#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibm n SER 17 N 0.00 -3.94 -3.66 3.54 3.41 -1.26 -4.87 113.62 106.84 1ibm n SER 17 Ca 0.00 0.29 -0.41 0.00 -0.26 0.00 0.00 58.87 58.49 1ibm n SER 17 Cb 0.00 -3.54 0.02 0.00 -0.26 0.00 0.00 64.21 60.43 1ibm n SER 17 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ibm n ARG 18 N -2.21 5.20 0.02 4.33 5.12 -1.26 -4.51 116.66 123.34 1ibm n ARG 18 Ca -0.15 -4.47 -0.00 0.00 -1.93 0.00 0.00 57.85 51.30 1ibm n ARG 18 Cb 0.52 -2.51 -0.00 0.00 -1.16 0.00 0.00 32.46 29.31 1ibm n ARG 18 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1ibm n LYS 19 N 0.41 0.00 0.00 5.56 4.01 -1.26 -5.14 118.16 121.74 1ibm n LYS 19 Ca 0.47 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.27 1ibm n LYS 19 Cb 0.27 -0.17 0.00 0.00 -0.51 0.00 0.00 35.03 34.62 1ibm n LYS 19 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ibm n ALA 20 N -2.83 0.00 -2.16 7.82 0.00 -1.26 -5.12 120.51 116.96 1ibm n ALA 20 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1ibm n ALA 20 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1ibm n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ibm s LYS 21 N -1.51 4.01 0.38 0.00 3.01 -1.26 -4.88 119.74 119.49 1ibm s LYS 21 Ca 0.00 1.81 0.20 0.00 -1.01 0.00 0.00 55.97 56.97 1ibm s LYS 21 Cb 0.00 -3.96 1.24 0.00 -1.01 0.00 0.00 37.83 34.11 1ibm s LYS 21 CO 0.00 -1.02 1.64 0.28 0.51 0.00 0.00 175.35 176.76 1ibm h VAL 22 N 5.82 0.19 -0.95 3.17 2.07 -1.29 0.19 116.25 125.45 1ibm h VAL 22 Ca -0.34 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.21 1ibm h VAL 22 Cb 1.15 -0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 1ibm h VAL 22 CO 0.98 0.03 0.61 0.50 0.02 0.00 0.00 177.57 179.72 1ibm h LYS 23 N 0.19 0.96 0.94 1.57 3.64 -1.80 -2.81 116.57 119.26 1ibm h LYS 23 Ca 0.78 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 60.05 1ibm h LYS 23 Cb 2.04 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 33.65 1ibm h LYS 23 CO -0.58 0.64 -0.45 0.00 -2.27 0.00 0.00 179.45 176.79 1ibm h ALA 24 N 1.52 -1.26 0.00 5.00 0.00 -0.93 -3.08 119.26 120.52 1ibm h ALA 24 Ca 0.44 -0.28 -0.45 0.00 0.00 0.00 0.00 54.91 54.62 1ibm h ALA 24 Cb 0.36 0.49 0.03 0.00 0.00 0.00 0.00 17.79 18.67 1ibm h ALA 24 CO -0.20 -1.21 2.37 2.41 0.00 0.00 0.00 179.25 182.63 1ibm n THR 25 N -5.63 2.01 -3.85 0.00 -1.04 -1.06 -4.67 114.28 100.04 1ibm n THR 25 Ca -0.16 -1.37 -0.02 0.00 -2.04 0.00 0.00 64.05 60.45 1ibm n THR 25 Cb 0.50 -2.15 0.01 0.00 -1.82 0.00 0.00 70.33 66.87 1ibm n THR 25 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1ibm s LEU 26 N 0.45 -0.03 0.00 -4.42 2.96 -1.16 -4.97 118.68 111.51 1ibm s LEU 26 Ca 0.43 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 1ibm s LEU 26 Cb 0.11 1.97 0.00 0.00 0.50 0.00 0.00 46.19 48.77 1ibm s LEU 26 CO 0.03 -0.86 0.00 0.61 -1.32 0.00 0.00 176.35 174.81 1ibm n GLY 27 N -0.67 6.33 3.57 7.98 0.00 -1.26 -5.01 105.19 116.12 1ibm n GLY 27 Ca -0.03 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 43.85 1ibm n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ibm s GLU 28 N 0.19 2.12 0.16 1.61 8.01 -1.26 -4.89 118.70 124.64 1ibm s GLU 28 Ca 0.00 -0.24 0.08 0.00 0.01 0.00 0.00 54.97 54.82 1ibm s GLU 28 Cb 0.00 -5.01 -0.04 0.00 -4.31 0.00 0.00 34.13 24.77 1ibm s GLU 28 CO 0.00 -4.03 -0.09 -0.59 0.01 0.00 0.00 175.26 170.56 1ibm s PHE 29 N 12.35 2.66 -0.62 1.61 -0.12 -1.26 -5.08 117.98 127.53 1ibm s PHE 29 Ca 0.77 -0.20 -0.19 0.00 -0.05 0.00 0.00 56.93 57.25 1ibm s PHE 29 Cb -0.07 -1.32 0.10 0.00 -0.63 0.00 0.00 43.02 41.09 1ibm s PHE 29 CO 0.06 0.49 0.76 0.34 -0.05 0.00 0.00 175.22 176.82 1ibm s ASP 30 N -2.68 6.20 0.53 1.98 2.15 -1.26 -4.90 116.67 118.70 1ibm s ASP 30 Ca 0.24 -1.40 0.24 0.00 0.43 0.00 0.00 52.55 52.06 1ibm s ASP 30 Cb -0.09 -2.32 1.29 0.00 -0.30 0.00 0.00 42.92 41.50 1ibm s ASP 30 CO 0.15 -1.17 1.70 -0.07 -0.17 0.00 0.00 175.17 175.61 1ibm h LEU 31 N 10.20 0.00 0.00 -1.34 3.38 -1.98 0.66 115.31 126.23 1ibm h LEU 31 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1ibm h LEU 31 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1ibm h LEU 31 CO 1.11 0.00 -0.37 -0.09 0.09 0.00 0.00 178.44 179.18 1ibm h ARG 32 N 0.00 0.00 -6.39 1.13 2.43 -1.91 -3.40 114.38 106.25 1ibm h ARG 32 Ca 0.00 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.60 1ibm h ARG 32 Cb 0.61 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.11 1ibm h ARG 32 CO 0.00 0.00 0.99 0.34 -1.51 0.00 0.00 179.97 179.79 1ibm s ASP 33 N -4.69 6.61 -0.01 -3.80 2.15 0.22 -4.89 116.67 112.26 1ibm s ASP 33 Ca 0.07 1.14 0.18 0.00 0.43 0.00 0.00 52.55 54.37 1ibm s ASP 33 Cb 0.12 -2.54 0.53 0.00 -0.30 0.00 0.00 42.92 40.73 1ibm s ASP 33 CO 0.68 -1.15 1.44 0.00 -0.17 0.00 0.00 175.17 175.97 1ibm n TYR 34 N 7.85 0.84 0.22 -5.34 0.18 -1.26 -3.93 117.16 115.72 1ibm n TYR 34 Ca 0.15 -0.41 0.02 0.00 1.88 0.00 0.00 57.90 59.55 1ibm n TYR 34 Cb 0.47 -0.02 -0.03 0.00 -0.38 0.00 0.00 39.34 39.38 1ibm n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1ibm n ARG 35 N 1.20 5.35 -0.69 -3.48 1.74 -1.26 -4.19 116.66 115.33 1ibm n ARG 35 Ca 0.20 -0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.20 1ibm n ARG 35 Cb 0.53 -0.73 -0.12 0.00 -1.02 0.00 0.00 32.46 31.12 1ibm n ARG 35 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ibm n ASN 36 N -1.12 3.64 -0.25 0.55 4.05 -1.25 -4.72 115.26 116.15 1ibm n ASN 36 Ca 0.01 -2.18 -0.07 0.00 0.45 0.00 0.00 54.58 52.79 1ibm n ASN 36 Cb 0.08 -0.99 -0.06 0.00 1.23 0.00 0.00 39.78 40.04 1ibm n ASN 36 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1ibm n VAL 37 N 2.66 -0.41 -0.55 3.44 0.31 -1.26 -0.33 118.33 122.19 1ibm n VAL 37 