#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 -2.52 -2.28 -0.43 0.00 -1.26 -4.94 120.51 109.08 2k78 n ALA 26 Ca 0.00 -0.71 -0.20 0.00 0.00 0.00 0.00 53.44 52.53 2k78 n ALA 26 Cb 0.00 -2.55 -0.02 0.00 0.00 0.00 0.00 19.45 16.88 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 0.67 -5.70 -3.84 0.00 5.15 -1.26 -4.83 115.26 105.44 2k78 n ASN 27 Ca -0.01 0.05 -0.40 0.00 -0.60 0.00 0.00 54.58 53.62 2k78 n ASN 27 Cb 0.73 -4.76 -0.06 0.00 -0.53 0.00 0.00 39.78 35.16 2k78 n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k78 n ALA 28 N -1.54 2.88 0.07 5.20 0.00 -1.26 -4.65 120.51 121.22 2k78 n ALA 28 Ca -0.23 -3.23 -0.09 0.00 0.00 0.00 0.00 53.44 49.89 2k78 n ALA 28 Cb 0.68 -3.61 -0.06 0.00 0.00 0.00 0.00 19.45 16.47 2k78 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k78 h ALA 29 N 8.38 -0.27 -4.38 0.00 0.00 -1.97 -3.47 119.26 117.54 2k78 h ALA 29 Ca 0.37 -0.18 -0.38 0.00 0.00 0.00 0.00 54.91 54.73 2k78 h ALA 29 Cb 0.73 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2k78 h ALA 29 CO 1.80 -0.30 -0.54 -0.25 0.00 0.00 0.00 179.25 179.95 2k78 n ASP 30 N -4.95 -5.20 -3.63 0.00 8.00 -1.26 -4.80 116.55 104.71 2k78 n ASP 30 Ca -0.06 -0.20 -0.14 0.00 0.71 0.00 0.00 54.79 55.10 2k78 n ASP 30 Cb 0.22 -4.26 -0.07 0.00 -0.02 0.00 0.00 41.12 36.99 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 -2.50 -0.74 0.00 -2.24 1.04 -1.26 0.12 113.70 108.11 2k78 s SER 31 Ca 0.23 1.42 0.00 0.00 0.48 0.00 0.00 55.95 58.08 2k78 s SER 31 Cb -0.11 1.44 0.00 0.00 0.10 0.00 0.00 66.02 67.45 2k78 s SER 31 CO 0.29 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.87 2k78 n GLY 32 N 2.69 -0.68 3.53 7.32 0.00 -0.51 -4.99 105.19 112.55 2k78 n GLY 32 Ca -0.14 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 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 4.63 0.21 2.61 -4.23 -1.26 -0.09 115.64 115.50 2k78 s THR 33 Ca 0.00 0.33 -0.03 0.00 -1.18 0.00 0.00 61.69 60.81 2k78 s THR 33 Cb 0.00 -4.35 -0.05 0.00 1.34 0.00 0.00 72.50 69.44 2k78 s THR 33 CO 0.00 -0.79 0.44 -0.22 -0.54 0.00 0.00 174.62 173.51 2k78 s LEU 34 N 3.34 4.19 0.12 4.79 2.96 0.56 -4.89 118.68 129.75 2k78 s LEU 34 Ca 0.29 0.56 -0.29 0.00 -0.22 0.00 0.00 54.13 54.47 2k78 s LEU 34 Cb -0.13 -3.33 -0.06 0.00 0.50 0.00 0.00 46.19 43.17 2k78 s LEU 34 CO 0.21 -0.06 0.91 0.20 -1.32 0.00 0.00 176.35 176.30 2k78 s ASN 35 N -2.94 7.46 0.04 3.68 -0.87 -1.08 -2.63 114.94 118.60 2k78 s ASN 35 Ca 0.41 1.74 -0.28 0.00 -1.57 0.00 0.00 52.86 53.17 2k78 s ASN 35 Cb -0.11 -2.57 0.09 0.00 -0.02 0.00 0.00 41.25 38.65 2k78 s ASN 35 CO 0.28 -0.01 0.88 -0.72 -2.57 0.00 0.00 177.10 174.95 2k78 s TYR 36 N -0.22 -0.32 0.00 2.20 1.13 -1.26 0.16 117.35 119.04 2k78 s TYR 36 Ca 0.44 0.15 0.00 0.00 -1.41 0.00 0.00 57.07 56.25 2k78 s TYR 36 Cb -0.23 0.56 0.00 0.00 -1.10 0.00 0.00 41.96 41.19 2k78 s TYR 36 CO 0.29 -0.62 0.00 -1.91 -2.51 0.00 0.00 175.55 170.80 2k78 n GLU 37 N -0.30 0.00 -4.22 -3.49 2.13 0.53 -4.79 120.64 110.51 2k78 n GLU 37 Ca -0.09 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.61 2k78 n GLU 37 Cb 0.62 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.23 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 -2.65 0.10 0.09 6.31 -7.23 -1.26 -0.33 120.40 115.43 2k78 s VAL 38 Ca 0.00 -1.99 -0.10 0.00 -1.81 0.00 0.00 61.98 58.07 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 -0.04 0.23 -0.31 -0.31 0.00 0.00 175.10 174.68 2k78 s TYR 39 N -4.08 0.08 0.24 2.82 2.02 -1.11 -4.12 117.35 113.19 2k78 s TYR 39 Ca 0.38 -0.48 -0.30 0.00 -0.37 0.00 0.00 57.07 56.30 2k78 s TYR 39 Cb 0.07 0.01 -0.09 0.00 -0.40 0.00 0.00 41.96 41.54 2k78 s TYR 39 CO 0.12 -0.57 1.34 0.21 -1.57 0.00 0.00 175.55 175.08 2k78 s LYS 40 N -3.81 4.35 0.52 -0.62 2.47 -1.18 -1.88 119.74 119.61 2k78 s LYS 40 Ca 0.04 2.15 -0.22 0.00 -1.56 0.00 0.00 55.97 56.39 2k78 s LYS 40 Cb 0.04 -3.15 -0.06 0.00 -1.46 0.00 0.00 37.83 33.21 2k78 s LYS 40 CO -0.11 -0.28 1.27 -0.47 0.16 0.00 0.00 175.35 175.92 2k78 s TYR 41 N -0.18 2.51 0.00 4.03 5.04 -1.26 -1.94 117.35 125.54 2k78 s TYR 41 Ca 0.56 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.64 2k78 s TYR 