#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k78 s ALA 26 N 0.00 2.49 -1.54 -1.46 0.00 -1.26 -4.80 121.76 115.20 2k78 s ALA 26 Ca 0.00 -2.84 -0.02 0.00 0.00 0.00 0.00 51.96 49.10 2k78 s ALA 26 Cb 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.17 2k78 s ALA 26 CO 0.00 -2.05 0.24 -1.71 0.00 0.00 0.00 175.76 172.24 2k78 n ASN 27 N 3.26 -5.60 -4.65 0.00 5.15 -1.26 -4.92 115.26 107.24 2k78 n ASN 27 Ca 0.10 -0.12 -0.43 0.00 -0.60 0.00 0.00 54.58 53.53 2k78 n ASN 27 Cb 0.35 -4.55 -0.02 0.00 -0.53 0.00 0.00 39.78 35.03 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 -3.03 3.57 0.00 5.20 0.00 -1.26 -4.88 121.76 121.37 2k78 s ALA 28 Ca 0.12 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.36 2k78 s ALA 28 Cb -0.05 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2k78 s ALA 28 CO 0.15 -1.35 0.00 0.00 0.00 0.00 0.00 175.76 174.56 2k78 n ALA 29 N 6.87 0.00 -2.30 0.00 0.00 -1.26 -4.74 120.51 119.08 2k78 n ALA 29 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.41 2k78 n ALA 29 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.89 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 -3.85 -4.97 -3.62 0.00 8.00 -1.26 -4.84 116.55 106.00 2k78 n ASP 30 Ca 0.00 0.12 -0.14 0.00 0.71 0.00 0.00 54.79 55.49 2k78 n ASP 30 Cb 0.00 -4.21 -0.07 0.00 -0.02 0.00 0.00 41.12 36.82 2k78 n ASP 30 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2k78 s SER 31 N -2.09 -0.69 0.00 -2.24 0.15 -1.26 0.10 113.70 107.66 2k78 s SER 31 Ca 0.00 1.30 0.00 0.00 0.70 0.00 0.00 55.95 57.95 2k78 s SER 31 Cb 0.00 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 2k78 s SER 31 CO 0.00 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2k78 n GLY 32 N 2.47 -0.96 3.56 9.45 0.00 -0.45 -4.98 105.19 114.28 2k78 n GLY 32 Ca -0.14 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 2k78 n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k78 s THR 33 N -2.00 4.70 0.22 2.61 -4.23 -1.26 0.12 115.64 115.80 2k78 s THR 33 Ca 0.00 0.60 -0.02 0.00 -1.18 0.00 0.00 61.69 61.09 2k78 s THR 33 Cb 0.00 -4.26 -0.05 0.00 1.34 0.00 0.00 72.50 69.53 2k78 s THR 33 CO 0.00 -0.58 0.44 -0.22 -0.54 0.00 0.00 174.62 173.72 2k78 s LEU 34 N 3.17 4.18 0.18 4.79 2.96 0.13 -4.89 118.68 129.20 2k78 s LEU 34 Ca 0.30 0.50 -0.28 0.00 -0.22 0.00 0.00 54.13 54.43 2k78 s LEU 34 Cb -0.13 -3.28 -0.08 0.00 0.50 0.00 0.00 46.19 43.20 2k78 s LEU 34 CO 0.20 -0.08 0.87 0.20 -1.32 0.00 0.00 176.35 176.21 2k78 s ASN 35 N -3.12 7.50 0.01 3.68 0.01 -1.09 -2.57 114.94 119.37 2k78 s ASN 35 Ca 0.40 1.78 -0.28 0.00 -0.71 0.00 0.00 52.86 54.05 2k78 s ASN 35 Cb -0.11 -2.56 0.10 0.00 0.41 0.00 0.00 41.25 39.09 2k78 s ASN 35 CO 0.29 0.15 0.88 -0.72 -1.51 0.00 0.00 177.10 176.19 2k78 s TYR 36 N -0.97 -0.35 0.00 2.20 -0.85 -1.26 -0.43 117.35 115.69 2k78 s TYR 36 Ca 0.39 0.20 0.00 0.00 -0.52 0.00 0.00 57.07 57.15 2k78 s TYR 36 Cb -0.24 0.54 0.00 0.00 0.38 0.00 0.00 41.96 42.64 2k78 s TYR 36 CO 0.29 -0.57 0.00 -1.91 -1.52 0.00 0.00 175.55 171.84 2k78 n GLU 37 N -0.26 0.00 -4.19 -3.49 2.13 0.35 -4.88 120.64 110.31 2k78 n GLU 37 Ca -0.09 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.59 2k78 n GLU 37 Cb 0.62 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.25 2k78 n GLU 37 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2k78 s VAL 38 N -2.71 0.00 0.02 6.31 -7.23 -1.26 0.12 120.40 115.65 2k78 s VAL 38 Ca 0.00 -1.89 -0.11 0.00 -1.81 0.00 0.00 61.98 58.16 2k78 s VAL 38 Cb 0.00 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.46 2k78 s VAL 38 CO 0.00 0.00 0.24 -0.31 -0.31 0.00 0.00 175.10 174.72 2k78 s TYR 39 N -3.78 -0.04 0.01 2.82 2.02 -0.27 -3.77 117.35 114.35 2k78 s TYR 39 Ca 0.37 -0.06 -0.30 0.00 -0.37 0.00 0.00 57.07 56.71 2k78 s TYR 39 Cb 0.04 0.02 -0.06 0.00 -0.40 0.00 0.00 41.96 41.56 2k78 s TYR 39 CO 0.18 -0.41 1.53 0.21 -1.57 0.00 0.00 175.55 175.49 2k78 s LYS 40 N -2.03 4.24 0.50 -0.62 2.47 -0.35 -1.86 119.74 122.09 2k78 s LYS 40 Ca -0.09 2.13 -0.20 0.00 -1.56 0.00 0.00 55.97 56.24 2k78 s LYS 40 Cb -0.03 -3.64 -0.10 0.00 -1.46 0.00 0.00 37.83 32.59 2k78 s LYS 40 CO -0.01 -0.68 0.64 0.98 0.16 0.00 0.00 175.35 176.45 2k78 n TYR 41 N 5.73 -0.23 -0.82 4.03 9.36 -1.26 -0.64 117.16 