Ca 0.30 1.55 0.44 0.00 -0.01 0.00 0.00 64.34 66.62 1ibm n VAL 37 Cb 0.64 -1.93 0.72 0.00 -0.91 0.00 0.00 33.84 32.36 1ibm n VAL 37 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1ibm n GLU 38 N -4.62 -0.02 -0.08 5.55 0.00 -1.26 -0.64 120.64 119.56 1ibm n GLU 38 Ca 0.01 1.17 -0.19 0.00 0.00 0.00 0.00 57.16 58.16 1ibm n GLU 38 Cb 0.16 -2.44 -0.13 0.00 0.00 0.00 0.00 31.44 29.03 1ibm n GLU 38 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1ibm n VAL 39 N -4.39 1.59 0.10 3.84 3.14 0.56 -4.48 118.33 118.69 1ibm n VAL 39 Ca 0.41 -0.62 -0.13 0.00 -2.96 0.00 0.00 64.34 61.04 1ibm n VAL 39 Cb 1.70 -1.47 -0.08 0.00 -1.06 0.00 0.00 33.84 32.94 1ibm n VAL 39 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1ibm h LEU 40 N 0.02 -0.17 -0.09 6.55 3.38 -0.74 -2.35 115.31 121.91 1ibm h LEU 40 Ca -0.52 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1ibm h LEU 40 Cb 1.96 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.76 1ibm h LEU 40 CO -0.02 -0.03 0.95 0.50 0.09 0.00 0.00 178.44 179.93 1ibm h LYS 41 N -0.30 0.00 -0.21 1.13 3.64 -1.10 1.40 116.57 121.13 1ibm h LYS 41 Ca -0.02 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 1ibm h LYS 41 Cb 0.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1ibm h LYS 41 CO 0.03 0.00 -0.46 0.00 -2.27 0.00 0.00 179.45 176.75 1ibm h ARG 42 N 0.00 0.53 -0.08 1.90 2.47 -1.65 -3.18 114.38 114.37 1ibm h ARG 42 Ca 0.00 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 1ibm h ARG 42 Cb 1.91 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.24 1ibm h ARG 42 CO 0.00 0.88 0.00 1.19 0.56 0.00 0.00 179.97 182.60 1ibm n PHE 43 N -4.00 0.10 -4.04 3.04 3.01 0.48 -4.82 117.46 111.24 1ibm n PHE 43 Ca -0.02 -0.05 -0.34 0.00 1.01 0.00 0.00 57.45 58.04 1ibm n PHE 43 Cb 0.55 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.95 1ibm n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ibm s LEU 44 N -1.53 4.09 0.00 4.37 1.43 -1.20 0.35 118.68 126.20 1ibm s LEU 44 Ca 0.28 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1ibm s LEU 44 Cb 0.14 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 44.13 1ibm s LEU 44 CO 0.22 0.32 0.00 -1.54 0.23 0.00 0.00 176.35 175.58 1ibm n SER 45 N 1.49 0.00 -2.24 2.29 3.41 0.89 -4.79 113.62 114.67 1ibm n SER 45 Ca -0.15 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.25 1ibm n SER 45 Cb 0.53 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.41 1ibm n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ibm n GLU 46 N 0.00 2.16 -3.61 4.33 4.71 -1.26 -4.69 120.64 122.28 1ibm n GLU 46 Ca 0.00 -1.78 -0.01 0.00 -0.01 0.00 0.00 57.16 55.36 1ibm n GLU 46 Cb 0.00 -1.99 -0.01 0.00 -1.01 0.00 0.00 31.44 28.42 1ibm n GLU 46 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1ibm s THR 47 N -1.27 0.00 0.00 2.62 2.01 -1.26 -4.59 115.64 113.15 