#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 0.92 -1.72 -1.46 0.00 -1.26 -4.75 121.76 113.49 2k78 s ALA 26 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2k78 s ALA 26 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.93 2k78 s ALA 26 CO 0.00 0.20 0.00 -1.71 0.00 0.00 0.00 175.76 174.25 2k78 n ASN 27 N 2.49 -5.48 -4.63 0.00 2.85 -1.26 -4.90 115.26 104.33 2k78 n ASN 27 Ca -0.15 0.08 -0.43 0.00 -0.11 0.00 0.00 54.58 53.97 2k78 n ASN 27 Cb 0.56 -4.55 -0.02 0.00 1.24 0.00 0.00 39.78 37.01 2k78 n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k78 s ALA 28 N -2.91 3.27 0.00 5.20 0.00 -1.26 -4.91 121.76 121.15 2k78 s ALA 28 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2k78 s ALA 28 Cb 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2k78 s ALA 28 CO 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 175.76 173.81 2k78 n ALA 29 N 8.19 0.00 -1.78 0.00 0.00 -1.26 -4.95 120.51 120.70 2k78 n ALA 29 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.44 2k78 n ALA 29 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.40 -4.51 -3.54 0.00 8.00 -1.26 -4.90 116.55 109.94 2k78 n ASP 30 Ca 0.00 0.31 -0.17 0.00 0.71 0.00 0.00 54.79 55.64 2k78 n ASP 30 Cb 0.00 -3.98 -0.06 0.00 -0.02 0.00 0.00 41.12 37.06 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 -2.28 -0.65 0.00 -2.24 0.15 -1.26 -0.49 113.70 106.93 2k78 s SER 31 Ca 0.00 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.46 2k78 s SER 31 Cb 0.00 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 2k78 s SER 31 CO 0.00 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.53 2k78 n GLY 32 N 1.20 0.32 3.51 9.45 0.00 -0.53 -4.97 105.19 114.17 2k78 n GLY 32 Ca -0.17 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 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 4.53 0.28 2.61 -4.23 -1.26 0.14 115.64 115.70 2k78 s THR 33 Ca 0.00 0.17 -0.02 0.00 -1.18 0.00 0.00 61.69 60.66 2k78 s THR 33 Cb 0.00 -4.45 -0.04 0.00 1.34 0.00 0.00 72.50 69.35 2k78 s THR 33 CO 0.00 -0.98 0.50 -0.22 -0.54 0.00 0.00 174.62 173.38 2k78 s LEU 34 N 3.57 4.10 0.32 4.79 2.96 -0.61 -4.89 118.68 128.93 2k78 s LEU 34 Ca 0.28 0.53 -0.26 0.00 -0.22 0.00 0.00 54.13 54.45 2k78 s LEU 34 Cb -0.14 -3.34 -0.10 0.00 0.50 0.00 0.00 46.19 43.11 2k78 s LEU 34 CO 0.19 -0.17 0.95 0.20 -1.32 0.00 0.00 176.35 176.20 2k78 s ASN 35 N -3.42 7.34 0.01 3.68 -0.87 -1.05 -2.53 114.94 118.10 2k78 s ASN 35 Ca 0.41 1.87 -0.28 0.00 -1.57 0.00 0.00 52.86 53.29 2k78 s ASN 35 Cb -0.10 -2.58 0.10 0.00 -0.02 0.00 0.00 41.25 38.64 2k78 s ASN 35 CO 0.31 -0.07 0.84 -0.72 -2.57 0.00 0.00 177.10 174.90 2k78 s TYR 36 N -1.56 -0.39 0.20 2.20 1.13 -1.26 0.16 117.35 117.83 2k78 s TYR 36 Ca 0.49 0.28 -0.05 0.00 -1.41 0.00 0.00 57.07 56.39 2k78 s TYR 36 Cb -0.20 0.53 0.02 0.00 -1.10 0.00 0.00 41.96 41.21 2k78 s TYR 36 CO 0.25 -0.58 0.35 -1.91 -2.51 0.00 0.00 175.55 171.15 2k78 n GLU 37 N -0.17 0.50 -4.21 -3.49 2.13 0.32 -4.84 120.64 110.89 2k78 n GLU 37 Ca -0.10 -1.30 -0.15 0.00 0.66 0.00 0.00 57.16 56.26 2k78 n GLU 37 Cb 0.62 1.44 -0.08 0.00 0.27 0.00 0.00 31.44 33.69 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 -2.58 0.00 0.05 6.31 -7.23 -1.26 0.76 120.40 116.45 2k78 s VAL 38 Ca 0.11 -1.93 -0.11 0.00 -1.81 0.00 0.00 61.98 58.24 2k78 s VAL 38 Cb -0.02 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.44 2k78 s VAL 38 CO 0.08 0.00 0.24 -0.31 -0.31 0.00 0.00 175.10 174.80 2k78 s TYR 39 N -3.76 0.01 0.09 2.82 2.02 0.20 -4.07 117.35 114.66 2k78 s TYR 39 Ca 0.38 -0.24 -0.31 0.00 -0.37 0.00 0.00 57.07 56.53 2k78 s TYR 39 Cb 0.04 0.02 -0.08 0.00 -0.40 0.00 0.00 41.96 41.54 2k78 s TYR 39 CO 0.19 -0.49 1.48 0.21 -1.57 0.00 0.00 175.55 175.37 2k78 s LYS 40 N -2.86 4.27 0.55 -0.62 2.47 -0.03 -1.67 119.74 121.84 2k78 s LYS 40 Ca -0.03 2.16 -0.20 0.00 -1.56 0.00 0.00 55.97 56.34 2k78 s LYS 40 Cb 0.00 -3.38 -0.07 0.00 -1.46 0.00 0.00 37.83 32.93 2k78 s LYS 40 CO -0.05 -0.56 0.97 0.98 0.16 0.00 0.00 175.35 176.84 2k78 n TYR 41 N 4.62 0.89 -0.83 4.03 9.36 -1.26 -1.13 117.16 132.84 2k78 n TYR 41 Ca 0.13 0.46 0.00 0.00 3.32 0.00 0.00 57.90 61.82 2k78 n TYR 41 Cb 0.42 -2.16 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 0.09 0.22 0.00 0.00 176.86 177.17 2k78 n ASN 42 N -0.36 -1.05 -0.27 2.98 3.02 -1.26 -4.93 115.26 113.40 2k78 n ASN 42 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 2k78 n ASN 42 Cb 0.45 -1.