#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdm n ALA 20 N 0.00 0.00 -1.96 3.14 0.00 -1.26 -5.11 120.51 115.32 2wdm n ALA 20 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2wdm n ALA 20 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2wdm n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wdm s LYS 21 N 0.00 3.91 0.25 0.00 -0.14 -1.26 -4.82 119.74 117.69 2wdm s LYS 21 Ca 0.00 2.03 0.17 0.00 -1.36 0.00 0.00 55.97 56.81 2wdm s LYS 21 Cb 0.00 -4.07 0.92 0.00 -1.68 0.00 0.00 37.83 33.00 2wdm s LYS 21 CO 0.00 -1.17 1.52 0.28 -0.76 0.00 0.00 175.35 175.22 2wdm n VAL 22 N 6.09 1.23 -0.22 3.17 0.31 -0.65 -0.81 118.33 127.44 2wdm n VAL 22 Ca 0.20 0.69 -0.08 0.00 -0.01 0.00 0.00 64.34 65.13 2wdm n VAL 22 Cb 0.44 -1.69 0.03 0.00 -0.91 0.00 0.00 33.84 31.70 2wdm n VAL 22 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2wdm h LYS 23 N 0.00 0.99 0.03 5.55 1.63 -1.77 -2.98 116.57 120.02 2wdm h LYS 23 Ca 0.00 -0.25 -0.22 0.00 -0.85 0.00 0.00 60.65 59.33 2wdm h LYS 23 Cb 0.01 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 2wdm h LYS 23 CO 0.00 0.92 -0.97 0.00 -3.45 0.00 0.00 179.45 175.95 2wdm h ALA 24 N 1.04 0.39 0.00 5.00 0.00 -1.33 -3.29 119.26 121.06 2wdm h ALA 24 Ca 0.19 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2wdm h ALA 24 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2wdm h ALA 24 CO 0.01 0.91 0.00 2.41 0.00 0.00 0.00 179.25 182.58 2wdm n THR 25 N -3.65 0.13 -3.84 0.00 -1.04 -1.12 -4.63 114.28 100.13 2wdm n THR 25 Ca -0.05 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.88 2wdm n THR 25 Cb 0.86 -0.39 -0.02 0.00 -1.82 0.00 0.00 70.33 68.96 2wdm n THR 25 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wdm s LEU 26 N 0.00 -0.25 0.00 -4.42 1.43 -1.24 -5.06 118.68 109.14 2wdm s LEU 26 Ca 0.00 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 2wdm s LEU 26 Cb 0.00 2.68 0.00 0.00 0.03 0.00 0.00 46.19 48.90 2wdm s LEU 26 CO 0.00 -1.32 0.00 0.61 0.23 0.00 0.00 176.35 175.87 2wdm n GLY 27 N -0.45 5.15 3.56 -3.19 0.00 -1.26 -4.99 105.19 104.00 2wdm n GLY 27 Ca -0.05 -1.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.07 2wdm n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdm s GLU 28 N 3.85 1.84 -0.03 1.61 2.02 -1.26 -4.89 118.70 121.83 2wdm s GLU 28 Ca 0.00 0.89 0.04 0.00 0.02 0.00 0.00 54.97 55.91 2wdm s GLU 28 Cb 0.00 -4.70 -0.00 0.00 0.10 0.00 0.00 34.13 29.53 2wdm s GLU 28 CO 0.00 -3.91 -0.14 -0.59 0.02 0.00 0.00 175.26 170.64 2wdm s PHE 29 N 13.56 1.39 -0.85 1.61 -0.12 -1.26 -5.09 117.98 127.21 2wdm s PHE 29 Ca 0.94 -0.37 -0.24 0.00 -0.05 0.00 0.00 56.93 57.22 2wdm s PHE 29 Cb -0.15 -0.95 0.06 0.00 -0.63 0.00 0.00 43.02 41.36 2wdm s PHE 29 CO 0.16 -0.12 1.27 0.34 -0.05 0.00 0.00 175.22 176.81 2wdm s ASP 30 N 0.05 6.35 0.00 1.98 2.15 -1.26 -4.88 116.67 121.06 2wdm s ASP 30 Ca -0.02 -1.13 0.00 0.00 0.43 0.00 0.00 52.55 51.82 2wdm s ASP 30 Cb -0.10 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 2wdm s ASP 30 CO 0.01 -1.54 0.62 0.00 -0.17 0.00 0.00 175.17 174.09 2wdm n LEU 31 N 8.51 1.79 -0.00 -1.34 -0.00 -1.26 -1.28 117.00 123.42 2wdm n LEU 31 Ca 0.16 -0.90 0.04 0.00 -0.00 0.00 0.00 56.01 55.31 2wdm n LEU 31 Cb 0.49 -0.34 -0.06 0.00 -0.00 0.00 0.00 43.42 43.52 2wdm n LEU 31 CO 0.65 0.31 -0.45 -1.14 -0.00 0.00 0.00 177.39 176.76 2wdm n ARG 32 N 0.57 1.31 -2.68 1.47 3.00 -1.26 -4.16 116.66 114.91 2wdm n ARG 32 Ca 0.00 -0.05 -0.43 0.00 -0.00 0.00 0.00 57.85 57.37 2wdm n ARG 32 Cb 0.31 -1.10 -0.02 0.00 0.00 0.00 0.00 32.46 31.64 2wdm n ARG 32 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2wdm s ASP 33 N -2.61 7.15 -0.57 6.15 3.68 -0.41 -4.91 116.67 125.16 2wdm s ASP 33 Ca -0.01 1.43 0.00 0.00 2.13 0.00 0.00 52.55 56.10 2wdm s ASP 33 Cb 0.05 -2.54 0.53 0.00 -1.45 0.00 0.00 42.92 39.51 2wdm s ASP 33 CO 0.32 -0.56 1.98 0.00 0.13 0.00 0.00 175.17 177.05 2wdm n TYR 34 N 5.70 3.12 0.00 -5.34 0.18 -1.26 -4.55 117.16 115.01 2wdm n TYR 34 Ca 0.10 -2.52 0.00 0.00 1.88 0.00 0.00 57.90 57.36 2wdm n TYR 34 Cb 0.47 -1.23 0.00 0.00 -0.38 0.00 0.00 39.34 38.20 2wdm n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2wdm n ARG 35 N -0.98 0.00 -0.64 -3.48 1.74 -1.26 -4.42 116.66 107.63 2wdm n ARG 35 Ca 0.61 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 57.39 2wdm n ARG 35 Cb 1.07 -0.58 -0.05 0.00 -1.02 0.00 0.00 32.46 31.88 2wdm n ARG 35 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2wdm n ASN 36 N -1.96 2.12 0.00 0.55 6.94 -1.26 -4.77 115.26 116.88 2wdm n ASN 36 Ca 0.00 -2.41 0.00 0.00 -0.02 0.00 0.00 54.58 52.15 2wdm n ASN 36 Cb 0.16 -0.82 0.00 0.00 -2.36 0.00 0.00 39.78 36.76 2wdm n ASN 36 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 2wdm n VAL 37 N 5.65 0.00 -0.12 3.53 0.24 -1.26 0.37 118.33 126.74 2wdm n VAL 37 Ca 0.37 0.28 0.22 0.00 -2.04 0.00 0.00 64.34 63.17 2wdm n VAL 37 Cb 0.26 -0.42 0.33 0.00 -1.47 0.00 0.00 33.84 32.55 2wdm n VAL 37 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wdm n GLU 38 N -0.85 0.02 0.02 7.34 1.02 -1.26 0.21 120.64 127.14 2wdm n GLU 38 Ca 0.00 0.94 -0.01 0.00 -0.02 0.00 0.00 57.16 58.07 2wdm n GLU 38 Cb 0.00 -2.37 -0.00 0.00 -0.02 0.00 0.00 31.44 29.04 2wdm n GLU 38 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wdm h VAL 39 N 0.00 0.00 -0.30 2.62 2.07 -0.48 -3.30 116.25 116.87 2wdm h VAL 39 Ca 0.38 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.80 2wdm h VAL 39 Cb 2.60 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 2wdm h VAL 39 CO -0.00 0.00 0.15 -0.07 0.02 0.00 0.00 177.57 177.66 2wdm h LEU 40 N -0.19 0.22 -1.31 2.57 4.07 -0.30 -2.62 115.31 117.75 2wdm h LEU 40 Ca -0.01 0.01 0.40 0.00 0.08 0.00 0.00 57.88 58.37 2wdm h LEU 40 Cb 0.05 -0.03 -0.08 0.00 1.08 0.00 0.00 40.66 41.69 2wdm h LEU 40 CO 0.01 0.16 0.92 1.17 -1.08 0.00 0.00 178.44 179.62 2wdm n LYS 41 N -4.96 -0.01 -0.03 1.13 3.00 0.57 0.15 118.16 118.01 2wdm n LYS 41 Ca -0.01 0.86 0.00 0.00 -0.00 0.00 0.00 58.31 59.17 2wdm n LYS 41 Cb 0.07 -1.87 0.02 0.00 0.00 0.00 0.00 35.03 33.25 2wdm n LYS 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2wdm n ARG 42 N -3.73 1.12 -0.01 1.64 0.63 -0.99 -2.62 116.66 112.70 2wdm n ARG 42 Ca 0.32 -0.13 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 2wdm n ARG 42 Cb 1.39 -1.20 0.01 0.00 0.45 0.00 0.00 32.46 33.10 2wdm n ARG 42 