133.32 2k78 n TYR 41 Ca 0.15 0.51 0.00 0.00 3.32 0.00 0.00 57.90 61.88 2k78 n TYR 41 Cb 0.42 -2.02 0.00 0.00 -0.63 0.00 0.00 39.34 37.11 2k78 n TYR 41 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2k78 n ASN 42 N 0.67 -0.33 -0.04 2.98 5.03 -1.26 -4.92 115.26 117.38 2k78 n ASN 42 Ca 0.11 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.56 2k78 n ASN 42 Cb 0.44 -1.01 0.00 0.00 -1.02 0.00 0.00 39.78 38.18 2k78 n ASN 42 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2k78 n THR 43 N -2.05 0.00 -0.89 3.41 -2.24 0.19 -5.07 114.28 107.63 2k78 n THR 43 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2k78 n THR 43 Cb 0.02 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.25 2k78 n THR 43 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2k78 n ASN 44 N -0.10 0.58 -3.95 3.42 2.85 -1.26 -4.73 115.26 112.07 2k78 n ASN 44 Ca 0.00 -1.45 -0.16 0.00 -0.11 0.00 0.00 54.58 52.86 2k78 n ASN 44 Cb 0.00 -0.04 -0.15 0.00 1.24 0.00 0.00 39.78 40.83 2k78 n ASN 44 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2k78 s ASP 45 N -0.49 0.62 0.23 1.20 1.01 -1.26 -4.85 116.67 113.14 2k78 s ASP 45 Ca 0.01 -0.09 -0.31 0.00 0.71 0.00 0.00 52.55 52.88 2k78 s ASP 45 Cb 0.01 -0.10 -0.10 0.00 1.01 0.00 0.00 42.92 43.74 2k78 s ASP 45 CO 0.00 0.05 1.52 -0.89 0.21 0.00 0.00 175.17 176.07 2k78 s THR 46 N -0.02 2.48 0.00 -1.27 2.01 -1.25 -1.21 115.64 116.39 2k78 s THR 46 Ca 0.01 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.39 2k78 s THR 46 Cb -0.03 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.23 2k78 s THR 46 CO -0.00 0.05 0.00 -0.24 -0.69 0.00 0.00 174.62 173.74 2k78 n SER 47 N 2.82 2.15 0.00 3.53 2.88 -1.26 -4.78 113.62 118.96 2k78 n SER 47 Ca 0.09 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2k78 n SER 47 Cb 0.39 0.56 0.00 0.00 -0.75 0.00 0.00 64.21 64.41 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 -0.78 0.00 0.20 2.46 5.41 -1.26 -4.84 119.36 120.56 2k78 n ILE 48 Ca 0.00 0.00 0.17 0.00 1.00 0.00 0.00 62.75 63.92 2k78 n ILE 48 Cb 0.00 -0.12 0.69 0.00 -0.71 0.00 0.00 39.64 39.50 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 1.81 0.00 -1.39 0.00 -1.97 -0.27 119.26 117.43 2k78 h ALA 49 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k78 h ALA 49 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k78 h ALA 49 CO 0.00 -0.62 0.21 -2.95 0.00 0.00 0.00 179.25 175.90 2k78 h ASN 50 N 0.00 0.00 -0.47 0.00 7.08 -1.90 0.14 115.58 120.43 2k78 h ASN 50 Ca 0.11 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.33 2k78 h ASN 50 Cb 1.11 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.35 2k78 h ASN 50 CO -0.00 0.00 0.00 0.47 -2.08 0.00 0.00 177.43 175.82 2k78 n ASP 51 N -2.85 3.69 -0.31 6.14 8.00 -0.11 -4.09 116.55 127.01 2k78 n ASP 51 Ca -0.02 -2.36 0.00 0.00 0.71 0.00 0.00 54.79 53.12 2k78 n ASP 51 Cb 0.26 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 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 0.74 0.00 -3.98 1.24 4.01 0.50 -5.00 117.16 114.67 2k78 n TYR 52 Ca 0.19 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.62 2k78 n TYR 52 Cb 0.71 -0.01 -0.15 0.00 -0.31 0.00 0.00 39.34 39.57 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 0.00 2.96 0.56 -0.72 0.40 -1.20 -3.08 117.98 116.90 2k78 s PHE 53 Ca 0.00 -2.27 -0.18 0.00 -0.60 0.00 0.00 56.93 53.88 2k78 s PHE 53 Cb 0.00 -2.07 -0.05 0.00 0.51 0.00 0.00 43.02 41.41 2k78 s PHE 53 CO 0.00 -0.86 1.07 -0.80 0.70 0.00 0.00 175.22 175.33 2k78 s ASN 54 N 1.19 5.84 0.13 1.36 -0.87 -1.22 -5.02 114.94 116.35 2k78 s ASN 54 Ca -0.00 1.94 -0.09 0.00 -1.57 0.00 0.00 52.86 53.14 2k78 s ASN 54 Cb -0.19 -2.55 -0.00 0.00 -0.02 0.00 0.00 41.25 38.48 2k78 s ASN 54 CO -0.08 -1.13 0.24 -1.59 -2.57 0.00 0.00 177.10 171.97 2k78 s LYS 55 N -3.68 1.00 0.70 -0.60 -2.85 -1.26 -4.53 119.74 108.52 2k78 s LYS 55 Ca 0.67 -1.06 -0.12 0.00 -1.00 0.00 0.00 55.97 54.46 2k78 s LYS 55 Cb -0.18 0.36 0.16 0.00 -2.06 0.00 0.00 37.83 36.11 2k78 s LYS 55 CO 0.31 -0.34 0.88 -0.35 0.10 0.00 0.00 175.35 175.94 2k78 n PRO 56 N -0.14 -1.19 -3.68 1.78 -0.04 -1.26 -5.15 135.00 125.32 2k78 n PRO 56 Ca -0.11 -1.36 -0.21 0.00 -0.04 0.00 0.00 63.50 61.78 2k78 n PRO 56 Cb 0.63 -0.97 -0.03 0.00 -0.04 0.00 0.00 33.50 33.09 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 -3.79 3.97 -0.35 0.55 0.00 -1.06 -4.92 121.76 116.16 2k78 s ALA 57 Ca 0.51 -1.68 -0.12 0.00 0.00 0.00 0.00 51.96 50.67 2k78 s ALA 57 Cb -0.02 -1.23 -0.00 0.00 0.00 0.00 0.00 23.12 21.87 2k78 s ALA 57 CO 0.36 -0.06 0.23 0.21 0.00 0.00 0.00 175.76 176.50 2k78 s LYS 58 N -4.06 3.28 0.38 0.00 2.20 -1.15 0.17 119.74 120.55 2k78 s LYS 58 Ca 0.44 -0.79 0.03 0.00 -0.36 0.00 0.00 55.97 55.29 2k78 s LYS 58 Cb -0.06 -3.78 -0.01 0.00 -1.51 0.00 0.00 37.83 32.47 2k78 s LYS 58 CO 0.28 -0.53 0.56 1.52 -0.36 0.00 0.00 175.35 176.82 2k78 s TYR 59 N 1.67 3.25 0.04 4.03 1.13 0.12 -0.40 117.35 127.18 2k78 s TYR 59 Ca 0.05 0.08 -0.20 0.00 -1.41 0.00 0.00 57.07 55.59 2k78 s TYR 59 Cb -0.18 -2.07 0.04 0.00 -1.10 0.00 0.00 41.96 38.66 2k78 s TYR 59 CO 0.09 -0.09 0.47 -1.50 -2.51 0.00 0.00 175.55 172.01 2k78 s ILE 60 N -2.34 0.04 0.24 -3.49 2.07 0.38 -1.34 121.20 116.76 2k78 s ILE 60 Ca 0.44 -0.34 0.01 0.00 -1.41 0.00 0.00 60.65 59.35 2k78 s ILE 60 Cb -0.10 -0.94 -0.05 0.00 0.13 0.00 0.00 42.46 41.50 2k78 s ILE 60 CO 0.34 -0.19 0.11 -0.54 -1.91 0.00 0.00 174.94 172.76 2k78 s LYS 61 N -2.32 1.36 -0.45 3.50 1.02 0.28 0.47 119.74 123.60 2k78 s LYS 61 Ca -0.06 -1.73 0.07 0.00 0.02 0.00 0.00 55.97 54.27 2k78 s LYS 61 Cb -0.01 -0.06 0.30 0.00 -0.52 0.00 0.00 37.83 37.54 2k78 s LYS 61 CO -0.01 -0.34 0.96 1.63 -0.92 0.00 0.00 175.35 176.66 2k78 n LYS 62 N -0.41 0.94 -3.08 1.68 5.02 0.65 -4.74 118.16 118.22 2k78 n LYS 62 Ca 0.01 -2.23 -0.10 0.00 -2.02 0.00 0.00 58.31 53.96 2k78 n LYS 62 Cb 0.66 -1.26 0.01 0.00 -0.02 0.00 0.00 35.03 34.42 2k78 n LYS 62 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2k78 n ASN 63 N 0.70 -6.95 0.00 4.39 5.15 -1.26 -4.04 115.26 113.26 2k78 n ASN 63 Ca 0.11 0.57 0.00 0.00 -0.60 0.00 0.00 54.58 54.66 2k78 n ASN 63 Cb 0.67 -3.22 0.00 0.00 -0.53 0.00 0.00 39.78 36.70 2k78 n ASN 63 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k78 n GLY 64 N 0.54 0.83 3.56 8.20 0.00 -1.26 -5.05 105.19 112.00 2k78 n GLY 64 Ca 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.80 0.64 -0.21 1.61 -2.85 -1.26 -5.10 119.74 110.78 2k78 s LYS 65 Ca 0.00 -0.26 -0.30 0.00 -1.00 0.00 0.00 55.97 54.42 2k78 s LYS 65 Cb 0.00 0.28 0.15 0.00 -2.06 0.00 0.00 37.83 36.20 2k78 s LYS 65 CO 0.00 -0.28 1.12 -0.48 0.10 0.00 0.00 175.35 175.81 2k78 s LEU 66 N -2.43 -0.26 0.26 2.77 2.34 -1.26 -0.25 118.68 119.85 2k78 s LEU 66 Ca 0.07 0.30 0.02 0.00 0.06 0.00 0.00 54.13 54.58 2k78 s LEU 66 Cb -0.01 1.60 -0.03 0.00 -0.56 0.00 0.00 46.19 47.19 2k78 s LEU 66 CO -0.06 -0.23 0.21 -0.31 -1.06 0.00 0.00 176.35 174.90 2k78 s TYR 67 N -1.01 1.38 -0.08 3.48 1.51 0.18 -3.49 117.35 119.31 2k78 s TYR 67 Ca 0.02 -1.48 -0.11 0.00 -1.01 0.00 0.00 57.07 54.49 2k78 s TYR 67 Cb -0.01 -0.59 0.03 0.00 -0.11 0.00 0.00 41.96 41.28 2k78 s TYR 67 CO -0.02 -0.76 0.30 0.54 -1.11 0.00 0.00 175.55 174.50 2k78 s VAL 68 N -3.83 0.02 -0.17 0.71 0.11 -0.88 0.14 120.40 116.51 2k78 s VAL 68 Ca 0.39 -0.16 -0.09 0.00 -2.93 0.00 0.00 61.98 59.19 2k78 s VAL 68 Cb 0.05 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.37 2k78 s VAL 68 CO 0.19 -0.09 0.15 0.00 -3.33 0.00 0.00 175.10 172.02 2k78 s GLN 69 N -0.30 3.93 -0.04 1.54 -2.07 0.46 -1.08 119.66 122.11 2k78 s GLN 69 Ca -0.04 -0.16 0.03 0.00 -1.82 0.00 0.00 55.36 53.37 2k78 s GLN 69 Cb -0.03 -3.34 -0.03 0.00 -1.09 0.00 0.00 33.01 28.52 2k78 s GLN 69 CO 0.01 0.47 -0.12 -1.50 -1.32 0.00 0.00 175.29 172.83 2k78 s ILE 70 N -0.14 3.25 -0.09 3.63 1.10 -0.38 -2.91 121.20 125.66 2k78 s ILE 70 Ca 0.11 -0.72 -0.21 0.00 -0.51 0.00 0.00 60.65 59.32 2k78 s ILE 70 Cb -0.12 -2.31 -0.04 0.00 0.15 0.00 0.00 42.46 40.14 2k78 s ILE 70 CO 0.01 0.54 0.59 -0.89 -2.11 0.00 0.00 174.94 173.08 2k78 s THR 71 N -0.80 5.11 -0.22 4.00 2.01 -1.26 -1.98 115.64 122.49 2k78 s THR 71 Ca 0.13 1.21 -0.09 0.00 0.31 0.00 0.00 61.69 63.25 2k78 s THR 71 Cb -0.11 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2k78 s THR 71 CO 0.02 0.29 0.10 -0.69 -0.69 0.00 0.00 174.62 173.65 2k78 s VAL 72 N 0.68 4.88 -0.11 3.82 1.01 0.44 -3.43 120.40 127.69 2k78 s VAL 72 Ca 0.32 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 