#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bsk n PHE 14 N 0.00 0.00 1.95 3.69 7.35 -1.26 -4.46 117.46 124.73 2bsk n PHE 14 Ca 0.00 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.70 2bsk n PHE 14 Cb 0.00 0.00 0.06 0.00 0.35 0.00 0.00 39.48 39.89 2bsk n PHE 14 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2bsk n LYS 15 N -0.29 1.04 -0.10 -4.13 5.02 -1.26 -3.21 118.16 115.22 2bsk n LYS 15 Ca 0.01 -0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 56.00 2bsk n LYS 15 Cb 0.03 -1.04 -0.11 0.00 -0.02 0.00 0.00 35.03 33.89 2bsk n LYS 15 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2bsk n GLU 16 N -0.48 0.61 -0.24 1.97 2.13 -1.26 -3.83 120.64 119.53 2bsk n GLU 16 Ca 0.02 0.37 -0.07 0.00 0.66 0.00 0.00 57.16 58.14 2bsk n GLU 16 Cb 0.02 -1.62 0.04 0.00 0.27 0.00 0.00 31.44 30.15 2bsk n GLU 16 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 2bsk h PHE 17 N -0.71 0.99 -0.16 4.31 3.57 -1.86 -2.40 116.94 120.69 2bsk h PHE 17 Ca -0.51 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 60.86 2bsk h PHE 17 Cb 1.60 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 40.04 2bsk h PHE 17 CO 0.02 0.75 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.62 2bsk h LEU 18 N 0.94 0.42 -0.15 0.59 3.38 -1.77 0.23 115.31 118.94 2bsk h LEU 18 Ca 0.23 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.73 2bsk h LEU 18 Cb 0.15 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2bsk h LEU 18 CO -0.02 0.81 0.06 1.23 0.09 0.00 0.00 178.44 180.61 2bsk h GLY 19 N 0.03 0.19 2.00 0.83 0.00 -1.66 -0.69 103.07 103.77 2bsk h GLY 19 Ca 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2bsk h GLY 19 CO 0.04 0.03 -0.01 -0.84 0.00 0.00 0.00 176.54 175.76 2bsk h THR 20 N 0.14 0.74 -0.22 4.70 2.02 -1.39 0.52 112.91 119.41 2bsk h THR 20 Ca 0.06 -0.03 -0.18 0.00 0.77 0.00 0.00 66.41 67.03 2bsk h THR 20 Cb 0.03 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2bsk h THR 20 CO -0.06 0.01 -0.59 0.22 0.37 0.00 0.00 175.52 175.48 2bsk h TYR 21 N 0.00 0.91 -0.02 3.16 3.20 0.85 -1.71 116.97 123.35 2bsk h TYR 21 Ca -0.00 -0.34 -0.04 0.00 3.14 0.00 0.00 58.73 61.49 2bsk h TYR 21 Cb 0.02 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.13 2bsk h TYR 21 CO 0.00 1.13 -0.15 -0.91 -1.64 0.00 0.00 178.16 176.59 2bsk h ASN 22 N 0.54 0.16 -0.92 -2.11 2.35 0.27 -1.36 115.58 114.51 2bsk h ASN 22 Ca 0.00 -0.69 0.25 0.00 -0.55 0.00 0.00 56.30 55.31 2bsk h ASN 22 Cb 1.17 -0.05 -0.14 0.00 0.05 0.00 0.00 38.32 39.35 2bsk h ASN 22 CO 0.12 0.83 0.37 0.50 -1.65 0.00 0.00 177.43 177.60 2bsk h LYS 23 N -0.49 0.29 0.63 0.81 1.63 -0.06 -0.68 116.57 118.70 2bsk h LYS 23 Ca -0.01 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 2bsk h LYS 23 