1ibm s THR 47 Ca 0.55 -0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.50 1ibm s THR 47 Cb 0.33 -1.39 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 1ibm s THR 47 CO -0.13 0.00 1.45 0.61 -0.69 0.00 0.00 174.62 175.86 1ibm n GLY 48 N -0.22 1.75 3.36 4.40 0.00 -1.26 -4.58 105.19 108.64 1ibm n GLY 48 Ca -0.02 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1ibm n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ibm s LYS 49 N 1.23 3.25 -0.11 1.61 1.02 -1.26 -4.21 119.74 121.27 1ibm s LYS 49 Ca 0.12 -0.74 -0.29 0.00 0.02 0.00 0.00 55.97 55.07 1ibm s LYS 49 Cb 0.06 -3.32 -0.06 0.00 -0.52 0.00 0.00 37.83 33.99 1ibm s LYS 49 CO 0.00 -0.36 1.92 0.42 -0.92 0.00 0.00 175.35 176.42 1ibm s ILE 50 N 1.52 3.24 0.67 2.17 1.01 -1.26 -0.08 121.20 128.47 1ibm s ILE 50 Ca 0.04 0.27 -0.17 0.00 0.00 0.00 0.00 60.65 60.79 1ibm s ILE 50 Cb -0.16 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.08 1ibm s ILE 50 CO 0.02 -0.09 1.28 -0.76 0.00 0.00 0.00 174.94 175.39 1ibm s LEU 51 N 5.71 3.51 1.19 2.97 1.43 0.16 -4.92 118.68 128.73 1ibm s LEU 51 Ca 0.86 2.57 -0.19 0.00 -1.03 0.00 0.00 54.13 56.34 1ibm s LEU 51 Cb -0.34 -4.61 0.28 0.00 0.03 0.00 0.00 46.19 41.54 1ibm s LEU 51 CO 0.35 -2.08 1.10 -2.84 0.23 0.00 0.00 176.35 173.11 1ibm s PRO 52 N -3.50 -1.13 0.36 1.29 0.02 -1.26 -4.72 135.00 126.07 1ibm s PRO 52 Ca 0.81 0.00 0.20 0.00 0.02 0.00 0.00 61.00 62.03 1ibm s PRO 52 Cb -0.36 -1.60 0.21 0.00 0.02 0.00 0.00 34.50 32.77 1ibm s PRO 52 CO 0.41 -3.66 1.50 0.00 -0.33 0.00 0.00 177.00 174.92 1ibm h ARG 53 N -2.55 0.00 0.00 5.54 3.08 -1.95 0.28 114.38 118.78 1ibm h ARG 53 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1ibm h ARG 53 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1ibm h ARG 53 CO 0.37 0.21 0.00 2.89 -1.07 0.00 0.00 179.97 182.36 1ibm n ARG 54 N -3.13 0.47 0.00 0.04 1.85 -1.26 -0.29 116.66 114.34 1ibm n ARG 54 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 1ibm n ARG 54 Cb 0.62 -1.26 0.00 0.00 -1.05 0.00 0.00 32.46 30.78 1ibm n ARG 54 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1ibm n ARG 55 N -0.76 0.00 -0.06 2.89 5.12 -1.10 -4.78 116.66 117.97 1ibm n ARG 55 Ca 0.06 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.84 1ibm n ARG 55 Cb 0.03 -0.52 -0.13 0.00 -1.16 0.00 0.00 32.46 30.68 1ibm n ARG 55 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1ibm h THR 56 N 0.00 1.73 -2.88 0.55 1.35 -0.94 -1.94 112.91 110.78 1ibm h THR 56 Ca 0.00 -2.16 -0.01 0.00 -0.55 0.00 0.00 66.41 63.69 1ibm h THR 56 Cb 0.13 3.20 0.01 0.00 -1.73 0.00 0.00 68.15 69.76 1ibm h THR 56 CO 0.00 0.56 -0.04 0.61 -0.25 0.00 0.00 175.52 176.40 1ibm n GLY 57 N 1.39 0.71 3.37 5.82 0.00 0.60 -2.86 105.19 114.22 1ibm n GLY 57 Ca -0.10 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 1ibm