -1.56 1.77 -2.98 1.61 2.85 -1.26 -4.93 118.16 113.66 1b7s n LYS 69 Ca 0.00 -0.71 -0.41 0.00 -1.05 0.00 0.00 58.31 56.13 1b7s n LYS 69 Cb 0.00 -1.24 -0.05 0.00 -0.65 0.00 0.00 35.03 33.08 1b7s n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1b7s s THR 70 N -1.87 4.87 0.18 0.58 2.01 -1.26 -4.98 115.64 115.17 1b7s s THR 70 Ca 0.12 1.31 -0.32 0.00 0.31 0.00 0.00 61.69 63.11 1b7s s THR 70 Cb 0.12 -4.06 -0.11 0.00 0.01 0.00 0.00 72.50 68.45 1b7s s THR 70 CO 0.40 -0.09 1.74 -2.84 -0.69 0.00 0.00 174.62 173.14 1b7s s PRO 71 N 2.76 4.13 -1.26 4.92 0.02 -1.26 -3.14 135.00 141.18 1b7s s PRO 71 Ca 0.31 2.59 -0.06 0.00 0.02 0.00 0.00 61.00 63.86 1b7s s PRO 71 Cb -0.15 -3.21 0.04 0.00 0.02 0.00 0.00 34.50 31.20 1b7s s PRO 71 CO 0.09 -0.76 0.36 0.41 -0.33 0.00 0.00 177.00 176.77 1b7s n GLY 72 N 4.03 -0.50 3.86 0.52 0.00 -1.26 -4.97 105.19 106.87 1b7s n GLY 72 Ca 0.16 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1b7s n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b7s s ALA 73 N -2.88 1.97 0.19 4.61 0.00 -1.19 -5.05 121.76 119.41 1b7s s ALA 73 Ca 0.26 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.23 1b7s s ALA 73 Cb -0.13 -2.84 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 1b7s s ALA 73 CO 0.32 -2.52 -0.01 -1.12 0.00 0.00 0.00 175.76 172.43 1b7s s SER 74 N -4.60 1.50 -0.49 0.00 0.01 0.23 -4.99 113.70 105.36 1b7s s SER 74 Ca 0.71 -1.17 0.07 0.00 1.31 0.00 0.00 55.95 56.87 1b7s s SER 74 Cb -0.07 0.06 0.25 0.00 0.21 0.00 0.00 66.02 66.47 1b7s s SER 74 CO 0.53 -0.52 0.60 -3.20 0.41 0.00 0.00 173.24 171.07 1b7s n ASN 75 N -0.29 1.56 -0.30 2.44 5.15 -1.22 -3.77 115.26 118.83 1b7s n ASN 75 Ca -0.07 -2.98 -0.05 0.00 -0.60 0.00 0.00 54.58 50.88 1b7s n ASN 75 Cb 0.63 -0.65 0.07 0.00 -0.53 0.00 0.00 39.78 39.30 1b7s n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b7s h ALA 76 N 4.12 1.05 0.00 5.20 0.00 -1.25 -2.19 119.26 126.19 1b7s h ALA 76 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1b7s h ALA 76 Cb 0.80 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1b7s h ALA 76 CO 0.61 0.66 0.00 0.00 0.00 0.00 0.00 179.25 180.51 1b7s n HIS 78 N -1.43 -1.88 -4.22 0.00 -0.00 -0.83 -4.98 115.22 101.89 1b7s n HIS 78 Ca 0.09 0.76 -0.13 0.00 -0.00 0.00 0.00 57.72 58.43 1b7s n HIS 78 Cb 0.29 -4.08 -0.10 0.00 -0.00 0.00 0.00 29.99 26.10 1b7s n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1b7s s LEU 79 N -6.64 2.51 0.12 2.41 1.43 -1.26 -5.06 118.68 112.19 1b7s s LEU 79 Ca 0.10 -0.99 -0.20 0.00 -1.03 0.00 0.00 54.13 52.02 1b7s s LEU 79 Cb -0.03 -0.28 -0.07 0.00 0.03 0.00 0.00 46.19 45.84 1b7s s LEU 79 CO 0.83 -0.35 0.62 -0.55 0.23 0.00 0.00 176.35 177.14 1b7s s SER 80 N -3.05 7.09 0.03 2.29 0.15 -1.26 -1.33 113.70 117.61 1b7s s SER 80 Ca 0.14 1.33 0.04 0.00 0.70 0.00 0.00 55.95 58.16 1b7s s SER 80 Cb 0.02 -2.38 0.19 0.00 -1.71 0.00 0.00 66.02 62.15 1b7s s SER 80 CO -0.01 0.21 1.13 0.00 1.20 0.00 0.00 173.24 175.77 1b7s h SER 82 N 0.00 0.45 -0.10 0.00 0.87 -1.92 -2.90 113.55 109.95 1b7s h SER 82 Ca 0.00 -0.26 0.03 0.00 -1.23 0.00 0.00 61.79 60.32 1b7s h SER 82 Cb 0.04 