Cb 0.83 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 32.41 2bsk h LYS 23 CO 0.03 0.19 -0.30 1.25 -3.45 0.00 0.00 179.45 177.17 2bsk h LEU 24 N 0.30 -0.72 -0.65 5.20 5.85 -1.20 -2.88 115.31 121.20 2bsk h LEU 24 Ca 0.60 0.02 0.14 0.00 0.84 0.00 0.00 57.88 59.49 2bsk h LEU 24 Cb 1.25 0.19 -0.12 0.00 0.37 0.00 0.00 40.66 42.35 2bsk h LEU 24 CO -0.61 -0.35 -0.06 0.74 -0.34 0.00 0.00 178.44 177.82 2bsk h THR 25 N -1.17 0.41 0.06 1.05 2.02 -0.52 -0.83 112.91 113.93 2bsk h THR 25 Ca -0.09 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.08 2bsk h THR 25 Cb 0.65 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2bsk h THR 25 CO 0.14 0.01 -0.26 -0.08 0.37 0.00 0.00 175.52 175.71 2bsk h GLU 26 N 0.07 -0.35 -0.13 6.66 4.81 -1.24 -0.29 114.58 124.09 2bsk h GLU 26 Ca 0.34 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.60 2bsk h GLU 26 Cb 0.55 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 2bsk h GLU 26 CO -0.61 -0.24 -0.08 1.15 -0.73 0.00 0.00 179.01 178.51 2bsk h THR 27 N -0.37 0.00 -1.03 0.32 2.02 -1.11 0.38 112.91 113.12 2bsk h THR 27 Ca -0.00 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.45 2bsk h THR 27 Cb 0.37 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.66 2bsk h THR 27 CO -0.14 0.00 0.62 0.00 0.37 0.00 0.00 175.52 176.37 2bsk h PHE 29 N 0.46 0.01 0.29 0.00 3.57 0.11 0.18 116.94 121.56 2bsk h PHE 29 Ca 0.66 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.16 2bsk h PHE 29 Cb 1.46 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.16 2bsk h PHE 29 CO -0.01 0.20 -0.48 -0.07 -2.23 0.00 0.00 178.31 175.73 2bsk h LEU 30 N -0.18 -1.39 -0.90 0.59 3.38 0.40 -0.46 115.31 116.75 2bsk h LEU 30 Ca 0.00 0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 2bsk h LEU 30 Cb 0.20 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2bsk h LEU 30 CO -0.00 -0.58 -0.42 0.44 0.09 0.00 0.00 178.44 177.96 2bsk h ASP 31 N -0.83 0.00 0.17 -0.43 3.32 -1.01 -3.36 116.42 114.27 2bsk h ASP 31 Ca -0.02 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.68 2bsk h ASP 31 Cb 0.78 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.27 2bsk h ASP 31 CO -0.17 0.42 -2.15 0.00 -1.72 0.00 0.00 179.24 175.62 2bsk s VAL 33 N -2.53 5.19 -0.01 0.00 1.01 -0.20 -4.78 120.40 119.08 2bsk s VAL 33 Ca -0.10 -1.57 0.06 0.00 0.00 0.00 0.00 61.98 60.37 2bsk s VAL 33 Cb 0.07 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 2bsk s VAL 33 CO 0.81 -0.96 -0.19 -0.54 0.00 0.00 0.00 175.10 174.22 2bsk s LYS 34 N 1.60 2.24 -0.00 2.72 1.02 -1.26 -4.87 119.74 121.18 2bsk s LYS 34 Ca 0.08 -0.86 -0.01 0.00 0.02 0.00 0.00 55.97 55.20 2bsk s LYS 34 Cb -0.25 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 2bsk s LYS 34 CO 0.01 