n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ibm s LEU 58 N -2.89 2.18 0.70 0.99 1.43 -1.26 -4.81 118.68 115.03 1ibm s LEU 58 Ca 0.02 -1.27 -0.15 0.00 -1.03 0.00 0.00 54.13 51.70 1ibm s LEU 58 Cb -0.00 -0.32 0.02 0.00 0.03 0.00 0.00 46.19 45.92 1ibm s LEU 58 CO 0.04 -0.53 1.15 -0.94 0.23 0.00 0.00 176.35 176.30 1ibm s SER 59 N -3.37 4.60 0.45 2.29 1.04 -1.26 -4.53 113.70 112.92 1ibm s SER 59 Ca 0.31 2.16 0.23 0.00 0.48 0.00 0.00 55.95 59.13 1ibm s SER 59 Cb 0.06 -2.57 1.23 0.00 0.10 0.00 0.00 66.02 64.84 1ibm s SER 59 CO 0.11 -1.98 1.83 1.23 0.98 0.00 0.00 173.24 175.42 1ibm h GLY 60 N -0.22 0.68 0.48 7.32 0.00 -2.00 0.95 103.07 110.29 1ibm h GLY 60 Ca -0.47 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 1ibm h GLY 60 CO 0.52 -0.04 -0.05 1.70 0.00 0.00 0.00 176.54 178.66 1ibm h LYS 61 N 0.27 0.08 0.13 4.80 3.64 -1.98 -0.35 116.57 123.15 1ibm h LYS 61 Ca 0.50 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.82 1ibm h LYS 61 Cb 1.50 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1ibm h LYS 61 CO -0.15 0.64 -0.06 0.93 -2.27 0.00 0.00 179.45 178.54 1ibm h GLU 62 N -0.47 -0.16 -0.88 1.90 5.08 -1.14 -2.33 114.58 116.57 1ibm h GLU 62 Ca 0.00 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1ibm h GLU 62 Cb 0.64 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 1ibm h GLU 62 CO 0.01 0.05 0.57 0.37 -1.00 0.00 0.00 179.01 179.01 1ibm h GLN 63 N -0.35 0.85 -0.88 2.33 5.75 0.73 -0.36 115.11 123.18 1ibm h GLN 63 Ca -0.02 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 1ibm h GLN 63 Cb 0.28 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 1ibm h GLN 63 CO 0.03 0.56 0.46 -0.09 -2.65 0.00 0.00 178.83 177.14 1ibm h ARG 64 N 0.87 1.24 -0.10 1.69 2.43 -0.78 -2.52 114.38 117.21 1ibm h ARG 64 Ca 0.40 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 1ibm h ARG 64 Cb 0.40 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1ibm h ARG 64 CO -0.17 0.93 -0.15 0.82 -1.51 0.00 0.00 179.97 179.89 1ibm h ILE 65 N 1.24 1.38 -0.06 1.20 2.04 -0.58 -2.92 117.51 119.82 1ibm h ILE 65 Ca 0.31 -1.38 0.01 0.00 1.00 0.00 0.00 64.86 64.80 1ibm h ILE 65 Cb 0.07 2.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 1ibm h ILE 65 CO -0.04 0.40 -0.23 0.25 0.00 0.00 0.00 178.15 178.52 1ibm h LEU 66 N -0.14 -0.74 -0.90 1.44 5.85 -1.05 0.12 115.31 119.89 1ibm h LEU 66 Ca 0.01 0.09 0.18 0.00 0.84 0.00 0.00 57.88 58.99 1ibm h LEU 66 Cb 0.71 0.29 -0.17 0.00 0.37 0.00 0.00 40.66 41.86 1ibm h LEU 66 CO 0.04 -0.21 -0.24 0.00 -0.34 0.00 0.00 178.44 177.69 1ibm n ALA 67 N -2.76 0.19 -0.00 1.25 0.00 -0.96 0.15 120.51 118.38 1ibm n ALA 67 Ca -0.03 0.98 -0.11 0.00 0.00 0.00 0.00 53.44 54.29 1ibm n ALA 67 Cb 0.16 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 1ibm n ALA 67 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ibm h LYS 68 