62.24 2k78 s VAL 72 Cb -0.17 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2k78 s VAL 72 CO 0.14 0.39 0.14 0.21 0.00 0.00 0.00 175.10 175.97 2k78 s ASN 73 N 0.94 6.34 -0.46 3.32 3.84 -1.18 -1.77 114.94 125.97 2k78 s ASN 73 Ca 0.05 0.45 -0.10 0.00 0.21 0.00 0.00 52.86 53.47 2k78 s ASN 73 Cb -0.14 -2.04 0.01 0.00 -0.55 0.00 0.00 41.25 38.54 2k78 s ASN 73 CO 0.03 0.40 0.56 1.57 -2.79 0.00 0.00 177.10 176.87 2k78 n HIS 74 N 1.95 -3.00 -0.02 0.43 -0.00 -1.13 -4.67 115.22 108.78 2k78 n HIS 74 Ca -0.20 1.19 -0.02 0.00 0.46 0.00 0.00 57.72 59.16 2k78 n HIS 74 Cb 0.55 -3.83 0.23 0.00 -0.12 0.00 0.00 29.99 26.82 2k78 n HIS 74 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 2k78 h SER 75 N 1.42 0.55 -0.95 0.26 0.02 -1.78 -2.48 113.55 110.58 2k78 h SER 75 Ca 0.00 -0.14 0.16 0.00 -0.84 0.00 0.00 61.79 60.97 2k78 h SER 75 Cb 0.92 -0.15 -0.08 0.00 0.14 0.00 0.00 62.40 63.23 2k78 h SER 75 CO 0.20 0.68 0.60 -0.74 -1.14 0.00 0.00 176.83 176.44 2k78 h HIS 76 N 0.52 0.92 0.00 3.45 6.17 -1.92 -3.11 115.15 121.19 2k78 h HIS 76 Ca 0.10 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.21 2k78 h HIS 76 Cb 0.48 -0.29 0.00 0.00 2.52 0.00 0.00 27.41 30.13 2k78 h HIS 76 CO 0.02 0.29 -0.10 -1.49 0.71 0.00 0.00 177.93 177.36 2k78 h TRP 77 N 0.73 0.00 -3.39 5.26 6.55 -1.75 -3.40 115.95 119.95 2k78 h TRP 77 Ca 0.50 0.00 -0.60 0.00 0.95 0.00 0.00 58.89 59.75 2k78 h TRP 77 Cb 0.80 0.00 -0.09 0.00 -0.86 0.00 0.00 29.16 29.01 2k78 h TRP 77 CO -0.00 0.00 0.24 -1.50 -1.05 0.00 0.00 178.44 176.12 2k78 s ILE 78 N -1.61 4.96 -0.22 1.49 2.07 -0.96 -3.08 121.20 123.84 2k78 s ILE 78 Ca -0.03 1.31 0.20 0.00 -1.41 0.00 0.00 60.65 60.72 2k78 s ILE 78 Cb 0.00 -4.00 0.01 0.00 0.13 0.00 0.00 42.46 38.60 2k78 s ILE 78 CO 0.04 0.04 1.09 0.00 -1.91 0.00 0.00 174.94 174.21 2k78 h THR 79 N 5.28 0.26 0.00 4.00 1.03 -1.28 -3.40 112.91 118.81 2k78 h THR 79 Ca -0.28 -1.46 0.00 0.00 -0.01 0.00 0.00 66.41 64.66 2k78 h THR 79 Cb 1.13 1.84 0.00 0.00 -1.07 0.00 0.00 68.15 70.05 2k78 h THR 79 CO 0.80 0.15 0.00 0.61 -0.01 0.00 0.00 175.52 177.07 2k78 n GLY 80 N 1.24 -0.66 2.89 2.99 0.00 -1.13 -4.94 105.19 105.58 2k78 n GLY 80 Ca -0.02 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 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 0.34 0.46 1.61 -1.94 -1.26 -2.67 119.30 113.84 2k78 s MET 81 Ca 0.00 0.41 -0.09 0.00 -1.71 0.00 0.00 55.69 54.30 2k78 s MET 81 Cb 0.00 -0.53 -0.05 0.00 2.01 0.00 0.00 34.83 36.25 2k78 s MET 81 CO 0.00 -0.72 0.82 -1.54 -0.01 0.00 0.00 175.02 173.57 2k78 s SER 82 N 2.52 6.42 0.03 3.03 1.04 0.46 -4.06 113.70 123.13 2k78 s SER 82 Ca 0.12 1.13 -0.12 0.00 0.48 0.00 0.00 55.95 57.56 2k78 s SER 82 Cb -0.15 -2.33 0.01 0.00 0.10 0.00 0.00 66.02 63.66 2k78 s SER 82 CO -0.18 -0.52 0.25 -0.63 0.98 0.00 0.00 173.24 173.14 2k78 s ILE 83 N -2.59 0.09 -0.97 -1.02 1.01 -0.37 0.65 121.20 118.00 2k78 s ILE 83 Ca 0.51 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.45 2k78 s ILE 83 Cb -0.10 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.56 2k78 s ILE 83 CO 0.38 -0.39 0.00 1.21 0.00 0.00 0.00 174.94 176.14 2k78 n GLU 84 N 0.86 -1.57 -0.82 2.79 0.00 -0.90 -1.23 120.64 119.77 2k78 n GLU 84 Ca -0.20 0.80 0.00 0.00 0.00 0.00 0.00 57.16 57.76 2k78 n GLU 84 Cb 0.58 -5.12 0.00 0.00 0.00 0.00 0.00 31.44 26.90 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 0.00 0.50 3.16 8.31 0.00 -1.25 -5.05 105.19 110.86 2k78 n GLY 85 Ca -0.09 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 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 0.85 0.82 1.61 -3.43 -0.37 -5.15 115.29 107.63 2k78 s HIS 86 Ca 0.00 -0.92 -0.11 0.00 -0.80 0.00 0.00 55.06 53.23 2k78 s HIS 86 Cb 0.00 -0.50 0.08 0.00 -1.43 0.00 0.00 32.58 30.73 2k78 s HIS 86 CO 0.00 -0.17 1.09 0.15 -2.00 0.00 0.00 174.74 173.81 2k78 s LYS 87 N -3.81 1.91 0.60 -0.38 -0.14 -1.26 -1.24 119.74 115.42 2k78 s LYS 87 Ca 0.11 0.90 -0.01 0.00 -1.36 0.00 0.00 55.97 55.61 2k78 s LYS 87 Cb 0.05 -1.88 0.04 0.00 -1.68 0.00 0.00 37.83 34.37 2k78 s LYS 87 CO -0.05 -1.81 0.85 -1.83 -0.76 0.00 0.00 175.35 171.75 2k78 s GLU 88 N -4.98 2.42 -0.15 1.68 -1.05 -1.26 -4.70 118.70 110.66 2k78 s GLU 88 Ca 0.62 -0.62 -0.01 