41 Cb -0.39 -3.61 0.00 0.00 0.35 0.00 0.00 41.96 38.32 2k78 s TYR 41 CO 0.42 -2.31 0.00 -1.71 -1.34 0.00 0.00 175.55 170.61 2k78 n ASN 42 N -0.92 -1.80 -0.81 4.32 2.85 -1.26 -4.93 115.26 112.72 2k78 n ASN 42 Ca 0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 2k78 n ASN 42 Cb 0.47 -1.44 0.00 0.00 1.24 0.00 0.00 39.78 40.05 2k78 n ASN 42 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2k78 n THR 43 N -2.22 0.00 -1.52 -0.44 -2.24 -0.82 -5.07 114.28 101.96 2k78 n THR 43 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2k78 n THR 43 Cb 0.09 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.15 0.77 -3.74 3.42 3.02 -1.26 -4.70 115.26 110.62 2k78 n ASN 44 Ca 0.00 -2.20 -0.23 0.00 -0.03 0.00 0.00 54.58 52.11 2k78 n ASN 44 Cb 0.00 -0.23 -0.17 0.00 -0.61 0.00 0.00 39.78 38.76 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 -1.43 1.79 0.22 6.41 2.15 -1.26 -4.90 116.67 119.65 2k78 s ASP 45 Ca 0.09 -0.22 -0.32 0.00 0.43 0.00 0.00 52.55 52.53 2k78 s ASP 45 Cb 0.08 -0.41 -0.14 0.00 -0.30 0.00 0.00 42.92 42.15 2k78 s ASP 45 CO 0.01 -0.23 1.34 0.41 -0.17 0.00 0.00 175.17 176.52 2k78 n THR 46 N 5.16 0.90 0.00 1.71 -1.04 -1.26 -3.09 114.28 116.66 2k78 n THR 46 Ca -0.07 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 2k78 n THR 46 Cb 0.49 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 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 2.15 2.13 0.00 8.00 2.88 -1.26 -4.78 113.62 122.74 2k78 n SER 47 Ca 0.13 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2k78 n SER 47 Cb 0.29 0.53 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 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 -0.75 0.00 1.90 2.46 5.41 -1.26 -4.83 119.36 122.30 2k78 n ILE 48 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.79 2k78 n ILE 48 Cb 0.00 -0.60 0.22 0.00 -0.71 0.00 0.00 39.64 38.55 2k78 n ILE 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k78 n ALA 49 N -2.57 2.54 -0.00 -1.39 0.00 -1.26 -3.81 120.51 114.00 2k78 n ALA 49 Ca 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 53.44 53.27 2k78 n ALA 49 Cb 0.05 -1.11 0.11 0.00 0.00 0.00 0.00 19.45 18.50 2k78 n ALA 49 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2k78 h ASN 50 N 0.21 0.58 -0.56 0.00 -1.07 -1.88 -3.04 115.58 109.83 2k78 h ASN 50 Ca 0.00 -0.25 0.00 0.00 0.07 0.00 0.00 56.30 56.12 2k78 h ASN 50 Cb 0.05 -0.16 0.00 0.00 -2.07 0.00 0.00 38.32 36.13 2k78 h ASN 50 CO 0.00 0.92 0.00 0.47 0.07 0.00 0.00 177.43 178.89 2k78 n ASP 51 N -4.04 4.51 -0.10 6.14 9.92 -1.25 -4.34 116.55 127.40 2k78 n ASP 51 Ca -0.02 -2.51 0.12 0.00 -0.53 0.00 0.00 54.79 51.85 2k78 n ASP 51 Cb 0.51 -0.54 0.18 0.00 -0.64 0.00 0.00 41.12 40.63 2k78 n ASP 51 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k78 n TYR 52 N 0.79 0.00 -4.42 1.24 9.36 -1.15 -4.84 117.16 118.14 2k78 n TYR 52 Ca 0.24 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 61.19 2k78 n TYR 52 Cb 0.86 -0.15 -0.17 0.00 -0.63 0.00 0.00 39.34 39.26 2k78 n TYR 52 CO 0.00 0.00 0.00 -0.59 0.22 0.00 0.00 176.86 176.49 2k78 s PHE 53 N -2.84 1.73 -0.55 2.98 -0.71 -1.26 -2.97 117.98 114.35 2k78 s PHE 53 Ca 0.14 -0.77 -0.28 0.00 -1.04 0.00 0.00 56.93 54.99 2k78 s PHE 53 Cb 0.18 -1.28 0.00 0.00 -1.21 0.00 0.00 43.02 40.71 2k78 s PHE 53 CO 0.68 -0.41 1.56 1.21 -1.34 0.00 0.00 175.22 176.91 2k78 s ASN 54 N 0.99 5.91 0.47 1.98 3.84 -1.25 -4.98 114.94 121.89 2k78 s ASN 54 Ca -0.08 0.40 -0.00 0.00 0.21 0.00 0.00 52.86 53.39 2k78 s ASN 54 Cb -0.15 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.01 2k78 s ASN 54 CO -0.01 -1.86 0.70 -1.59 -2.79 0.00 0.00 177.10 171.55 2k78 s LYS 55 N 5.87 3.01 0.80 0.43 -2.85 -1.26 -4.52 119.74 121.21 2k78 s LYS 55 Ca 0.58 -0.47 -0.14 0.00 -1.00 0.00 0.00 55.97 54.95 2k78 s LYS 55 Cb -0.13 -2.52 0.19 0.00 -2.06 0.00 0.00 37.83 33.31 2k78 s LYS 55 CO 0.25 -0.35 0.99 -0.35 0.10 0.00 0.00 175.35 175.99 2k78 n PRO 56 N -2.15 -1.35 -3.46 1.78 -0.04 -1.26 -5.15 135.00 123.38 2k78 n PRO 56 Ca 0.02 -1.54 -0.19 0.00 -0.04 0.00 0.00 63.50 61.75 2k78 n PRO 56 Cb 0.58 -1.10 -0.01 0.00 -0.04 0.00 0.00 33.50 32.92 