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1b7s h SER 82 CO 0.00 0.96 0.23 0.00 -0.53 0.00 0.00 176.83 177.50 1b7s h ALA 83 N 1.04 1.49 -0.13 6.23 0.00 -0.76 0.17 119.26 127.30 1b7s h ALA 83 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1b7s h ALA 83 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1b7s h ALA 83 CO 0.11 -0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.35 1b7s n LEU 84 N -3.31 1.83 -0.48 0.00 4.77 -1.10 -3.95 117.00 114.77 1b7s n LEU 84 Ca -0.00 -0.72 0.05 0.00 -0.03 0.00 0.00 56.01 55.31 1b7s n LEU 84 Cb 0.32 -0.08 0.13 0.00 -2.33 0.00 0.00 43.42 41.46 1b7s n LEU 84 CO 0.21 0.36 0.61 0.18 -1.33 0.00 0.00 177.39 177.41 1b7s n LEU 85 N 0.43 2.83 -4.84 2.23 4.77 0.05 -3.29 117.00 119.18 1b7s n LEU 85 Ca 0.17 -2.30 -0.31 0.00 -0.03 0.00 0.00 56.01 53.54 1b7s n LEU 85 Cb 0.37 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1b7s n LEU 85 CO 0.14 0.66 0.71 -1.10 -1.33 0.00 0.00 177.39 176.48 1b7s s GLN 86 N -1.53 3.27 0.31 3.23 -0.21 -1.25 -4.58 119.66 118.90 1b7s s GLN 86 Ca 0.22 0.91 0.15 0.00 0.02 0.00 0.00 55.36 56.66 1b7s s GLN 86 Cb 0.15 -2.03 0.37 0.00 1.00 0.00 0.00 33.01 32.50 1b7s s GLN 86 CO 0.09 -0.84 1.59 -0.44 -2.12 0.00 0.00 175.29 173.58 1b7s h ASP 87 N -0.36 0.00 -3.21 5.90 5.19 -1.95 -3.40 116.42 118.59 1b7s h ASP 87 Ca -0.44 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.33 1b7s h ASP 87 Cb 1.20 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.57 1b7s h ASP 87 CO 0.59 0.51 0.38 0.21 -3.12 0.00 0.00 179.24 177.81 1b7s s ASN 88 N -6.53 6.29 0.00 6.45 3.84 -1.26 -4.94 114.94 118.80 1b7s s ASN 88 Ca 0.01 -0.57 0.19 0.00 0.21 0.00 0.00 52.86 52.71 1b7s s ASN 88 Cb 0.10 -2.38 1.16 0.00 -0.55 0.00 0.00 41.25 39.57 1b7s s ASN 88 CO 0.73 -1.11 1.56 2.30 -2.79 0.00 0.00 177.10 177.79 1b7s n ILE 89 N 5.98 0.00 -0.34 -5.21 -5.35 -1.26 -4.23 119.36 108.95 1b7s n ILE 89 Ca -0.01 0.00 0.17 0.00 -0.27 0.00 0.00 62.75 62.64 1b7s n ILE 89 Cb 0.47 -0.63 0.38 0.00 -1.74 0.00 0.00 39.64 38.12 1b7s n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b7s h ALA 90 N 3.24 1.76 0.02 -1.28 0.00 -1.95 0.77 119.26 121.82 1b7s h ALA 90 Ca 0.00 0.13 -0.26 0.00 0.00 0.00 0.00 54.91 54.78 1b7s h ALA 90 Cb 0.00 0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1b7s h ALA 90 CO 0.00 -0.27 -1.04 -0.44 0.00 0.00 0.00 179.25 177.50 1b7s h ASP 91 N 0.57 0.80 -0.70 0.00 3.45 -1.86 -2.26 116.42 116.42 1b7s h ASP 91 Ca 0.64 -0.65 -0.03 0.00 0.43 0.00 0.00 57.03 57.41 1b7s h ASP 91 Cb 1.20 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 39.69 1b7s h ASP 91 CO -0.48 1.46 0.34 0.00 -1.57 0.00 0.00 179.24 178.99 1b7s h ALA 92 N 0.49 1.23 -0.23 3.45 0.00 -1.33 -0.41 119.26 122.47 1b7s h ALA 92 Ca -0.12 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 1b7s h ALA 92 Cb 1.70 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1b7s h ALA 92 CO 0.20 0.58 -0.48 0.28 0.00 0.00 0.00 179.25 179.83 1b7s h VAL 93 N 1.03 1.31 -0.16 0.00 2.07 -0.96 -1.00 116.25 118.54 1b7s h VAL 93 Ca 0.25 -1.69 -0.10 0.00 0.82 0.00 0.00 66.70 65.99 1b7s h VAL 93 Cb 0.12 