0.00 -0.15 0.00 0.00 54.97 54.81 2k78 s GLU 88 Cb -0.17 -2.39 -0.01 0.00 -0.44 0.00 0.00 34.13 31.13 2k78 s GLU 88 CO 0.56 -0.89 -0.12 1.21 0.95 0.00 0.00 175.26 176.97 2k78 s ASN 89 N -4.46 3.96 -0.49 0.83 2.47 -1.25 -4.99 114.94 111.01 2k78 s ASN 89 Ca 0.58 -0.38 -0.27 0.00 0.42 0.00 0.00 52.86 53.21 2k78 s ASN 89 Cb -0.10 -1.62 -0.03 0.00 -1.45 0.00 0.00 41.25 38.05 2k78 s ASN 89 CO 0.40 0.11 1.91 0.27 -3.72 0.00 0.00 177.10 176.07 2k78 s ILE 90 N 0.68 3.35 -0.12 -5.21 -5.25 -1.26 -3.23 121.20 110.16 2k78 s ILE 90 Ca -0.06 0.28 0.16 0.00 -0.99 0.00 0.00 60.65 60.04 2k78 s ILE 90 Cb -0.15 -3.71 -0.22 0.00 2.95 0.00 0.00 42.46 41.32 2k78 s ILE 90 CO 0.02 -0.61 0.47 0.00 -1.79 0.00 0.00 174.94 173.03 2k78 n ILE 91 N 7.39 1.33 -3.15 8.37 3.06 -1.00 -4.89 119.36 130.47 2k78 n ILE 91 Ca 0.23 -0.78 0.05 0.00 -2.50 0.00 0.00 62.75 59.75 2k78 n ILE 91 Cb 0.50 -0.70 -0.00 0.00 0.54 0.00 0.00 39.64 39.99 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 -5.70 -1.07 -0.54 9.51 0.01 -1.24 -4.99 113.70 109.68 2k78 s SER 92 Ca -0.06 0.13 -0.18 0.00 1.31 0.00 0.00 55.95 57.15 2k78 s SER 92 Cb 0.08 1.68 0.09 0.00 0.21 0.00 0.00 66.02 68.08 2k78 s SER 92 CO 0.83 -0.20 0.62 -0.75 0.41 0.00 0.00 173.24 174.15 2k78 s LYS 93 N 2.89 3.06 -0.74 12.44 2.20 -1.26 -2.15 119.74 136.18 2k78 s LYS 93 Ca 0.18 -1.21 -0.17 0.00 -0.36 0.00 0.00 55.97 54.42 2k78 s LYS 93 Cb -0.06 -4.19 0.16 0.00 -1.51 0.00 0.00 37.83 32.22 2k78 s LYS 93 CO -0.24 -1.34 0.78 1.21 -0.36 0.00 0.00 175.35 175.40 2k78 s ASN 94 N 3.16 6.49 0.31 1.43 2.47 -1.00 -4.85 114.94 122.95 2k78 s ASN 94 Ca 0.11 -2.08 0.25 0.00 0.42 0.00 0.00 52.86 51.55 2k78 s ASN 94 Cb -0.23 -2.27 0.56 0.00 -1.45 0.00 0.00 41.25 37.86 2k78 s ASN 94 CO 0.08 -0.86 1.67 0.71 -3.72 0.00 0.00 177.10 174.98 2k78 h THR 95 N 5.47 0.00 0.00 -5.21 1.35 -1.95 0.76 112.91 113.32 2k78 h THR 95 Ca -0.06 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 2k78 h THR 95 Cb 1.06 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 2k78 h THR 95 CO 0.96 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.23 2k78 h ALA 96 N 2.27 1.00 0.00 6.62 0.00 -1.94 -2.85 119.26 124.35 2k78 h ALA 96 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2k78 h ALA 96 Cb 0.87 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 2k78 h ALA 96 CO 0.00 0.00 -0.54 1.17 0.00 0.00 0.00 179.25 179.88 2k78 n LYS 97 N -3.07 0.24 -3.38 0.00 4.81 -1.21 -5.03 118.16 110.52 2k78 n LYS 97 Ca -0.02 -1.51 -0.13 0.00 -0.87 0.00 0.00 58.31 55.78 2k78 n LYS 97 Cb 0.13 -0.58 0.01 0.00 0.02 0.00 0.00 35.03 34.60 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 -0.14 -6.51 -3.47 3.14 8.00 -1.08 -4.89 116.55 111.60 2k78 n ASP 98 Ca 0.04 -0.51 -0.14 0.00 0.71 0.00 0.00 54.79 54.89 2k78 n ASP 98 Cb 0.78 -3.95 -0.05 0.00 -0.02 0.00 0.00 41.12 37.88 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 -4.09 1.78 -0.18 -1.24 2.02 0.24 -2.83 118.70 114.41 2k78 s GLU 99 Ca 0.10 -1.67 -0.35 0.00 0.02 0.00 0.00 54.97 53.07 2k78 s GLU 99 Cb -0.03 0.43 0.14 0.00 0.10 0.00 0.00 34.13 34.77 2k78 s GLU 99 CO 0.81 -0.73 1.25 0.50 0.02 0.00 0.00 175.26 177.11 2k78 s ARG 100 N -3.33 0.27 0.03 1.61 3.52 -0.73 -2.38 118.95 117.95 2k78 s ARG 100 Ca 0.30 -0.11 -0.04 0.00 -0.13 0.00 0.00 55.73 55.76 2k78 s ARG 100 Cb 0.00 0.12 -0.02 0.00 -1.56 0.00 0.00 34.95 33.50 2k78 s ARG 100 CO 0.18 -0.12 0.05 0.99 -0.81 0.00 0.00 175.30 175.58 2k78 s THR 101 N -2.36 0.14 -0.06 4.11 2.01 -0.91 0.17 115.64 118.73 2k78 s THR 101 Ca 0.10 -1.15 -0.08 0.00 0.31 0.00 0.00 61.69 60.88 2k78 s THR 101 Cb -0.00 -0.83 0.02 0.00 0.01 0.00 0.00 72.50 71.70 2k78 s THR 101 CO -0.04 -0.63 0.21 -0.94 -0.69 0.00 0.00 174.62 172.52 2k78 s SER 102 N -2.06 -0.18 0.12 3.53 1.04 -0.84 -2.37 113.70 112.94 2k78 s SER 102 Ca -0.06 0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.58 2k78 s SER 102 Cb -0.02 0.39 -0.06 0.00 0.10 0.00 0.00 66.02 66.43 2k78 s SER 102 CO -0.04 -0.14 0.46 -0.70 0.98 0.00 0.00 173.24 173.80 2k78 s GLU 103 N -0.19 3.81 -0.01 4.02 2.12 -1.20 -1.25 118.70 126.01 2k78 s GLU 103 Ca -0.03 0.25 0.04 0.00 0.36 0.00 0.00 54.97 55.60 2k78 s GLU 103 Cb -0.03 -2.92 -0.01 0.00 0.26 0.00 0.00 34.13 