#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k78 n ALA 26 N 0.00 -1.72 -1.87 -1.46 0.00 -1.26 -4.91 120.51 109.29 2k78 n ALA 26 Ca 0.00 -1.12 -0.19 0.00 0.00 0.00 0.00 53.44 52.14 2k78 n ALA 26 Cb 0.00 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 17.93 2k78 n ALA 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k78 n ASN 27 N 2.80 -5.33 -4.35 0.00 5.15 -1.26 -4.92 115.26 107.36 2k78 n ASN 27 Ca 0.17 0.27 -0.47 0.00 -0.60 0.00 0.00 54.58 53.96 2k78 n ASN 27 Cb 0.57 -4.44 -0.02 0.00 -0.53 0.00 0.00 39.78 35.35 2k78 n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k78 s ALA 28 N -2.79 3.98 0.00 5.20 0.00 -1.26 -4.92 121.76 121.97 2k78 s ALA 28 Ca 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 51.96 48.71 2k78 s ALA 28 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2k78 s ALA 28 CO 0.00 -2.38 0.25 0.00 0.00 0.00 0.00 175.76 173.63 2k78 n ALA 29 N 4.34 -0.10 -2.25 0.00 0.00 -1.26 -4.73 120.51 116.51 2k78 n ALA 29 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.46 2k78 n ALA 29 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 2k78 n ALA 29 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k78 n ASP 30 N -1.48 -4.05 -3.53 0.00 8.00 -1.26 -4.89 116.55 109.35 2k78 n ASP 30 Ca 0.00 0.20 -0.17 0.00 0.71 0.00 0.00 54.79 55.52 2k78 n ASP 30 Cb 0.00 -3.48 -0.06 0.00 -0.02 0.00 0.00 41.12 37.56 2k78 n ASP 30 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2k78 s SER 31 N -2.05 -0.63 0.00 -2.24 1.04 -1.26 -0.43 113.70 108.13 2k78 s SER 31 Ca 0.00 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2k78 s SER 31 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2k78 s SER 31 CO 0.00 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.21 2k78 n GLY 32 N 0.87 -0.85 2.87 7.32 0.00 -0.15 -4.97 105.19 110.29 2k78 n GLY 32 Ca -0.19 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 2k78 n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k78 s THR 33 N -2.75 -0.51 0.26 2.61 2.01 -1.26 -2.25 115.64 113.75 2k78 s THR 33 Ca 0.00 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.92 2k78 s THR 33 Cb 0.00 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 2k78 s THR 33 CO 0.00 -0.14 0.47 -1.48 -0.69 0.00 0.00 174.62 172.78 2k78 s LEU 34 N 2.47 4.13 0.28 4.42 0.05 -0.77 -4.88 118.68 124.39 2k78 s LEU 34 Ca 0.10 0.49 -0.28 0.00 0.05 0.00 0.00 54.13 54.49 2k78 s LEU 34 Cb -0.15 -3.29 -0.09 0.00 -2.05 0.00 0.00 46.19 40.60 2k78 s LEU 34 CO -0.14 -0.15 0.96 0.21 -0.55 0.00 0.00 176.35 176.68 2k78 s ASN 35 N -3.40 7.48 0.11 1.48 2.47 -1.01 -3.04 114.94 119.02 2k78 s ASN 35 Ca 0.40 1.94 -0.25 0.00 0.42 0.00 0.00 52.86 55.37 2k78 s ASN 35 Cb -0.10 -2.60 0.08 0.00 -1.45 0.00 0.00 41.25 37.17 2k78 s ASN 35 CO 0.31 0.03 0.79 -0.72 -3.72 0.00 0.00 177.10 173.79 2k78 s TYR 36 N -1.34 -0.35 0.00 0.43 1.13 -1.26 0.15 117.35 116.11 2k78 s TYR 36 Ca 0.45 0.13 0.00 0.00 -1.41 0.00 0.00 57.07 56.24 2k78 s TYR 36 Cb -0.24 0.58 0.00 0.00 -1.10 0.00 0.00 41.96 41.20 2k78 s TYR 36 CO 0.30 -0.77 0.00 -1.91 -2.51 0.00 0.00 175.55 170.66 2k78 n GLU 37 N -0.35 0.00 -4.24 -3.49 4.07 0.22 -4.90 120.64 111.95 2k78 n GLU 37 Ca -0.10 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.84 2k78 n GLU 37 Cb 0.62 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.91 2k78 n GLU 37 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2k78 s VAL 38 N -2.67 0.01 -0.03 6.31 -7.23 -1.26 0.82 120.40 116.34 2k78 s VAL 38 Ca 0.00 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.06 2k78 s VAL 38 Cb 0.00 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.46 2k78 s VAL 38 CO 0.00 0.00 0.25 -0.31 -0.31 0.00 0.00 175.10 174.73 2k78 s TYR 39 N -3.80 -0.15 0.14 2.82 2.02 0.33 -3.61 117.35 115.10 2k78 s TYR 39 Ca 0.40 0.27 -0.31 0.00 -0.37 0.00 0.00 57.07 57.06 2k78 s TYR 39 Cb 0.05 0.06 -0.09 0.00 -0.40 0.00 0.00 41.96 41.58 2k78 s TYR 39 CO 0.20 -0.29 1.44 0.21 -1.57 0.00 0.00 175.55 175.53 2k78 s LYS 40 N -0.95 4.29 0.47 -0.62 2.47 -0.97 -1.67 119.74 122.76 2k78 s LYS 40 Ca -0.10 2.17 -0.22 0.00 -1.56 0.00 0.00 55.97 56.25 2k78 s LYS 40 Cb -0.05 -3.21 -0.09 0.00 -1.46 0.00 0.00 37.83 33.01 2k78 s LYS 40 CO 0.02 -0.48 0.92 0.98 0.16 0.00 0.00 175.35 176.95 2k78 n TYR 41 N 3.84 0.80 -0.82 4.03 9.36 -1.26 -1.01 