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.34 2k78 n ASN 42 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2k78 n THR 43 N -2.13 0.00 -0.82 3.41 -2.24 -0.28 -5.07 114.28 107.14 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 0.05 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.29 2k78 n THR 43 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2k78 n ASN 44 N -0.59 0.77 -3.99 3.42 3.02 -1.26 -4.75 115.26 111.88 2k78 n ASN 44 Ca 0.00 -1.57 -0.14 0.00 -0.03 0.00 0.00 54.58 52.84 2k78 n ASN 44 Cb 0.00 -0.05 -0.13 0.00 -0.61 0.00 0.00 39.78 38.98 2k78 n ASN 44 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2k78 s ASP 45 N -0.63 0.62 0.15 6.41 -1.08 -1.26 -4.87 116.67 116.01 2k78 s ASP 45 Ca 0.02 -0.25 -0.31 0.00 -0.52 0.00 0.00 52.55 51.49 2k78 s ASP 45 Cb 0.02 -0.02 -0.08 0.00 -1.46 0.00 0.00 42.92 41.38 2k78 s ASP 45 CO 0.00 -0.05 1.39 -0.89 0.52 0.00 0.00 175.17 176.14 2k78 s THR 46 N -0.59 3.18 0.00 1.71 2.01 -1.26 -0.85 115.64 119.84 2k78 s THR 46 Ca -0.03 0.89 0.00 0.00 0.31 0.00 0.00 61.69 62.86 2k78 s THR 46 Cb -0.05 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.89 2k78 s THR 46 CO -0.00 0.09 0.00 -0.24 -0.69 0.00 0.00 174.62 173.78 2k78 n SER 47 N 3.50 2.02 0.00 3.53 2.88 -1.26 -4.79 113.62 119.49 2k78 n SER 47 Ca 0.10 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2k78 n SER 47 Cb 0.42 0.54 0.00 0.00 -0.75 0.00 0.00 64.21 64.42 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 -0.74 0.00 0.04 2.46 -0.00 -1.26 -4.84 119.36 115.03 2k78 n ILE 48 Ca 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 62.75 62.96 2k78 n ILE 48 Cb 0.00 -0.13 0.64 0.00 -0.00 0.00 0.00 39.64 40.15 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 2.26 0.00 -1.39 0.00 -1.95 0.29 119.26 118.46 2k78 h ALA 49 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k78 h ALA 49 Cb 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2k78 h ALA 49 CO 0.00 -0.94 -0.01 -2.95 0.00 0.00 0.00 179.25 175.35 2k78 h ASN 50 N 0.00 0.00 -0.50 0.00 7.08 -1.90 -0.97 115.58 119.29 2k78 h ASN 50 Ca 0.25 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.47 2k78 h ASN 50 Cb 1.59 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.83 2k78 h ASN 50 CO -0.00 0.01 0.00 0.47 -2.08 0.00 0.00 177.43 175.82 2k78 n ASP 51 N -3.17 3.59 0.00 6.14 8.00 0.10 -4.09 116.55 127.12 2k78 n ASP 51 Ca -0.02 -2.28 0.00 0.00 0.71 0.00 0.00 54.79 53.19 2k78 n ASP 51 Cb 0.11 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 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 0.84 0.00 -4.02 1.24 4.01 -0.39 -5.04 117.16 113.81 2k78 n TYR 52 Ca 0.19 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.60 2k78 n TYR 52 Cb 0.67 0.01 -0.15 0.00 -0.31 0.00 0.00 39.34 39.56 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 3.24 0.63 -0.72 0.40 -1.08 -2.92 117.98 117.53 2k78 s PHE 53 Ca 0.00 -2.12 -0.15 0.00 -0.60 0.00 0.00 56.93 54.06 2k78 s PHE 53 Cb 0.00 -1.99 -0.02 0.00 0.51 0.00 0.00 43.02 41.52 2k78 s PHE 53 CO 0.00 -0.85 1.07 1.21 0.70 0.00 0.00 175.22 177.36 2k78 s ASN 54 N 1.17 5.47 0.14 1.36 3.84 -1.23 -4.99 114.94 120.70 2k78 s ASN 54 Ca -0.07 1.85 -0.09 0.00 0.21 0.00 0.00 52.86 54.76 2k78 s ASN 54 Cb -0.19 -2.53 -0.00 0.00 -0.55 0.00 0.00 41.25 37.97 2k78 s ASN 54 CO -0.04 -1.38 0.25 -1.59 -2.79 0.00 0.00 177.10 171.55 2k78 s LYS 55 N -4.23 1.05 0.56 0.43 -2.85 -1.26 -4.61 119.74 108.82 2k78 s LYS 55 Ca 0.64 -1.09 -0.10 0.00 -1.00 0.00 0.00 55.97 54.43 2k78 s LYS 55 Cb -0.17 0.37 0.13 0.00 -2.06 0.00 0.00 37.83 36.10 2k78 s LYS 55 CO 0.41 -0.37 0.68 -0.35 0.10 0.00 0.00 175.35 175.83 2k78 n PRO 56 N -0.16 -1.07 -1.47 1.78 -0.04 -1.26 -5.16 135.00 127.61 2k78 n PRO 56 Ca -0.10 -1.07 -0.04 0.00 -0.04 0.00 0.00 63.50 62.25 2k78 n PRO 56 Cb 0.63 -0.77 0.01 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 