#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 2.71 -1.09 7.33 0.00 -1.26 -4.77 121.76 124.68 2k78 s ALA 26 Ca 0.00 -2.70 -0.07 0.00 0.00 0.00 0.00 51.96 49.19 2k78 s ALA 26 Cb 0.00 -1.98 0.01 0.00 0.00 0.00 0.00 23.12 21.15 2k78 s ALA 26 CO 0.00 -1.88 0.95 -1.71 0.00 0.00 0.00 175.76 173.12 2k78 n ASN 27 N 3.77 -5.51 -3.88 0.00 2.85 -1.26 -5.01 115.26 106.22 2k78 n ASN 27 Ca 0.05 -0.43 -0.11 0.00 -0.11 0.00 0.00 54.58 53.97 2k78 n ASN 27 Cb 0.37 -4.14 -0.10 0.00 1.24 0.00 0.00 39.78 37.15 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 -3.26 -0.29 0.00 5.20 0.00 -1.26 -5.06 121.76 117.09 2k78 s ALA 28 Ca 0.47 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2k78 s ALA 28 Cb -0.21 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.03 2k78 s ALA 28 CO 0.59 -0.21 0.00 0.00 0.00 0.00 0.00 175.76 176.14 2k78 n ALA 29 N 1.43 0.00 -2.25 0.00 0.00 -1.26 -4.15 120.51 114.29 2k78 n ALA 29 Ca -0.23 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.05 2k78 n ALA 29 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 2k78 n ALA 29 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k78 n ASP 30 N -1.86 -4.61 -3.64 0.00 8.00 -1.26 -4.84 116.55 108.33 2k78 n ASP 30 Ca 0.00 0.16 -0.07 0.00 0.71 0.00 0.00 54.79 55.60 2k78 n ASP 30 Cb 0.00 -3.93 -0.07 0.00 -0.02 0.00 0.00 41.12 37.10 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 -0.91 0.13 -2.24 0.15 -1.26 0.13 113.70 107.61 2k78 s SER 31 Ca 0.00 1.45 -0.24 0.00 0.70 0.00 0.00 55.95 57.87 2k78 s SER 31 Cb 0.00 1.37 0.08 0.00 -1.71 0.00 0.00 66.02 65.77 2k78 s SER 31 CO 0.00 -0.23 1.11 -0.83 1.20 0.00 0.00 173.24 174.49 2k78 s GLY 32 N 1.61 0.05 -0.44 9.45 0.00 -0.31 -4.98 107.32 112.70 2k78 s GLY 32 Ca -0.10 -0.23 -0.23 0.00 0.00 0.00 0.00 44.72 44.16 2k78 s GLY 32 CO -0.19 3.40 0.77 -0.51 0.00 0.00 0.00 173.10 176.56 2k78 s THR 33 N -2.11 4.68 0.12 0.90 -4.23 -1.26 0.32 115.64 114.06 2k78 s THR 33 Ca 0.24 0.46 -0.06 0.00 -1.18 0.00 0.00 61.69 61.15 2k78 s THR 33 Cb -0.02 -4.29 -0.06 0.00 1.34 0.00 0.00 72.50 69.47 2k78 s THR 33 CO 0.04 -0.66 0.37 -0.22 -0.54 0.00 0.00 174.62 173.61 2k78 s LEU 34 N 3.21 4.29 0.11 4.79 0.20 0.68 -4.89 118.68 127.06 2k78 s LEU 34 Ca 0.29 0.63 -0.30 0.00 0.69 0.00 0.00 54.13 55.44 2k78 s LEU 34 Cb -0.12 -3.20 -0.06 0.00 -0.43 0.00 0.00 46.19 42.38 2k78 s LEU 34 CO 0.21 0.09 0.99 0.20 -0.29 0.00 0.00 176.35 177.55 2k78 s ASN 35 N -2.24 7.44 0.13 3.68 -0.87 -1.09 -2.58 114.94 119.42 2k78 s ASN 35 Ca 0.38 1.83 -0.25 0.00 -1.57 0.00 0.00 52.86 53.25 2k78 s ASN 35 Cb -0.13 -2.59 0.07 0.00 -0.02 0.00 0.00 41.25 38.58 2k78 s ASN 35 CO 0.23 -0.12 0.93 -0.72 -2.57 0.00 0.00 177.10 174.85 2k78 s TYR 36 N 0.08 -0.18 0.11 2.20 1.13 -1.26 0.15 117.35 119.58 2k78 s TYR 36 Ca 0.48 -0.10 -0.03 0.00 -1.41 0.00 0.00 57.07 56.01 2k78 s TYR 36 Cb -0.24 0.62 0.01 0.00 -1.10 0.00 0.00 41.96 41.25 2k78 s TYR 36 CO 0.30 -0.80 0.20 -1.91 -2.51 0.00 0.00 175.55 170.84 2k78 n GLU 37 N -0.43 0.29 -3.58 -3.49 2.13 -1.11 -4.81 120.64 109.65 2k78 n GLU 37 Ca -0.07 -0.73 -0.26 0.00 0.66 0.00 0.00 57.16 56.77 2k78 n GLU 37 Cb 0.61 0.82 -0.16 0.00 0.27 0.00 0.00 31.44 32.98 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 -2.67 -0.12 0.44 6.31 -7.23 -1.26 -2.81 120.40 113.05 2k78 s VAL 38 Ca 0.06 -0.29 -0.02 0.00 -1.81 0.00 0.00 61.98 59.93 2k78 s VAL 38 Cb -0.01 -0.68 -0.02 0.00 0.56 0.00 0.00 36.38 36.23 2k78 s VAL 38 CO 0.05 -0.37 0.69 -0.31 -0.31 0.00 0.00 175.10 174.84 2k78 s TYR 39 N 2.16 3.44 0.27 2.82 2.02 -1.25 -4.42 117.35 122.39 2k78 s TYR 39 Ca 0.04 0.51 -0.29 0.00 -0.37 0.00 0.00 57.07 56.95 2k78 s TYR 39 Cb -0.16 -2.20 -0.10 0.00 -0.40 0.00 0.00 41.96 39.11 2k78 s TYR 39 CO -0.16 -0.20 1.32 0.21 -1.57 0.00 0.00 175.55 175.15 2k78 s LYS 40 N -4.57 4.37 0.50 -0.62 2.47 -1.22 -2.27 119.74 118.40 2k78 s LYS 40 Ca 0.45 2.16 -0.23 0.00 -1.56 0.00 0.00 55.97 56.80 2k78 s LYS 40 Cb -0.10 -3.12 -0.06 0.00 -1.46 0.00 0.00 37.83 33.09 2k78 s LYS 40 CO 0.40 -0.23 1.33 -0.47 0.16 0.00 0.00 175.35 176.55 2k78 s TYR 41 N -0.55 2.45 0.00 4.03 5.04 -1.26 -1.77 117.35 125.28 2k78 s TYR 41 Ca 0.53 1.38 0.00 0.00 -2.44 0.00 0.00 57.07 56.54 