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2wdm n PHE 43 N -0.25 0.02 -2.77 -0.14 3.01 0.38 -4.85 117.46 112.86 2wdm n PHE 43 Ca 0.01 -0.50 -0.34 0.00 1.01 0.00 0.00 57.45 57.63 2wdm n PHE 43 Cb 0.12 -0.05 -0.01 0.00 -0.01 0.00 0.00 39.48 39.53 2wdm n PHE 43 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2wdm n LEU 44 N -0.47 5.87 0.00 4.37 4.77 -1.08 -2.79 117.00 127.67 2wdm n LEU 44 Ca 0.01 -5.53 0.00 0.00 -0.03 0.00 0.00 56.01 50.46 2wdm n LEU 44 Cb 0.26 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 2wdm n LEU 44 CO 0.00 2.21 0.00 -1.54 -1.33 0.00 0.00 177.39 176.73 2wdm n SER 45 N -0.17 0.00 -0.52 -1.43 3.41 -1.14 -3.74 113.62 110.02 2wdm n SER 45 Ca 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 2wdm n SER 45 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 2wdm n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wdm n GLU 46 N 3.27 0.00 0.00 4.33 -0.58 -1.26 -4.75 120.64 121.65 2wdm n GLU 46 Ca 0.00 -0.97 0.00 0.00 -0.42 0.00 0.00 57.16 55.77 2wdm n GLU 46 Cb 0.00 -0.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.41 2wdm n GLU 46 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2wdm n THR 47 N 0.01 0.00 0.00 2.62 -2.24 -1.26 -4.49 114.28 108.92 2wdm n THR 47 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wdm n THR 47 Cb 0.70 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 70.05 2wdm n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdm n GLY 48 N 0.00 2.84 2.93 3.38 0.00 -1.25 -2.62 105.19 110.47 2wdm n GLY 48 Ca 0.00 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 2wdm n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdm n LYS 49 N 0.00 0.00 -2.59 1.61 4.76 -1.26 -4.70 118.16 115.98 2wdm n LYS 49 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 2wdm n LYS 49 Cb 0.00 -0.93 0.01 0.00 -1.84 0.00 0.00 35.03 32.28 2wdm n LYS 49 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2wdm n ILE 50 N -1.71 5.64 0.00 -0.18 2.08 -1.26 -2.88 119.36 121.04 2wdm n ILE 50 Ca 0.04 -5.56 0.00 0.00 0.56 0.00 0.00 62.75 57.79 2wdm n ILE 50 Cb 0.46 -1.84 0.00 0.00 -0.75 0.00 0.00 39.64 37.52 2wdm n ILE 50 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2wdm n LEU 51 N 0.90 0.00 -4.04 1.39 4.77 -1.12 -4.82 117.00 114.08 2wdm n LEU 51 Ca 0.44 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 56.22 2wdm n LEU 51 Cb 0.28 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.51 2wdm n LEU 51 CO 0.63 0.00 -0.21 -0.81 -1.33 0.00 0.00 177.39 175.66 2wdm n PRO 52 N 0.00 -1.91 0.24 3.23 -0.04 -1.26 -4.58 135.00 130.68 2wdm n PRO 52 Ca 0.00 -0.56 0.15 0.00 -0.04 0.00 0.00 63.50 63.05 2wdm n PRO 52 Cb 0.00 -1.45 0.44 0.00 -0.04 0.00 0.00 33.50 32.45 2wdm n PRO 52 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2wdm h ARG 53 N -2.45 0.00 0.00 0.54 2.43 -1.95 -2.72 114.38 110.23 2wdm h ARG 53 Ca -0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2wdm h ARG 53 Cb 0.86 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2wdm h ARG 53 CO 0.18 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 179.18 2wdm n ARG 54 N -3.05 0.10 0.00 0.20 1.74 -1.26 -0.43 116.66 113.96 2wdm n