0.58 0.02 -0.25 -0.92 0.00 0.00 175.35 174.79 2bsk n ASP 35 N 2.07 -5.59 -4.40 2.83 8.00 -1.26 -5.00 116.55 113.21 2bsk n ASP 35 Ca -0.17 1.01 -0.38 0.00 0.71 0.00 0.00 54.79 55.96 2bsk n ASP 35 Cb 0.52 -3.36 -0.12 0.00 -0.02 0.00 0.00 41.12 38.14 2bsk n ASP 35 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2bsk s PHE 36 N -0.34 3.18 0.00 1.24 0.40 -1.26 -4.91 117.98 116.29 2bsk s PHE 36 Ca -0.02 -0.78 0.00 0.00 -0.60 0.00 0.00 56.93 55.53 2bsk s PHE 36 Cb 0.00 -2.33 0.00 0.00 0.51 0.00 0.00 43.02 41.20 2bsk s PHE 36 CO 0.06 -0.53 0.00 2.41 0.70 0.00 0.00 175.22 177.86 2bsk n THR 37 N 4.94 0.00 -4.43 0.64 -1.04 -1.26 -5.09 114.28 108.04 2bsk n THR 37 Ca -0.14 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.66 2bsk n THR 37 Cb 0.48 -0.58 -0.11 0.00 -1.82 0.00 0.00 70.33 68.31 2bsk n THR 37 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2bsk s THR 38 N -1.92 1.16 -0.64 12.58 -1.32 -1.26 -5.05 115.64 119.19 2bsk s THR 38 Ca 0.00 -2.01 -0.02 0.00 -1.21 0.00 0.00 61.69 58.46 2bsk s THR 38 Cb 0.00 -2.74 0.45 0.00 -1.51 0.00 0.00 72.50 68.71 2bsk s THR 38 CO 0.00 -0.04 2.03 -2.11 -2.21 0.00 0.00 174.62 172.29 2bsk n ARG 39 N -0.65 2.61 -3.68 7.08 1.85 -1.26 -4.82 116.66 117.80 2bsk n ARG 39 Ca -0.02 -3.18 -0.11 0.00 -1.00 0.00 0.00 57.85 53.54 2bsk n ARG 39 Cb 0.66 -2.25 -0.11 0.00 -1.05 0.00 0.00 32.46 29.71 2bsk n ARG 39 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2bsk s GLU 40 N -3.69 0.28 0.27 2.89 0.41 -1.26 -5.14 118.70 112.46 2bsk s GLU 40 Ca 0.63 0.84 -0.28 0.00 -0.41 0.00 0.00 54.97 55.74 2bsk s GLU 40 Cb 0.49 0.09 -0.15 0.00 -1.78 0.00 0.00 34.13 32.79 2bsk s GLU 40 CO -0.00 -0.22 0.88 0.28 -0.49 0.00 0.00 175.26 175.70 2bsk n VAL 41 N 4.94 2.00 -3.01 2.63 0.31 -1.26 -4.97 118.33 118.97 2bsk n VAL 41 Ca -0.14 -0.50 -0.36 0.00 -0.01 0.00 0.00 64.34 63.33 2bsk n VAL 41 Cb 0.51 -0.73 -0.06 0.00 -0.91 0.00 0.00 33.84 32.65 2bsk n VAL 41 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2bsk s LYS 42 N -1.41 4.35 0.18 5.55 2.20 -1.26 -4.89 119.74 124.46 2bsk s LYS 42 Ca 0.60 1.00 -0.16 0.00 -0.36 0.00 0.00 55.97 57.06 2bsk s LYS 42 Cb -0.76 -2.85 0.14 0.00 -1.51 0.00 0.00 37.83 32.85 2bsk s LYS 42 CO 0.59 0.35 1.66 -1.00 -0.36 0.00 0.00 175.35 176.60 2bsk h PRO 43 N 3.32 0.02 -0.78 4.03 0.13 -1.98 0.16 132.00 136.89 2bsk h PRO 43 Ca -0.48 -0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.81 2bsk h PRO 43 Cb 1.19 -0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 2bsk h PRO 43 CO 0.65 0.01 -0.20 0.93 -0.23 0.00 0.00 178.00 179.16 2bsk h GLU 44 N 0.02 -0.00 -0.12 0.86 3.07 -2.02 0.37 114.58 116.76 2bsk h GLU 44 Ca 0.23 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.92 2bsk h GLU 44 Cb 0.34 