2k78 s TYR 41 Cb -0.39 -3.74 0.00 0.00 0.35 0.00 0.00 41.96 38.18 2k78 s TYR 41 CO 0.46 -2.62 0.00 -1.71 -1.34 0.00 0.00 175.55 170.34 2k78 n ASN 42 N -0.71 -1.55 -1.29 4.32 5.15 -1.26 -4.93 115.26 115.00 2k78 n ASN 42 Ca 0.08 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 54.04 2k78 n ASN 42 Cb 0.45 -1.46 -0.01 0.00 -0.53 0.00 0.00 39.78 38.23 2k78 n ASN 42 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2k78 n THR 43 N -2.18 0.00 -1.93 -0.44 -2.24 -0.73 -5.07 114.28 101.69 2k78 n THR 43 Ca 0.00 -0.27 0.03 0.00 -2.27 0.00 0.00 64.05 61.54 2k78 n THR 43 Cb 0.08 0.13 0.05 0.00 -2.10 0.00 0.00 70.33 68.49 2k78 n THR 43 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2k78 n ASN 44 N -2.79 0.83 -3.78 3.42 0.23 -1.26 -4.62 115.26 107.29 2k78 n ASN 44 Ca 0.01 -2.37 -0.22 0.00 -0.53 0.00 0.00 54.58 51.47 2k78 n ASN 44 Cb 0.07 -0.30 -0.17 0.00 -2.08 0.00 0.00 39.78 37.30 2k78 n ASN 44 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2k78 s ASP 45 N -1.79 1.45 -0.00 0.53 2.15 -1.26 -4.91 116.67 112.84 2k78 s ASP 45 Ca 0.18 -0.08 -0.37 0.00 0.43 0.00 0.00 52.55 52.71 2k78 s ASP 45 Cb 0.18 -0.42 -0.16 0.00 -0.30 0.00 0.00 42.92 42.22 2k78 s ASP 45 CO -0.04 -0.18 1.52 0.35 -0.17 0.00 0.00 175.17 176.64 2k78 n THR 46 N 4.99 0.12 0.00 1.71 -2.24 -1.26 -3.42 114.28 114.18 2k78 n THR 46 Ca -0.10 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2k78 n THR 46 Cb 0.50 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 2k78 n THR 46 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2k78 n SER 47 N 3.66 2.38 0.00 3.42 2.88 -1.26 -4.87 113.62 119.83 2k78 n SER 47 Ca 0.20 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 2k78 n SER 47 Cb 0.20 0.51 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 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 -0.19 2.46 -0.00 -1.26 -4.87 119.36 114.76 2k78 n ILE 48 Ca 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 62.75 63.04 2k78 n ILE 48 Cb 0.00 -0.02 0.61 0.00 -0.00 0.00 0.00 39.64 40.24 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 2.82 0.00 -1.39 0.00 -1.96 0.44 119.26 119.18 2k78 h ALA 49 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k78 h ALA 49 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k78 h ALA 49 CO 0.00 -1.46 0.00 -2.95 0.00 0.00 0.00 179.25 174.84 2k78 h ASN 50 N 0.00 0.00 -0.60 0.00 7.08 -1.90 -0.79 115.58 119.38 2k78 h ASN 50 Ca 0.46 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.68 2k78 h ASN 50 Cb 2.38 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.62 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 -2.37 4.68 -0.02 6.14 8.00 0.16 -4.28 116.55 128.86 2k78 n ASP 51 Ca -0.01 -2.50 0.00 0.00 0.71 0.00 0.00 54.79 52.99 2k78 n ASP 51 Cb 0.06 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 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 0.95 0.00 -3.81 1.24 4.02 -0.31 -5.04 117.16 114.21 2k78 n TYR 52 Ca 0.25 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.87 2k78 n TYR 52 Cb 0.89 -0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 40.04 2k78 n TYR 52 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2k78 s PHE 53 N 0.00 1.33 0.83 -0.72 0.08 -1.14 -2.81 117.98 115.55 2k78 s PHE 53 Ca 0.00 -0.92 -0.11 0.00 0.12 0.00 0.00 56.93 56.02 2k78 s PHE 53 Cb 0.00 -1.14 0.09 0.00 -0.57 0.00 0.00 43.02 41.40 2k78 s PHE 53 CO 0.00 -0.59 1.09 -0.80 -0.10 0.00 0.00 175.22 174.83 2k78 s ASN 54 N 1.76 4.11 0.11 1.36 -0.87 -1.26 -4.95 114.94 115.20 2k78 s ASN 54 Ca 0.00 1.41 -0.08 0.00 -1.57 0.00 0.00 52.86 52.62 2k78 s ASN 54 Cb -0.16 -2.12 -0.01 0.00 -0.02 0.00 0.00 41.25 38.94 2k78 s ASN 54 CO -0.07 -2.22 0.20 -0.54 -2.57 0.00 0.00 177.10 171.90 2k78 s LYS 55 N -5.05 0.92 0.54 -0.60 3.01 -1.26 -4.61 119.74 112.69 2k78 s LYS 55 Ca 0.62 -1.05 -0.09 0.00 -1.01 0.00 0.00 55.97 54.44 2k78 s LYS 55 Cb -0.16 0.34 0.12 0.00 -1.01 0.00 0.00 37.83 37.13 2k78 s LYS 55 CO 0.55 -0.30 0.73 -0.35 0.51 0.00 0.00 175.35 176.49 2k78 n PRO 56 N -0.10 -0.73 -3.43 -1.68 -0.04 -1.26 -5.14 135.00 122.62 2k78 n PRO 56 Ca -0.13 -1.13 -0.19 0.00 -0.04 0.00 0.00 63.50 62.01 2k78 n PRO 56 Cb 0.63 -0.76 -0.01 