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 -3.78 4.17 -0.33 0.55 0.00 -1.08 -4.93 121.76 116.36 2k78 s ALA 57 Ca 0.58 -1.66 -0.11 0.00 0.00 0.00 0.00 51.96 50.77 2k78 s ALA 57 Cb -0.02 -1.39 -0.00 0.00 0.00 0.00 0.00 23.12 21.70 2k78 s ALA 57 CO 0.41 -0.13 0.19 0.15 0.00 0.00 0.00 175.76 176.38 2k78 s LYS 58 N -4.16 3.29 0.34 0.00 1.02 -1.16 -0.32 119.74 118.74 2k78 s LYS 58 Ca 0.47 -0.76 0.03 0.00 0.02 0.00 0.00 55.97 55.73 2k78 s LYS 58 Cb -0.07 -3.67 -0.02 0.00 -0.52 0.00 0.00 37.83 33.54 2k78 s LYS 58 CO 0.30 -0.48 0.51 1.52 -0.92 0.00 0.00 175.35 176.27 2k78 s TYR 59 N 1.64 3.33 0.05 3.18 1.13 0.87 -0.13 117.35 127.43 2k78 s TYR 59 Ca 0.05 0.09 -0.20 0.00 -1.41 0.00 0.00 57.07 55.59 2k78 s TYR 59 Cb -0.18 -1.92 0.04 0.00 -1.10 0.00 0.00 41.96 38.81 2k78 s TYR 59 CO 0.08 0.07 0.47 -1.50 -2.51 0.00 0.00 175.55 172.16 2k78 s ILE 60 N -2.24 0.04 0.23 -3.49 2.07 0.36 -1.43 121.20 116.74 2k78 s ILE 60 Ca 0.41 -0.35 0.00 0.00 -1.41 0.00 0.00 60.65 59.31 2k78 s ILE 60 Cb -0.09 -0.98 -0.04 0.00 0.13 0.00 0.00 42.46 41.48 2k78 s ILE 60 CO 0.33 -0.19 0.13 -0.54 -1.91 0.00 0.00 174.94 172.76 2k78 s LYS 61 N -2.56 1.33 -0.45 3.50 1.02 0.31 0.45 119.74 123.34 2k78 s LYS 61 Ca -0.05 -1.72 0.07 0.00 0.02 0.00 0.00 55.97 54.30 2k78 s LYS 61 Cb -0.01 0.06 0.31 0.00 -0.52 0.00 0.00 37.83 37.67 2k78 s LYS 61 CO -0.03 -0.37 0.99 1.63 -0.92 0.00 0.00 175.35 176.64 2k78 n LYS 62 N -0.38 0.95 -2.87 1.68 5.02 0.46 -4.70 118.16 118.32 2k78 n LYS 62 Ca 0.01 -2.17 -0.01 0.00 -2.02 0.00 0.00 58.31 54.12 2k78 n LYS 62 Cb 0.66 -1.23 -0.01 0.00 -0.02 0.00 0.00 35.03 34.43 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 0.65 -6.28 -0.03 4.39 4.13 -1.26 -4.16 115.26 112.70 2k78 n ASN 63 Ca 0.10 1.09 -0.00 0.00 1.68 0.00 0.00 54.58 57.45 2k78 n ASN 63 Cb 0.67 -3.88 -0.00 0.00 -1.54 0.00 0.00 39.78 35.03 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 1.24 0.37 3.56 7.41 0.00 -1.26 -5.02 105.19 111.49 2k78 n GLY 64 Ca -0.07 -0.93 -0.06 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.46 0.51 -0.21 1.61 -2.85 -1.26 -5.12 119.74 108.96 2k78 s LYS 65 Ca 0.00 -0.15 -0.29 0.00 -1.00 0.00 0.00 55.97 54.54 2k78 s LYS 65 Cb 0.00 0.24 0.14 0.00 -2.06 0.00 0.00 37.83 36.15 2k78 s LYS 65 CO 0.00 -0.22 1.09 -0.48 0.10 0.00 0.00 175.35 175.84 2k78 s LEU 66 N -2.12 -0.32 0.24 2.77 2.34 -1.26 -0.40 118.68 119.92 2k78 s LEU 66 Ca 0.07 0.43 0.01 0.00 0.06 0.00 0.00 54.13 54.69 2k78 s LEU 66 Cb -0.01 1.70 -0.04 0.00 -0.56 0.00 0.00 46.19 47.28 2k78 s LEU 66 CO -0.06 -0.23 0.14 -0.31 -1.06 0.00 0.00 176.35 174.83 2k78 s TYR 67 N -0.72 1.35 -0.03 3.48 1.51 0.17 -3.54 117.35 119.56 2k78 s TYR 67 Ca 0.01 -1.36 -0.05 0.00 -1.01 0.00 0.00 57.07 54.66 2k78 s TYR 67 Cb -0.02 -0.68 0.01 0.00 -0.11 0.00 0.00 41.96 41.16 2k78 s TYR 67 CO -0.03 -0.58 0.13 0.14 -1.11 0.00 0.00 175.55 174.10 2k78 s VAL 68 N -3.94 0.03 -0.11 0.71 -7.23 -0.95 0.13 120.40 109.03 2k78 s VAL 68 Ca 0.39 -0.24 -0.12 0.00 -1.81 0.00 0.00 61.98 60.20 2k78 s VAL 68 Cb 0.07 -0.27 -0.05 0.00 0.56 0.00 0.00 36.38 36.69 2k78 s VAL 68 CO 0.14 -0.13 0.26 0.00 -0.31 0.00 0.00 175.10 175.06 2k78 s GLN 69 N -0.41 3.91 -0.06 4.82 1.03 0.82 -1.05 119.66 128.71 2k78 s GLN 69 Ca -0.05 0.08 0.01 0.00 0.04 0.00 0.00 55.36 55.44 2k78 s GLN 69 Cb -0.03 -3.30 -0.03 0.00 0.03 0.00 0.00 33.01 29.68 2k78 s GLN 69 CO 0.00 0.53 -0.08 0.42 -2.54 0.00 0.00 175.29 173.62 2k78 s ILE 70 N -0.40 3.62 0.07 3.63 1.09 0.36 -2.98 121.20 126.59 2k78 s ILE 70 Ca 0.17 -0.52 -0.21 0.00 -1.10 0.00 0.00 60.65 58.99 2k78 s ILE 70 Cb -0.13 -2.48 -0.07 0.00 -1.06 0.00 0.00 42.46 38.72 2k78 s ILE 70 CO 0.06 0.59 0.63 -0.89 -0.10 0.00 0.00 174.94 175.23 2k78 s THR 71 N -0.81 4.71 -0.25 2.92 2.01 -1.26 -1.80 115.64 121.17 2k78 s THR 71 Ca 0.12 1.35 -0.09 0.00 0.31 0.00 0.00 61.69 63.38 2k78 s THR 71 Cb -0.11 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2k78 s THR 71 CO 0.01 0.50 0.12 -0.69 -0.69 0.00 0.00 174.62 173.87 2k78 s VAL 72 N -0.82 4.82 -0.20 3.82 1.01 0.46 -3.86 120.40 125.62 2k78 s VAL 72 Ca 0.31 -0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.19 2k78 s VAL 72 Cb -0.20 