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2bsk h GLU 44 CO -0.46 -0.00 -0.62 0.93 -1.40 0.00 0.00 179.01 177.45 2bsk h GLU 45 N -0.00 0.43 -0.73 2.33 5.08 -1.59 -3.19 114.58 116.91 2bsk h GLU 45 Ca 0.37 -0.30 0.16 0.00 -1.00 0.00 0.00 59.36 58.59 2bsk h GLU 45 Cb 0.57 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.75 2bsk h GLU 45 CO -0.81 0.92 0.01 1.15 -1.00 0.00 0.00 179.01 179.28 2bsk h THR 46 N 0.32 0.37 -0.17 1.13 2.02 0.26 -0.79 112.91 116.05 2bsk h THR 46 Ca -0.01 -0.04 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 2bsk h THR 46 Cb 1.17 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2bsk h THR 46 CO 0.11 0.02 -0.32 0.71 0.37 0.00 0.00 175.52 176.41 2bsk h THR 47 N 0.11 1.34 -0.84 3.16 1.35 -1.50 -3.11 112.91 113.42 2bsk h THR 47 Ca 0.40 -1.56 0.13 0.00 -0.55 0.00 0.00 66.41 64.82 2bsk h THR 47 Cb 0.68 1.92 -0.14 0.00 -1.73 0.00 0.00 68.15 68.88 2bsk h THR 47 CO -0.63 0.48 -0.39 0.00 -0.25 0.00 0.00 175.52 174.72 2bsk h SER 49 N -0.07 0.66 0.40 0.00 4.64 -1.47 -0.00 113.55 117.72 2bsk h SER 49 Ca 0.29 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2bsk h SER 49 Cb 0.57 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2bsk h SER 49 CO -0.87 0.84 -0.24 -0.33 -0.87 0.00 0.00 176.83 175.36 2bsk h GLU 50 N 0.60 -0.59 0.14 4.77 5.08 -0.68 -2.57 114.58 121.34 2bsk h GLU 50 Ca 0.10 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2bsk h GLU 50 Cb 0.62 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2bsk h GLU 50 CO 0.04 -0.39 -0.07 0.45 -1.00 0.00 0.00 179.01 178.05 2bsk h HIS 51 N -0.61 -0.17 -1.05 4.33 3.86 -0.72 -2.00 115.15 118.80 2bsk h HIS 51 Ca -0.05 -0.00 0.30 0.00 -1.16 0.00 0.00 60.37 59.46 2bsk h HIS 51 Cb 0.49 0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.98 2bsk h HIS 51 CO -0.08 -0.10 1.13 0.00 0.86 0.00 0.00 177.93 179.73 2bsk h LEU 53 N 0.00 -0.00 0.62 0.00 5.85 -0.95 -2.76 115.31 118.07 2bsk h LEU 53 Ca 0.50 -0.89 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 2bsk h LEU 53 Cb 2.74 0.00 0.01 0.00 0.37 0.00 0.00 40.66 43.78 2bsk h LEU 53 CO -0.01 0.91 -0.30 1.56 -0.34 0.00 0.00 178.44 180.27 2bsk h GLN 54 N -0.95 -0.81 0.00 1.25 7.50 0.66 0.30 115.11 123.07 2bsk h GLN 54 Ca -0.00 0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.20 2bsk h GLN 54 Cb 0.89 0.18 0.00 0.00 0.05 0.00 0.00 27.48 28.60 2bsk h GLN 54 CO 0.00 -0.51 0.00 1.17 -1.50 0.00 0.00 178.83 177.99 2bsk n LYS 55 N -5.41 0.00 -0.33 1.46 3.00 0.05 -0.82 118.16 116.11 2bsk n LYS 55 Ca -0.13 0.71 0.25 0.00 -0.00 0.00 0.00 58.31 59.14 2bsk n LYS 55 Cb 0.35 -1.33 0.48 0.00 0.00 0.00 0.00 35.03 34.54 2bsk n LYS 55 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 2bsk h TYR 56 N 0.00 