117.16 132.10 2k78 n TYR 41 Ca 0.12 0.52 0.00 0.00 3.32 0.00 0.00 57.90 61.86 2k78 n TYR 41 Cb 0.41 -2.17 0.00 0.00 -0.63 0.00 0.00 39.34 36.96 2k78 n TYR 41 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2k78 n ASN 42 N 0.29 -0.11 -0.24 2.98 5.15 -1.26 -4.93 115.26 117.15 2k78 n ASN 42 Ca 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 2k78 n ASN 42 Cb 0.42 -0.92 0.00 0.00 -0.53 0.00 0.00 39.78 38.75 2k78 n ASN 42 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2k78 n THR 43 N -2.02 0.00 -1.34 -0.44 -2.24 -0.18 -5.07 114.28 103.00 2k78 n THR 43 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 2k78 n THR 43 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 2k78 n THR 43 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2k78 n ASN 44 N -0.53 0.48 -3.86 3.42 6.94 -1.26 -4.70 115.26 115.75 2k78 n ASN 44 Ca 0.00 -1.78 -0.20 0.00 -0.02 0.00 0.00 54.58 52.58 2k78 n ASN 44 Cb 0.00 -0.14 -0.16 0.00 -2.36 0.00 0.00 39.78 37.12 2k78 n ASN 44 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2k78 s ASP 45 N -0.87 0.96 0.29 0.53 2.15 -1.26 -4.86 116.67 113.60 2k78 s ASP 45 Ca 0.04 -0.10 -0.30 0.00 0.43 0.00 0.00 52.55 52.62 2k78 s ASP 45 Cb 0.03 -0.41 -0.12 0.00 -0.30 0.00 0.00 42.92 42.12 2k78 s ASP 45 CO 0.00 -0.08 1.48 0.41 -0.17 0.00 0.00 175.17 176.81 2k78 n THR 46 N 4.23 1.27 0.00 1.71 -1.04 -1.24 -2.29 114.28 116.92 2k78 n THR 46 Ca -0.22 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 2k78 n THR 46 Cb 0.51 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 2k78 n THR 46 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2k78 n SER 47 N 1.74 2.29 0.00 8.00 2.88 -1.26 -4.79 113.62 122.48 2k78 n SER 47 Ca 0.08 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2k78 n SER 47 Cb 0.35 0.58 0.00 0.00 -0.75 0.00 0.00 64.21 64.40 2k78 n SER 47 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2k78 n ILE 48 N -0.81 0.00 -0.15 2.46 -0.00 -1.26 -4.85 119.36 114.75 2k78 n ILE 48 Ca 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 62.75 63.03 2k78 n ILE 48 Cb 0.00 -0.10 0.61 0.00 -0.00 0.00 0.00 39.64 40.14 2k78 n ILE 48 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k78 h ALA 49 N 0.00 2.75 0.00 -1.39 0.00 -1.97 0.45 119.26 119.09 2k78 h ALA 49 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k78 h ALA 49 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k78 h ALA 49 CO 0.00 -1.39 0.00 -1.71 0.00 0.00 0.00 179.25 176.15 2k78 n ASN 50 N -3.54 0.37 -1.51 0.00 5.15 -1.26 -1.45 115.26 113.02 2k78 n ASN 50 Ca 0.19 0.65 0.09 0.00 -0.60 0.00 0.00 54.58 54.92 2k78 n ASN 50 Cb 1.22 -0.71 0.34 0.00 -0.53 0.00 0.00 39.78 40.10 2k78 n ASN 50 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2k78 n ASP 51 N -1.98 4.47 0.00 1.20 8.00 0.16 -4.27 116.55 124.12 2k78 n ASP 51 Ca -0.00 -2.35 0.00 0.00 0.71 0.00 0.00 54.79 53.15 2k78 n ASP 51 Cb 0.07 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 2k78 n ASP 51 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2k78 n TYR 52 N 1.18 0.00 -3.74 1.24 4.01 -0.53 -5.00 117.16 114.33 2k78 n TYR 52 Ca 0.25 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.62 2k78 n TYR 52 Cb 0.82 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.74 2k78 n TYR 52 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2k78 s PHE 53 N -0.04 3.53 -0.30 -0.72 0.08 -1.20 -2.77 117.98 116.56 2k78 s PHE 53 Ca 0.00 -2.24 -0.29 0.00 0.12 0.00 0.00 56.93 54.52 2k78 s PHE 53 Cb 0.00 -3.16 -0.01 0.00 -0.57 0.00 0.00 43.02 39.28 2k78 s PHE 53 CO 0.00 -0.95 1.46 1.21 -0.10 0.00 0.00 175.22 176.83 2k78 s ASN 54 N 1.92 6.46 0.49 1.36 2.47 -1.25 -5.00 114.94 121.38 2k78 s ASN 54 Ca 0.07 1.27 0.01 0.00 0.42 0.00 0.00 52.86 54.63 2k78 s ASN 54 Cb -0.23 -2.54 0.01 0.00 -1.45 0.00 0.00 41.25 37.04 2k78 s ASN 54 CO -0.03 -1.25 0.70 -1.59 -3.72 0.00 0.00 177.10 171.22 2k78 s LYS 55 N 4.58 2.86 0.52 0.43 -2.85 -1.26 -4.61 119.74 119.41 2k78 s LYS 55 Ca 0.64 -0.63 -0.07 0.00 -1.00 0.00 0.00 55.97 54.91 2k78 s LYS 55 Cb -0.19 -2.54 0.12 0.00 -2.06 0.00 0.00 37.83 33.16 2k78 s LYS 55 CO 0.28 -0.43 0.71 -0.35 0.10 0.00 0.00 175.35 175.66 2k78 n PRO 56 N -2.17 -0.53 -3.88 1.78 -0.04 -1.26 -5.15 135.00 123.76 2k78 n PRO 56 Ca 0.04 -1.25 -0.21 0.00 -0.04 0.00 0.00 63.50 62.04 