ARG 54 Ca 0.02 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 2wdm n ARG 54 Cb 0.41 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 2wdm n ARG 54 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wdm n ARG 55 N -1.20 0.38 -0.04 5.56 5.12 -1.09 -4.72 116.66 120.68 2wdm n ARG 55 Ca 0.03 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.06 2wdm n ARG 55 Cb 0.03 -0.82 0.48 0.00 -1.16 0.00 0.00 32.46 30.99 2wdm n ARG 55 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2wdm n THR 56 N -2.05 0.11 -2.19 0.55 -2.24 -1.05 -1.63 114.28 105.79 2wdm n THR 56 Ca 0.00 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.47 2wdm n THR 56 Cb 0.32 0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 2wdm n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdm n GLY 57 N 1.04 -0.27 1.37 3.38 0.00 0.43 -3.86 105.19 107.28 2wdm n GLY 57 Ca 0.16 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 2wdm n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdm n LEU 58 N -1.81 0.00 -4.96 0.99 4.32 -1.26 -4.86 117.00 109.41 2wdm n LEU 58 Ca 0.02 -0.66 -0.20 0.00 -0.02 0.00 0.00 56.01 55.16 2wdm n LEU 58 Cb 0.28 -0.28 0.01 0.00 -1.62 0.00 0.00 43.42 41.80 2wdm n LEU 58 CO 0.19 -0.74 0.13 -0.55 -1.22 0.00 0.00 177.39 175.20 2wdm s SER 59 N -2.55 5.26 0.13 -1.43 0.15 -1.26 -4.84 113.70 109.16 2wdm s SER 59 Ca 0.25 -0.69 -0.20 0.00 0.70 0.00 0.00 55.95 56.01 2wdm s SER 59 Cb -0.01 -0.34 -0.02 0.00 -1.71 0.00 0.00 66.02 63.93 2wdm s SER 59 CO 0.17 -0.88 1.71 0.00 1.20 0.00 0.00 173.24 175.44 2wdm h ALA 60 N 0.68 0.15 -0.69 5.45 0.00 -1.99 0.73 119.26 123.58 2wdm h ALA 60 Ca -0.38 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2wdm h ALA 60 Cb 1.28 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 2wdm h ALA 60 CO 0.49 -0.47 0.15 -0.22 0.00 0.00 0.00 179.25 179.21 2wdm h LYS 61 N 0.02 1.12 0.04 0.00 3.64 -2.01 -2.89 116.57 116.48 2wdm h LYS 61 Ca 0.10 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2wdm h LYS 61 Cb 0.14 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2wdm h LYS 61 CO -0.20 1.00 -0.02 0.93 -2.27 0.00 0.00 179.45 178.89 2wdm h GLU 62 N 1.05 -0.05 -0.89 1.90 5.08 -1.80 -3.10 114.58 116.78 2wdm h GLU 62 Ca 0.22 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.81 2wdm h GLU 62 Cb 0.39 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 2wdm h GLU 62 CO 0.01 0.42 0.61 0.37 -1.00 0.00 0.00 179.01 179.41 2wdm h GLN 63 N -0.53 0.19 0.02 2.33 5.75 0.46 -2.15 115.11 121.19 2wdm h GLN 63 Ca -0.01 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2wdm h GLN 63 Cb 0.49 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.00 2wdm h GLN 63 CO 0.01 0.13 -0.01 0.00 -2.65 0.00 0.00 178.83 176.30 2wdm h ARG 64 N 0.20 -0.03 -0.49 1.69 3.08 -1.49 -2.74 114.38 114.59 2wdm h ARG 64 Ca 0.44 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.64 2wdm h ARG 64 Cb 1.43 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.47 2wdm h ARG 64 CO -0.10 -0.02 0.82 -0.84 -1.07 0.00 0.00 179.97 178.77 2wdm h ILE 65 N -0.07 0.10 0.00 2.04 3.07 -1.45 -1.50 117.51 119.69 2wdm h ILE 65 Ca -0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2wdm