31.44 2k78 s GLU 103 CO 0.01 0.50 -0.14 -0.06 -0.54 0.00 0.00 175.26 175.02 2k78 s PHE 104 N -1.50 1.26 -0.23 5.30 0.08 -0.24 -3.86 117.98 118.80 2k78 s PHE 104 Ca 0.37 -0.25 -0.07 0.00 0.12 0.00 0.00 56.93 57.10 2k78 s PHE 104 Cb -0.14 -0.82 -0.03 0.00 -0.57 0.00 0.00 43.02 41.46 2k78 s PHE 104 CO 0.19 -0.03 0.07 -2.00 -0.10 0.00 0.00 175.22 173.35 2k78 s GLU 105 N -0.28 3.71 -0.03 0.44 2.12 -1.26 -2.06 118.70 121.34 2k78 s GLU 105 Ca 0.04 -0.45 -0.13 0.00 0.36 0.00 0.00 54.97 54.79 2k78 s GLU 105 Cb -0.06 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 31.06 2k78 s GLU 105 CO -0.00 -0.10 0.30 0.14 -0.54 0.00 0.00 175.26 175.06 2k78 s VAL 106 N 1.36 0.05 -0.36 3.70 -7.23 -1.23 -4.85 120.40 111.84 2k78 s VAL 106 Ca 0.05 -0.40 -0.28 0.00 -1.81 0.00 0.00 61.98 59.55 2k78 s VAL 106 Cb -0.15 -0.56 -0.04 0.00 0.56 0.00 0.00 36.38 36.19 2k78 s VAL 106 CO 0.03 -0.22 2.08 -0.44 -0.31 0.00 0.00 175.10 176.25 2k78 s SER 107 N -1.02 5.35 0.26 4.85 0.01 -1.26 -4.60 113.70 117.28 2k78 s SER 107 Ca -0.11 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.49 2k78 s SER 107 Cb -0.05 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2k78 s SER 107 CO 0.03 -2.13 0.00 0.29 0.41 0.00 0.00 173.24 171.84 2k78 n LYS 108 N 8.76 -1.19 -3.13 12.44 4.76 -1.26 -4.79 118.16 133.75 2k78 n LYS 108 Ca 0.28 0.79 -0.15 0.00 -2.87 0.00 0.00 58.31 56.36 2k78 n LYS 108 Cb 0.48 -1.46 -0.05 0.00 -1.84 0.00 0.00 35.03 32.17 2k78 n LYS 108 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 2k78 s LEU 109 N 0.00 -0.15 -0.44 -0.35 0.05 -1.26 -5.05 118.68 111.48 2k78 s LEU 109 Ca 0.00 -2.15 0.05 0.00 0.05 0.00 0.00 54.13 52.08 2k78 s LEU 109 Cb 0.00 0.80 0.17 0.00 -2.05 0.00 0.00 46.19 45.11 2k78 s LEU 109 CO 0.00 -0.14 0.44 0.21 -0.55 0.00 0.00 176.35 176.31 2k78 s ASN 110 N 0.73 0.69 0.00 1.48 3.84 -1.21 -0.50 114.94 119.98 2k78 s ASN 110 Ca 0.28 -2.70 0.00 0.00 0.21 0.00 0.00 52.86 50.65 2k78 s ASN 110 Cb -0.02 0.17 0.00 0.00 -0.55 0.00 0.00 41.25 40.86 2k78 s ASN 110 CO -0.10 -0.14 0.00 0.61 -2.79 0.00 0.00 177.10 174.68 2k78 n GLY 111 N 2.91 -0.01 3.42 1.21 0.00 0.43 -4.96 105.19 108.18 2k78 n GLY 111 Ca 0.26 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 2k78 n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k78 s LYS 112 N 0.00 1.02 0.06 1.61 0.00 -1.26 -1.44 119.74 119.72 2k78 s LYS 112 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 55.97 55.93 2k78 s LYS 112 Cb 0.00 0.47 -0.03 0.00 0.00 0.00 0.00 37.83 38.27 2k78 s LYS 112 CO 0.00 -0.35 -0.10 0.42 0.00 0.00 0.00 175.35 175.32 2k78 s ILE 113 N -1.97 0.75 -0.12 3.79 1.01 0.94 -4.90 121.20 120.69 2k78 s ILE 113 Ca -0.08 -1.22 -0.30 0.00 0.00 0.00 0.00 60.65 59.05 2k78 s ILE 113 Cb -0.01 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 2k78 s ILE 113 CO 0.02 -0.37 1.18 -1.81 0.00 0.00 0.00 174.94 173.97 2k78 s ASP 114 N -1.75 7.04 0.42 3.58 1.01 -1.26 -1.70 116.67 124.01 2k78 s ASP 114 Ca -0.06 1.70 0.04 0.00 0.71 0.00 0.00 52.55 54.94 2k78 s ASP 114 Cb -0.09 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 2k78 s ASP 114 CO 0.01 -0.64 0.11 -0.83 0.21 0.00 0.00 175.17 174.04 2k78 s GLY 115 N 1.57 2.64 0.24 0.21 0.00 -1.14 -2.11 107.32 108.73 2k78 s GLY 115 Ca 0.53 -1.18 -0.03 0.00 0.00 0.00 0.00 44.72 44.04 2k78 s GLY 115 CO 0.17 -1.87 0.26 0.54 0.00 0.00 0.00 173.10 172.20 2k78 s LYS 116 N -3.73 1.41 -0.25 2.90 1.02 0.21 -3.12 119.74 118.17 2k78 s LYS 116 Ca 0.22 -1.60 -0.22 0.00 0.02 0.00 0.00 55.97 54.40 2k78 s LYS 116 Cb 0.03 0.34 0.06 0.00 -0.52 0.00 0.00 37.83 37.74 2k78 s LYS 116 CO 0.13 -0.51 0.65 -1.50 -0.92 0.00 0.00 175.35 173.20 2k78 s ILE 117 N -3.95 -0.00 0.22 2.17 -1.16 -0.09 0.17 121.20 118.57 2k78 s ILE 117 Ca 0.35 0.00 0.07 0.00 -0.51 0.00 0.00 60.65 60.56 2k78 s ILE 117 Cb 0.04 -0.91 -0.04 0.00 0.61 0.00 0.00 42.46 42.16 2k78 s ILE 117 CO 0.14 0.00 0.11 -0.62 -2.81 0.00 0.00 174.94 171.76 2k78 s ASP 118 N 0.49 5.22 0.02 4.50 2.15 -1.09 -0.40 116.67 127.56 2k78 s ASP 118 Ca -0.01 -0.32 -0.08 0.00 0.43 0.00 0.00 52.55 52.57 2k78 s ASP 118 Cb -0.05 -1.24 0.00 0.00 -0.30 0.00 0.00 42.92 41.33 2k78 s ASP 118 CO -0.01 0.01 0.15 0.68 -0.17 0.00 0.00 175.17 175.83 2k78 s VAL 119 