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 2k78 s VAL 72 CO 0.20 0.33 0.13 0.21 0.00 0.00 0.00 175.10 175.98 2k78 s ASN 73 N 1.38 6.22 -0.22 3.32 3.04 -1.16 -2.66 114.94 124.86 2k78 s ASN 73 Ca 0.06 0.24 -0.06 0.00 0.04 0.00 0.00 52.86 53.15 2k78 s ASN 73 Cb -0.15 -2.09 0.02 0.00 -1.54 0.00 0.00 41.25 37.49 2k78 s ASN 73 CO 0.05 0.19 0.11 1.57 -3.04 0.00 0.00 177.10 175.98 2k78 n HIS 74 N 3.46 -3.81 0.52 0.43 -0.00 -0.73 -4.59 115.22 110.51 2k78 n HIS 74 Ca -0.16 1.96 0.10 0.00 0.46 0.00 0.00 57.72 60.08 2k78 n HIS 74 Cb 0.52 -3.66 0.42 0.00 -0.12 0.00 0.00 29.99 27.15 2k78 n HIS 74 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2k78 n SER 75 N 1.28 0.33 0.17 0.26 2.88 -1.24 -2.67 113.62 114.63 2k78 n SER 75 Ca -0.19 0.57 0.04 0.00 -1.33 0.00 0.00 58.87 57.96 2k78 n SER 75 Cb 0.32 -0.65 0.23 0.00 -0.75 0.00 0.00 64.21 63.36 2k78 n SER 75 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2k78 h HIS 76 N 0.00 0.00 0.02 0.66 6.17 -1.91 -3.34 115.15 116.76 2k78 h HIS 76 Ca 0.00 0.00 -0.34 0.00 0.71 0.00 0.00 60.37 60.74 2k78 h HIS 76 Cb 0.36 0.00 -0.05 0.00 2.52 0.00 0.00 27.41 30.24 2k78 h HIS 76 CO 0.00 0.45 -1.91 0.91 0.71 0.00 0.00 177.93 178.08 2k78 n TRP 77 N -3.44 0.63 -3.02 5.26 7.02 -1.09 -4.37 117.44 118.44 2k78 n TRP 77 Ca 0.00 0.23 -0.42 0.00 -1.02 0.00 0.00 57.50 56.29 2k78 n TRP 77 Cb 0.59 -1.07 -0.06 0.00 -2.42 0.00 0.00 31.31 28.36 2k78 n TRP 77 CO 0.00 0.00 0.00 -1.50 -2.02 0.00 0.00 177.69 174.17 2k78 s ILE 78 N -2.46 4.83 -0.20 -0.99 1.10 -1.15 -3.14 121.20 119.19 2k78 s ILE 78 Ca -0.32 0.91 0.19 0.00 -0.51 0.00 0.00 60.65 60.93 2k78 s ILE 78 Cb 0.09 -4.12 -0.01 0.00 0.15 0.00 0.00 42.46 38.58 2k78 s ILE 78 CO 0.59 -0.29 1.08 0.00 -2.11 0.00 0.00 174.94 174.21 2k78 h THR 79 N 5.64 0.33 -1.84 4.00 1.03 -1.57 -3.43 112.91 117.07 2k78 h THR 79 Ca -0.25 -1.58 0.41 0.00 -0.01 0.00 0.00 66.41 64.97 2k78 h THR 79 Cb 1.10 1.91 -0.09 0.00 -1.07 0.00 0.00 68.15 70.00 2k78 h THR 79 CO 0.86 0.19 1.01 -0.83 -0.01 0.00 0.00 175.52 176.74 2k78 s GLY 80 N -4.53 -0.26 0.14 2.99 0.00 -0.94 -4.93 107.32 99.78 2k78 s GLY 80 Ca 0.00 0.29 -0.15 0.00 0.00 0.00 0.00 44.72 44.86 2k78 s GLY 80 CO 0.78 5.74 0.39 -3.16 0.00 0.00 0.00 173.10 176.85 2k78 s MET 81 N -2.01 1.10 -0.04 2.90 0.23 -1.26 -2.48 119.30 117.74 2k78 s MET 81 Ca 0.29 -0.79 -0.23 0.00 -1.03 0.00 0.00 55.69 53.93 2k78 s MET 81 Cb 0.01 0.46 0.05 0.00 -1.53 0.00 0.00 34.83 33.82 2k78 s MET 81 CO -0.03 -0.43 0.51 0.45 -2.03 0.00 0.00 175.02 173.48 2k78 s SER 82 N -2.83 -0.44 -0.01 -1.18 0.15 0.45 -3.32 113.70 106.51 2k78 s SER 82 Ca 0.05 0.44 -0.03 0.00 0.70 0.00 0.00 55.95 57.12 2k78 s SER 82 Cb 0.02 0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2k78 s SER 82 CO -0.10 -0.52 0.05 -0.63 1.20 0.00 0.00 173.24 173.24 2k78 s ILE 83 N -1.20 0.04 0.00 6.45 1.01 -1.05 0.54 121.20 126.99 2k78 s ILE 83 Ca -0.12 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2k78 s ILE 83 Cb -0.02 -0.20 0.00 0.00 0.01 0.00 0.00 42.46 42.24 2k78 s ILE 83 CO 0.07 -0.20 0.00 1.21 0.00 0.00 0.00 174.94 176.02 2k78 n GLU 84 N 2.38 -0.40 -0.13 2.79 2.13 -0.41 -2.67 120.64 124.33 2k78 n GLU 84 Ca -0.17 0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.75 2k78 n GLU 84 Cb 0.58 -3.73 0.00 0.00 0.27 0.00 0.00 31.44 28.56 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 -1.59 0.99 3.18 8.31 0.00 -1.26 -5.05 105.19 109.77 2k78 n GLY 85 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 0.97 0.94 1.61 -3.43 -1.09 -5.14 115.29 107.15 2k78 s HIS 86 Ca 0.00 -1.06 -0.16 0.00 -0.80 0.00 0.00 55.06 53.04 2k78 s HIS 86 Cb 0.00 -0.57 0.23 0.00 -1.43 0.00 0.00 32.58 30.81 2k78 s HIS 86 CO 0.00 -0.30 0.89 1.63 -2.00 0.00 0.00 174.74 174.95 2k78 n LYS 87 N -0.12 -2.44 -3.83 -0.38 5.02 -1.26 -2.54 118.16 112.60 2k78 n LYS 87 Ca -0.08 -1.41 -0.23 0.00 -2.02 0.00 0.00 58.31 54.58 2k78 n LYS 87 Cb 0.63 -1.25 -0.05 0.00 -0.02 0.00 0.00 35.03 34.33 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 -5.00 2.40 -0.18 1.97 1.03 -1.21 -4.62 118.70 113.09 2k78 s GLU 88 Ca 0.56 -1.66 -0.03 0.00 0.03 0.00 0.00 54.97 53.87 2k78 s GLU 88 