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1b7s h VAL 93 CO -0.03 0.53 -0.34 0.00 0.02 0.00 0.00 177.57 177.76 1b7s h ALA 94 N 0.98 1.14 0.08 1.67 0.00 -0.82 -2.36 119.26 119.94 1b7s h ALA 94 Ca 0.03 -0.37 -0.26 0.00 0.00 0.00 0.00 54.91 54.31 1b7s h ALA 94 Cb 1.02 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.71 1b7s h ALA 94 CO 0.09 0.56 -1.12 0.00 0.00 0.00 0.00 179.25 178.78 1b7s h ALA 96 N 0.61 1.51 -0.22 0.00 0.00 -1.07 -1.34 119.26 118.75 1b7s h ALA 96 Ca -0.12 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 1b7s h ALA 96 Cb 1.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1b7s h ALA 96 CO 0.19 0.26 -0.43 0.87 0.00 0.00 0.00 179.25 180.14 1b7s h LYS 97 N 0.00 0.68 -0.56 0.00 1.57 -1.39 -2.56 116.57 114.31 1b7s h LYS 97 Ca -0.00 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.32 1b7s h LYS 97 Cb 0.40 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1b7s h LYS 97 CO 0.03 1.06 0.27 -0.09 -0.57 0.00 0.00 179.45 180.15 1b7s h ARG 98 N 0.39 0.78 -0.25 3.15 9.65 -1.18 -1.95 114.38 124.97 1b7s h ARG 98 Ca 0.01 -0.09 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 1b7s h ARG 98 Cb 1.03 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.45 1b7s h ARG 98 CO 0.10 0.60 0.07 0.28 2.80 0.00 0.00 179.97 183.82 1b7s h VAL 99 N 0.78 1.20 0.00 0.20 2.07 -1.18 -2.93 116.25 116.40 1b7s h VAL 99 Ca 0.20 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1b7s h VAL 99 Cb 0.07 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1b7s h VAL 99 CO -0.03 0.21 0.00 1.33 0.02 0.00 0.00 177.57 179.10 1b7s n VAL 100 N -4.74 0.05 0.40 2.57 0.24 -0.82 -2.37 118.33 113.67 1b7s n VAL 100 Ca -0.03 0.01 0.04 0.00 -2.04 0.00 0.00 64.34 62.32 1b7s n VAL 100 Cb 0.17 -0.60 0.17 0.00 -1.47 0.00 0.00 33.84 32.11 1b7s n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1b7s n ARG 101 N -1.07 2.43 -4.11 7.34 1.74 -0.80 -4.36 116.66 117.83 1b7s n ARG 101 Ca 0.18 -1.31 -0.26 0.00 -0.77 0.00 0.00 57.85 55.68 1b7s n ARG 101 Cb 0.12 -1.67 -0.06 0.00 -1.02 0.00 0.00 32.46 29.83 1b7s n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1b7s s ASP 102 N -0.52 5.36 0.31 0.55 3.68 -1.00 -5.03 116.67 120.01 1b7s s ASP 102 Ca 0.23 -0.19 0.02 0.00 2.13 0.00 0.00 52.55 54.75 1b7s s ASP 102 Cb 0.16 -1.35 0.77 0.00 -1.45 0.00 0.00 42.92 41.06 1b7s s ASP 102 CO 0.09 0.07 1.57 1.55 0.13 0.00 0.00 175.17 178.58 1b7s h PRO 103 N 2.46 0.00 0.00 4.34 0.13 -1.88 0.12 132.00 137.18 1b7s h PRO 103 Ca -0.47 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1b7s h PRO 103 Cb 1.20 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1b7s h PRO 103 CO 0.62 0.00 -0.20 1.96 -0.23 0.00 0.00 178.00 180.16 1b7s h GLN 104 N 0.00 0.00 0.00 0.86 4.20 -1.92 -3.49 115.11 114.76 1b7s h GLN 104 Ca 0.61 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.32 1b7s h GLN 104 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1b7s h GLN 104 CO -0.93 0.20 0.00 0.41 -0.67 0.00 0.00 178.83 177.84 1b7s n GLY 105 N 0.25 1.92 0.22 3.46 0.00 0.42 -2.28 105.19 109.18 1b7s n GLY 105 Ca 0.01 -0.59 0.15 0.00 0.00 0.00 0.00 46.02 45.59 