N -2.02 0.10 -0.26 1.11 -7.23 -0.90 -1.15 120.40 110.04 2k78 s VAL 119 Ca 0.31 -0.85 -0.01 0.00 -1.81 0.00 0.00 61.98 59.62 2k78 s VAL 119 Cb -0.08 -0.71 0.15 0.00 0.56 0.00 0.00 36.38 36.30 2k78 s VAL 119 CO 0.23 -0.47 0.41 -0.47 -0.31 0.00 0.00 175.10 174.49 2k78 s TYR 120 N -2.06 -0.96 0.12 2.82 5.04 -1.18 -2.77 117.35 118.36 2k78 s TYR 120 Ca -0.09 0.79 0.07 0.00 -2.44 0.00 0.00 57.07 55.40 2k78 s TYR 120 Cb -0.04 0.03 -0.04 0.00 0.35 0.00 0.00 41.96 42.27 2k78 s TYR 120 CO -0.02 -0.81 -0.16 0.42 -1.34 0.00 0.00 175.55 173.65 2k78 s ILE 121 N 2.58 1.49 -0.33 3.14 1.01 0.39 -4.68 121.20 124.81 2k78 s ILE 121 Ca 0.13 -1.68 0.06 0.00 0.00 0.00 0.00 60.65 59.16 2k78 s ILE 121 Cb -0.15 -1.55 0.19 0.00 0.01 0.00 0.00 42.46 40.97 2k78 s ILE 121 CO -0.20 -0.30 0.59 1.51 0.00 0.00 0.00 174.94 176.54 2k78 s ASP 122 N -2.31 -1.50 0.00 3.58 1.47 -1.26 -0.49 116.67 116.16 2k78 s ASP 122 Ca 0.09 -0.14 0.00 0.00 1.18 0.00 0.00 52.55 53.68 2k78 s ASP 122 Cb -0.07 1.97 0.00 0.00 -0.34 0.00 0.00 42.92 44.48 2k78 s ASP 122 CO 0.04 -0.26 0.00 -1.84 0.68 0.00 0.00 175.17 173.79 2k78 n GLU 123 N 5.11 0.00 -3.83 2.11 0.28 -1.03 -5.02 120.64 118.26 2k78 n GLU 123 Ca 0.07 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.82 2k78 n GLU 123 Cb 0.55 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 33.24 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 2.13 1.03 -0.97 3.44 1.02 -1.26 -1.04 119.74 124.10 2k78 s LYS 124 Ca 0.00 -0.10 -0.24 0.00 0.02 0.00 0.00 55.97 55.66 2k78 s LYS 124 Cb 0.00 -1.33 0.02 0.00 -0.52 0.00 0.00 37.83 36.00 2k78 s LYS 124 CO 0.00 -0.31 1.60 0.08 -0.92 0.00 0.00 175.35 175.80 2k78 s VAL 125 N 1.84 3.76 -1.48 3.17 1.01 0.18 -4.12 120.40 124.76 2k78 s VAL 125 Ca 0.05 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 2k78 s VAL 125 Cb -0.13 -4.72 0.05 0.00 0.00 0.00 0.00 36.38 31.58 2k78 s VAL 125 CO -0.07 -1.62 0.64 -3.20 0.00 0.00 0.00 175.10 170.85 2k78 n ASN 126 N 10.49 -1.87 -0.04 3.32 4.05 -1.26 -2.74 115.26 127.20 2k78 n ASN 126 Ca 0.34 -0.94 0.00 0.00 0.45 0.00 0.00 54.58 54.42 2k78 n ASN 126 Cb 0.50 -3.27 0.00 0.00 1.23 0.00 0.00 39.78 38.24 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 -1.74 1.29 2.65 8.20 0.00 -1.26 -5.07 105.19 109.26 2k78 n GLY 127 Ca -0.16 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.97 0.68 0.09 1.61 1.02 -1.11 -5.11 119.74 115.95 2k78 s LYS 128 Ca 0.00 -1.15 -0.31 0.00 0.02 0.00 0.00 55.97 54.53 2k78 s LYS 128 Cb 0.00 -0.91 -0.09 0.00 -0.52 0.00 0.00 37.83 36.31 2k78 s LYS 128 CO 0.00 -1.23 1.76 -1.25 -0.92 0.00 0.00 175.35 173.71 2k78 s PRO 129 N 1.13 4.16 0.15 -1.68 0.04 -1.26 -0.65 135.00 136.90 2k78 s PRO 129 Ca 0.20 2.47 -0.16 0.00 0.04 0.00 0.00 61.00 63.55 2k78 s PRO 129 Cb -0.14 -3.66 0.03 0.00 0.04 0.00 0.00 34.50 30.77 2k78 s PRO 129 CO -0.04 -0.81 0.44 -0.59 0.04 0.00 0.00 177.00 176.05 2k78 s PHE 130 N 2.91 -0.15 -0.23 0.56 -0.71 -0.20 -4.96 117.98 115.19 2k78 s PHE 130 Ca 0.78 -0.17 -0.03 0.00 -1.04 0.00 0.00 56.93 56.48 2k78 s PHE 130 Cb -0.43 0.30 0.08 0.00 -1.21 0.00 0.00 43.02 41.76 2k78 s PHE 130 CO 0.35 -0.78 0.07 0.15 -1.34 0.00 0.00 175.22 173.67 2k78 s LYS 131 N -3.83 0.53 -0.10 1.99 1.02 -1.26 -2.45 119.74 115.64 2k78 s LYS 131 Ca 0.06 -0.55 -0.18 0.00 0.02 0.00 0.00 55.97 55.32 2k78 s LYS 131 Cb 0.01 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.37 2k78 s LYS 131 CO -0.08 -0.78 0.48 -0.47 -0.92 0.00 0.00 175.35 173.57 2k78 s TYR 132 N 1.87 3.54 -0.38 3.18 5.04 0.35 -4.88 117.35 126.08 2k78 s TYR 132 Ca 0.03 0.92 0.01 0.00 -2.44 0.00 0.00 57.07 55.59 2k78 s TYR 132 Cb -0.17 -2.53 0.18 0.00 0.35 0.00 0.00 41.96 39.80 2k78 s TYR 132 CO -0.17 0.23 0.81 0.16 -1.34 0.00 0.00 175.55 175.24 2k78 s ASP 133 N 0.40 -1.02 0.27 4.32 1.47 -1.25 0.15 116.67 121.00 2k78 s ASP 133 Ca 0.26 -0.54 -0.06 0.00 1.18 0.00 0.00 52.55 53.39 2k78 s ASP 133 Cb -0.15 1.31 0.02 0.00 -0.34 0.00 0.00 42.92 43.76 2k78 s ASP 133 CO 0.11 -0.11 0.46 1.41 0.68 0.00 0.00 175.17 177.72 2k78 n HIS 134 N 4.06 -1.57 -3.91 2.11 8.25 -1.12 -5.00 115.22 118.04 2k78 n HIS 134 Ca 0.09 -1.53 -0.32 0.00 -0.26 0.00 0.00 57.72 55.70 2k78 n HIS 134 Cb 0.60 0.53 -0.13 0.00 1.12 0.00 0.00 29.99 