0.67 0.49 5.64 3.20 -1.52 -1.12 116.97 124.34 2bsk h TYR 56 Ca 0.00 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 2bsk h TYR 56 Cb 0.00 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.15 2bsk h TYR 56 CO -0.44 -0.36 -0.24 1.25 -1.64 0.00 0.00 178.16 176.73 2bsk h LEU 57 N 0.11 -0.56 -0.49 2.82 5.85 0.91 -2.36 115.31 121.60 2bsk h LEU 57 Ca 0.75 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 59.50 2bsk h LEU 57 Cb 1.82 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 42.90 2bsk h LEU 57 CO -0.74 -0.24 -0.32 0.11 -0.34 0.00 0.00 178.44 176.91 2bsk h LYS 58 N -0.89 -0.19 -0.68 1.25 6.56 0.21 -2.04 116.57 120.79 2bsk h LYS 58 Ca -0.07 0.01 0.06 0.00 -1.06 0.00 0.00 60.65 59.60 2bsk h LYS 58 Cb 0.59 0.04 -0.08 0.00 -0.57 0.00 0.00 32.23 32.21 2bsk h LYS 58 CO 0.11 -0.13 -0.40 -0.12 -2.06 0.00 0.00 179.45 176.85 2bsk n MET 59 N -5.42 -0.30 -0.03 3.15 0.00 -0.63 0.77 117.12 114.66 2bsk n MET 59 Ca 0.03 1.31 0.23 0.00 -0.00 0.00 0.00 57.70 59.26 2bsk n MET 59 Cb 0.34 -1.93 0.71 0.00 0.00 0.00 0.00 33.22 32.34 2bsk n MET 59 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2bsk h THR 60 N 0.00 0.62 0.50 1.12 2.02 -0.84 -0.67 112.91 115.65 2bsk h THR 60 Ca 0.11 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 2bsk h THR 60 Cb 0.28 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 2bsk h THR 60 CO -0.64 0.00 -0.24 1.56 0.37 0.00 0.00 175.52 176.57 2bsk h GLN 61 N 0.00 -0.64 0.16 6.66 4.20 0.84 -1.79 115.11 124.54 2bsk h GLN 61 Ca 0.29 0.04 0.01 0.00 0.06 0.00 0.00 58.65 59.05 2bsk h GLN 61 Cb 1.21 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 29.09 2bsk h GLN 61 CO -0.00 -0.36 -0.53 -0.09 -0.67 0.00 0.00 178.83 177.18 2bsk h ARG 62 N -1.09 -0.75 -0.84 1.46 2.43 -0.29 0.28 114.38 115.58 2bsk h ARG 62 Ca -0.07 0.05 0.21 0.00 -0.81 0.00 0.00 59.98 59.36 2bsk h ARG 62 Cb 0.58 0.17 -0.14 0.00 -0.42 0.00 0.00 29.97 30.16 2bsk h ARG 62 CO 0.11 -0.50 0.15 0.82 -1.51 0.00 0.00 179.97 179.04 2bsk h ILE 63 N -0.78 0.33 -0.63 1.20 2.04 -1.27 0.52 117.51 118.92 2bsk h ILE 63 Ca -0.01 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.81 2bsk h ILE 63 Cb 0.77 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 2bsk h ILE 63 CO -0.26 0.03 0.39 -1.28 0.00 0.00 0.00 178.15 177.03 2bsk h SER 64 N 0.17 0.64 0.26 1.72 0.87 -0.04 0.72 113.55 117.89 2bsk h SER 64 Ca 0.50 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 61.05 2bsk h SER 64 Cb 0.97 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 2bsk h SER 64 CO -0.66 0.45 -0.12 -0.03 -0.53 0.00 0.00 176.83 175.94 2bsk h MET 65 N 0.77 -0.33 -0.18 2.24 1.85 0.32 -2.32 114.93 117.28 2bsk h MET 65 Ca 0.25 0.02 0.05 0.00 -0.61 0.00 0.00 59.70 59.41 2bsk h MET 