N 0.00 0.09 0.58 0.00 1.63 -1.10 -2.65 116.57 115.11 1ibm h LYS 68 Ca 0.42 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.19 1ibm h LYS 68 Cb 0.64 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 1ibm h LYS 68 CO -0.92 0.06 -0.47 1.15 -3.45 0.00 0.00 179.45 175.82 1ibm h THR 69 N 0.09 0.00 -0.85 1.00 2.02 0.40 -3.02 112.91 112.55 1ibm h THR 69 Ca 0.04 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.36 1ibm h THR 69 Cb 0.02 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.28 1ibm h THR 69 CO -0.04 0.00 -0.37 0.40 0.37 0.00 0.00 175.52 175.88 1ibm h ILE 70 N -1.01 0.06 -1.02 3.11 2.04 -0.77 0.38 117.51 120.29 1ibm h ILE 70 Ca -0.08 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.05 1ibm h ILE 70 Cb 0.85 0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 1ibm h ILE 70 CO 0.00 0.00 0.68 0.11 0.00 0.00 0.00 178.15 178.95 1ibm h LYS 71 N -0.06 0.26 -0.30 2.37 1.57 -1.35 0.30 116.57 119.37 1ibm h LYS 71 Ca 0.31 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 59.01 1ibm h LYS 71 Cb 0.58 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1ibm h LYS 71 CO -0.88 0.17 -0.05 0.00 -0.57 0.00 0.00 179.45 178.12 1ibm h ARG 72 N 0.27 0.55 -0.94 3.15 3.08 -0.18 -2.72 114.38 117.59 1ibm h ARG 72 Ca 0.54 -0.20 0.07 0.00 0.07 0.00 0.00 59.98 60.46 1ibm h ARG 72 Cb 1.61 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.56 1ibm h ARG 72 CO -0.18 0.73 0.61 0.00 -1.07 0.00 0.00 179.97 180.07 1ibm h ALA 73 N 0.80 1.48 0.36 0.04 0.00 -0.05 -0.93 119.26 120.96 1ibm h ALA 73 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ibm h ALA 73 Cb 0.51 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ibm h ALA 73 CO 0.02 0.37 -0.25 0.00 0.00 0.00 0.00 179.25 179.39 1ibm h ARG 74 N 1.07 -0.58 -0.07 0.00 3.08 -0.93 0.35 114.38 117.30 1ibm h ARG 74 Ca 0.41 0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.53 1ibm h ARG 74 Cb 0.20 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1ibm h ARG 74 CO -0.16 -0.39 -0.15 0.82 -1.07 0.00 0.00 179.97 179.03 1ibm h ILE 75 N -0.60 0.62 -0.21 2.04 2.04 -1.15 0.15 117.51 120.40 1ibm h ILE 75 Ca -0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1ibm h ILE 75 Cb 0.52 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1ibm h ILE 75 CO 0.01 0.00 0.26 -0.07 0.00 0.00 0.00 178.15 178.35 1ibm h LEU 76 N -0.21 0.00 0.00 1.44 3.38 -0.92 -3.45 115.31 115.55 1ibm h LEU 76 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ibm h LEU 76 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1ibm h LEU 76 CO -0.20 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.94 1ibm n GLY 77 N -1.39 0.74 0.08 0.83 0.00 0.98 -4.95 105.19 101.48 1ibm n GLY 77 Ca 0.02 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 1ibm n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ibm