Cb -0.05 -2.20 -0.02 0.00 -0.80 0.00 0.00 34.13 31.06 2k78 s GLU 88 CO 0.43 -0.14 -0.06 -0.80 -1.33 0.00 0.00 175.26 173.36 2k78 s ASN 89 N -4.02 4.37 -0.51 0.83 0.02 -1.21 -4.95 114.94 109.47 2k78 s ASN 89 Ca 0.44 -0.31 -0.27 0.00 -1.02 0.00 0.00 52.86 51.71 2k78 s ASN 89 Cb -0.00 -1.72 -0.03 0.00 0.02 0.00 0.00 41.25 39.52 2k78 s ASN 89 CO 0.25 0.07 1.95 0.27 0.02 0.00 0.00 177.10 179.66 2k78 s ILE 90 N 0.92 3.32 -0.12 0.60 -5.25 -1.26 -2.76 121.20 116.64 2k78 s ILE 90 Ca -0.01 0.24 0.17 0.00 -0.99 0.00 0.00 60.65 60.05 2k78 s ILE 90 Cb -0.15 -3.68 -0.23 0.00 2.95 0.00 0.00 42.46 41.35 2k78 s ILE 90 CO 0.01 -0.60 0.43 0.00 -1.79 0.00 0.00 174.94 172.99 2k78 n ILE 91 N 7.41 1.27 -3.15 8.37 3.06 -0.95 -4.89 119.36 130.49 2k78 n ILE 91 Ca 0.24 -0.77 0.05 0.00 -2.50 0.00 0.00 62.75 59.77 2k78 n ILE 91 Cb 0.51 -0.63 -0.00 0.00 0.54 0.00 0.00 39.64 40.05 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 -5.62 -1.07 0.19 9.51 0.01 -1.23 -4.97 113.70 110.52 2k78 s SER 92 Ca -0.07 0.17 -0.04 0.00 1.31 0.00 0.00 55.95 57.33 2k78 s SER 92 Cb 0.08 1.70 -0.05 0.00 0.21 0.00 0.00 66.02 67.95 2k78 s SER 92 CO 0.83 -0.20 0.42 -0.75 0.41 0.00 0.00 173.24 173.96 2k78 s LYS 93 N 2.89 3.61 -0.41 12.44 2.20 -1.26 -0.87 119.74 138.33 2k78 s LYS 93 Ca 0.17 -0.12 0.04 0.00 -0.36 0.00 0.00 55.97 55.70 2k78 s LYS 93 Cb -0.07 -2.79 0.17 0.00 -1.51 0.00 0.00 37.83 33.62 2k78 s LYS 93 CO -0.24 0.39 0.38 1.21 -0.36 0.00 0.00 175.35 176.74 2k78 s ASN 94 N -2.76 1.19 0.38 1.43 3.04 0.42 -4.88 114.94 113.75 2k78 s ASN 94 Ca 0.41 -2.47 0.18 0.00 0.04 0.00 0.00 52.86 51.03 2k78 s ASN 94 Cb -0.11 0.10 0.74 0.00 -1.54 0.00 0.00 41.25 40.43 2k78 s ASN 94 CO 0.27 -0.19 1.77 0.71 -3.04 0.00 0.00 177.10 176.62 2k78 h THR 95 N 4.82 0.97 0.24 -5.21 1.35 -1.95 0.64 112.91 113.77 2k78 h THR 95 Ca 0.17 -1.43 -0.01 0.00 -0.55 0.00 0.00 66.41 64.58 2k78 h THR 95 Cb 0.98 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 2k78 h THR 95 CO 0.27 0.36 -0.12 0.00 -0.25 0.00 0.00 175.52 175.79 2k78 h ALA 96 N 1.63 -0.33 -0.50 6.62 0.00 -1.93 -2.87 119.26 121.88 2k78 h ALA 96 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k78 h ALA 96 Cb 0.81 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2k78 h ALA 96 CO 0.05 -0.62 0.00 1.63 0.00 0.00 0.00 179.25 180.31 2k78 n LYS 97 N -5.18 3.80 -3.59 0.00 5.02 -1.21 -4.94 118.16 112.07 2k78 n LYS 97 Ca -0.09 -2.49 -0.28 0.00 -2.02 0.00 0.00 58.31 53.43 2k78 n LYS 97 Cb 0.19 -1.98 0.05 0.00 -0.02 0.00 0.00 35.03 33.27 2k78 n LYS 97 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k78 n ASP 98 N 0.68 -5.65 -3.99 4.39 8.00 -0.44 -4.82 116.55 114.71 2k78 n ASP 98 Ca 0.22 -0.94 -0.10 0.00 0.71 0.00 0.00 54.79 54.68 2k78 n ASP 98 Cb 0.91 -3.76 -0.07 0.00 -0.02 0.00 0.00 41.12 38.18 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 -5.60 1.30 -0.04 -1.24 2.02 0.21 -1.77 118.70 113.58 2k78 s GLU 99 Ca 0.46 -1.25 -0.31 0.00 0.02 0.00 0.00 54.97 53.90 2k78 s GLU 99 Cb -0.14 0.40 0.12 0.00 0.10 0.00 0.00 34.13 34.61 2k78 s GLU 99 CO 0.84 -0.50 1.23 0.50 0.02 0.00 0.00 175.26 177.35 2k78 s ARG 100 N -4.01 0.45 0.03 1.61 3.52 -1.09 0.16 118.95 119.63 2k78 s ARG 100 Ca 0.21 -0.23 -0.02 0.00 -0.13 0.00 0.00 55.73 55.56 2k78 s ARG 100 Cb 0.02 0.16 -0.02 0.00 -1.56 0.00 0.00 34.95 33.56 2k78 s ARG 100 CO 0.04 -0.20 0.02 0.99 -0.81 0.00 0.00 175.30 175.34 2k78 s THR 101 N -2.51 0.14 -0.06 4.11 2.01 -0.05 0.17 115.64 119.45 2k78 s THR 101 Ca 0.13 -1.17 -0.07 0.00 0.31 0.00 0.00 61.69 60.88 2k78 s THR 101 Cb 0.03 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 71.78 2k78 s THR 101 CO -0.04 -0.65 0.19 -0.94 -0.69 0.00 0.00 174.62 172.50 2k78 s SER 102 N -2.02 -0.18 0.12 3.53 1.04 -0.74 -2.23 113.70 113.22 2k78 s SER 102 Ca -0.07 0.33 -0.10 0.00 0.48 0.00 0.00 55.95 56.59 2k78 s SER 102 Cb -0.03 0.38 -0.06 0.00 0.10 0.00 0.00 66.02 66.41 2k78 s SER 102 CO -0.04 -0.10 0.44 -0.70 0.98 0.00 0.00 173.24 173.82 2k78 s GLU 103 N -0.06 3.77 0.06 4.02 2.12 -1.11 -0.49 118.70 127.01 2k78 s GLU 103 Ca -0.02 0.19 0.06 0.00 0.36 0.00 0.00 54.97 55.56 2k78 s GLU 103 Cb -0.02 -2.91 -0.03 0.00 