n ALA 57 N -3.60 0.25 -3.99 0.55 0.00 -1.05 -4.94 120.51 107.72 2k78 n ALA 57 Ca -0.11 -0.44 -0.29 0.00 0.00 0.00 0.00 53.44 52.59 2k78 n ALA 57 Cb 0.31 0.13 -0.16 0.00 0.00 0.00 0.00 19.45 19.72 2k78 n ALA 57 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k78 s LYS 58 N -2.54 2.10 0.40 0.00 -0.14 -1.18 -1.57 119.74 116.82 2k78 s LYS 58 Ca 0.12 -0.54 0.04 0.00 -1.36 0.00 0.00 55.97 54.23 2k78 s LYS 58 Cb -0.01 -2.05 -0.00 0.00 -1.68 0.00 0.00 37.83 34.09 2k78 s LYS 58 CO 0.08 -0.27 0.57 1.52 -0.76 0.00 0.00 175.35 176.48 2k78 s TYR 59 N 1.52 3.11 -0.24 3.18 1.13 0.12 -1.26 117.35 124.92 2k78 s TYR 59 Ca 0.04 -0.06 -0.09 0.00 -1.41 0.00 0.00 57.07 55.55 2k78 s TYR 59 Cb -0.13 -2.19 0.10 0.00 -1.10 0.00 0.00 41.96 38.64 2k78 s TYR 59 CO -0.10 -0.22 0.52 -1.50 -2.51 0.00 0.00 175.55 171.74 2k78 s ILE 60 N -2.36 -0.63 -0.03 -3.49 2.07 -1.12 -1.45 121.20 114.19 2k78 s ILE 60 Ca 0.48 0.08 0.01 0.00 -1.41 0.00 0.00 60.65 59.81 2k78 s ILE 60 Cb -0.10 -0.81 0.02 0.00 0.13 0.00 0.00 42.46 41.70 2k78 s ILE 60 CO 0.34 0.04 -0.02 -0.54 -1.91 0.00 0.00 174.94 172.85 2k78 s LYS 61 N 2.47 0.44 -0.81 3.50 1.02 0.35 0.43 119.74 127.14 2k78 s LYS 61 Ca -0.05 -0.01 0.02 0.00 0.02 0.00 0.00 55.97 55.95 2k78 s LYS 61 Cb -0.11 -0.54 0.32 0.00 -0.52 0.00 0.00 37.83 36.98 2k78 s LYS 61 CO -0.16 -0.08 1.32 1.63 -0.92 0.00 0.00 175.35 177.14 2k78 n LYS 62 N 3.89 4.14 -2.90 1.68 5.02 -0.72 -4.01 118.16 125.26 2k78 n LYS 62 Ca -0.24 -4.74 -0.02 0.00 -2.02 0.00 0.00 58.31 51.29 2k78 n LYS 62 Cb 0.52 -2.36 -0.02 0.00 -0.02 0.00 0.00 35.03 33.15 2k78 n LYS 62 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2k78 n ASN 63 N 0.12 -5.11 0.00 4.39 4.13 -1.26 -4.35 115.26 113.17 2k78 n ASN 63 Ca 0.36 1.06 0.00 0.00 1.68 0.00 0.00 54.58 57.69 2k78 n ASN 63 Cb 0.34 -3.15 0.00 0.00 -1.54 0.00 0.00 39.78 35.43 2k78 n ASN 63 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k78 n GLY 64 N 1.94 0.92 3.57 7.41 0.00 -1.26 -5.06 105.19 112.71 2k78 n GLY 64 Ca -0.14 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.75 0.56 0.02 1.61 -2.85 -1.26 -5.18 119.74 111.89 2k78 s LYS 65 Ca 0.00 0.03 -0.24 0.00 -1.00 0.00 0.00 55.97 54.76 2k78 s LYS 65 Cb 0.00 0.26 0.06 0.00 -2.06 0.00 0.00 37.83 36.09 2k78 s LYS 65 CO 0.00 -0.20 0.55 -0.48 0.10 0.00 0.00 175.35 175.32 2k78 s LEU 66 N -1.43 -0.17 0.00 2.77 -0.00 -1.26 -1.75 118.68 116.84 2k78 s LEU 66 Ca 0.01 0.30 0.00 0.00 -0.00 0.00 0.00 54.13 54.44 2k78 s LEU 66 Cb -0.01 2.19 0.00 0.00 -0.00 0.00 0.00 46.19 48.37 2k78 s LEU 66 CO -0.02 -0.68 0.00 -1.22 -0.00 0.00 0.00 176.35 174.43 2k78 n TYR 67 N 0.56 0.00 -3.66 3.48 4.02 0.17 -4.21 117.16 117.52 2k78 n TYR 67 Ca -0.19 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.68 2k78 n TYR 67 Cb 0.59 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.90 2k78 n TYR 67 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2k78 s VAL 68 N -0.88 0.00 -0.03 -0.72 0.11 -0.79 -2.81 120.40 115.29 2k78 s VAL 68 Ca 0.00 -0.37 -0.01 0.00 -2.93 0.00 0.00 61.98 58.67 2k78 s VAL 68 Cb 0.00 -1.75 0.02 0.00 -1.53 0.00 0.00 36.38 33.12 2k78 s VAL 68 CO 0.00 0.00 0.06 0.00 -3.33 0.00 0.00 175.10 171.83 2k78 s GLN 69 N -2.92 0.03 -0.09 1.54 1.03 -0.39 -0.70 119.66 118.16 2k78 s GLN 69 Ca 0.11 0.17 0.02 0.00 0.04 0.00 0.00 55.36 55.71 2k78 s GLN 69 Cb 0.01 -0.11 -0.02 0.00 0.03 0.00 0.00 33.01 32.92 2k78 s GLN 69 CO -0.02 -0.10 -0.16 -1.50 -2.54 0.00 0.00 175.29 170.97 2k78 s ILE 70 N 0.62 2.82 -0.10 3.63 1.10 -0.85 -3.08 121.20 125.34 2k78 s ILE 70 Ca -0.05 -0.77 -0.20 0.00 -0.51 0.00 0.00 60.65 59.12 2k78 s ILE 70 Cb -0.07 -2.13 -0.04 0.00 0.15 0.00 0.00 42.46 40.37 2k78 s ILE 70 CO -0.02 0.55 0.56 -0.89 -2.11 0.00 0.00 174.94 173.03 2k78 s THR 71 N -0.04 5.13 -0.04 4.00 2.01 -1.26 -2.45 115.64 122.98 2k78 s THR 71 Ca -0.04 1.14 -0.03 0.00 0.31 0.00 0.00 61.69 63.07 2k78 s THR 71 Cb -0.14 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2k78 s THR 71 CO 0.04 0.29 0.12 0.68 -0.69 0.00 0.00 174.62 175.06 2k78 s VAL 72 N 0.74 5.08 -0.11 3.82 -7.23 0.29 -3.52 120.40 119.47 2k78 s VAL 72 Ca 0.30 -0.17 -0.08 0.00 -1.81 0.00 