0.00 -0.04 0.00 0.00 33.50 33.32 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 -3.98 4.23 -0.32 0.55 0.00 -1.06 -4.92 121.76 116.27 2k78 s ALA 57 Ca 0.41 -1.54 -0.11 0.00 0.00 0.00 0.00 51.96 50.72 2k78 s ALA 57 Cb -0.01 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.52 2k78 s ALA 57 CO 0.29 -0.08 0.18 0.21 0.00 0.00 0.00 175.76 176.36 2k78 s LYS 58 N -4.18 3.45 0.37 0.00 2.20 -1.14 -0.23 119.74 120.20 2k78 s LYS 58 Ca 0.46 -0.66 0.04 0.00 -0.36 0.00 0.00 55.97 55.45 2k78 s LYS 58 Cb -0.09 -3.65 -0.01 0.00 -1.51 0.00 0.00 37.83 32.57 2k78 s LYS 58 CO 0.31 -0.40 0.54 1.52 -0.36 0.00 0.00 175.35 176.95 2k78 s TYR 59 N 1.66 3.23 -0.02 4.03 1.13 0.15 0.11 117.35 127.64 2k78 s TYR 59 Ca 0.05 0.01 -0.23 0.00 -1.41 0.00 0.00 57.07 55.50 2k78 s TYR 59 Cb -0.17 -2.05 0.05 0.00 -1.10 0.00 0.00 41.96 38.69 2k78 s TYR 59 CO 0.08 -0.07 0.50 -1.50 -2.51 0.00 0.00 175.55 172.05 2k78 s ILE 60 N -2.30 0.03 0.31 -3.49 2.07 -1.04 -1.16 121.20 115.62 2k78 s ILE 60 Ca 0.44 -0.24 0.03 0.00 -1.41 0.00 0.00 60.65 59.47 2k78 s ILE 60 Cb -0.10 -0.85 -0.04 0.00 0.13 0.00 0.00 42.46 41.60 2k78 s ILE 60 CO 0.34 -0.13 0.14 -0.54 -1.91 0.00 0.00 174.94 172.83 2k78 s LYS 61 N -1.51 1.61 -0.45 3.50 1.02 0.35 0.15 119.74 124.42 2k78 s LYS 61 Ca -0.11 -1.92 0.07 0.00 0.02 0.00 0.00 55.97 54.03 2k78 s LYS 61 Cb -0.02 -0.22 0.31 0.00 -0.52 0.00 0.00 37.83 37.37 2k78 s LYS 61 CO 0.05 -0.42 0.99 1.63 -0.92 0.00 0.00 175.35 176.68 2k78 n LYS 62 N -0.61 0.95 -2.94 1.68 5.02 0.71 -4.72 118.16 118.25 2k78 n LYS 62 Ca -0.00 -2.18 -0.07 0.00 -2.02 0.00 0.00 58.31 54.04 2k78 n LYS 62 Cb 0.65 -1.23 0.01 0.00 -0.02 0.00 0.00 35.03 34.44 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 0.64 -7.45 0.00 4.39 4.13 -1.26 -4.11 115.26 111.60 2k78 n ASN 63 Ca 0.10 0.80 0.00 0.00 1.68 0.00 0.00 54.58 57.16 2k78 n ASN 63 Cb 0.67 -4.24 0.00 0.00 -1.54 0.00 0.00 39.78 34.67 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 0.41 0.59 3.52 7.41 0.00 -1.26 -5.04 105.19 110.83 2k78 n GLY 64 Ca 0.02 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.19 0.93 -0.16 1.61 -2.85 -1.26 -5.11 119.74 110.71 2k78 s LYS 65 Ca 0.00 -0.37 -0.33 0.00 -1.00 0.00 0.00 55.97 54.27 2k78 s LYS 65 Cb 0.00 0.41 0.13 0.00 -2.06 0.00 0.00 37.83 36.32 2k78 s LYS 65 CO 0.00 -0.41 1.13 -0.48 0.10 0.00 0.00 175.35 175.69 2k78 s LEU 66 N -2.57 -0.20 0.00 2.77 2.34 -1.26 -0.21 118.68 119.55 2k78 s LEU 66 Ca 0.05 0.05 0.00 0.00 0.06 0.00 0.00 54.13 54.29 2k78 s LEU 66 Cb -0.01 1.55 0.00 0.00 -0.56 0.00 0.00 46.19 47.17 2k78 s LEU 66 CO -0.08 -0.31 0.00 -1.22 -1.06 0.00 0.00 176.35 173.68 2k78 n TYR 67 N 0.02 0.00 -3.64 3.48 4.02 0.12 -3.25 117.16 117.91 2k78 n TYR 67 Ca -0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.81 2k78 n TYR 67 Cb 0.59 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.84 2k78 n TYR 67 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2k78 s VAL 68 N 0.28 0.00 -0.14 -0.72 1.01 0.11 -2.49 120.40 118.45 2k78 s VAL 68 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 2k78 s VAL 68 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 2k78 s VAL 68 CO 0.00 0.00 0.24 0.00 0.00 0.00 0.00 175.10 175.34 2k78 s GLN 69 N 0.73 4.01 -0.00 2.72 -2.07 0.12 0.75 119.66 125.92 2k78 s GLN 69 Ca -0.02 0.03 0.05 0.00 -1.82 0.00 0.00 55.36 53.59 2k78 s GLN 69 Cb -0.04 -3.34 -0.03 0.00 -1.09 0.00 0.00 33.01 28.50 2k78 s GLN 69 CO -0.11 0.43 -0.14 -1.50 -1.32 0.00 0.00 175.29 172.65 2k78 s ILE 70 N -0.10 3.09 -0.10 3.63 1.10 0.76 -2.90 121.20 126.68 2k78 s ILE 70 Ca 0.15 -0.91 -0.21 0.00 -0.51 0.00 0.00 60.65 59.17 2k78 s ILE 70 Cb -0.13 -2.28 -0.04 0.00 0.15 0.00 0.00 42.46 40.17 2k78 s ILE 70 CO 0.04 0.45 0.59 -0.89 -2.11 0.00 0.00 174.94 173.02 2k78 s THR 71 N -0.87 5.11 -0.20 4.00 2.01 -1.26 -1.60 115.64 122.83 2k78 s THR 71 Ca 0.14 1.20 -0.08 0.00 0.31 0.00 0.00 61.69 63.26 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 0.04 0.28 0.07 -0.69 -0.69 0.00 0.00 174.62 173.63 2k78 s VAL 72 N 0.79 4.70 -0.14 3.82 1.01 0.43 -4.15 120.40 126.86 2k78 s VAL 72 Ca 0.32 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.16 2k78 s VAL 72 Cb -0.16 