32.11 2k78 n HIS 134 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k78 s HIS 135 N -3.79 3.38 0.84 4.41 3.76 -1.26 -2.12 115.29 120.51 2k78 s HIS 135 Ca 0.16 -3.01 -0.09 0.00 -0.15 0.00 0.00 55.06 51.98 2k78 s HIS 135 Cb -0.02 -2.94 0.18 0.00 1.11 0.00 0.00 32.58 30.91 2k78 s HIS 135 CO 0.12 -0.82 1.14 0.66 -0.85 0.00 0.00 174.74 174.99 2k78 n TYR 136 N 3.53 -3.53 -3.77 1.40 4.02 0.46 -4.88 117.16 114.40 2k78 n TYR 136 Ca 0.05 -1.39 -0.10 0.00 -0.01 0.00 0.00 57.90 56.45 2k78 n TYR 136 Cb 0.36 -0.86 -0.06 0.00 -0.02 0.00 0.00 39.34 38.76 2k78 n TYR 136 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2k78 s ASN 137 N -5.36 -0.09 0.18 7.72 2.20 -1.26 -0.91 114.94 117.42 2k78 s ASN 137 Ca 0.69 -0.54 -0.19 0.00 -0.94 0.00 0.00 52.86 51.88 2k78 s ASN 137 Cb -0.03 0.45 0.04 0.00 -2.00 0.00 0.00 41.25 39.71 2k78 s ASN 137 CO 0.47 -0.86 0.54 0.27 -2.94 0.00 0.00 177.10 174.58 2k78 s ILE 138 N -3.86 0.02 -0.24 0.54 -4.36 -1.18 -4.52 121.20 107.60 2k78 s ILE 138 Ca 0.07 -0.58 -0.18 0.00 -0.26 0.00 0.00 60.65 59.70 2k78 s ILE 138 Cb 0.02 -1.42 -0.03 0.00 1.25 0.00 0.00 42.46 42.29 2k78 s ILE 138 CO -0.08 -0.11 0.52 -0.89 0.24 0.00 0.00 174.94 174.63 2k78 s THR 139 N -3.84 5.08 0.02 8.37 2.01 -0.78 -2.89 115.64 123.61 2k78 s THR 139 Ca 0.06 0.92 -0.19 0.00 0.31 0.00 0.00 61.69 62.79 2k78 s THR 139 Cb -0.01 -3.84 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 2k78 s THR 139 CO -0.06 0.12 0.55 -0.31 -0.69 0.00 0.00 174.62 174.23 2k78 s TYR 140 N 2.06 3.73 -0.35 4.92 1.51 -0.69 -1.11 117.35 127.42 2k78 s TYR 140 Ca 0.22 1.18 0.02 0.00 -1.01 0.00 0.00 57.07 57.49 2k78 s TYR 140 Cb -0.16 -2.52 0.10 0.00 -0.11 0.00 0.00 41.96 39.27 2k78 s TYR 140 CO 0.09 0.47 0.08 0.15 -1.11 0.00 0.00 175.55 175.23 2k78 s LYS 141 N -0.61 1.71 -0.12 -0.62 -0.14 0.33 -0.04 119.74 120.24 2k78 s LYS 141 Ca 0.29 -1.80 -0.17 0.00 -1.36 0.00 0.00 55.97 52.93 2k78 s LYS 141 Cb -0.18 -3.28 -0.04 0.00 -1.68 0.00 0.00 37.83 32.64 2k78 s LYS 141 CO 0.17 -0.93 0.44 -0.06 -0.76 0.00 0.00 175.35 174.21 2k78 s PHE 142 N 0.99 3.51 -0.28 3.18 0.40 -0.52 -0.49 117.98 124.77 2k78 s PHE 142 Ca 0.08 0.84 -0.00 0.00 -0.60 0.00 0.00 56.93 57.25 2k78 s PHE 142 Cb -0.20 -2.51 0.08 0.00 0.51 0.00 0.00 43.02 40.90 2k78 s PHE 142 CO -0.07 0.19 0.05 -0.80 0.70 0.00 0.00 175.22 175.30 2k78 s ASN 143 N 0.55 3.90 0.00 1.36 0.01 0.43 0.16 114.94 121.34 2k78 s ASN 143 Ca 0.24 -1.47 0.00 0.00 -0.71 0.00 0.00 52.86 50.93 2k78 s ASN 143 Cb -0.15 -0.98 0.00 0.00 0.41 0.00 0.00 41.25 40.53 2k78 s ASN 143 CO 0.09 -0.35 0.00 0.61 -1.51 0.00 0.00 177.10 175.94 2k78 n GLY 144 N 4.77 4.21 0.75 0.66 0.00 0.35 -2.66 105.19 113.28 2k78 n GLY 144 Ca -0.05 -0.65 -0.07 0.00 0.00 0.00 0.00 46.02 45.25 2k78 n GLY 144 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k78 n PRO 145 N 0.00 -2.35 0.04 1.61 -0.04 -1.26 -4.73 135.00 128.26 2k78 n PRO 145 Ca 0.00 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 2k78 n PRO 145 Cb 0.00 -0.44 0.00 0.00 -0.04 0.00 0.00 33.50 33.02 2k78 n PRO 145 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k78 n THR 146 N -3.58 0.00 0.01 0.52 -2.24 -1.26 -4.32 114.28 103.42 2k78 n THR 146 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2k78 n THR 146 Cb 0.13 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 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 -2.69 0.05 -2.74 3.42 8.00 -1.26 -4.97 116.55 116.35 2k78 n ASP 147 Ca 0.00 0.04 -0.20 0.00 0.71 0.00 0.00 54.79 55.34 2k78 n ASP 147 Cb 0.00 0.01 0.01 0.00 -0.02 0.00 0.00 41.12 41.12 2k78 n ASP 147 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2k78 n VAL 148 N -2.82 -1.25 -2.09 2.53 0.31 -1.26 -4.78 118.33 108.97 2k78 n VAL 148 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 2k78 n VAL 148 Cb 0.19 -2.75 -0.05 0.00 -0.91 0.00 0.00 33.84 30.33 2k78 n VAL 148 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k78 n ALA 149 N -2.77 3.59 0.00 3.52 0.00 -1.26 -5.28 120.51 118.32 2k78 n ALA 149 Ca -0.15 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.43 2k78 n ALA 149 Cb 0.63 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.68 2k78 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91