0.00 61.98 60.22 2k78 s VAL 72 Cb -0.16 -3.29 -0.04 0.00 0.56 0.00 0.00 36.38 33.44 2k78 s VAL 72 CO 0.13 0.43 0.17 0.20 -0.31 0.00 0.00 175.10 175.72 2k78 s ASN 73 N -1.54 6.43 -0.14 4.85 0.01 -1.15 -2.83 114.94 120.57 2k78 s ASN 73 Ca 0.21 0.51 -0.09 0.00 -0.71 0.00 0.00 52.86 52.79 2k78 s ASN 73 Cb -0.12 -2.09 0.03 0.00 0.41 0.00 0.00 41.25 39.48 2k78 s ASN 73 CO 0.12 0.38 0.18 1.41 -1.51 0.00 0.00 177.10 177.68 2k78 n HIS 74 N 2.06 -3.26 -0.00 2.20 8.25 -0.92 -4.43 115.22 119.12 2k78 n HIS 74 Ca -0.19 1.88 -0.05 0.00 -0.26 0.00 0.00 57.72 59.10 2k78 n HIS 74 Cb 0.55 -3.13 0.16 0.00 1.12 0.00 0.00 29.99 28.68 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 4.34 0.55 -0.69 0.41 4.64 -1.82 -2.41 113.55 118.58 2k78 h SER 75 Ca -0.40 -0.21 0.06 0.00 -0.47 0.00 0.00 61.79 60.77 2k78 h SER 75 Cb 0.92 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.81 2k78 h SER 75 CO 0.01 0.82 0.45 0.45 -0.87 0.00 0.00 176.83 177.69 2k78 h HIS 76 N 0.47 0.73 0.01 4.77 3.86 -1.90 -2.94 115.15 120.15 2k78 h HIS 76 Ca 0.06 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2k78 h HIS 76 Cb 0.74 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2k78 h HIS 76 CO 0.03 0.40 -0.00 -1.49 0.86 0.00 0.00 177.93 177.72 2k78 h TRP 77 N 0.73 -0.01 -3.45 2.45 4.06 -1.73 -3.38 115.95 114.63 2k78 h TRP 77 Ca 0.29 -0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.63 2k78 h TRP 77 Cb 0.21 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 28.26 2k78 h TRP 77 CO -0.00 0.85 0.18 -1.50 -3.56 0.00 0.00 178.44 174.40 2k78 s ILE 78 N -2.35 4.98 -0.02 1.49 1.10 -0.93 -3.07 121.20 122.40 2k78 s ILE 78 Ca -0.17 1.17 0.01 0.00 -0.51 0.00 0.00 60.65 61.15 2k78 s ILE 78 Cb -0.02 -3.95 -0.26 0.00 0.15 0.00 0.00 42.46 38.38 2k78 s ILE 78 CO 0.62 0.03 0.76 0.00 -2.11 0.00 0.00 174.94 174.25 2k78 h THR 79 N 5.38 1.03 -2.18 4.00 1.03 -1.66 -3.42 112.91 117.08 2k78 h THR 79 Ca -0.27 -2.75 0.31 0.00 -0.01 0.00 0.00 66.41 63.69 2k78 h THR 79 Cb 1.12 2.64 -0.06 0.00 -1.07 0.00 0.00 68.15 70.79 2k78 h THR 79 CO 0.78 0.76 0.83 0.61 -0.01 0.00 0.00 175.52 178.49 2k78 n GLY 80 N 1.67 0.28 3.49 2.99 0.00 -1.16 -4.97 105.19 107.49 2k78 n GLY 80 Ca -0.18 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.02 1.37 -0.08 1.61 -1.94 -1.26 -2.63 119.30 114.35 2k78 s MET 81 Ca 0.28 -1.06 -0.22 0.00 -1.71 0.00 0.00 55.69 52.98 2k78 s MET 81 Cb -0.01 0.47 0.05 0.00 2.01 0.00 0.00 34.83 37.35 2k78 s MET 81 CO 0.00 -0.56 0.52 -1.54 -0.01 0.00 0.00 175.02 173.43 2k78 s SER 82 N -2.94 -0.48 -0.02 3.03 1.04 0.46 -2.83 113.70 111.97 2k78 s SER 82 Ca 0.15 0.61 -0.03 0.00 0.48 0.00 0.00 55.95 57.16 2k78 s SER 82 Cb 0.00 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2k78 s SER 82 CO 0.01 -0.44 0.08 -0.63 0.98 0.00 0.00 173.24 173.24 2k78 s ILE 83 N -0.84 0.03 0.00 -1.02 1.01 -1.10 0.01 121.20 119.29 2k78 s ILE 83 Ca -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.31 2k78 s ILE 83 Cb -0.03 -0.20 0.00 0.00 0.01 0.00 0.00 42.46 42.25 2k78 s ILE 83 CO 0.06 -0.14 0.00 1.21 0.00 0.00 0.00 174.94 176.07 2k78 n GLU 84 N 2.56 0.00 0.00 2.79 2.13 -0.97 -3.02 120.64 124.13 2k78 n GLU 84 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 2k78 n GLU 84 Cb 0.58 -3.24 0.00 0.00 0.27 0.00 0.00 31.44 29.05 2k78 n GLU 84 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k78 n GLY 85 N -2.00 1.27 3.16 8.31 0.00 -1.26 -5.08 105.19 109.59 2k78 n GLY 85 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.87 0.27 1.61 -3.43 -1.17 -5.16 115.29 106.28 2k78 s HIS 86 Ca 0.00 -1.00 -0.04 0.00 -0.80 0.00 0.00 55.06 53.21 2k78 s HIS 86 Cb 0.00 -0.52 0.07 0.00 -1.43 0.00 0.00 32.58 30.70 2k78 s HIS 86 CO 0.00 -0.25 0.25 1.63 -2.00 0.00 0.00 174.74 174.36 2k78 n LYS 87 N -0.05 -1.38 -3.97 -0.38 5.02 -1.26 -2.72 118.16 113.42 2k78 n LYS 87 Ca -0.11 -0.39 -0.22 0.00 -2.02 0.00 0.00 58.31 55.57 2k78 n LYS 87 Cb 0.62 -0.36 -0.05 0.00 -0.02 0.00 0.00 35.03 35.22 2k78 n LYS 87 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2k78 s GLU 88 N -3.56 2.48 -0.08 1.97 -1.05 -1.13 -4.59 118.70 112.74 2k78 s GLU 88 Ca 0.16 -1.50 0.03 0.00 -0.15 0.00 