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2k78 s VAL 72 CO 0.14 0.42 0.14 0.21 0.00 0.00 0.00 175.10 176.01 2k78 s ASN 73 N 0.71 6.35 -0.14 3.32 3.84 -1.12 -1.80 114.94 126.10 2k78 s ASN 73 Ca 0.04 0.42 -0.05 0.00 0.21 0.00 0.00 52.86 53.47 2k78 s ASN 73 Cb -0.13 -2.07 0.02 0.00 -0.55 0.00 0.00 41.25 38.51 2k78 s ASN 73 CO 0.02 0.36 0.11 1.41 -2.79 0.00 0.00 177.10 176.21 2k78 n HIS 74 N 2.30 -2.73 0.10 0.43 8.25 -0.92 -4.57 115.22 118.08 2k78 n HIS 74 Ca -0.19 1.48 -0.05 0.00 -0.26 0.00 0.00 57.72 58.70 2k78 n HIS 74 Cb 0.54 -2.86 0.09 0.00 1.12 0.00 0.00 29.99 28.89 2k78 n HIS 74 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2k78 h SER 75 N 4.09 0.16 -0.84 0.41 0.02 -1.80 -2.74 113.55 112.84 2k78 h SER 75 Ca -0.24 -0.11 0.11 0.00 -0.84 0.00 0.00 61.79 60.71 2k78 h SER 75 Cb 0.68 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.11 2k78 h SER 75 CO 0.02 0.80 0.54 -0.74 -1.14 0.00 0.00 176.83 176.32 2k78 h HIS 76 N 0.09 0.81 0.00 3.45 6.17 -1.91 -2.94 115.15 120.82 2k78 h HIS 76 Ca -0.01 0.02 -0.08 0.00 0.71 0.00 0.00 60.37 61.01 2k78 h HIS 76 Cb 1.23 -0.26 -0.01 0.00 2.52 0.00 0.00 27.41 30.89 2k78 h HIS 76 CO 0.01 0.35 -0.44 -1.49 0.71 0.00 0.00 177.93 177.08 2k78 h TRP 77 N 0.73 0.00 -3.41 5.26 4.06 -1.77 -3.40 115.95 117.43 2k78 h TRP 77 Ca 0.40 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.76 2k78 h TRP 77 Cb 0.53 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.60 2k78 h TRP 77 CO -0.00 1.08 0.05 -1.50 -3.56 0.00 0.00 178.44 174.50 2k78 s ILE 78 N -2.23 5.07 0.00 1.49 2.07 -1.04 -3.03 121.20 123.53 2k78 s ILE 78 Ca -0.21 1.14 0.11 0.00 -1.41 0.00 0.00 60.65 60.28 2k78 s ILE 78 Cb 0.00 -3.92 -0.22 0.00 0.13 0.00 0.00 42.46 38.46 2k78 s ILE 78 CO 0.60 0.17 0.86 0.00 -1.91 0.00 0.00 174.94 174.66 2k78 h THR 79 N 5.05 1.10 0.00 4.00 1.03 -1.65 -3.41 112.91 119.02 2k78 h THR 79 Ca -0.34 -2.90 0.00 0.00 -0.01 0.00 0.00 66.41 63.16 2k78 h THR 79 Cb 1.16 2.54 0.00 0.00 -1.07 0.00 0.00 68.15 70.77 2k78 h THR 79 CO 0.76 0.62 0.00 0.61 -0.01 0.00 0.00 175.52 177.51 2k78 n GLY 80 N 1.49 -1.16 3.57 2.99 0.00 -1.17 -4.99 105.19 105.92 2k78 n GLY 80 Ca -0.12 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.58 1.51 -0.20 1.61 -1.94 -1.26 -2.83 119.30 115.59 2k78 s MET 81 Ca 0.00 -1.21 -0.13 0.00 -1.71 0.00 0.00 55.69 52.65 2k78 s MET 81 Cb 0.00 0.47 0.06 0.00 2.01 0.00 0.00 34.83 37.37 2k78 s MET 81 CO 0.00 -0.63 0.51 -1.12 -0.01 0.00 0.00 175.02 173.77 2k78 s SER 82 N -3.00 -0.64 0.05 3.03 0.01 0.57 -3.17 113.70 110.55 2k78 s SER 82 Ca 0.21 1.09 0.04 0.00 1.31 0.00 0.00 55.95 58.60 2k78 s SER 82 Cb -0.01 0.99 -0.02 0.00 0.21 0.00 0.00 66.02 67.19 2k78 s SER 82 CO 0.07 -0.20 -0.13 -0.63 0.41 0.00 0.00 173.24 172.76 2k78 s ILE 83 N 1.29 1.01 0.00 1.44 1.01 -1.08 0.11 121.20 124.98 2k78 s ILE 83 Ca -0.08 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.50 2k78 s ILE 83 Cb -0.07 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.46 2k78 s ILE 83 CO -0.13 -0.11 0.00 -0.62 0.00 0.00 0.00 174.94 174.08 2k78 n GLU 84 N 1.70 -0.99 -0.54 2.79 -0.58 -1.21 -2.46 120.64 119.35 2k78 n GLU 84 Ca -0.19 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 2k78 n GLU 84 Cb 0.55 -4.22 0.00 0.00 -0.57 0.00 0.00 31.44 27.20 2k78 n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k78 n GLY 85 N -0.76 1.14 3.11 0.62 0.00 -1.26 -5.09 105.19 102.96 2k78 n GLY 85 Ca 0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 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 0.65 0.45 1.61 -3.43 -1.03 -5.16 115.29 106.38 2k78 s HIS 86 Ca 0.00 -1.09 -0.08 0.00 -0.80 0.00 0.00 55.06 53.09 2k78 s HIS 86 Cb 0.00 -0.43 0.11 0.00 -1.43 0.00 0.00 32.58 30.83 2k78 s HIS 86 CO 0.00 -0.38 0.43 1.63 -2.00 0.00 0.00 174.74 174.42 2k78 n LYS 87 N 0.04 -1.62 -3.83 -0.38 4.01 -1.26 -2.63 118.16 112.49 2k78 n LYS 87 Ca -0.12 -0.69 -0.23 0.00 -0.51 0.00 0.00 58.31 56.77 2k78 n LYS 87 Cb 0.62 -0.61 -0.05 0.00 -0.51 0.00 0.00 35.03 34.48 2k78 n LYS 87 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 2k78 s GLU 88 N -3.97 2.38 -0.13 1.97 -1.05 -1.19 -4.64 118.70 112.07 2k78 s GLU 88 Ca 0.27 -1.69 0.01 0.00 -0.15 