0.26 0.00 0.00 34.13 31.43 2k78 s GLU 103 CO 0.00 0.50 -0.16 -0.06 -0.54 0.00 0.00 175.26 175.00 2k78 s PHE 104 N -1.51 1.35 -0.21 5.30 0.08 -0.22 -3.35 117.98 119.42 2k78 s PHE 104 Ca 0.37 -0.40 -0.07 0.00 0.12 0.00 0.00 56.93 56.95 2k78 s PHE 104 Cb -0.13 -0.78 -0.03 0.00 -0.57 0.00 0.00 43.02 41.51 2k78 s PHE 104 CO 0.20 0.07 0.05 -2.00 -0.10 0.00 0.00 175.22 173.44 2k78 s GLU 105 N -1.46 3.80 0.02 0.44 2.12 -1.26 -2.25 118.70 120.10 2k78 s GLU 105 Ca 0.01 -0.43 -0.15 0.00 0.36 0.00 0.00 54.97 54.77 2k78 s GLU 105 Cb -0.09 -3.21 0.02 0.00 0.26 0.00 0.00 34.13 31.11 2k78 s GLU 105 CO 0.02 0.08 0.32 0.14 -0.54 0.00 0.00 175.26 175.28 2k78 s VAL 106 N 0.89 0.07 -0.48 3.70 -7.23 -1.23 -4.82 120.40 111.29 2k78 s VAL 106 Ca 0.03 -0.56 -0.28 0.00 -1.81 0.00 0.00 61.98 59.36 2k78 s VAL 106 Cb -0.14 -0.79 -0.01 0.00 0.56 0.00 0.00 36.38 36.00 2k78 s VAL 106 CO 0.02 -0.31 1.64 -0.44 -0.31 0.00 0.00 175.10 175.71 2k78 s SER 107 N -1.70 5.87 0.21 4.85 0.01 -1.26 -4.57 113.70 117.09 2k78 s SER 107 Ca -0.09 0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.85 2k78 s SER 107 Cb -0.03 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2k78 s SER 107 CO 0.01 -1.84 0.00 0.29 0.41 0.00 0.00 173.24 172.10 2k78 n LYS 108 N 8.64 -1.36 -3.09 12.44 4.76 -1.26 -4.81 118.16 133.48 2k78 n LYS 108 Ca 0.18 0.89 -0.14 0.00 -2.87 0.00 0.00 58.31 56.38 2k78 n LYS 108 Cb 0.49 -1.66 -0.04 0.00 -1.84 0.00 0.00 35.03 31.98 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 -0.25 -0.41 -0.35 0.05 -1.26 -5.03 118.68 111.43 2k78 s LEU 109 Ca 0.00 -2.14 0.08 0.00 0.05 0.00 0.00 54.13 52.12 2k78 s LEU 109 Cb 0.00 0.89 0.27 0.00 -2.05 0.00 0.00 46.19 45.30 2k78 s LEU 109 CO 0.00 -0.13 0.67 -3.20 -0.55 0.00 0.00 176.35 173.15 2k78 n ASN 110 N 3.16 -0.55 0.00 1.48 4.05 -1.25 -0.79 115.26 121.36 2k78 n ASN 110 Ca 0.21 -2.94 0.00 0.00 0.45 0.00 0.00 54.58 52.30 2k78 n ASN 110 Cb 0.52 0.07 0.00 0.00 1.23 0.00 0.00 39.78 41.59 2k78 n ASN 110 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k78 n GLY 111 N 1.21 -0.86 3.46 8.20 0.00 0.20 -4.93 105.19 112.47 2k78 n GLY 111 Ca 0.18 0.36 -0.16 0.00 0.00 0.00 0.00 46.02 46.40 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 0.91 0.04 1.61 2.36 -1.26 -0.58 119.74 122.83 2k78 s LYS 112 Ca 0.00 0.28 0.02 0.00 -2.55 0.00 0.00 55.97 53.72 2k78 s LYS 112 Cb 0.00 0.43 -0.03 0.00 -1.05 0.00 0.00 37.83 37.18 2k78 s LYS 112 CO 0.00 -0.25 -0.07 0.42 1.55 0.00 0.00 175.35 176.99 2k78 s ILE 113 N -0.93 0.52 0.08 5.43 1.01 -0.55 -4.92 121.20 121.83 2k78 s ILE 113 Ca -0.09 -1.13 -0.30 0.00 0.00 0.00 0.00 60.65 59.12 2k78 s ILE 113 Cb -0.02 -0.66 -0.05 0.00 0.01 0.00 0.00 42.46 41.73 2k78 s ILE 113 CO 0.07 -0.43 1.08 -1.81 0.00 0.00 0.00 174.94 173.86 2k78 s ASP 114 N -1.68 7.26 0.34 3.58 1.11 -1.26 -2.46 116.67 123.56 2k78 s ASP 114 Ca -0.09 1.90 0.06 0.00 0.18 0.00 0.00 52.55 54.61 2k78 s ASP 114 Cb -0.09 -2.58 -0.03 0.00 1.07 0.00 0.00 42.92 41.29 2k78 s ASP 114 CO -0.00 -0.30 0.25 -0.83 1.18 0.00 0.00 175.17 175.47 2k78 s GLY 115 N 0.64 2.38 0.14 0.21 0.00 -1.06 -1.29 107.32 108.33 2k78 s GLY 115 Ca 0.53 -1.89 -0.06 0.00 0.00 0.00 0.00 44.72 43.30 2k78 s GLY 115 CO 0.30 -1.54 0.18 0.54 0.00 0.00 0.00 173.10 172.58 2k78 s LYS 116 N -3.51 1.02 -0.21 2.90 1.02 0.19 -2.91 119.74 118.24 2k78 s LYS 116 Ca 0.37 -1.24 -0.23 0.00 0.02 0.00 0.00 55.97 54.89 2k78 s LYS 116 Cb 0.02 0.32 0.06 0.00 -0.52 0.00 0.00 37.83 37.72 2k78 s LYS 116 CO 0.25 -0.34 0.64 -1.50 -0.92 0.00 0.00 175.35 173.48 2k78 s ILE 117 N -3.98 0.00 0.12 2.17 -1.16 0.19 0.17 121.20 118.71 2k78 s ILE 117 Ca 0.18 -0.02 0.03 0.00 -0.51 0.00 0.00 60.65 60.33 2k78 s ILE 117 Cb 0.05 -0.90 -0.04 0.00 0.61 0.00 0.00 42.46 42.18 2k78 s ILE 117 CO -0.01 -0.01 0.14 -1.81 -2.81 0.00 0.00 174.94 170.44 2k78 s ASP 118 N 0.10 5.74 0.12 4.50 1.11 -1.04 -0.34 116.67 126.86 2k78 s ASP 118 Ca -0.02 0.01 0.06 0.00 0.18 0.00 0.00 52.55 52.78 2k78 s ASP 118 Cb -0.04 -1.59 -0.04 0.00 1.07 0.00 0.00 42.92 42.33 2k78 s ASP 118 CO 0.02 0.12 -0.15 -0.69 1.18 0.00 0.00 175.17 175.65 2k78 s VAL 119 N -1.58 1.39 -0.28 -1.27 1.01 -0.81 -1.75 120.40 117.11 2k78 s VAL 119 Ca 0.31 -1.70 0.01 0.00 0.00 0.00 0.00 61.98 60.60 2k78 s VAL 119 Cb -0.11 -1.54 0.15 0.00 0.00 0.00 0.00 36.38 34.88 2k78 s VAL 119 CO 0.24 -0.37 0.39 -0.47 0.00 0.00 0.00 175.10 174.89 2k78 s TYR 120 N -2.01 -0.92 0.08 5.22 5.04 -1.19 -2.62 117.35 120.95 2k78 s TYR 120 Ca 0.09 0.41 0.04 0.00 -2.44 0.00 0.00 57.07 55.16 2k78 s TYR 120 Cb -0.06 -0.14 -0.03 0.00 0.35 0.00 0.00 41.96 42.08 2k78 s TYR 120 CO 0.03 -0.92 -0.10 0.42 -1.34 0.00 0.00 175.55 173.64 2k78 s ILE 121 N 2.53 0.86 -0.34 3.14 1.01 0.86 -4.56 121.20 124.69 2k78 s ILE 121 Ca 0.10 -1.43 0.07 0.00 0.00 0.00 0.00 60.65 59.39 2k78 s ILE 121 Cb -0.13 -1.11 0.19 0.00 0.01 0.00 0.00 42.46 41.42 2k78 s ILE 121 CO -0.27 -0.45 0.62 1.51 0.00 0.00 0.00 174.94 176.35 2k78 s ASP 122 N -2.08 -1.57 0.00 3.58 1.47 -1.26 0.05 116.67 116.87 2k78 s ASP 122 Ca -0.00 -0.25 0.00 0.00 1.18 0.00 0.00 52.55 53.48 2k78 s ASP 122 Cb -0.06 1.98 0.00 0.00 -0.34 0.00 0.00 42.92 44.50 2k78 s ASP 122 CO 0.00 -0.24 0.00 -1.84 0.68 0.00 0.00 175.17 173.78 2k78 n GLU 123 N 4.95 0.00 -4.16 2.11 0.28 -1.17 -5.01 120.64 117.64 2k78 n GLU 123 Ca 0.08 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.77 2k78 n GLU 123 Cb 0.55 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 33.26 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 1.36 2.62 -0.92 3.44 1.02 -1.26 -0.70 119.74 125.30 2k78 s LYS 124 Ca 0.00 -0.69 -0.24 0.00 0.02 0.00 0.00 55.97 55.06 2k78 s LYS 124 Cb 0.00 -2.29 0.02 0.00 -0.52 0.00 0.00 37.83 35.04 2k78 s LYS 124 CO 0.00 -0.19 1.57 0.08 -0.92 0.00 0.00 175.35 175.89 2k78 s VAL 125 N 1.30 3.74 -1.25 3.17 1.01 -0.17 -3.95 120.40 124.25 2k78 s VAL 125 Ca 0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2k78 s VAL 125 Cb -0.13 -4.71 0.01 0.00 0.00 0.00 0.00 36.38 31.55 2k78 s VAL 125 CO -0.10 -1.62 0.15 -3.20 0.00 0.00 0.00 175.10 170.32 2k78 n ASN 126 N 10.42 -4.39 0.00 3.32 4.05 -1.26 -2.72 115.26 124.68 2k78 n ASN 126 Ca 0.29 0.02 0.00 0.00 0.45 0.00 0.00 54.58 55.34 2k78 n ASN 126 Cb 0.50 -3.67 0.00 0.00 1.23 0.00 0.00 39.78 37.83 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 -0.97 1.44 2.58 8.20 0.00 -1.25 -5.09 105.19 110.10 2k78 n GLY 127 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.24 0.77 0.19 1.61 1.02 -1.10 -5.09 119.74 116.90 2k78 s LYS 128 Ca 0.00 -1.39 -0.32 0.00 0.02 0.00 0.00 55.97 54.27 2k78 s LYS 128 Cb 0.00 -0.97 -0.12 0.00 -0.52 0.00 0.00 37.83 36.22 2k78 s LYS 128 CO 0.00 -1.28 1.72 -0.35 -0.92 0.00 0.00 175.35 174.52 2k78 n PRO 129 N 3.57 2.71 -3.68 -1.68 -0.04 -1.26 -1.00 135.00 133.62 2k78 n PRO 129 Ca 0.19 0.98 -0.14 0.00 -0.04 0.00 0.00 63.50 64.49 2k78 n PRO 129 Cb 0.46 -2.82 -0.08 0.00 -0.04 0.00 0.00 33.50 31.02 2k78 n PRO 129 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2k78 s PHE 130 N 1.31 -0.64 -0.16 0.54 -0.71 0.12 -4.94 117.98 113.50 2k78 s PHE 130 Ca 0.76 1.56 -0.06 0.00 -1.04 0.00 0.00 56.93 58.16 2k78 s PHE 130 Cb -0.52 0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.47 2k78 s PHE 130 CO 0.33 -0.31 0.03 0.21 -1.34 0.00 0.00 175.22 174.15 2k78 s LYS 131 N 0.33 3.73 -0.05 1.99 2.20 -1.26 -3.02 119.74 123.65 2k78 s LYS 131 Ca -0.00 -0.39 0.02 0.00 -0.36 0.00 0.00 55.97 55.24 2k78 s LYS 131 Cb -0.04 -3.07 0.02 0.00 -1.51 0.00 0.00 37.83 33.22 2k78 s LYS 131 CO 0.01 0.35 -0.08 -0.47 -0.36 0.00 0.00 175.35 174.79 2k78 s TYR 132 N 0.11 1.11 -0.33 4.03 5.04 0.11 -4.97 117.35 122.45 2k78 s TYR 132 Ca 0.03 -0.37 -0.08 0.00 -2.44 0.00 0.00 57.07 54.21 2k78 s TYR 132 Cb -0.13 -0.87 0.19 0.00 0.35 0.00 0.00 41.96 41.50 2k78 s TYR 132 CO 0.01 -0.23 1.01 0.34 -1.34 0.00 0.00 175.55 175.35 2k78 s ASP 133 N 0.77 -0.43 0.00 4.32 2.15 -1.25 -0.10 116.67 122.14 2k78 s ASP 133 Ca -0.13 -0.23 0.00 0.00 0.43 0.00 0.00 52.55 52.62 2k78 s ASP 133 Cb -0.15 0.55 0.00 0.00 -0.30 0.00 0.00 42.92 43.02 2k78 s ASP 133 CO 0.02 -0.05 0.00 1.57 -0.17 0.00 0.00 175.17 176.54 2k78 n HIS 134 N 3.71 -0.54 -3.88 -5.34 -0.00 -1.08 -4.99 115.22 103.11 2k78 n HIS 134 Ca 0.06 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.95 2k78 n HIS 134 Cb 0.63 