0.00 54.97 53.51 2k78 s GLU 88 Cb -0.01 -2.26 -0.02 0.00 -0.44 0.00 0.00 34.13 31.39 2k78 s GLU 88 CO 0.12 0.06 -0.16 -0.80 0.95 0.00 0.00 175.26 175.43 2k78 s ASN 89 N -3.92 3.85 -0.58 0.83 0.02 -1.25 -4.97 114.94 108.93 2k78 s ASN 89 Ca 0.40 -0.30 -0.27 0.00 -1.02 0.00 0.00 52.86 51.67 2k78 s ASN 89 Cb -0.03 -1.16 -0.03 0.00 0.02 0.00 0.00 41.25 40.05 2k78 s ASN 89 CO 0.24 0.25 1.93 0.27 0.02 0.00 0.00 177.10 179.81 2k78 s ILE 90 N -0.19 3.32 -0.13 0.60 -4.36 -1.26 -3.18 121.20 116.00 2k78 s ILE 90 Ca -0.00 0.20 0.17 0.00 -0.26 0.00 0.00 60.65 60.75 2k78 s ILE 90 Cb -0.13 -3.80 -0.24 0.00 1.25 0.00 0.00 42.46 39.54 2k78 s ILE 90 CO 0.03 -0.76 0.37 0.00 0.24 0.00 0.00 174.94 174.82 2k78 n ILE 91 N 7.33 1.30 -3.10 8.37 3.06 -1.09 -4.88 119.36 130.35 2k78 n ILE 91 Ca 0.23 -0.79 0.03 0.00 -2.50 0.00 0.00 62.75 59.72 2k78 n ILE 91 Cb 0.52 -0.62 -0.00 0.00 0.54 0.00 0.00 39.64 40.08 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 -5.61 -1.10 -0.55 9.51 0.01 -1.24 -4.98 113.70 109.75 2k78 s SER 92 Ca -0.07 -0.13 -0.18 0.00 1.31 0.00 0.00 55.95 56.87 2k78 s SER 92 Cb 0.08 1.57 0.09 0.00 0.21 0.00 0.00 66.02 67.96 2k78 s SER 92 CO 0.83 -0.17 0.64 -0.75 0.41 0.00 0.00 173.24 174.20 2k78 s LYS 93 N 2.50 3.06 -0.69 12.44 2.20 -1.26 -2.04 119.74 135.95 2k78 s LYS 93 Ca 0.17 -1.20 -0.16 0.00 -0.36 0.00 0.00 55.97 54.42 2k78 s LYS 93 Cb -0.04 -4.20 0.15 0.00 -1.51 0.00 0.00 37.83 32.23 2k78 s LYS 93 CO -0.19 -1.37 0.71 1.21 -0.36 0.00 0.00 175.35 175.35 2k78 s ASN 94 N 3.21 6.42 0.09 1.43 3.04 -0.09 -4.88 114.94 124.16 2k78 s ASN 94 Ca 0.12 -2.01 -0.10 0.00 0.04 0.00 0.00 52.86 50.91 2k78 s ASN 94 Cb -0.23 -2.26 -0.21 0.00 -1.54 0.00 0.00 41.25 37.01 2k78 s ASN 94 CO 0.08 -0.86 1.19 0.74 -3.04 0.00 0.00 177.10 175.21 2k78 h THR 95 N 5.54 1.35 -0.72 -5.21 2.02 -1.95 0.33 112.91 114.27 2k78 h THR 95 Ca -0.12 -2.49 -0.03 0.00 0.77 0.00 0.00 66.41 64.54 2k78 h THR 95 Cb 1.07 2.58 -0.03 0.00 -1.74 0.00 0.00 68.15 70.02 2k78 h THR 95 CO 0.97 0.75 0.32 0.00 0.37 0.00 0.00 175.52 177.93 2k78 h ALA 96 N 0.49 1.20 -0.60 6.16 0.00 -1.94 -2.10 119.26 122.48 2k78 h ALA 96 Ca -0.14 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2k78 h ALA 96 Cb 1.77 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2k78 h ALA 96 CO 0.20 0.59 0.00 1.17 0.00 0.00 0.00 179.25 181.22 2k78 n LYS 97 N -4.31 2.50 -3.71 0.00 4.81 -1.23 -4.95 118.16 111.27 2k78 n LYS 97 Ca 0.07 -2.20 -0.27 0.00 -0.87 0.00 0.00 58.31 55.03 2k78 n LYS 97 Cb 0.16 -1.51 0.03 0.00 0.02 0.00 0.00 35.03 33.73 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 1.23 -3.65 -4.06 3.14 9.92 -0.77 -4.89 116.55 117.47 2k78 n ASP 98 Ca 0.20 -0.96 -0.10 0.00 -0.53 0.00 0.00 54.79 53.40 2k78 n ASP 98 Cb 0.54 -3.55 -0.07 0.00 -0.64 0.00 0.00 41.12 37.40 2k78 n ASP 98 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2k78 s GLU 99 N -6.00 1.43 -0.03 -1.24 2.02 0.11 -2.16 118.70 112.83 2k78 s GLU 99 Ca 0.29 -1.37 -0.29 0.00 0.02 0.00 0.00 54.97 53.63 2k78 s GLU 99 Cb -0.10 0.41 0.10 0.00 0.10 0.00 0.00 34.13 34.64 2k78 s GLU 99 CO 0.85 -0.56 0.88 0.50 0.02 0.00 0.00 175.26 176.95 2k78 s ARG 100 N -4.06 0.82 0.05 1.61 3.52 -1.13 -0.91 118.95 118.85 2k78 s ARG 100 Ca 0.27 -0.20 -0.03 0.00 -0.13 0.00 0.00 55.73 55.64 2k78 s ARG 100 Cb 0.02 0.38 -0.03 0.00 -1.56 0.00 0.00 34.95 33.76 2k78 s ARG 100 CO 0.10 -0.34 0.03 0.99 -0.81 0.00 0.00 175.30 175.27 2k78 s THR 101 N -2.69 0.18 -0.05 4.11 2.01 -0.87 0.11 115.64 118.45 2k78 s THR 101 Ca 0.03 -1.50 -0.07 0.00 0.31 0.00 0.00 61.69 60.46 2k78 s THR 101 Cb -0.01 -1.28 0.01 0.00 0.01 0.00 0.00 72.50 71.23 2k78 s THR 101 CO -0.06 -0.83 0.17 -0.94 -0.69 0.00 0.00 174.62 172.27 2k78 s SER 102 N -2.66 -0.13 -0.01 3.53 1.04 -1.03 -2.68 113.70 111.76 2k78 s SER 102 Ca 0.03 0.20 -0.15 0.00 0.48 0.00 0.00 55.95 56.51 2k78 s SER 102 Cb 0.04 0.32 -0.06 0.00 0.10 0.00 0.00 66.02 66.43 2k78 s SER 102 CO -0.09 -0.16 0.42 -0.70 0.98 0.00 0.00 173.24 173.70 2k78 s GLU 103 N -0.35 3.99 0.04 4.02 2.12 -1.19 -2.00 118.70 125.32 2k78 s GLU 103 Ca -0.04 0.43 0.05 0.00 0.36 0.00 0.00 54.97 55.76 2k78 s GLU 103 Cb -0.03 