2k78 n PRO 56 Cb 0.58 -0.69 -0.03 0.00 -0.04 0.00 0.00 33.50 33.33 2k78 n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k78 s ALA 57 N -3.76 3.83 -0.35 0.55 0.00 -1.17 -4.91 121.76 115.95 2k78 s ALA 57 Ca 0.42 -1.49 -0.14 0.00 0.00 0.00 0.00 51.96 50.75 2k78 s ALA 57 Cb -0.01 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 2k78 s ALA 57 CO 0.29 0.12 0.30 0.15 0.00 0.00 0.00 175.76 176.61 2k78 s LYS 58 N -3.97 3.47 0.31 0.00 1.02 -1.11 -1.85 119.74 117.61 2k78 s LYS 58 Ca 0.38 -0.59 0.04 0.00 0.02 0.00 0.00 55.97 55.81 2k78 s LYS 58 Cb -0.08 -3.83 -0.02 0.00 -0.52 0.00 0.00 37.83 33.39 2k78 s LYS 58 CO 0.27 -0.51 0.47 1.52 -0.92 0.00 0.00 175.35 176.18 2k78 s TYR 59 N 1.84 3.36 -0.22 3.18 -0.85 -0.96 -0.25 117.35 123.46 2k78 s TYR 59 Ca 0.08 0.07 -0.11 0.00 -0.52 0.00 0.00 57.07 56.59 2k78 s TYR 59 Cb -0.17 -1.84 0.08 0.00 0.38 0.00 0.00 41.96 40.41 2k78 s TYR 59 CO 0.11 0.16 0.52 -1.50 -1.52 0.00 0.00 175.55 173.32 2k78 s ILE 60 N -2.18 -0.18 -0.06 -3.49 2.07 0.18 -0.98 121.20 116.56 2k78 s ILE 60 Ca 0.40 0.07 -0.02 0.00 -1.41 0.00 0.00 60.65 59.69 2k78 s ILE 60 Cb -0.09 -0.77 0.03 0.00 0.13 0.00 0.00 42.46 41.76 2k78 s ILE 60 CO 0.32 0.03 0.03 -0.54 -1.91 0.00 0.00 174.94 172.88 2k78 s LYS 61 N 1.77 0.26 -1.19 3.50 1.02 0.43 0.74 119.74 126.26 2k78 s LYS 61 Ca -0.08 0.22 -0.04 0.00 0.02 0.00 0.00 55.97 56.09 2k78 s LYS 61 Cb -0.08 -0.80 0.22 0.00 -0.52 0.00 0.00 37.83 36.64 2k78 s LYS 61 CO -0.15 -0.34 2.04 1.17 -0.92 0.00 0.00 175.35 177.14 2k78 n LYS 62 N 5.22 4.80 -2.75 1.68 4.81 -0.68 -4.31 118.16 126.93 2k78 n LYS 62 Ca -0.05 -4.03 -0.02 0.00 -0.87 0.00 0.00 58.31 53.34 2k78 n LYS 62 Cb 0.50 -2.59 -0.02 0.00 0.02 0.00 0.00 35.03 32.94 2k78 n LYS 62 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2k78 n ASN 63 N 1.25 -4.27 0.00 3.14 4.05 -1.26 -4.18 115.26 114.00 2k78 n ASN 63 Ca 0.51 1.18 0.00 0.00 0.45 0.00 0.00 54.58 56.72 2k78 n ASN 63 Cb 0.27 -3.27 0.00 0.00 1.23 0.00 0.00 39.78 38.02 2k78 n ASN 63 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k78 n GLY 64 N 2.13 3.36 3.12 8.20 0.00 -1.26 -5.03 105.19 115.72 2k78 n GLY 64 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 2k78 n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k78 s LYS 65 N -0.78 0.70 -0.23 1.61 0.00 -1.26 -5.14 119.74 114.64 2k78 s LYS 65 Ca 0.00 -1.04 -0.18 0.00 0.00 0.00 0.00 55.97 54.76 2k78 s LYS 65 Cb 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 37.83 37.58 2k78 s LYS 65 CO 0.00 0.03 0.58 -0.48 0.00 0.00 0.00 175.35 175.49 2k78 s LEU 66 N -2.26 -0.38 0.30 2.77 -0.00 -1.26 -1.69 118.68 116.16 2k78 s LEU 66 Ca 0.01 1.21 0.02 0.00 -0.00 0.00 0.00 54.13 55.37 2k78 s LEU 66 Cb -0.03 1.99 -0.02 0.00 -0.00 0.00 0.00 46.19 48.12 2k78 s LEU 66 CO -0.01 -0.21 0.29 -0.31 -0.00 0.00 0.00 176.35 176.11 2k78 s TYR 67 N 0.80 1.41 -0.12 3.48 1.51 0.23 -4.04 117.35 120.62 2k78 s TYR 67 Ca -0.04 -1.48 -0.13 0.00 -1.01 0.00 0.00 57.07 54.41 2k78 s TYR 67 Cb -0.05 -0.51 0.03 0.00 -0.11 0.00 0.00 41.96 41.32 2k78 s TYR 67 CO -0.06 -0.87 0.35 0.54 -1.11 0.00 0.00 175.55 174.40 2k78 s VAL 68 N -3.57 0.01 -0.16 0.71 0.11 -1.04 0.51 120.40 116.98 2k78 s VAL 68 Ca 0.37 -0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 59.27 2k78 s VAL 68 Cb 0.03 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 2k78 s VAL 68 CO 0.21 -0.04 0.13 0.00 -3.33 0.00 0.00 175.10 172.08 2k78 s GLN 69 N -0.05 3.81 -0.14 1.54 -2.07 0.65 -0.87 119.66 122.54 2k78 s GLN 69 Ca -0.02 -0.18 -0.02 0.00 -1.82 0.00 0.00 55.36 53.32 2k78 s GLN 69 Cb -0.03 -3.30 -0.02 0.00 -1.09 0.00 0.00 33.01 28.57 2k78 s GLN 69 CO 0.01 0.54 -0.07 0.42 -1.32 0.00 0.00 175.29 174.87 2k78 s ILE 70 N -0.33 3.65 -0.12 3.63 -1.09 -0.24 -2.75 121.20 123.96 2k78 s ILE 70 Ca 0.11 -0.45 -0.22 0.00 -2.23 0.00 0.00 60.65 57.86 2k78 s ILE 70 Cb -0.12 -2.57 -0.03 0.00 -1.58 0.00 0.00 42.46 38.16 2k78 s ILE 70 CO 0.01 0.51 0.66 -0.89 -1.23 0.00 0.00 174.94 174.01 2k78 s THR 71 N 0.21 5.04 -0.03 2.92 2.01 -1.26 -2.28 115.64 122.25 2k78 s THR 71 Ca -0.04 1.33 -0.02 0.00 0.31 0.00 0.00 61.69 63.27 2k78 s THR 71 Cb -0.14 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 2k78 s THR 71 CO 0.03 0.20 0.10 0.68 -0.69 0.00 0.00 174.62 174.95 2k78 s VAL 72 N 1.20 4.90 0.01 3.82 -7.23 