h ILE 65 Cb 0.03 0.29 0.00 0.00 -0.27 0.00 0.00 36.82 36.86 2wdm h ILE 65 CO 0.01 0.00 0.00 -0.11 -1.05 0.00 0.00 178.15 177.00 2wdm n LEU 66 N -3.16 0.16 -0.50 0.16 7.94 -0.82 -3.02 117.00 117.75 2wdm n LEU 66 Ca 0.10 0.59 0.41 0.00 -1.11 0.00 0.00 56.01 56.01 2wdm n LEU 66 Cb 0.99 -0.46 0.67 0.00 0.53 0.00 0.00 43.42 45.15 2wdm n LEU 66 CO 0.18 -0.46 1.21 0.00 -1.11 0.00 0.00 177.39 177.21 2wdm n ALA 67 N -1.89 1.41 -0.02 1.96 0.00 -0.61 0.13 120.51 121.49 2wdm n ALA 67 Ca 0.00 0.78 -0.12 0.00 0.00 0.00 0.00 53.44 54.09 2wdm n ALA 67 Cb 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.35 2wdm n ALA 67 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wdm h LYS 68 N 0.00 0.11 -0.63 0.00 6.56 -1.53 -0.42 116.57 120.65 2wdm h LYS 68 Ca 0.85 -0.04 -0.09 0.00 -1.06 0.00 0.00 60.65 60.31 2wdm h LYS 68 Cb 2.90 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 34.52 2wdm h LYS 68 CO -0.34 0.42 0.06 1.79 -2.06 0.00 0.00 179.45 179.32 2wdm h THR 69 N -0.22 1.26 -0.62 -0.16 1.35 0.11 -0.63 112.91 114.00 2wdm h THR 69 Ca 0.01 -1.08 0.09 0.00 -0.55 0.00 0.00 66.41 64.89 2wdm h THR 69 Cb 0.38 0.71 -0.07 0.00 -1.73 0.00 0.00 68.15 67.44 2wdm h THR 69 CO 0.00 0.40 0.25 0.40 -0.25 0.00 0.00 175.52 176.32 2wdm h ILE 70 N 0.99 0.78 0.27 6.82 1.08 -0.59 -0.27 117.51 126.60 2wdm h ILE 70 Ca 0.19 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.49 2wdm h ILE 70 Cb 0.49 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 2wdm h ILE 70 CO 0.02 0.08 -0.13 0.11 -0.69 0.00 0.00 178.15 177.54 2wdm h LYS 71 N 0.44 -0.35 -0.68 2.37 1.57 -0.49 -2.06 116.57 117.36 2wdm h LYS 71 Ca 0.31 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.26 2wdm h LYS 71 Cb 0.37 0.08 -0.12 0.00 0.08 0.00 0.00 32.23 32.65 2wdm h LYS 71 CO -0.30 -0.12 -0.02 0.00 -0.57 0.00 0.00 179.45 178.43 2wdm h ARG 72 N -0.53 0.09 -0.86 3.15 3.08 -0.41 0.20 114.38 119.11 2wdm h ARG 72 Ca -0.04 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2wdm h ARG 72 Cb 0.39 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.38 2wdm h ARG 72 CO 0.06 0.06 0.47 0.00 -1.07 0.00 0.00 179.97 179.50 2wdm h ALA 73 N 1.63 1.11 -0.86 0.04 0.00 -0.99 -1.79 119.26 118.40 2wdm h ALA 73 Ca 0.36 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.22 2wdm h ALA 73 Cb 0.60 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 2wdm h ALA 73 CO -0.61 0.61 0.52 0.00 0.00 0.00 0.00 179.25 179.78 2wdm h ARG 74 N 1.21 0.87 -0.12 0.00 3.08 -0.25 0.21 114.38 119.38 2wdm h ARG 74 Ca 0.30 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 2wdm h ARG 74 Cb 0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2wdm h ARG 74 CO -0.05 0.58 0.01 0.82 -1.07 0.00 0.00 179.97 180.25 2wdm h ILE 75 N 0.90 1.08 -0.27 2.04 2.04 -0.47 0.23 117.51 123.06 2wdm h ILE 75 Ca 0.40 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.96 2wdm h ILE 75 Cb 0.29 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2wdm h ILE 75 CO -0.21 0.10 0.00 0.18 0.00 0.00 0.00 178.15 178.21 2wdm n LEU 76 N -4.44 3.08 -2.28 1.44 7.99 0.67 -4.88 117.00 118.58 2wdm n LEU 76 Ca -0.01 -1.56 -0.13 0.00 -0.01 0.00 0.00 56.01 54.30 