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 2k78 s GLU 103 CO 0.01 0.63 -0.14 -0.06 -0.54 0.00 0.00 175.26 175.15 2k78 s PHE 104 N -0.88 1.23 -0.19 5.30 0.08 0.13 -3.80 117.98 119.85 2k78 s PHE 104 Ca 0.24 -0.36 -0.10 0.00 0.12 0.00 0.00 56.93 56.83 2k78 s PHE 104 Cb -0.17 -0.73 -0.05 0.00 -0.57 0.00 0.00 43.02 41.51 2k78 s PHE 104 CO 0.13 0.04 0.14 -2.00 -0.10 0.00 0.00 175.22 173.43 2k78 s GLU 105 N -1.16 4.12 0.13 0.44 2.12 -1.26 -1.89 118.70 121.20 2k78 s GLU 105 Ca 0.01 -0.19 -0.11 0.00 0.36 0.00 0.00 54.97 55.05 2k78 s GLU 105 Cb -0.08 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.92 2k78 s GLU 105 CO 0.01 0.34 0.29 0.14 -0.54 0.00 0.00 175.26 175.50 2k78 s VAL 106 N 0.23 0.09 -0.28 3.70 -7.23 -1.26 -4.79 120.40 110.85 2k78 s VAL 106 Ca 0.09 -1.11 -0.29 0.00 -1.81 0.00 0.00 61.98 58.86 2k78 s VAL 106 Cb -0.11 -1.51 -0.02 0.00 0.56 0.00 0.00 36.38 35.30 2k78 s VAL 106 CO -0.01 -0.42 1.67 -0.94 -0.31 0.00 0.00 175.10 175.09 2k78 s SER 107 N -2.89 6.17 0.33 4.85 1.04 -1.26 -4.78 113.70 117.16 2k78 s SER 107 Ca 0.09 1.41 0.00 0.00 0.48 0.00 0.00 55.95 57.94 2k78 s SER 107 Cb 0.03 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.62 2k78 s SER 107 CO -0.07 -1.46 0.00 0.29 0.98 0.00 0.00 173.24 172.98 2k78 n LYS 108 N 8.03 0.00 -2.72 4.02 4.76 -1.26 -4.55 118.16 126.44 2k78 n LYS 108 Ca 0.20 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.55 2k78 n LYS 108 Cb 0.46 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.72 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 -0.35 -3.34 -0.35 -0.00 -1.26 -4.92 117.00 106.77 2k78 n LEU 109 Ca 0.00 -3.70 -0.20 0.00 -0.00 0.00 0.00 56.01 52.11 2k78 n LEU 109 Cb 0.00 0.31 -0.08 0.00 -0.00 0.00 0.00 43.42 43.65 2k78 n LEU 109 CO 0.00 1.80 -0.19 0.21 -0.00 0.00 0.00 177.39 179.21 2k78 s ASN 110 N -2.09 1.31 0.00 1.45 3.84 -1.26 -1.49 114.94 116.70 2k78 s ASN 110 Ca 0.25 -1.95 0.00 0.00 0.21 0.00 0.00 52.86 51.38 2k78 s ASN 110 Cb 0.41 0.34 0.00 0.00 -0.55 0.00 0.00 41.25 41.45 2k78 s ASN 110 CO -0.03 -0.24 0.00 0.61 -2.79 0.00 0.00 177.10 174.65 2k78 n GLY 111 N 3.87 2.12 3.79 1.21 0.00 -0.58 -4.92 105.19 110.67 2k78 n GLY 111 Ca 0.15 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.97 4.51 -0.00 1.61 2.20 -1.26 -1.26 119.74 123.57 2k78 s LYS 112 Ca 0.00 1.21 0.01 0.00 -0.36 0.00 0.00 55.97 56.83 2k78 s LYS 112 Cb 0.00 -2.86 -0.00 0.00 -1.51 0.00 0.00 37.83 33.46 2k78 s LYS 112 CO 0.00 0.33 -0.03 0.42 -0.36 0.00 0.00 175.35 175.72 2k78 s ILE 113 N -1.55 0.21 0.16 5.43 -1.09 0.55 -4.94 121.20 119.98 2k78 s ILE 113 Ca 0.47 -0.11 -0.30 0.00 -2.23 0.00 0.00 60.65 58.48 2k78 s ILE 113 Cb -0.19 -0.19 -0.07 0.00 -1.58 0.00 0.00 42.46 40.44 2k78 s ILE 113 CO 0.24 0.06 1.07 -1.81 -1.23 0.00 0.00 174.94 173.26 2k78 s ASP 114 N -0.05 7.33 0.32 3.58 1.01 -1.26 -0.40 116.67 127.19 2k78 s ASP 114 Ca 0.01 2.02 0.05 0.00 0.71 0.00 0.00 52.55 55.34 2k78 s ASP 114 Cb -0.01 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2k78 s ASP 114 CO -0.00 -0.18 0.29 -0.83 0.21 0.00 0.00 175.17 174.66 2k78 s GLY 115 N -0.10 2.13 0.06 0.21 0.00 -1.11 -2.30 107.32 106.21 2k78 s GLY 115 Ca 0.49 -1.97 -0.05 0.00 0.00 0.00 0.00 44.72 43.19 2k78 s GLY 115 CO 0.34 -1.41 0.09 0.54 0.00 0.00 0.00 173.10 172.65 2k78 s LYS 116 N -3.48 0.68 -0.19 2.90 1.02 0.10 -3.10 119.74 117.67 2k78 s LYS 116 Ca 0.39 -0.96 -0.24 0.00 0.02 0.00 0.00 55.97 55.19 2k78 s LYS 116 Cb 0.03 0.26 0.06 0.00 -0.52 0.00 0.00 37.83 37.66 2k78 s LYS 116 CO 0.25 -0.17 0.63 -1.50 -0.92 0.00 0.00 175.35 173.63 2k78 s ILE 117 N -3.41 0.00 0.33 2.17 -1.16 0.54 0.17 121.20 119.84 2k78 s ILE 117 Ca 0.02 -0.03 0.07 0.00 -0.51 0.00 0.00 60.65 60.21 2k78 s ILE 117 Cb 0.04 -0.89 -0.03 0.00 0.61 0.00 0.00 42.46 42.18 2k78 s ILE 117 CO -0.08 -0.02 0.28 -1.81 -2.81 0.00 0.00 174.94 170.50 2k78 s ASP 118 N -0.07 5.31 0.02 4.50 1.01 -1.08 -0.69 116.67 125.67 2k78 s ASP 118 Ca -0.03 -0.47 -0.03 0.00 0.71 0.00 0.00 52.55 52.73 2k78 s ASP 118 Cb -0.04 -1.02 -0.01 0.00 1.01 0.00 0.00 42.92 42.86 2k78 s ASP 118 CO 0.03 -0.32 0.04 -0.69 0.21 0.00 0.00 175.17 174.44 2k78 s VAL 119 N -2.29 