0.00 0.00 54.97 53.42 2k78 s GLU 88 Cb -0.02 -2.19 -0.00 0.00 -0.44 0.00 0.00 34.13 31.48 2k78 s GLU 88 CO 0.21 -0.16 -0.18 1.21 0.95 0.00 0.00 175.26 177.29 2k78 s ASN 89 N -4.02 3.54 -0.49 0.83 3.04 -1.24 -4.96 114.94 111.63 2k78 s ASN 89 Ca 0.45 -0.48 -0.27 0.00 0.04 0.00 0.00 52.86 52.60 2k78 s ASN 89 Cb 0.00 -1.52 -0.02 0.00 -1.54 0.00 0.00 41.25 38.16 2k78 s ASN 89 CO 0.25 0.12 1.88 0.27 -3.04 0.00 0.00 177.10 176.58 2k78 s ILE 90 N 0.60 3.38 -0.14 -5.21 -4.36 -1.26 -3.19 121.20 111.02 2k78 s ILE 90 Ca -0.10 0.30 0.16 0.00 -0.26 0.00 0.00 60.65 60.75 2k78 s ILE 90 Cb -0.16 -3.75 -0.24 0.00 1.25 0.00 0.00 42.46 39.56 2k78 s ILE 90 CO 0.03 -0.63 0.31 0.00 0.24 0.00 0.00 174.94 174.89 2k78 n ILE 91 N 7.36 1.48 -3.15 8.37 3.06 -1.11 -4.92 119.36 130.46 2k78 n ILE 91 Ca 0.23 -0.83 0.05 0.00 -2.50 0.00 0.00 62.75 59.69 2k78 n ILE 91 Cb 0.50 -0.71 -0.01 0.00 0.54 0.00 0.00 39.64 39.97 2k78 n ILE 91 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 2k78 s SER 92 N -5.75 -0.95 -0.45 9.51 1.04 -1.25 -5.00 113.70 110.84 2k78 s SER 92 Ca -0.08 0.33 -0.18 0.00 0.48 0.00 0.00 55.95 56.50 2k78 s SER 92 Cb 0.07 1.69 0.03 0.00 0.10 0.00 0.00 66.02 67.92 2k78 s SER 92 CO 0.83 -0.18 0.51 -0.75 0.98 0.00 0.00 173.24 174.64 2k78 s LYS 93 N 2.90 3.12 -1.16 4.02 2.20 -1.26 -2.52 119.74 127.05 2k78 s LYS 93 Ca 0.14 -0.77 -0.04 0.00 -0.36 0.00 0.00 55.97 54.94 2k78 s LYS 93 Cb -0.09 -4.01 0.24 0.00 -1.51 0.00 0.00 37.83 32.46 2k78 s LYS 93 CO -0.20 -0.98 1.98 -1.71 -0.36 0.00 0.00 175.35 174.08 2k78 n ASN 94 N 5.82 7.29 0.29 1.43 4.05 -1.12 -4.74 115.26 128.28 2k78 n ASN 94 Ca -0.06 -3.42 0.18 0.00 0.45 0.00 0.00 54.58 51.73 2k78 n ASN 94 Cb 0.47 -1.27 0.95 0.00 1.23 0.00 0.00 39.78 41.16 2k78 n ASN 94 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 2k78 h THR 95 N 2.63 0.16 0.00 -0.44 1.35 -1.94 0.40 112.91 115.07 2k78 h THR 95 Ca 0.54 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.40 2k78 h THR 95 Cb 0.38 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 2k78 h THR 95 CO 1.34 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.61 2k78 h ALA 96 N 1.69 1.00 0.00 6.62 0.00 -1.93 -2.85 119.26 123.79 2k78 h ALA 96 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2k78 h ALA 96 Cb 0.40 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 2k78 h ALA 96 CO -0.00 0.00 -0.52 1.63 0.00 0.00 0.00 179.25 180.36 2k78 n LYS 97 N -2.88 0.25 -3.33 0.00 5.02 0.09 -5.03 118.16 112.28 2k78 n LYS 97 Ca -0.02 -1.50 -0.14 0.00 -2.02 0.00 0.00 58.31 54.63 2k78 n LYS 97 Cb 0.12 -0.60 0.03 0.00 -0.02 0.00 0.00 35.03 34.56 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 -0.16 -6.60 -2.99 4.39 9.92 -0.94 -4.88 116.55 115.29 2k78 n ASP 98 Ca 0.04 -0.58 -0.15 0.00 -0.53 0.00 0.00 54.79 53.57 2k78 n ASP 98 Cb 0.77 -4.51 -0.03 0.00 -0.64 0.00 0.00 41.12 36.71 2k78 n ASP 98 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2k78 n GLU 99 N -2.88 0.68 0.00 -1.24 1.02 -1.03 -2.17 120.64 115.03 2k78 n GLU 99 Ca -0.07 -2.80 0.00 0.00 -0.02 0.00 0.00 57.16 54.27 2k78 n GLU 99 Cb 0.58 2.67 0.00 0.00 -0.02 0.00 0.00 31.44 34.67 2k78 n GLU 99 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2k78 n ARG 100 N -0.58 0.00 -3.97 3.49 0.63 -0.74 -2.79 116.66 112.70 2k78 n ARG 100 Ca 0.01 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.85 2k78 n ARG 100 Cb 0.58 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.39 2k78 n ARG 100 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2k78 s THR 101 N -2.00 0.13 -0.06 5.15 2.01 -1.05 0.16 115.64 119.98 2k78 s THR 101 Ca 0.00 -1.05 -0.05 0.00 0.31 0.00 0.00 61.69 60.90 2k78 s THR 101 Cb 0.00 -0.60 0.02 0.00 0.01 0.00 0.00 72.50 71.92 2k78 s THR 101 CO 0.00 -0.58 0.16 -0.94 -0.69 0.00 0.00 174.62 172.57 2k78 s SER 102 N -1.80 -0.16 0.02 3.53 1.04 -0.63 -2.75 113.70 112.95 2k78 s SER 102 Ca -0.10 0.32 -0.14 0.00 0.48 0.00 0.00 55.95 56.51 2k78 s SER 102 Cb -0.05 0.32 -0.06 0.00 0.10 0.00 0.00 66.02 66.33 2k78 s SER 102 CO -0.03 -0.06 0.41 -0.70 0.98 0.00 0.00 173.24 173.85 2k78 s GLU 103 N 0.13 3.89 -0.02 4.02 2.12 -1.19 -0.17 118.70 127.48 2k78 s GLU 103 Ca -0.00 0.38 0.04 0.00 