2wdm n LEU 76 Cb 0.14 -0.56 -0.01 0.00 -0.11 0.00 0.00 43.42 42.88 2wdm n LEU 76 CO 0.35 0.42 -0.16 0.61 -1.51 0.00 0.00 177.39 177.11 2wdm n GLY 77 N 0.33 -0.24 0.13 -0.72 0.00 0.07 -4.82 105.19 99.94 2wdm n GLY 77 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 2wdm n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdm n LEU 78 N -2.67 2.34 -4.62 0.99 4.77 -0.75 -4.89 117.00 112.17 2wdm n LEU 78 Ca -0.15 0.20 -0.34 0.00 -0.03 0.00 0.00 56.01 55.68 2wdm n LEU 78 Cb 0.59 -0.92 -0.10 0.00 -2.33 0.00 0.00 43.42 40.66 2wdm n LEU 78 CO 0.18 0.67 -0.27 -0.76 -1.33 0.00 0.00 177.39 175.88 2wdm s LEU 79 N -7.22 3.71 0.46 2.23 1.43 -1.23 -4.96 118.68 113.09 2wdm s LEU 79 Ca -0.34 0.05 -0.25 0.00 -1.03 0.00 0.00 54.13 52.57 2wdm s LEU 79 Cb 0.10 -1.92 -0.08 0.00 0.03 0.00 0.00 46.19 44.32 2wdm s LEU 79 CO 0.58 0.19 1.35 -2.65 0.23 0.00 0.00 176.35 176.05 2wdm n PRO 80 N 3.43 2.03 0.15 1.29 -0.02 -1.26 -4.13 135.00 136.49 2wdm n PRO 80 Ca -0.17 0.73 0.12 0.00 -2.02 0.00 0.00 63.50 62.16 2wdm n PRO 80 Cb 0.52 -2.52 0.26 0.00 -0.02 0.00 0.00 33.50 31.74 2wdm n PRO 80 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2wdm h PHE 81 N 2.06 0.00 -0.59 6.00 -1.00 -1.91 -3.46 116.94 118.04 2wdm h PHE 81 Ca -0.50 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.28 2wdm h PHE 81 Cb 1.29 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.85 2wdm h PHE 81 CO 0.48 0.00 0.00 -2.37 -1.61 0.00 0.00 178.31 174.81 2wdm n THR 82 N -2.63 0.00 0.00 -1.55 5.66 -1.26 -4.79 114.28 109.71 2wdm n THR 82 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 2wdm n THR 82 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 2wdm n THR 82 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2wdm n GLU 83 N 0.00 0.00 -2.26 1.09 0.28 -1.08 -4.54 120.64 114.13 2wdm n GLU 83 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.67 2wdm n GLU 83 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 2wdm n GLU 83 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2wdm s LYS 84 N -0.99 3.54 0.97 3.44 -0.14 -1.26 -4.14 119.74 121.16 2wdm s LYS 84 Ca 0.00 1.24 -0.15 0.00 -1.36 0.00 0.00 55.97 55.70 2wdm s LYS 84 Cb 0.00 -2.06 0.18 0.00 -1.68 0.00 0.00 37.83 34.27 2wdm s LYS 84 CO 0.00 -0.63 1.24 -1.17 -0.76 0.00 0.00 175.35 174.03 2wdm s LEU 85 N -4.09 2.24 0.07 3.17 2.96 -1.26 -4.89 118.68 116.88 2wdm s LEU 85 Ca 0.65 0.52 0.09 0.00 -0.22 0.00 0.00 54.13 55.17 2wdm s LEU 85 Cb -0.16 -2.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 2wdm s LEU 85 CO 0.30 -2.79 -0.25 -0.69 -1.32 0.00 0.00 176.35 171.60 2wdm s VAL 86 N -3.60 2.27 0.00 1.68 1.01 -1.26 -4.96 120.40 115.54 2wdm s VAL 86 Ca 0.70 -1.45 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2wdm s VAL 86 Cb -0.08 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.38 2wdm s VAL 86 CO 0.53 0.29 0.00 -2.11 0.00 0.00 0.00 175.10 173.81 2wdm n ARG 87 N 1.53 -1.07 0.00 2.72 0.00 -1.26 -5.27 116.66 113.30 2wdm n ARG 87 Ca -0.17 1.04 0.00 0.00 -0.00 0.00 0.00 57.85 58.72 2wdm n ARG 87 Cb 0.52 -0.71 0.00 0.00 -0.00 0.00 0.00 32.46 32.27 2wdm n ARG 87 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26