0.11 -0.27 -1.27 1.01 -1.07 -2.60 120.40 114.03 2k78 s VAL 119 Ca 0.40 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 2k78 s VAL 119 Cb -0.06 -0.51 0.15 0.00 0.00 0.00 0.00 36.38 35.96 2k78 s VAL 119 CO 0.26 -0.52 0.40 -0.47 0.00 0.00 0.00 175.10 174.77 2k78 s TYR 120 N -1.81 -0.94 0.13 5.22 5.04 -1.18 -2.72 117.35 121.09 2k78 s TYR 120 Ca -0.12 0.63 0.08 0.00 -2.44 0.00 0.00 57.07 55.22 2k78 s TYR 120 Cb -0.07 -0.04 -0.04 0.00 0.35 0.00 0.00 41.96 42.17 2k78 s TYR 120 CO -0.02 -0.85 -0.19 0.42 -1.34 0.00 0.00 175.55 173.58 2k78 s ILE 121 N 2.56 1.73 -0.29 3.14 1.01 0.01 -4.48 121.20 124.88 2k78 s ILE 121 Ca 0.12 -1.73 0.04 0.00 0.00 0.00 0.00 60.65 59.07 2k78 s ILE 121 Cb -0.14 -1.68 0.20 0.00 0.01 0.00 0.00 42.46 40.84 2k78 s ILE 121 CO -0.23 -0.21 0.62 1.51 0.00 0.00 0.00 174.94 176.63 2k78 s ASP 122 N -2.30 -1.52 0.00 3.58 1.47 -1.26 -2.12 116.67 114.52 2k78 s ASP 122 Ca 0.11 0.34 0.00 0.00 1.18 0.00 0.00 52.55 54.18 2k78 s ASP 122 Cb -0.08 2.03 0.00 0.00 -0.34 0.00 0.00 42.92 44.54 2k78 s ASP 122 CO 0.05 -0.28 0.00 -1.84 0.68 0.00 0.00 175.17 173.78 2k78 n GLU 123 N 5.41 0.00 -3.35 2.11 0.28 -1.17 -5.01 120.64 118.91 2k78 n GLU 123 Ca 0.04 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.59 2k78 n GLU 123 Cb 0.53 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.34 2k78 n GLU 123 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2k78 s LYS 124 N -0.27 2.99 -0.62 3.44 2.20 -1.26 -0.44 119.74 125.78 2k78 s LYS 124 Ca 0.00 -1.49 -0.27 0.00 -0.36 0.00 0.00 55.97 53.85 2k78 s LYS 124 Cb 0.00 -4.20 0.01 0.00 -1.51 0.00 0.00 37.83 32.13 2k78 s LYS 124 CO 0.00 -1.15 1.43 0.08 -0.36 0.00 0.00 175.35 175.35 2k78 s VAL 125 N 1.64 3.72 -1.35 4.02 1.01 0.44 -3.51 120.40 126.37 2k78 s VAL 125 Ca 0.04 0.54 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 2k78 s VAL 125 Cb -0.27 -4.52 0.00 0.00 0.00 0.00 0.00 36.38 31.60 2k78 s VAL 125 CO 0.05 -1.34 0.45 -3.20 0.00 0.00 0.00 175.10 171.06 2k78 n ASN 126 N 9.90 -5.42 -0.06 3.32 4.05 -1.26 -2.42 115.26 123.37 2k78 n ASN 126 Ca 0.11 -0.21 0.00 0.00 0.45 0.00 0.00 54.58 54.92 2k78 n ASN 126 Cb 0.50 -4.28 0.00 0.00 1.23 0.00 0.00 39.78 37.22 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 -1.36 0.67 3.05 8.20 0.00 -1.23 -5.06 105.19 109.47 2k78 n GLY 127 Ca -0.11 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 2k78 n GLY 127 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k78 s LYS 128 N -3.64 0.20 0.15 1.61 2.20 -1.02 -5.07 119.74 114.18 2k78 s LYS 128 Ca 0.00 0.33 -0.33 0.00 -0.36 0.00 0.00 55.97 55.60 2k78 s LYS 128 Cb 0.00 0.03 -0.13 0.00 -1.51 0.00 0.00 37.83 36.22 2k78 s LYS 128 CO 0.00 -0.07 1.63 -0.35 -0.36 0.00 0.00 175.35 176.20 2k78 n PRO 129 N 3.35 2.28 -3.90 4.03 -0.04 -1.26 0.17 135.00 139.62 2k78 n PRO 129 Ca -0.17 0.82 -0.27 0.00 -0.04 0.00 0.00 63.50 63.84 2k78 n PRO 129 Cb 0.57 -2.61 -0.17 0.00 -0.04 0.00 0.00 33.50 31.25 2k78 n PRO 129 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2k78 s PHE 130 N 1.19 1.60 -0.11 0.54 5.36 0.42 -4.73 117.98 122.25 2k78 s PHE 130 Ca 0.79 -0.90 -0.04 0.00 -0.96 0.00 0.00 56.93 55.83 2k78 s PHE 130 Cb -0.64 -1.28 -0.04 0.00 -0.34 0.00 0.00 43.02 40.72 2k78 s PHE 130 CO 0.38 -0.56 0.04 0.21 -1.46 0.00 0.00 175.22 173.82 2k78 s LYS 131 N 1.67 3.27 -0.26 10.12 2.47 -1.26 -3.02 119.74 132.74 2k78 s LYS 131 Ca 0.03 -0.35 -0.11 0.00 -1.56 0.00 0.00 55.97 53.99 2k78 s LYS 131 Cb -0.14 -2.94 0.10 0.00 -1.46 0.00 0.00 37.83 33.39 2k78 s LYS 131 CO -0.08 0.62 0.58 -0.47 0.16 0.00 0.00 175.35 176.16 2k78 s TYR 132 N -0.64 -1.06 -0.35 4.03 5.04 -0.90 -4.97 117.35 118.50 2k78 s TYR 132 Ca 0.11 1.98 -0.06 0.00 -2.44 0.00 0.00 57.07 56.65 2k78 s TYR 132 Cb -0.12 0.59 0.19 0.00 0.35 0.00 0.00 41.96 42.97 2k78 s TYR 132 CO 0.02 -0.55 1.00 0.34 -1.34 0.00 0.00 175.55 175.02 2k78 s ASP 133 N 2.35 -0.50 0.00 4.32 2.15 -1.26 -0.81 116.67 122.92 2k78 s ASP 133 Ca -0.06 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.58 2k78 s ASP 133 Cb -0.10 0.65 0.00 0.00 -0.30 0.00 0.00 42.92 43.17 2k78 s ASP 133 CO -0.17 -0.05 0.00 1.57 -0.17 0.00 0.00 175.17 176.35 2k78 n HIS 