0.22 -3.79 120.40 119.53 2k78 s VAL 72 Ca 0.34 -0.28 -0.03 0.00 -1.81 0.00 0.00 61.98 60.20 2k78 s VAL 72 Cb -0.17 -3.22 -0.04 0.00 0.56 0.00 0.00 36.38 33.51 2k78 s VAL 72 CO 0.14 0.40 0.21 0.20 -0.31 0.00 0.00 175.10 175.75 2k78 s ASN 73 N -1.61 6.40 -0.34 4.85 -0.87 -1.12 -2.73 114.94 119.52 2k78 s ASN 73 Ca 0.22 0.38 -0.14 0.00 -1.57 0.00 0.00 52.86 51.75 2k78 s ASN 73 Cb -0.12 -2.01 0.02 0.00 -0.02 0.00 0.00 41.25 39.11 2k78 s ASN 73 CO 0.12 0.23 0.36 1.41 -2.57 0.00 0.00 177.10 176.66 2k78 n HIS 74 N 0.81 -3.07 -0.26 2.20 8.25 -0.98 -4.25 115.22 117.91 2k78 n HIS 74 Ca -0.09 1.29 0.25 0.00 -0.26 0.00 0.00 57.72 58.91 2k78 n HIS 74 Cb 0.52 -3.27 0.60 0.00 1.12 0.00 0.00 29.99 28.96 2k78 n HIS 74 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2k78 h SER 75 N 2.53 0.26 -0.33 0.41 4.64 -1.84 0.72 113.55 119.94 2k78 h SER 75 Ca -0.10 0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 61.11 2k78 h SER 75 Cb 0.78 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2k78 h SER 75 CO 0.15 0.08 -0.37 -0.74 -0.87 0.00 0.00 176.83 175.08 2k78 h HIS 76 N 0.24 1.00 0.66 4.77 -0.00 -1.88 -3.33 115.15 116.62 2k78 h HIS 76 Ca 0.51 -0.31 -0.03 0.00 -0.00 0.00 0.00 60.37 60.53 2k78 h HIS 76 Cb 1.56 -0.21 0.01 0.00 -0.00 0.00 0.00 27.41 28.77 2k78 h HIS 76 CO -0.00 1.11 -0.32 -1.49 -0.00 0.00 0.00 177.93 177.23 2k78 h TRP 77 N 0.61 -0.82 -3.45 5.26 4.06 -1.08 -3.36 115.95 117.17 2k78 h TRP 77 Ca 0.05 -0.02 -0.61 0.00 2.06 0.00 0.00 58.89 60.37 2k78 h TRP 77 Cb 0.96 0.27 -0.11 0.00 -1.00 0.00 0.00 29.16 29.28 2k78 h TRP 77 CO 0.07 -0.51 0.26 -1.50 -3.56 0.00 0.00 178.44 173.20 2k78 s ILE 78 N -4.84 4.90 -0.19 1.49 2.07 -1.00 -3.15 121.20 120.48 2k78 s ILE 78 Ca -0.13 1.14 0.18 0.00 -1.41 0.00 0.00 60.65 60.43 2k78 s ILE 78 Cb 0.01 -4.03 -0.01 0.00 0.13 0.00 0.00 42.46 38.56 2k78 s ILE 78 CO 0.39 -0.10 1.09 0.00 -1.91 0.00 0.00 174.94 174.41 2k78 h THR 79 N 5.50 0.42 0.00 4.00 1.03 -1.54 -3.44 112.91 118.87 2k78 h THR 79 Ca -0.26 -1.71 0.00 0.00 -0.01 0.00 0.00 66.41 64.43 2k78 h THR 79 Cb 1.11 1.99 0.00 0.00 -1.07 0.00 0.00 68.15 70.18 2k78 h THR 79 CO 0.82 0.24 0.00 0.61 -0.01 0.00 0.00 175.52 177.18 2k78 n GLY 80 N 1.28 -0.21 3.10 2.99 0.00 -1.09 -4.93 105.19 106.33 2k78 n GLY 80 Ca -0.03 -0.91 -0.07 0.00 0.00 0.00 0.00 46.02 45.01 2k78 n GLY 80 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k78 s MET 81 N -2.00 0.39 0.69 1.61 -1.94 -1.26 -2.36 119.30 114.42 2k78 s MET 81 Ca 0.00 0.81 -0.06 0.00 -1.71 0.00 0.00 55.69 54.73 2k78 s MET 81 Cb 0.00 -0.00 0.06 0.00 2.01 0.00 0.00 34.83 36.89 2k78 s MET 81 CO 0.00 -0.50 1.00 -1.12 -0.01 0.00 0.00 175.02 174.39 2k78 s SER 82 N 2.63 4.88 -0.26 3.03 0.01 0.44 -4.01 113.70 120.42 2k78 s SER 82 Ca 0.09 0.46 -0.26 0.00 1.31 0.00 0.00 55.95 57.54 2k78 s SER 82 Cb -0.14 -1.14 0.13 0.00 0.21 0.00 0.00 66.02 65.08 2k78 s SER 82 CO -0.16 -1.55 1.07 -0.63 0.41 0.00 0.00 173.24 172.38 2k78 s ILE 83 N -3.21 0.00 -0.33 1.44 1.01 -0.78 -2.73 121.20 116.60 2k78 s ILE 83 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.25 2k78 s ILE 83 Cb -0.11 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.36 2k78 s ILE 83 CO 0.44 0.00 0.00 1.21 0.00 0.00 0.00 174.94 176.59 2k78 n GLU 84 N 1.86 -1.47 -0.71 2.79 0.00 -1.24 -1.65 120.64 120.22 2k78 n GLU 84 Ca -0.12 0.52 0.00 0.00 0.00 0.00 0.00 57.16 57.56 2k78 n GLU 84 Cb 0.56 -4.68 0.00 0.00 0.00 0.00 0.00 31.44 27.32 2k78 n GLU 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k78 n GLY 85 N -0.11 0.58 3.13 8.31 0.00 -1.26 -5.05 105.19 110.79 2k78 n GLY 85 Ca -0.03 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 2k78 n GLY 85 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k78 s HIS 86 N -2.00 0.73 0.79 1.61 -3.43 -0.66 -5.15 115.29 107.18 2k78 s HIS 86 Ca 0.00 -0.99 -0.11 0.00 -0.80 0.00 0.00 55.06 53.16 2k78 s HIS 86 Cb 0.00 -0.46 0.07 0.00 -1.43 0.00 0.00 32.58 30.75 2k78 s HIS 86 CO 0.00 -0.26 1.09 0.21 -2.00 0.00 0.00 174.74 173.77 2k78 s LYS 87 N -3.88 2.13 0.56 -0.38 2.47 -1.26 -1.87 119.74 117.51 2k78 s LYS 87 Ca 0.10 0.94 -0.01 0.00 -1.56 0.00 0.00 55.97 55.44 2k78 s LYS 87 Cb 0.07 -1.90 0.03 0.00 -1.46 0.00 0.00 37.83 34.56 2k78 s LYS 87 CO -0.07 -1.67 0.80 -1.83 0.16 0.00 0.00 175.35 172.75 2k78 s GLU 88 N -4.99 2.65 -0.11 4.03 -1.05 -1.26 -4.81 118.70 113.17 2k78 s GLU 88 Ca 0.61 -0.54 -0.00 0.00 -0.15 0.00 0.00 54.97 54.88 2k78 s GLU 88 Cb -0.16 -2.43 -0.02 0.00 -0.44 0.00 0.00 34.13 31.08 2k78 s GLU 88 CO 0.56 -0.69 -0.09 1.21 0.95 0.00 0.00 175.26 177.20 2k78 s ASN 89 N -4.38 4.42 0.38 0.83 3.04 -1.18 -4.94 114.94 113.11 2k78 s ASN 89 Ca 0.55 -0.17 -0.26 0.00 0.04 0.00 0.00 52.86 53.02 2k78 s ASN 89 Cb -0.10 -1.45 -0.09 0.00 -1.54 0.00 0.00 41.25 38.07 2k78 s ASN 89 CO 0.40 0.24 1.25 0.27 -3.04 0.00 0.00 177.10 176.22 2k78 s ILE 90 N -0.10 2.86 0.00 -5.21 -4.36 -1.26 -1.67 121.20 111.46 2k78 s ILE 90 Ca 0.00 0.78 0.00 0.00 -0.26 0.00 0.00 60.65 61.17 2k78 s ILE 90 Cb -0.13 -3.46 0.00 0.00 1.25 0.00 0.00 42.46 40.11 2k78 s ILE 90 CO 0.03 0.12 0.00 0.00 0.24 0.00 0.00 174.94 175.33 2k78 n ILE 91 N 0.31 0.00 -3.10 8.37 3.06 -1.03 -4.82 119.36 122.14 2k78 n ILE 91 Ca 0.03 0.00 0.03 0.00 -2.50 0.00 0.00 62.75 60.31 2k78 n ILE 91 Cb 0.44 -0.18 -0.00 0.00 0.54 0.00 0.00 39.64 40.44 2k78 n ILE 91 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 2k78 s SER 92 N -1.35 -1.16 -0.01 9.51 0.01 -1.25 -4.99 113.70 114.46 2k78 s SER 92 Ca 0.00 -0.24 -0.09 0.00 1.31 0.00 0.00 55.95 56.93 2k78 s SER 92 Cb 0.00 1.59 -0.05 0.00 0.21 0.00 0.00 66.02 67.77 2k78 s SER 92 CO 0.00 -0.17 0.30 -0.75 0.41 0.00 0.00 173.24 173.03 2k78 s LYS 93 N 2.35 3.67 -0.34 12.44 2.20 -1.26 -2.20 119.74 136.60 2k78 s LYS 93 Ca 0.16 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 2k78 s LYS 93 Cb -0.04 -3.13 0.14 0.00 -1.51 0.00 0.00 37.83 33.29 2k78 s LYS 93 CO -0.17 0.67 0.23 1.21 -0.36 0.00 0.00 175.35 176.94 2k78 s ASN 94 N -1.40 2.65 0.46 1.43 3.04 0.36 -4.96 114.94 116.53 2k78 s ASN 94 Ca 0.25 -1.92 0.25 0.00 0.04 0.00 0.00 52.86 51.48 2k78 s ASN 94 Cb -0.14 -0.18 1.00 0.00 -1.54 0.00 0.00 41.25 40.39 2k78 s ASN 94 CO 0.13 -0.32 1.86 0.71 -3.04 0.00 0.00 177.10 176.44 2k78 h THR 95 N 5.23 0.47 0.30 -5.21 1.35 -1.95 0.16 112.91 113.25 2k78 h THR 95 Ca 0.02 -1.01 -0.01 0.00 -0.55 0.00 0.00 66.41 64.86 2k78 h THR 95 Cb 0.99 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 2k78 h THR 95 CO 0.27 0.18 -0.14 0.00 -0.25 0.00 0.00 175.52 175.58 2k78 h ALA 96 N 1.81 -0.40 -0.61 6.62 0.00 -1.93 -2.99 119.26 121.75 2k78 h ALA 96 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k78 h ALA 96 Cb 0.70 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2k78 h ALA 96 CO 0.02 -0.66 0.00 1.17 0.00 0.00 0.00 179.25 179.78 2k78 n LYS 97 N -5.21 3.22 -3.44 0.00 4.81 -1.21 -4.96 118.16 111.37 2k78 n LYS 97 Ca -0.10 -2.53 -0.20 0.00 -0.87 0.00 0.00 58.31 54.60 2k78 n LYS 97 Cb 0.22 -1.75 0.04 0.00 0.02 0.00 0.00 35.03 33.56 2k78 n LYS 97 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k78 n ASP 98 N 1.13 -6.18 -3.76 3.14 8.00 -0.40 -4.86 116.55 113.63 2k78 n ASP 98 Ca 0.23 -0.75 -0.13 0.00 0.71 0.00 0.00 54.79 54.86 2k78 n ASP 98 Cb 0.75 -4.20 -0.12 0.00 -0.02 0.00 0.00 41.12 37.53 2k78 n ASP 98 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2k78 s GLU 99 N -4.87 0.31 0.10 -1.24 2.02 0.41 -2.33 118.70 113.11 2k78 s GLU 99 Ca 0.36 0.45 -0.05 0.00 0.02 0.00 0.00 54.97 55.74 2k78 s GLU 99 Cb -0.09 0.09 -0.02 0.00 0.10 0.00 0.00 34.13 34.21 2k78 s GLU 99 CO 0.80 -0.07 0.13 0.50 0.02 0.00 0.00 175.26 176.64 2k78 s ARG 100 N 0.46 0.86 0.05 1.61 3.52 -1.10 0.14 118.95 124.48 2k78 s ARG 100 Ca -0.03 -1.15 -0.03 0.00 -0.13 0.00 0.00 55.73 54.39 2k78 s ARG 100 Cb -0.04 0.30 -0.02 0.00 -1.56 0.00 0.00 34.95 33.62 2k78 s ARG 100 CO -0.02 -0.26 0.04 0.99 -0.81 0.00 0.00 175.30 175.24 2k78 s THR 101 N -3.93 0.16 -0.03 4.11 2.01 -0.93 0.69 115.64 117.72 2k78 s THR 101 Ca 0.11 -1.35 -0.07 0.00 0.31 0.00 0.00 61.69 60.69 2k78 s THR 101 Cb 0.06 -1.09 0.01 0.00 0.01 0.00 0.00 72.50 71.49 2k78 s THR 101 CO -0.06 -0.74 0.17 -0.94 -0.69 0.00 0.00 174.62 172.36 2k78 s SER 102 N -2.41 -0.09 0.11 3.53 1.04 -0.97 -2.48 113.70 112.43 2k78 s SER 102 Ca -0.01 0.08 -0.13 0.00 0.48 0.00 0.00 55.95 56.37 2k78 s SER 102 Cb 0.02 0.30 -0.06 0.00 0.10 0.00 0.00 66.02 66.37 2k78 s SER 102 CO -0.07 -0.24 0.50 -0.70 0.98 0.00 0.00 173.24 173.71 2k78 s GLU 103 N -0.70 3.93 -0.03 4.02 2.12 -0.67 -1.08 118.70 126.29 2k78 s GLU 103 Ca -0.08 0.41 0.03 0.00 0.36 0.00 0.00 54.97 55.70 2k78 s GLU 103 