0.36 0.00 0.00 54.97 55.74 2k78 s GLU 103 Cb -0.02 -3.17 -0.01 0.00 0.26 0.00 0.00 34.13 31.20 2k78 s GLU 103 CO -0.00 0.66 -0.14 -0.06 -0.54 0.00 0.00 175.26 175.18 2k78 s PHE 104 N -1.16 1.31 -0.18 5.30 0.08 0.23 -3.70 117.98 119.86 2k78 s PHE 104 Ca 0.26 -0.29 -0.11 0.00 0.12 0.00 0.00 56.93 56.91 2k78 s PHE 104 Cb -0.16 -0.86 -0.05 0.00 -0.57 0.00 0.00 43.02 41.38 2k78 s PHE 104 CO 0.14 -0.07 0.17 -2.00 -0.10 0.00 0.00 175.22 173.37 2k78 s GLU 105 N -0.16 4.16 0.01 0.44 2.12 -1.26 0.05 118.70 124.06 2k78 s GLU 105 Ca 0.02 -0.13 -0.14 0.00 0.36 0.00 0.00 54.97 55.08 2k78 s GLU 105 Cb -0.07 -3.41 0.02 0.00 0.26 0.00 0.00 34.13 30.93 2k78 s GLU 105 CO 0.00 0.31 0.30 0.54 -0.54 0.00 0.00 175.26 175.87 2k78 s VAL 106 N 0.30 0.07 -0.36 3.70 0.11 -1.20 -4.77 120.40 118.25 2k78 s VAL 106 Ca 0.11 -0.58 -0.27 0.00 -2.93 0.00 0.00 61.98 58.30 2k78 s VAL 106 Cb -0.12 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 2k78 s VAL 106 CO -0.00 -0.32 2.09 -0.44 -3.33 0.00 0.00 175.10 173.10 2k78 s SER 107 N -1.65 5.32 0.30 3.54 0.01 -1.26 -4.65 113.70 115.31 2k78 s SER 107 Ca -0.10 1.33 0.00 0.00 1.31 0.00 0.00 55.95 58.49 2k78 s SER 107 Cb -0.03 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2k78 s SER 107 CO 0.01 -2.16 0.00 0.29 0.41 0.00 0.00 173.24 171.79 2k78 n LYS 108 N 8.78 -0.52 -3.02 12.44 4.76 -1.26 -4.75 118.16 134.58 2k78 n LYS 108 Ca 0.28 0.34 -0.16 0.00 -2.87 0.00 0.00 58.31 55.90 2k78 n LYS 108 Cb 0.49 -0.63 -0.03 0.00 -1.84 0.00 0.00 35.03 33.02 2k78 n LYS 108 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2k78 n LEU 109 N 0.00 -1.72 -2.75 -0.35 -0.00 -1.26 -4.97 117.00 105.95 2k78 n LEU 109 Ca 0.00 -3.80 -0.03 0.00 -0.00 0.00 0.00 56.01 52.18 2k78 n LEU 109 Cb 0.12 0.70 0.07 0.00 -0.00 0.00 0.00 43.42 44.30 2k78 n LEU 109 CO 0.00 1.96 0.15 -3.20 -0.00 0.00 0.00 177.39 176.30 2k78 n ASN 110 N 2.27 0.57 -0.96 1.45 4.05 -1.17 -0.42 115.26 121.06 2k78 n ASN 110 Ca 0.20 -2.26 0.00 0.00 0.45 0.00 0.00 54.58 52.97 2k78 n ASN 110 Cb 0.55 -0.10 0.00 0.00 1.23 0.00 0.00 39.78 41.46 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 -0.68 0.68 3.84 8.20 0.00 -0.55 -4.93 105.19 111.74 2k78 n GLY 111 Ca 0.01 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.88 4.07 -0.03 1.61 -2.85 -1.26 -1.24 119.74 118.16 2k78 s LYS 112 Ca 0.00 0.93 0.01 0.00 -1.00 0.00 0.00 55.97 55.91 2k78 s LYS 112 Cb 0.00 -2.24 0.02 0.00 -2.06 0.00 0.00 37.83 33.55 2k78 s LYS 112 CO 0.00 -0.06 -0.03 0.42 0.10 0.00 0.00 175.35 175.79 2k78 s ILE 113 N -2.27 0.34 -0.62 3.79 -1.09 0.42 -4.90 121.20 116.86 2k78 s ILE 113 Ca 0.59 -0.05 -0.27 0.00 -2.23 0.00 0.00 60.65 58.68 2k78 s ILE 113 Cb -0.10 -0.38 0.01 0.00 -1.58 0.00 0.00 42.46 40.42 2k78 s ILE 113 CO 0.20 0.16 1.42 -1.81 -1.23 0.00 0.00 174.94 173.69 2k78 s ASP 114 N 0.70 6.04 0.48 3.58 1.11 -1.26 -1.80 116.67 125.51 2k78 s ASP 114 Ca -0.08 0.08 0.03 0.00 0.18 0.00 0.00 52.55 52.76 2k78 s ASP 114 Cb -0.11 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.30 2k78 s ASP 114 CO -0.01 -1.82 0.02 -0.83 1.18 0.00 0.00 175.17 173.71 2k78 s GLY 115 N 4.64 2.85 0.33 0.21 0.00 -1.11 -3.29 107.32 110.95 2k78 s GLY 115 Ca 0.49 -0.98 -0.03 0.00 0.00 0.00 0.00 44.72 44.20 2k78 s GLY 115 CO 0.22 -2.16 0.46 0.54 0.00 0.00 0.00 173.10 172.16 2k78 s LYS 116 N -3.84 1.85 -0.05 2.90 1.02 0.30 -1.74 119.74 120.18 2k78 s LYS 116 Ca 0.16 -1.72 -0.26 0.00 0.02 0.00 0.00 55.97 54.16 2k78 s LYS 116 Cb 0.04 0.44 0.06 0.00 -0.52 0.00 0.00 37.83 37.84 2k78 s LYS 116 CO 0.08 -0.76 0.58 -1.50 -0.92 0.00 0.00 175.35 172.83 2k78 s ILE 117 N -3.18 0.01 0.19 2.17 2.07 0.59 -0.31 121.20 122.74 2k78 s ILE 117 Ca 0.30 -0.12 0.06 0.00 -1.41 0.00 0.00 60.65 59.48 2k78 s ILE 117 Cb -0.00 -0.89 -0.04 0.00 0.13 0.00 0.00 42.46 41.66 2k78 s ILE 117 CO 0.19 -0.07 0.12 -1.81 -1.91 0.00 0.00 174.94 171.47 2k78 s ASP 118 N -1.15 5.36 0.02 4.50 1.01 -1.13 -0.06 116.67 125.22 2k78 s ASP 118 Ca -0.11 -0.22 -0.01 0.00 0.71 0.00 0.00 52.55 52.92 2k78 s ASP 118 Cb -0.02 -1.34 -0.02 0.00 1.01 0.00 0.00 42.92 42.56 2k78 s ASP 118 CO 0.08 0.05 -0.01 -0.69 0.21 0.00 0.00 175.17 174.81 2k78 s VAL 119 N -1.85 0.10 -0.20 -1.27 1.01 -0.47 -2.53 120.40 115.18 2k78 s VAL 119 Ca 0.31 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 2k78 s VAL 119 Cb -0.09 -0.26 0.10 0.00 0.00 0.00 0.00 36.38 36.13 2k78 s VAL 119 CO 0.23 -0.46 0.38 -0.47 0.00 0.00 0.00 175.10 174.78 2k78 s TYR 120 N -1.37 -0.75 0.07 5.22 6.14 -1.17 -2.80 117.35 122.69 2k78 s TYR 120 Ca -0.15 1.19 0.03 0.00 0.64 0.00 0.00 57.07 58.77 2k78 s TYR 120 Cb -0.09 0.15 -0.03 0.00 0.42 0.00 0.00 41.96 42.40 2k78 s TYR 120 CO -0.01 -0.55 -0.08 0.42 0.64 0.00 0.00 175.55 175.97 2k78 s ILE 121 N 2.56 0.70 -0.29 3.14 1.01 -0.90 -4.50 121.20 122.92 2k78 s ILE 121 Ca 0.04 -1.44 0.04 0.00 0.00 0.00 0.00 60.65 59.28 2k78 s ILE 121 Cb -0.13 -1.09 0.19 0.00 0.01 0.00 0.00 42.46 41.44 2k78 s ILE 121 CO -0.13 -0.54 0.56 1.51 0.00 0.00 0.00 174.94 176.33 2k78 s ASP 122 N -2.17 -1.23 0.05 3.58 1.47 -1.26 -1.37 116.67 115.74 2k78 s ASP 122 Ca -0.00 0.24 -0.27 0.00 1.18 0.00 0.00 52.55 53.69 2k78 s ASP 122 Cb -0.04 1.90 0.10 0.00 -0.34 0.00 0.00 42.92 44.53 2k78 s ASP 122 CO -0.01 -0.30 1.19 -1.83 0.68 0.00 0.00 175.17 174.90 2k78 s GLU 123 N 2.78 0.70 -0.59 2.11 -1.05 -1.14 -5.02 118.70 116.50 2k78 s GLU 123 Ca 0.12 -0.43 -0.19 0.00 -0.15 0.00 0.00 54.97 54.32 2k78 s GLU 123 Cb -0.11 0.21 0.09 0.00 -0.44 0.00 0.00 34.13 33.88 2k78 s GLU 123 CO -0.25 -0.33 0.73 0.15 0.95 0.00 0.00 175.26 176.51 2k78 s LYS 124 N -2.33 3.06 -0.39 -4.83 3.01 -1.26 -1.30 119.74 115.71 2k78 s LYS 124 Ca 0.21 -1.21 -0.29 0.00 -1.01 0.00 0.00 55.97 53.67 2k78 s LYS 124 Cb 0.01 -4.24 0.01 0.00 -1.01 0.00 0.00 37.83 32.60 2k78 s LYS 124 CO 0.00 -1.54 1.28 0.08 0.51 0.00 0.00 175.35 175.69 2k78 s VAL 125 N 2.84 4.10 -1.45 3.17 1.01 0.06 -3.61 120.40 126.53 2k78 s VAL 125 Ca 0.13 1.18 -0.09 0.00 0.00 0.00 0.00 61.98 63.20 2k78 s VAL 125 Cb -0.23 -4.31 0.05 0.00 0.00 0.00 0.00 36.38 31.90 2k78 s VAL 125 CO 0.07 -0.71 0.90 -3.20 0.00 0.00 0.00 175.10 172.17 2k78 n ASN 126 N 8.04 -3.69 -1.81 3.32 4.05 -1.26 -1.41 115.26 122.50 2k78 n ASN 126 Ca 0.14 -0.78 -0.11 0.00 0.45 0.00 0.00 54.58 54.29 2k78 n ASN 126 Cb 0.48 -4.03 0.03 0.00 1.23 0.00 0.00 39.78 37.49 2k78 n ASN 126 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k78 n GLY 127 N -1.68 0.19 2.74 8.20 0.00 -1.24 -5.02 105.19 108.40 2k78 n GLY 127 Ca -0.08 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 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 -5.41 0.21 0.05 1.61 1.02 -0.50 -5.09 119.74 111.63 2k78 s LYS 128 Ca 0.23 0.13 -0.37 0.00 0.02 0.00 0.00 55.97 55.98 2k78 s LYS 128 Cb -0.10 -1.14 -0.17 0.00 -0.52 0.00 0.00 37.83 35.91 2k78 s LYS 128 CO 0.28 -0.72 1.37 -2.30 -0.92 0.00 0.00 175.35 173.06 2k78 n PRO 129 N 5.32 1.12 -4.20 -1.68 -0.02 -1.26 -0.76 135.00 133.51 2k78 n PRO 129 Ca -0.05 0.40 -0.16 0.00 -2.02 0.00 0.00 63.50 61.67 2k78 n PRO 129 Cb 0.49 -2.05 -0.14 0.00 -0.02 0.00 0.00 33.50 31.78 2k78 n PRO 129 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2k78 s PHE 130 N 0.72 0.54 -0.07 6.00 5.36 -0.42 -4.83 117.98 125.28 2k78 s PHE 130 Ca 0.86 -0.10 -0.01 0.00 -0.96 0.00 0.00 56.93 56.72 2k78 s PHE 130 Cb -0.97 -0.35 0.03 0.00 -0.34 0.00 0.00 43.02 41.39 2k78 s PHE 130 CO 0.49 -0.01 -0.01 0.15 -1.46 0.00 0.00 175.22 174.38 2k78 s LYS 131 N -0.13 0.68 -0.03 10.12 1.02 -1.26 -2.88 119.74 127.26 2k78 s LYS 131 Ca 0.02 0.06 0.04 0.00 0.02 0.00 0.00 55.97 56.11 2k78 s LYS 131 Cb -0.02 -0.98 -0.03 0.00 -0.52 0.00 0.00 37.83 36.28 2k78 s LYS 131 CO -0.00 -0.27 -0.14 -0.47 -0.92 0.00 0.00 175.35 173.55 2k78 s TYR 132 N 1.80 2.69 -0.34 3.18 5.04 -0.47 -4.92 117.35 124.33 2k78 s TYR 132 Ca 0.03 -0.16 -0.07 0.00 -2.44 0.00 0.00 57.07 54.42 2k78 s TYR 132 Cb -0.13 -1.59 0.21 0.00 0.35 0.00 0.00 41.96 40.80 2k78 s TYR 132 CO -0.05 0.22 1.09 0.16 -1.34 0.00 0.00 175.55 175.64 2k78 s ASP 133 N -0.94 -0.29 0.37 4.32 1.47 -1.21 -2.11 116.67 118.27 2k78 s ASP 133 Ca 0.13 -0.33 -0.09 0.00 1.18 0.00 0.00 52.55 53.44 2k78 s ASP 133 Cb -0.11 0.38 0.03 0.00 -0.34 0.00 0.00 42.92 42.89 2k78 s ASP 133 CO 0.02 -0.01 0.64 -1.00 0.68 0.00 0.00 175.17 175.50 2k78 s HIS 134 N 1.08 0.59 -0.42 2.11 3.76 -1.12 -4.97 115.29 116.31 2k78 s HIS 134 Ca 0.23 -1.04 