134 N 3.52 -0.09 -4.42 -5.34 -0.00 -1.10 -5.02 115.22 102.76 2k78 n HIS 134 Ca 0.08 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 58.01 2k78 n HIS 134 Cb 0.63 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 30.38 2k78 n HIS 134 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2k78 s HIS 135 N -2.91 2.21 0.36 1.57 0.09 -1.26 -2.58 115.29 112.76 2k78 s HIS 135 Ca 0.00 -0.37 -0.09 0.00 -0.00 0.00 0.00 55.06 54.60 2k78 s HIS 135 Cb 0.00 -1.07 0.04 0.00 -0.00 0.00 0.00 32.58 31.55 2k78 s HIS 135 CO 0.00 0.51 0.63 0.66 -0.00 0.00 0.00 174.74 176.54 2k78 n TYR 136 N 0.09 -1.92 -3.98 1.40 4.01 0.14 -4.96 117.16 111.94 2k78 n TYR 136 Ca -0.11 -1.97 -0.09 0.00 -0.16 0.00 0.00 57.90 55.57 2k78 n TYR 136 Cb 0.57 0.73 -0.06 0.00 -0.31 0.00 0.00 39.34 40.27 2k78 n TYR 136 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2k78 s ASN 137 N -3.00 -0.08 0.18 7.72 2.20 -1.26 -0.34 114.94 120.36 2k78 s ASN 137 Ca 0.20 -0.90 -0.19 0.00 -0.94 0.00 0.00 52.86 51.03 2k78 s ASN 137 Cb -0.03 0.56 0.04 0.00 -2.00 0.00 0.00 41.25 39.82 2k78 s ASN 137 CO 0.15 -1.09 0.54 0.27 -2.94 0.00 0.00 177.10 174.03 2k78 s ILE 138 N -4.01 0.02 -0.23 0.54 -4.36 -1.18 -4.52 121.20 107.47 2k78 s ILE 138 Ca 0.21 -0.57 -0.18 0.00 -0.26 0.00 0.00 60.65 59.85 2k78 s ILE 138 Cb 0.00 -1.41 -0.03 0.00 1.25 0.00 0.00 42.46 42.27 2k78 s ILE 138 CO 0.07 -0.11 0.52 -0.89 0.24 0.00 0.00 174.94 174.78 2k78 s THR 139 N -3.84 5.08 0.39 8.37 2.01 -0.67 -2.76 115.64 124.22 2k78 s THR 139 Ca 0.06 0.93 -0.04 0.00 0.31 0.00 0.00 61.69 62.95 2k78 s THR 139 Cb -0.01 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2k78 s THR 139 CO -0.06 0.13 0.66 -0.31 -0.69 0.00 0.00 174.62 174.35 2k78 s TYR 140 N 1.98 3.51 -0.26 4.92 1.51 0.46 -0.62 117.35 128.85 2k78 s TYR 140 Ca 0.23 0.68 -0.01 0.00 -1.01 0.00 0.00 57.07 56.95 2k78 s TYR 140 Cb -0.15 -2.16 0.13 0.00 -0.11 0.00 0.00 41.96 39.66 2k78 s TYR 140 CO 0.09 -0.04 0.32 0.21 -1.11 0.00 0.00 175.55 175.02 2k78 s LYS 141 N -4.21 0.31 0.37 -0.62 2.36 0.23 -0.33 119.74 117.85 2k78 s LYS 141 Ca 0.45 0.14 -0.03 0.00 -2.55 0.00 0.00 55.97 53.98 2k78 s LYS 141 Cb -0.10 -0.68 -0.04 0.00 -1.05 0.00 0.00 37.83 35.95 2k78 s LYS 141 CO 0.37 -0.85 0.63 -0.06 1.55 0.00 0.00 175.35 176.99 2k78 s PHE 142 N 2.43 3.51 -0.29 4.03 0.08 -0.39 0.12 117.98 127.47 2k78 s PHE 142 Ca 0.10 0.59 -0.02 0.00 0.12 0.00 0.00 56.93 57.72 2k78 s PHE 142 Cb -0.14 -2.09 0.12 0.00 -0.57 0.00 0.00 43.02 40.33 2k78 s PHE 142 CO -0.24 0.01 0.21 -0.80 -0.10 0.00 0.00 175.22 174.30 2k78 s ASN 143 N -3.79 2.71 0.00 1.36 0.01 0.42 -1.53 114.94 114.13 2k78 s ASN 143 Ca 0.44 -1.10 0.00 0.00 -0.71 0.00 0.00 52.86 51.49 2k78 s ASN 143 Cb -0.10 0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.58 2k78 s ASN 143 CO 0.37 -0.41 0.00 0.61 -1.51 0.00 0.00 177.10 176.16 2k78 n GLY 144 N 5.22 3.47 0.00 0.66 0.00 -0.56 -2.52 105.19 111.46 2k78 n GLY 144 Ca -0.04 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.70 0.00 1.61 -0.04 -1.26 -4.70 135.00 129.91 2k78 n PRO 145 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2k78 n PRO 145 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -2.13 0.00 0.00 0.52 -2.24 -1.26 -4.35 114.28 104.83 2k78 n THR 146 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 2k78 n THR 146 Cb 0.00 -0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.28 1.29 -3.48 3.42 9.92 -1.26 -4.97 116.55 119.18 2k78 n ASP 147 Ca 0.00 0.19 -0.19 0.00 -0.53 0.00 0.00 54.79 54.26 2k78 n ASP 147 Cb 0.00 -0.44 0.06 0.00 -0.64 0.00 0.00 41.12 40.10 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 -3.75 -6.49 -2.29 2.53 0.31 -1.26 -4.85 118.33 102.52 2k78 n VAL 148 Ca -0.06 -0.80 -0.43 0.00 -0.01 0.00 0.00 64.34 63.04 2k78 n VAL 148 Cb 0.21 -5.03 0.00 0.00 -0.91 0.00 0.00 33.84 28.11 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 -3.92 4.43 -0.03 3.52 0.00 -1.26 -5.05 120.51 118.20 2k78 n ALA 149 Ca -0.21 -3.93 0.00 0.00 0.00 0.00 0.00 53.44 49.30 2k78 n ALA 149 Cb 0.65 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 16.61 2k78 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91