Cb -0.05 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.35 2k78 s GLU 103 CO 0.01 0.53 -0.12 -0.06 -0.54 0.00 0.00 175.26 175.08 2k78 s PHE 104 N -1.39 1.20 -0.18 5.30 0.08 -0.05 -3.10 117.98 119.84 2k78 s PHE 104 Ca 0.35 -0.32 -0.17 0.00 0.12 0.00 0.00 56.93 56.91 2k78 s PHE 104 Cb -0.15 -0.83 -0.04 0.00 -0.57 0.00 0.00 43.02 41.43 2k78 s PHE 104 CO 0.18 -0.12 0.45 -2.00 -0.10 0.00 0.00 175.22 173.63 2k78 s GLU 105 N 0.12 4.22 0.09 0.44 -6.30 -1.26 -2.49 118.70 113.52 2k78 s GLU 105 Ca -0.03 0.32 -0.12 0.00 -2.50 0.00 0.00 54.97 52.64 2k78 s GLU 105 Cb -0.09 -3.52 0.01 0.00 0.00 0.00 0.00 34.13 30.53 2k78 s GLU 105 CO 0.01 -0.02 0.28 0.54 0.02 0.00 0.00 175.26 176.09 2k78 s VAL 106 N 1.22 0.11 -0.38 3.70 0.11 -1.26 -4.80 120.40 119.10 2k78 s VAL 106 Ca 0.22 -0.88 -0.28 0.00 -2.93 0.00 0.00 61.98 58.11 2k78 s VAL 106 Cb -0.15 -1.18 -0.01 0.00 -1.53 0.00 0.00 36.38 33.51 2k78 s VAL 106 CO 0.09 -0.49 1.71 -0.94 -3.33 0.00 0.00 175.10 172.14 2k78 s SER 107 N -2.63 5.94 0.39 3.54 1.04 -1.26 -4.79 113.70 115.92 2k78 s SER 107 Ca 0.02 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.54 2k78 s SER 107 Cb 0.02 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.62 2k78 s SER 107 CO -0.09 -1.71 0.00 0.29 0.98 0.00 0.00 173.24 172.71 2k78 n LYS 108 N 8.42 0.00 -2.93 4.02 4.76 -1.26 -4.53 118.16 126.65 2k78 n LYS 108 Ca 0.21 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.52 2k78 n LYS 108 Cb 0.48 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.70 2k78 n LYS 108 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2k78 n LEU 109 N 0.00 -1.06 -3.38 -0.35 -0.00 -1.26 -4.97 117.00 105.98 2k78 n LEU 109 Ca 0.00 -4.22 -0.17 0.00 -0.00 0.00 0.00 56.01 51.61 2k78 n LEU 109 Cb 0.00 0.83 -0.09 0.00 -0.00 0.00 0.00 43.42 44.17 2k78 n LEU 109 CO 0.00 2.15 -0.17 0.21 -0.00 0.00 0.00 177.39 179.58 2k78 s ASN 110 N -1.73 1.44 0.00 1.45 2.47 -1.26 -0.69 114.94 116.62 2k78 s ASN 110 Ca 0.30 -1.26 0.00 0.00 0.42 0.00 0.00 52.86 52.32 2k78 s ASN 110 Cb 0.30 0.50 0.00 0.00 -1.45 0.00 0.00 41.25 40.60 2k78 s ASN 110 CO -0.08 -0.31 0.00 0.61 -3.72 0.00 0.00 177.10 173.60 2k78 n GLY 111 N 4.68 0.01 3.43 1.21 0.00 0.08 -4.94 105.19 109.66 2k78 n GLY 111 Ca 0.06 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 2k78 n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k78 s LYS 112 N 0.00 0.95 -0.03 1.61 2.36 -1.26 -1.98 119.74 121.40 2k78 s LYS 112 Ca 0.00 0.11 0.00 0.00 -2.55 0.00 0.00 55.97 53.53 2k78 s LYS 112 Cb 0.00 0.44 0.03 0.00 -1.05 0.00 0.00 37.83 37.25 2k78 s LYS 112 CO 0.00 -0.29 0.01 0.42 1.55 0.00 0.00 175.35 177.04 2k78 s ILE 113 N -1.29 0.09 0.07 5.43 -1.09 -0.80 -4.92 121.20 118.69 2k78 s ILE 113 Ca -0.11 0.15 -0.30 0.00 -2.23 0.00 0.00 60.65 58.15 2k78 s ILE 113 Cb -0.02 -0.21 -0.05 0.00 -1.58 0.00 0.00 42.46 40.60 2k78 s ILE 113 CO 0.08 0.13 1.11 -1.81 -1.23 0.00 0.00 174.94 173.22 2k78 s ASP 114 N 1.12 7.22 0.00 3.58 1.01 -1.26 -1.15 116.67 127.19 2k78 s ASP 114 Ca -0.09 1.92 0.00 0.00 0.71 0.00 0.00 52.55 55.09 2k78 s ASP 114 Cb -0.13 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.22 2k78 s ASP 114 CO -0.02 -0.34 0.00 0.61 0.21 0.00 0.00 175.17 175.62 2k78 n GLY 115 N 2.85 4.59 3.42 0.21 0.00 -1.08 -3.62 105.19 111.56 2k78 n GLY 115 Ca 0.07 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.57 2k78 n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k78 s LYS 116 N 0.20 1.53 -0.23 1.61 1.02 -1.11 -3.06 119.74 119.70 2k78 s LYS 116 Ca 0.00 -1.54 -0.22 0.00 0.02 0.00 0.00 55.97 54.23 2k78 s LYS 116 Cb 0.00 0.39 0.06 0.00 -0.52 0.00 0.00 37.83 37.76 2k78 s LYS 116 CO 0.00 -0.59 0.64 -1.50 -0.92 0.00 0.00 175.35 172.98 2k78 s ILE 117 N -3.81 0.00 0.23 2.17 -1.16 -0.14 0.16 121.20 118.65 2k78 s ILE 117 Ca 0.31 -0.00 0.07 0.00 -0.51 0.00 0.00 60.65 60.51 2k78 s ILE 117 Cb 0.02 -0.89 -0.04 0.00 0.61 0.00 0.00 42.46 42.16 2k78 s ILE 117 CO 0.14 -0.00 0.16 -1.81 -2.81 0.00 0.00 174.94 170.61 2k78 s ASP 118 N 0.27 5.42 0.05 4.50 1.01 -1.00 -0.46 116.67 126.47 2k78 s ASP 118 Ca -0.00 -0.25 0.03 0.00 0.71 0.00 0.00 52.55 53.03 2k78 s ASP 118 Cb -0.04 -1.36 -0.02 0.00 1.01 0.00 0.00 42.92 42.50 2k78 s ASP 118 CO 0.01 -0.00 -0.09 -0.69 0.21 0.00 0.00 175.17 174.61 2k78 s VAL 119 N -2.03 0.66 -0.26 -1.27 1.01 -0.24 -1.79 120.40 116.48 2k78 s VAL 119 Ca 0.32 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 2k78 s VAL 119 Cb -0.08 -0.70 0.14 0.00 0.00 0.00 0.00 36.38 35.73 2k78 s VAL 119 CO 0.24 -0.34 0.38 -0.47 0.00 0.00 0.00 175.10 174.91 2k78 s TYR 120 N -1.35 -0.85 0.05 5.22 5.04 -1.19 -2.79 117.35 121.48 2k78 s TYR 120 Ca -0.08 0.64 0.01 0.00 -2.44 0.00 0.00 57.07 55.20 2k78 s TYR 120 Cb -0.10 -0.05 -0.03 0.00 0.35 0.00 0.00 41.96 42.13 2k78 s TYR 120 CO 0.01 -0.80 -0.06 0.42 -1.34 0.00 0.00 175.55 173.78 2k78 s ILE 121 N 2.53 0.42 -0.30 3.14 1.09 0.40 -4.42 121.20 124.06 2k78 s ILE 121 Ca 0.12 -1.25 0.01 0.00 -1.10 0.00 0.00 60.65 58.43 2k78 s ILE 121 Cb -0.15 -0.79 0.19 0.00 -1.06 0.00 0.00 42.46 40.66 2k78 s ILE 121 CO -0.21 -0.56 0.61 1.51 -0.10 0.00 0.00 174.94 176.19 2k78 s ASP 122 N -1.93 -1.45 0.09 3.58 1.47 -1.26 0.72 116.67 117.89 2k78 s ASP 122 Ca -0.06 0.64 -0.24 0.00 1.18 0.00 0.00 52.55 54.07 2k78 s ASP 122 Cb -0.06 2.11 0.08 0.00 -0.34 0.00 0.00 42.92 44.71 2k78 s ASP 122 CO -0.02 -0.27 1.10 -1.84 0.68 0.00 0.00 175.17 174.82 2k78 n GLU 123 N 5.43 0.42 -2.75 2.11 0.28 -0.87 -4.99 120.64 120.27 2k78 n GLU 123 Ca 0.01 -1.11 -0.42 0.00 -0.16 0.00 0.00 57.16 55.47 2k78 n GLU 123 Cb 0.52 1.61 -0.03 0.00 1.43 0.00 0.00 31.44 34.97 2k78 n GLU 123 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2k78 s LYS 124 N -2.03 3.29 -0.52 3.44 1.02 -1.26 -0.28 119.74 123.40 2k78 s LYS 124 Ca 0.25 -0.90 -0.28 0.00 0.02 0.00 0.00 55.97 55.06 2k78 s LYS 124 Cb -0.02 -4.52 0.01 0.00 -0.52 0.00 0.00 37.83 32.79 2k78 s LYS 124 CO 0.03 -1.95 1.38 0.08 -0.92 0.00 0.00 175.35 173.96 2k78 s VAL 125 N 4.37 3.86 -1.56 3.17 1.01 0.13 -3.28 120.40 128.11 2k78 s VAL 125 Ca 0.31 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.08 2k78 s VAL 125 Cb -0.10 -4.41 0.00 0.00 0.00 0.00 0.00 36.38 31.87 2k78 s VAL 125 CO 0.05 -1.06 0.00 -3.20 0.00 0.00 0.00 175.10 170.88 2k78 n ASN 126 N 9.20 -4.96 -0.14 3.32 4.05 -1.26 -2.40 115.26 123.06 2k78 n ASN 126 Ca 0.13 0.15 0.00 0.00 0.45 0.00 0.00 54.58 55.31 2k78 n ASN 126 Cb 0.49 -4.01 0.00 0.00 1.23 0.00 0.00 39.78 37.49 2k78 n ASN 126 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k78 n GLY 127 N -0.98 1.00 2.98 8.20 0.00 -1.20 -5.08 105.19 110.11 2k78 n GLY 127 Ca -0.19 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 2k78 n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k78 s LYS 128 N -2.88 0.14 -0.31 1.61 1.02 -1.01 -5.06 119.74 113.24 2k78 s LYS 128 Ca 0.00 0.52 -0.31 0.00 0.02 0.00 0.00 55.97 56.20 2k78 s LYS 128 Cb 0.00 -0.15 -0.08 0.00 -0.52 0.00 0.00 37.83 37.08 2k78 s LYS 128 CO 0.00 -0.20 2.24 -2.30 -0.92 0.00 0.00 175.35 174.17 2k78 n PRO 129 N 4.53 1.48 -4.66 -1.68 -0.02 -1.26 0.22 135.00 133.61 2k78 n PRO 129 Ca -0.20 0.38 -0.31 0.00 -2.02 0.00 0.00 63.50 61.34 2k78 n PRO 129 Cb 0.52 -2.91 -0.12 0.00 -0.02 0.00 0.00 33.50 30.97 2k78 n PRO 129 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2k78 s PHE 130 N 8.29 2.64 -0.09 6.00 5.36 0.61 -4.89 117.98 135.90 2k78 s PHE 130 Ca 1.05 -0.21 -0.02 0.00 -0.96 0.00 0.00 56.93 56.80 2k78 s PHE 130 Cb -0.55 -1.51 0.03 0.00 -0.34 0.00 0.00 43.02 40.65 2k78 s PHE 130 CO 0.40 0.26 0.01 0.15 -1.46 0.00 0.00 175.22 174.58 2k78 s LYS 131 N -1.33 0.61 -0.14 10.12 3.01 -1.26 -2.05 119.74 128.70 2k78 s LYS 131 Ca 0.15 0.01 0.00 0.00 -1.01 0.00 0.00 55.97 55.12 2k78 s LYS 131 Cb -0.11 -1.19 -0.01 0.00 -1.01 0.00 0.00 37.83 35.51 2k78 s LYS 131 CO 0.05 -0.37 -0.14 -0.47 0.51 0.00 0.00 175.35 174.93 2k78 s TYR 132 N 1.96 2.79 -0.45 3.18 5.04 0.22 -4.94 117.35 125.15 2k78 s TYR 132 Ca 0.04 -0.82 0.03 0.00 -2.44 0.00 0.00 57.07 53.88 2k78 s TYR 132 Cb -0.13 -1.86 0.19 0.00 0.35 0.00 0.00 41.96 40.51 2k78 s TYR 132 CO -0.06 -0.33 0.82 0.16 -1.34 0.00 0.00 175.55 174.80 2k78 s ASP 133 N 0.57 -1.12 0.10 4.32 1.47 -1.25 -0.45 116.67 120.31 2k78 s ASP 133 Ca -0.09 -1.13 -0.02 0.00 1.18 0.00 0.00 52.55 52.49 2k78 s ASP 133 Cb -0.16 1.45 0.01 0.00 -0.34 0.00 0.00 42.92 43.89 2k78 s ASP 133 CO 0.04 -0.06 0.18 1.57 0.68 0.00 0.00 175.17 177.57 2k78 n HIS 134 N 3.18 -1.05 -4.45 2.11 -0.00 -1.12 -4.98 115.22 108.92 2k78 n HIS 134 Ca 0.14 -0.59 -0.23 0.00 0.46 0.00 0.00 57.72 57.51 2k78 n HIS 134 Cb 0.59 0.21 -0.10 0.00 -0.12 