65 Cb 0.01 0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.11 2bsk h MET 65 CO -0.10 -0.03 0.32 0.00 -0.40 0.00 0.00 176.91 176.70 2bsk h ARG 66 N -0.64 0.00 -0.04 0.39 2.47 -0.10 0.14 114.38 116.60 2bsk h ARG 66 Ca -0.04 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.60 2bsk h ARG 66 Cb 0.46 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.78 2bsk h ARG 66 CO 0.06 0.00 -0.32 0.35 0.56 0.00 0.00 179.97 180.62 2bsk h PHE 67 N 0.00 0.39 -0.61 3.04 3.57 -0.41 -3.24 116.94 119.69 2bsk h PHE 67 Ca 0.09 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 2bsk h PHE 67 Cb 0.73 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 2bsk h PHE 67 CO 0.00 0.94 0.31 1.96 -2.23 0.00 0.00 178.31 179.30 2bsk h GLN 68 N -0.27 0.84 0.00 1.11 1.08 -0.25 -1.66 115.11 115.96 2bsk h GLN 68 Ca -0.03 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 2bsk h GLN 68 Cb 1.00 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 2bsk h GLN 68 CO 0.06 0.63 0.00 0.39 -0.95 0.00 0.00 178.83 178.97 2bsk n GLU 69 N -4.37 0.41 -0.08 1.46 1.02 -0.57 -2.96 120.64 115.54 2bsk n GLU 69 Ca 0.06 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.12 2bsk n GLU 69 Cb 0.11 -1.10 -0.03 0.00 -0.02 0.00 0.00 31.44 30.41 2bsk n GLU 69 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2bsk n TYR 70 N -0.60 0.08 0.11 -0.32 9.36 -0.62 -4.45 117.16 120.72 2bsk n TYR 70 Ca 0.02 0.03 0.19 0.00 3.32 0.00 0.00 57.90 61.46 2bsk n TYR 70 Cb 0.01 -0.48 0.66 0.00 -0.63 0.00 0.00 39.34 38.89 2bsk n TYR 70 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2bsk h HIS 71 N -0.91 0.00 -0.38 2.98 3.86 -1.63 0.40 115.15 119.46 2bsk h HIS 71 Ca 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 2bsk h HIS 71 Cb 0.87 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.33 2bsk h HIS 71 CO -0.38 0.00 0.07 0.82 0.86 0.00 0.00 177.93 179.31 2bsk h ILE 72 N 0.00 1.24 -0.22 2.45 1.08 -1.77 -1.50 117.51 118.79 2bsk h ILE 72 Ca 0.19 -0.83 0.04 0.00 -0.39 0.00 0.00 64.86 63.87 2bsk h ILE 72 Cb 1.37 1.04 -0.03 0.00 -3.07 0.00 0.00 36.82 36.12 2bsk h ILE 72 CO -0.00 0.28 0.00 1.56 -0.69 0.00 0.00 178.15 179.30 2bsk h GLN 73 N 0.48 0.07 -0.35 2.37 7.50 -1.13 -2.80 115.11 121.25 2bsk h GLN 73 Ca 0.12 -0.00 -0.14 0.00 0.50 0.00 0.00 58.65 59.12 2bsk h GLN 73 Cb 0.34 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.85 2bsk h GLN 73 CO 0.01 0.05 -0.35 -0.56 -1.50 0.00 0.00 178.83 176.47 2bsk h GLN 74 N 0.07 0.80 0.00 1.46 -0.00 -1.61 -3.53 115.11 112.30 2bsk h GLN 74 Ca 0.10 -0.39 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 2bsk h GLN 74 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.61 2bsk h GLN 74 CO -0.17 1.02 0.00 0.27 -0.00 0.00 0.00 178.83 179.96