1b7s n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b7s h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.89 -0.95 117.51 120.15 1b7s h ILE 106 Ca 0.00 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.46 1b7s h ILE 106 Cb 0.00 0.70 0.00 0.00 0.47 0.00 0.00 36.82 37.99 1b7s h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1b7s n ARG 107 N -2.52 0.11 -0.26 2.19 1.74 -0.97 -2.95 116.66 114.00 1b7s n ARG 107 Ca -0.02 0.20 0.07 0.00 -0.77 0.00 0.00 57.85 57.34 1b7s n ARG 107 Cb 0.07 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 30.32 1b7s n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1b7s h ALA 108 N 2.58 1.65 -2.17 7.54 0.00 -1.34 -3.39 119.26 124.14 1b7s h ALA 108 Ca 0.00 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.27 1b7s h ALA 108 Cb 0.18 -0.20 -0.13 0.00 0.00 0.00 0.00 17.79 17.64 1b7s h ALA 108 CO 0.00 0.18 0.29 -1.58 0.00 0.00 0.00 179.25 178.14 1b7s s TRP 109 N -5.78 3.07 0.55 0.00 0.51 -1.15 -4.96 118.94 111.18 1b7s s TRP 109 Ca -0.11 0.30 0.23 0.00 -2.12 0.00 0.00 56.10 54.40 1b7s s TRP 109 Cb 0.20 -3.43 1.44 0.00 -0.81 0.00 0.00 33.47 30.88 1b7s s TRP 109 CO 0.79 -0.81 2.09 0.28 -0.51 0.00 0.00 176.95 178.79 1b7s h VAL 110 N 5.83 0.75 0.00 4.03 2.07 -1.90 -0.85 116.25 126.19 1b7s h VAL 110 Ca -0.25 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 1b7s h VAL 110 Cb 1.09 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1b7s h VAL 110 CO 0.91 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 178.07 1b7s h ALA 111 N 1.85 1.07 0.04 1.67 0.00 -1.95 -0.60 119.26 121.34 1b7s h ALA 111 Ca 0.10 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1b7s h ALA 111 Cb 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1b7s h ALA 111 CO -0.00 0.54 -0.02 2.35 0.00 0.00 0.00 179.25 182.12 1b7s h TRP 112 N 0.00 -0.04 -0.22 0.00 7.01 -1.48 0.76 115.95 121.98 1b7s h TRP 112 Ca -0.00 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.05 1b7s h TRP 112 Cb 0.89 0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.90 1b7s h TRP 112 CO 0.00 0.18 -0.20 0.00 -2.79 0.00 0.00 178.44 175.63 1b7s h ARG 113 N -0.26 -0.20 -0.42 2.65 3.08 -1.34 0.29 114.38 118.18 1b7s h ARG 113 Ca -0.00 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1b7s h ARG 113 Cb 0.24 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1b7s h ARG 113 CO 0.01 -0.14 0.04 -0.91 -1.07 0.00 0.00 179.97 177.90 1b7s h ASN 114 N -0.21 0.69 -0.02 7.04 2.35 -1.03 -3.31 115.58 121.09 1b7s h ASN 114 Ca 0.13 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1b7s h ASN 114 Cb 0.41 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1b7s h ASN 114 CO -0.34 0.81 0.00 -2.11 -1.65 0.00 0.00 177.43 174.13 1b7s n ARG 115 N -4.46 -0.08 0.00 0.81 0.00 0.25 -4.80 116.66 108.38 1b7s n ARG 115 Ca -0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 57.85 56.98 1b7s n ARG 115 Cb 0.26 -1.10 0.00 0.00 -0.00 0.00 0.00 32.46 31.62 1b7s n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1b7s s GLN 117 N -1.85 4.25 -1.29 0.00 0.74 -0.69 -2.72 119.66 118.10 1b7s s GLN 117 Ca 0.00 2.06 -0.05 0.00 