0.03 0.00 -0.15 0.00 0.00 55.06 54.12 2k78 s HIS 134 Cb 0.12 0.39 0.11 0.00 1.11 0.00 0.00 32.58 34.31 2k78 s HIS 134 CO -0.11 -1.37 0.15 -1.01 -0.85 0.00 0.00 174.74 171.55 2k78 s HIS 135 N -2.66 3.55 0.14 1.40 3.76 -1.26 -1.37 115.29 118.85 2k78 s HIS 135 Ca 0.23 -3.00 -0.24 0.00 -0.15 0.00 0.00 55.06 51.90 2k78 s HIS 135 Cb -0.03 -2.94 -0.08 0.00 1.11 0.00 0.00 32.58 30.65 2k78 s HIS 135 CO 0.16 -0.88 0.74 0.71 -0.85 0.00 0.00 174.74 174.62 2k78 s TYR 136 N 0.50 3.88 0.45 1.40 2.02 0.91 -4.77 117.35 121.73 2k78 s TYR 136 Ca 0.13 1.57 -0.04 0.00 -0.37 0.00 0.00 57.07 58.35 2k78 s TYR 136 Cb -0.22 -2.73 -0.04 0.00 -0.40 0.00 0.00 41.96 38.58 2k78 s TYR 136 CO -0.05 0.51 0.73 0.54 -1.57 0.00 0.00 175.55 175.71 2k78 s ASN 137 N -1.05 6.28 0.22 2.29 2.20 -1.26 -0.30 114.94 123.32 2k78 s ASN 137 Ca 0.35 0.84 -0.18 0.00 -0.94 0.00 0.00 52.86 52.93 2k78 s ASN 137 Cb -0.22 -2.21 0.02 0.00 -2.00 0.00 0.00 41.25 36.84 2k78 s ASN 137 CO 0.25 -0.51 0.56 0.27 -2.94 0.00 0.00 177.10 174.73 2k78 s ILE 138 N -2.64 0.01 0.42 0.54 -4.36 -0.71 -4.54 121.20 109.93 2k78 s ILE 138 Ca 0.46 -0.87 -0.01 0.00 -0.26 0.00 0.00 60.65 59.97 2k78 s ILE 138 Cb -0.10 -1.72 -0.02 0.00 1.25 0.00 0.00 42.46 41.86 2k78 s ILE 138 CO 0.42 -0.07 0.66 -0.89 0.24 0.00 0.00 174.94 175.31 2k78 s THR 139 N -3.90 4.72 -0.30 8.37 2.01 -0.96 -2.73 115.64 122.85 2k78 s THR 139 Ca 0.11 -0.27 -0.00 0.00 0.31 0.00 0.00 61.69 61.84 2k78 s THR 139 Cb -0.02 -3.75 0.14 0.00 0.01 0.00 0.00 72.50 68.87 2k78 s THR 139 CO 0.00 -0.58 0.30 -0.31 -0.69 0.00 0.00 174.62 173.34 2k78 s TYR 140 N -2.52 -0.41 -0.46 4.92 2.02 -0.75 -3.92 117.35 116.23 2k78 s TYR 140 Ca 0.45 -0.29 -0.14 0.00 -0.37 0.00 0.00 57.07 56.72 2k78 s TYR 140 Cb -0.10 -0.47 0.07 0.00 -0.40 0.00 0.00 41.96 41.06 2k78 s TYR 140 CO 0.39 -0.93 0.36 0.15 -1.57 0.00 0.00 175.55 173.96 2k78 s LYS 141 N 2.22 2.90 0.03 -0.62 1.02 -1.12 0.16 119.74 124.32 2k78 s LYS 141 Ca 0.10 -1.36 -0.16 0.00 0.02 0.00 0.00 55.97 54.57 2k78 s LYS 141 Cb -0.14 -4.05 -0.06 0.00 -0.52 0.00 0.00 37.83 33.06 2k78 s LYS 141 CO -0.29 -1.00 0.45 -0.06 -0.92 0.00 0.00 175.35 173.53 2k78 s PHE 142 N 1.60 3.74 -0.35 3.18 0.08 -0.37 -2.73 117.98 123.12 2k78 s PHE 142 Ca 0.04 1.06 0.02 0.00 0.12 0.00 0.00 56.93 58.17 2k78 s PHE 142 Cb -0.24 -2.34 0.10 0.00 -0.57 0.00 0.00 43.02 39.98 2k78 s PHE 142 CO 0.06 0.62 0.09 -0.80 -0.10 0.00 0.00 175.22 175.09 2k78 s ASN 143 N -1.13 4.46 0.00 1.36 0.01 0.40 -1.48 114.94 118.55 2k78 s ASN 143 Ca 0.26 -2.10 0.00 0.00 -0.71 0.00 0.00 52.86 50.31 2k78 s ASN 143 Cb -0.17 -1.37 0.00 0.00 0.41 0.00 0.00 41.25 40.11 2k78 s ASN 143 CO 0.15 -0.37 0.00 0.61 -1.51 0.00 0.00 177.10 175.98 2k78 n GLY 144 N 4.30 4.32 3.65 0.66 0.00 0.44 -2.65 105.19 115.90 2k78 n GLY 144 Ca 0.03 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 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 0.90 -0.06 1.61 -0.04 -1.26 -4.70 135.00 131.45 2k78 n PRO 145 Ca 0.00 0.36 -0.22 0.00 -0.04 0.00 0.00 63.50 63.60 2k78 n PRO 145 Cb 0.00 -2.29 -0.12 0.00 -0.04 0.00 0.00 33.50 31.05 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 -1.91 1.63 0.00 0.52 -2.24 -1.26 -4.16 114.28 106.86 2k78 n THR 146 Ca 0.15 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2k78 n THR 146 Cb 0.48 -1.91 0.00 0.00 -2.10 0.00 0.00 70.33 66.80 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 -4.05 0.00 -3.74 3.42 8.00 -1.26 -4.80 116.55 114.12 2k78 n ASP 147 Ca -0.33 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 54.91 2k78 n ASP 147 Cb 0.83 0.15 0.05 0.00 -0.02 0.00 0.00 41.12 42.13 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 -1.88 -2.96 -2.26 2.53 0.31 -1.26 -4.85 118.33 107.96 2k78 n VAL 148 Ca 0.00 -0.10 -0.43 0.00 -0.01 0.00 0.00 64.34 63.81 2k78 n VAL 148 Cb 0.00 -3.54 0.00 0.00 -0.91 0.00 0.00 33.84 29.39 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 -4.73 4.45 0.00 3.52 0.00 -1.26 -5.11 120.51 117.39 2k78 n ALA 149 Ca -0.03 -3.91 0.00 0.00 0.00 0.00 0.00 53.44 49.49 2k78 n ALA 149 Cb 0.57 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.51 2k78 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91