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.37 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 -5.82 3.08 0.81 1.57 0.09 -1.26 -1.92 115.29 111.82 2k78 s HIS 135 Ca 0.00 -3.10 -0.09 0.00 -0.00 0.00 0.00 55.06 51.87 2k78 s HIS 135 Cb 0.00 -2.57 0.18 0.00 -0.00 0.00 0.00 32.58 30.19 2k78 s HIS 135 CO 0.00 -0.68 1.10 0.66 -0.00 0.00 0.00 174.74 175.82 2k78 n TYR 136 N 2.73 -3.59 -3.99 1.40 4.01 0.54 -4.82 117.16 113.43 2k78 n TYR 136 Ca 0.12 -1.30 -0.09 0.00 -0.16 0.00 0.00 57.90 56.47 2k78 n TYR 136 Cb 0.34 -0.83 -0.06 0.00 -0.31 0.00 0.00 39.34 38.48 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 -5.18 -0.06 0.32 7.72 2.20 -1.26 0.54 114.94 119.22 2k78 s ASN 137 Ca 0.66 -0.93 -0.16 0.00 -0.94 0.00 0.00 52.86 51.48 2k78 s ASN 137 Cb -0.02 0.55 0.03 0.00 -2.00 0.00 0.00 41.25 39.80 2k78 s ASN 137 CO 0.45 -1.07 0.69 0.27 -2.94 0.00 0.00 177.10 174.50 2k78 s ILE 138 N -4.01 0.00 0.46 0.54 -4.36 -1.14 -4.49 121.20 108.19 2k78 s ILE 138 Ca 0.22 -1.11 -0.01 0.00 -0.26 0.00 0.00 60.65 59.50 2k78 s ILE 138 Cb 0.01 -2.38 -0.01 0.00 1.25 0.00 0.00 42.46 41.32 2k78 s ILE 138 CO 0.07 0.00 0.69 -0.89 0.24 0.00 0.00 174.94 175.06 2k78 s THR 139 N -3.31 4.16 -0.28 8.37 2.01 -0.79 -2.58 115.64 123.22 2k78 s THR 139 Ca 0.16 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.75 2k78 s THR 139 Cb -0.04 -3.55 0.11 0.00 0.01 0.00 0.00 72.50 69.02 2k78 s THR 139 CO 0.10 -0.42 0.17 -0.31 -0.69 0.00 0.00 174.62 173.47 2k78 s TYR 140 N -2.60 0.12 -0.50 4.92 2.02 -1.03 -2.77 117.35 117.52 2k78 s TYR 140 Ca 0.48 -0.68 -0.27 0.00 -0.37 0.00 0.00 57.07 56.23 2k78 s TYR 140 Cb -0.10 -0.78 0.03 0.00 -0.40 0.00 0.00 41.96 40.71 2k78 s TYR 140 CO 0.39 -0.84 1.05 0.15 -1.57 0.00 0.00 175.55 174.73 2k78 s LYS 141 N 2.17 3.58 0.03 -0.62 1.02 0.55 -1.48 119.74 124.98 2k78 s LYS 141 Ca 0.09 0.28 -0.16 0.00 0.02 0.00 0.00 55.97 56.20 2k78 s LYS 141 Cb -0.15 -3.95 -0.06 0.00 -0.52 0.00 0.00 37.83 33.15 2k78 s LYS 141 CO -0.35 -1.39 0.46 -0.06 -0.92 0.00 0.00 175.35 173.09 2k78 s PHE 142 N 4.24 3.73 -0.36 3.18 0.08 0.26 -0.34 117.98 128.76 2k78 s PHE 142 Ca 0.41 1.06 0.01 0.00 0.12 0.00 0.00 56.93 58.53 2k78 s PHE 142 Cb -0.09 -2.34 0.11 0.00 -0.57 0.00 0.00 43.02 40.14 2k78 s PHE 142 CO 0.28 0.61 0.15 -0.80 -0.10 0.00 0.00 175.22 175.35 2k78 s ASN 143 N -1.17 3.97 0.00 1.36 0.01 0.42 0.62 114.94 120.15 2k78 s ASN 143 Ca 0.26 -2.09 0.00 0.00 -0.71 0.00 0.00 52.86 50.33 2k78 s ASN 143 Cb -0.17 -1.02 0.00 0.00 0.41 0.00 0.00 41.25 40.47 2k78 s ASN 143 CO 0.15 -0.35 0.00 0.61 -1.51 0.00 0.00 177.10 176.00 2k78 n GLY 144 N 4.27 4.42 3.77 0.66 0.00 0.03 -2.63 105.19 115.70 2k78 n GLY 144 Ca 0.03 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 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 1.73 4.18 -0.10 1.61 0.04 -1.26 -4.70 135.00 136.50 2k78 s PRO 145 Ca 0.00 2.46 0.01 0.00 0.04 0.00 0.00 61.00 63.51 2k78 s PRO 145 Cb 0.00 -3.01 -0.25 0.00 0.04 0.00 0.00 34.50 31.28 2k78 s PRO 145 CO 0.00 -0.45 0.42 2.41 0.04 0.00 0.00 177.00 179.43 2k78 n THR 146 N 0.85 1.70 -2.50 1.26 -1.04 -1.26 -4.34 114.28 108.94 2k78 n THR 146 Ca 0.02 -0.71 0.00 0.00 -2.04 0.00 0.00 64.05 61.32 2k78 n THR 146 Cb 0.40 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 2k78 n THR 146 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2k78 n ASP 147 N -3.30 0.31 -2.84 8.00 8.00 -1.26 -4.97 116.55 120.49 2k78 n ASP 147 Ca -0.28 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.18 2k78 n ASP 147 Cb 1.05 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 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 0.00-10.43 0.17 2.53 0.31 -1.26 -4.90 118.33 104.75 2k78 n VAL 148 Ca 0.00 1.39 0.08 0.00 -0.01 0.00 0.00 64.34 65.80 2k78 n VAL 148 Cb 0.00 -6.48 0.08 0.00 -0.91 0.00 0.00 33.84 26.53 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 2.80 0.81 0.00 3.52 0.00 -2.01 -3.51 119.26 120.86 2k78 h ALA 149 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k78 h ALA 149 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k78 h ALA 149 CO 0.12 0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.07