n LEU 78 N 0.00 0.83 -4.37 0.99 4.77 0.19 -4.89 117.00 114.52 1ibm n LEU 78 Ca 0.00 0.38 -0.30 0.00 -0.03 0.00 0.00 56.01 56.06 1ibm n LEU 78 Cb 0.00 0.18 -0.14 0.00 -2.33 0.00 0.00 43.42 41.13 1ibm n LEU 78 CO 0.00 0.40 -0.56 -0.76 -1.33 0.00 0.00 177.39 175.14 1ibm s LEU 79 N -6.05 2.25 1.17 2.23 1.43 -1.11 -4.98 118.68 113.61 1ibm s LEU 79 Ca -0.05 -0.57 -0.18 0.00 -1.03 0.00 0.00 54.13 52.30 1ibm s LEU 79 Cb 0.08 -1.32 0.27 0.00 0.03 0.00 0.00 46.19 45.25 1ibm s LEU 79 CO 0.82 0.26 1.10 -2.16 0.23 0.00 0.00 176.35 176.60 1ibm s PRO 80 N -1.31 -0.95 -0.03 1.29 0.04 -1.26 -3.72 135.00 129.06 1ibm s PRO 80 Ca 0.12 0.05 0.04 0.00 0.04 0.00 0.00 61.00 61.25 1ibm s PRO 80 Cb -0.10 -1.62 -0.06 0.00 0.04 0.00 0.00 34.50 32.76 1ibm s PRO 80 CO 0.03 -3.55 0.04 1.19 0.04 0.00 0.00 177.00 174.75 1ibm n PHE 81 N -4.67 0.00 -3.53 0.56 3.01 -1.26 -4.76 117.46 106.81 1ibm n PHE 81 Ca 0.11 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.59 1ibm n PHE 81 Cb 0.59 -0.19 -0.06 0.00 -0.01 0.00 0.00 39.48 39.81 1ibm n PHE 81 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1ibm s THR 82 N -2.18 -0.06 0.30 4.37 -1.32 -1.26 -3.99 115.64 111.49 1ibm s THR 82 Ca -0.02 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.52 1ibm s THR 82 Cb 0.02 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.99 1ibm s THR 82 CO 0.19 0.00 0.38 -1.61 -2.21 0.00 0.00 174.62 171.38 1ibm s GLU 83 N 1.45 3.16 0.14 7.08 2.02 -1.26 -4.47 118.70 126.82 1ibm s GLU 83 Ca -0.06 -0.97 -0.30 0.00 0.02 0.00 0.00 54.97 53.66 1ibm s GLU 83 Cb -0.03 -2.77 -0.07 0.00 0.10 0.00 0.00 34.13 31.36 1ibm s GLU 83 CO -0.13 0.22 1.02 0.15 0.02 0.00 0.00 175.26 176.55 1ibm s LYS 84 N -4.05 4.65 -0.36 1.61 1.02 -1.26 -4.68 119.74 116.68 1ibm s LYS 84 Ca 0.40 1.57 -0.26 0.00 0.02 0.00 0.00 55.97 57.69 1ibm s LYS 84 Cb -0.09 -3.33 0.01 0.00 -0.52 0.00 0.00 37.83 33.90 1ibm s LYS 84 CO 0.29 0.15 0.94 -1.17 -0.92 0.00 0.00 175.35 174.64 1ibm s LEU 85 N -0.13 3.99 0.51 3.17 2.96 -1.26 -4.92 118.68 123.00 1ibm s LEU 85 Ca 0.48 0.66 -0.09 0.00 -0.22 0.00 0.00 54.13 54.96 1ibm s LEU 85 Cb -0.26 -3.29 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 1ibm s LEU 85 CO 0.32 -0.84 0.87 -0.69 -1.32 0.00 0.00 176.35 174.69 1ibm s VAL 86 N 3.47 4.78 0.00 1.68 1.01 -1.26 -4.78 120.40 125.30 1ibm s VAL 86 Ca 0.39 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1ibm s VAL 86 Cb -0.12 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1ibm s VAL 86 CO 0.18 -0.84 0.00 0.54 0.00 0.00 0.00 175.10 174.97 1ibm n ARG 87 N -2.11 0.00 -0.24 2.72 5.12 -1.26 -5.23 116.66 115.67 1ibm n ARG 87 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1ibm n ARG 87 Cb 0.54 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.84 1ibm n ARG 87 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87