0.00 0.00 29.99 30.56 2k78 n HIS 134 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2k78 s HIS 135 N -5.77 2.12 -0.20 1.57 -3.43 -1.26 -1.08 115.29 107.24 2k78 s HIS 135 Ca 0.06 -0.48 -0.20 0.00 -0.80 0.00 0.00 55.06 53.65 2k78 s HIS 135 Cb -0.01 -1.04 0.05 0.00 -1.43 0.00 0.00 32.58 30.16 2k78 s HIS 135 CO 0.05 0.53 0.55 0.71 -2.00 0.00 0.00 174.74 174.58 2k78 s TYR 136 N -2.72 -0.60 0.40 0.38 2.02 0.39 -4.98 117.35 112.24 2k78 s TYR 136 Ca 0.29 1.44 -0.07 0.00 -0.37 0.00 0.00 57.07 58.35 2k78 s TYR 136 Cb -0.01 0.21 -0.05 0.00 -0.40 0.00 0.00 41.96 41.71 2k78 s TYR 136 CO 0.13 -0.31 0.72 0.54 -1.57 0.00 0.00 175.55 175.06 2k78 s ASN 137 N 0.19 6.42 -0.16 2.29 2.20 -1.26 -0.97 114.94 123.66 2k78 s ASN 137 Ca -0.01 0.96 -0.23 0.00 -0.94 0.00 0.00 52.86 52.63 2k78 s ASN 137 Cb -0.04 -2.25 0.06 0.00 -2.00 0.00 0.00 41.25 37.02 2k78 s ASN 137 CO 0.01 -0.41 0.61 0.27 -2.94 0.00 0.00 177.10 174.64 2k78 s ILE 138 N -2.42 0.01 -0.14 0.54 -4.36 -1.17 -4.59 121.20 109.07 2k78 s ILE 138 Ca 0.48 -0.05 -0.18 0.00 -0.26 0.00 0.00 60.65 60.64 2k78 s ILE 138 Cb -0.10 -0.88 -0.04 0.00 1.25 0.00 0.00 42.46 42.69 2k78 s ILE 138 CO 0.35 -0.03 0.50 -0.89 0.24 0.00 0.00 174.94 175.11 2k78 s THR 139 N -0.26 5.16 0.41 8.37 2.01 -0.67 -2.64 115.64 128.02 2k78 s THR 139 Ca -0.04 0.97 -0.02 0.00 0.31 0.00 0.00 61.69 62.90 2k78 s THR 139 Cb -0.03 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 2k78 s THR 139 CO 0.04 0.28 0.67 -0.31 -0.69 0.00 0.00 174.62 174.61 2k78 s TYR 140 N 0.92 3.53 -0.27 4.92 2.02 -0.30 -0.51 117.35 127.66 2k78 s TYR 140 Ca 0.26 0.58 -0.01 0.00 -0.37 0.00 0.00 57.07 57.53 2k78 s TYR 140 Cb -0.15 -2.10 0.13 0.00 -0.40 0.00 0.00 41.96 39.43 2k78 s TYR 140 CO 0.10 -0.08 0.28 0.21 -1.57 0.00 0.00 175.55 174.49 2k78 s LYS 141 N -4.53 0.29 0.23 -0.62 2.36 0.24 -1.90 119.74 115.81 2k78 s LYS 141 Ca 0.44 -0.06 -0.06 0.00 -2.55 0.00 0.00 55.97 53.74 2k78 s LYS 141 Cb -0.10 -0.77 -0.06 0.00 -1.05 0.00 0.00 37.83 35.85 2k78 s LYS 141 CO 0.40 -0.94 0.49 -0.06 1.55 0.00 0.00 175.35 176.80 2k78 s PHE 142 N 2.35 3.46 -0.32 4.03 0.08 -0.83 0.73 117.98 127.48 2k78 s PHE 142 Ca 0.09 0.65 -0.00 0.00 0.12 0.00 0.00 56.93 57.79 2k78 s PHE 142 Cb -0.14 -2.10 0.13 0.00 -0.57 0.00 0.00 43.02 40.34 2k78 s PHE 142 CO -0.28 0.29 0.26 -0.80 -0.10 0.00 0.00 175.22 174.58 2k78 s ASN 143 N -2.75 2.26 0.00 1.36 0.01 0.40 -0.74 114.94 115.47 2k78 s ASN 143 Ca 0.44 -1.38 0.00 0.00 -0.71 0.00 0.00 52.86 51.21 2k78 s ASN 143 Cb -0.11 0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.68 2k78 s ASN 143 CO 0.26 -0.35 0.00 0.61 -1.51 0.00 0.00 177.10 176.11 2k78 n GLY 144 N 4.78 4.03 3.30 0.66 0.00 0.13 -2.42 105.19 115.67 2k78 n GLY 144 Ca 0.03 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 2k78 n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k78 s PRO 145 N 1.52 -2.96 0.30 1.61 0.04 -1.26 -4.74 135.00 129.51 2k78 s PRO 145 Ca 0.00 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.20 2k78 s PRO 145 Cb 0.00 -1.37 0.00 0.00 0.04 0.00 0.00 34.50 33.17 2k78 s PRO 145 CO 0.00 -4.90 0.00 0.25 0.04 0.00 0.00 177.00 172.39 2k78 n THR 146 N -5.66 0.00 0.05 1.26 -2.24 -1.26 -4.45 114.28 101.98 2k78 n THR 146 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2k78 n THR 146 Cb 0.60 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 2k78 n THR 146 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k78 n ASP 147 N -3.25 1.01 -3.72 3.42 9.92 -1.26 -5.03 116.55 117.64 2k78 n ASP 147 Ca 0.00 0.13 -0.25 0.00 -0.53 0.00 0.00 54.79 54.14 2k78 n ASP 147 Cb 0.00 -0.30 0.05 0.00 -0.64 0.00 0.00 41.12 40.24 2k78 n ASP 147 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2k78 n VAL 148 N -3.42 -3.06 -0.02 2.53 0.31 -1.26 -4.90 118.33 108.50 2k78 n VAL 148 Ca 0.00 -0.10 -0.18 0.00 -0.01 0.00 0.00 64.34 64.05 2k78 n VAL 148 Cb 0.00 -3.62 -0.13 0.00 -0.91 0.00 0.00 33.84 29.18 2k78 n VAL 148 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k78 h ALA 149 N 0.97 0.02 0.00 3.52 0.00 -2.07 -3.56 119.26 118.15 2k78 h ALA 149 Ca -0.58 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 53.60 2k78 h ALA 149 Cb 1.37 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2k78 h ALA 149 CO 0.60 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.58