0.05 0.00 0.00 55.36 57.42 1b7s s GLN 117 Cb 0.00 -3.61 0.01 0.00 1.10 0.00 0.00 33.01 30.51 1b7s s GLN 117 CO 0.00 -0.63 1.06 0.09 -0.55 0.00 0.00 175.29 175.26 1b7s n ASN 118 N 5.55 -3.99 -3.98 6.67 4.13 -1.26 -4.92 115.26 117.46 1b7s n ASN 118 Ca 0.14 -0.61 -0.09 0.00 1.68 0.00 0.00 54.58 55.70 1b7s n ASN 118 Cb 0.43 -4.94 -0.10 0.00 -1.54 0.00 0.00 39.78 33.62 1b7s n ASN 118 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1b7s s ARG 119 N -5.88 0.45 -0.50 3.52 1.81 -1.10 -5.09 118.95 112.15 1b7s s ARG 119 Ca 0.29 -0.76 -0.28 0.00 -1.72 0.00 0.00 55.73 53.26 1b7s s ARG 119 Cb -0.13 0.17 0.03 0.00 -0.45 0.00 0.00 34.95 34.57 1b7s s ARG 119 CO 0.74 -0.09 1.10 0.34 -0.68 0.00 0.00 175.30 176.71 1b7s s ASP 120 N -1.91 6.55 0.00 0.23 2.15 -1.26 -4.83 116.67 117.60 1b7s s ASP 120 Ca -0.09 0.27 0.24 0.00 0.43 0.00 0.00 52.55 53.40 1b7s s ASP 120 Cb -0.04 -2.53 0.26 0.00 -0.30 0.00 0.00 42.92 40.32 1b7s s ASP 120 CO -0.03 -1.27 1.24 1.33 -0.17 0.00 0.00 175.17 176.27 1b7s n VAL 121 N 6.70 0.01 -0.03 1.11 0.24 -1.26 -4.38 118.33 120.72 1b7s n VAL 121 Ca 0.10 -0.01 0.17 0.00 -2.04 0.00 0.00 64.34 62.55 1b7s n VAL 121 Cb 0.49 0.47 0.62 0.00 -1.47 0.00 0.00 33.84 33.95 1b7s n VAL 121 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1b7s h ARG 122 N 0.00 0.15 0.00 7.34 2.43 -1.88 -1.49 114.38 120.92 1b7s h ARG 122 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1b7s h ARG 122 Cb 0.51 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1b7s h ARG 122 CO 0.00 0.10 0.00 -0.56 -1.51 0.00 0.00 179.97 178.00 1b7s h GLN 123 N 0.15 0.00 0.00 0.20 3.07 -1.97 -2.29 115.11 114.27 1b7s h GLN 123 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.00 1b7s h GLN 123 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.39 1b7s h GLN 123 CO -0.04 0.00 0.00 1.88 0.09 0.00 0.00 178.83 180.76 1b7s h TYR 124 N 0.00 0.00 0.00 0.06 0.05 -1.60 -3.30 116.97 112.18 1b7s h TYR 124 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1b7s h TYR 124 Cb 0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.75 1b7s h TYR 124 CO 0.00 0.00 -0.04 1.33 -1.05 0.00 0.00 178.16 178.40 1b7s n VAL 125 N -2.68 1.42 -2.52 -2.88 0.24 -0.87 -4.82 118.33 106.21 1b7s n VAL 125 Ca 0.05 -1.65 -0.43 0.00 -2.04 0.00 0.00 64.34 60.27 1b7s n VAL 125 Cb 0.48 0.07 -0.02 0.00 -1.47 0.00 0.00 33.84 32.89 1b7s n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1b7s s GLN 126 N -2.02 4.30 0.00 7.34 -1.52 -1.17 -2.91 119.66 123.69 1b7s s GLN 126 Ca 0.19 1.56 0.00 0.00 -1.95 0.00 0.00 55.36 55.17 1b7s s GLN 126 Cb 0.17 -3.64 0.00 0.00 -0.22 0.00 0.00 33.01 29.32 1b7s s GLN 126 CO 0.02 -0.56 0.00 0.41 -0.25 0.00 0.00 175.29 174.91 1b7s n GLY 127 N 3.40 0.93 0.28 3.09 0.00 -1.26 -4.93 105.19 106.70 1b7s n GLY 127 Ca 0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.28 1b7s n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b7s n GLY 129 N 1.08 -0.51 0.66 0.00 0.00 -1.26 -4.80 105.19 100.35 1b7s n GLY 129 Ca 0.20 0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.37 1b7s n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65