#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhe s THR 27 N 0.00 5.00 -0.07 9.51 2.01 0.40 -1.08 115.64 131.41 1uhe s THR 27 Ca 0.00 1.11 0.05 0.00 0.31 0.00 0.00 61.69 63.16 1uhe s THR 27 Cb 0.00 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 1uhe s THR 27 CO 0.00 0.05 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.11 1uhe s ILE 28 N 2.38 2.02 -0.45 1.82 1.01 -0.04 -1.07 121.20 126.87 1uhe s ILE 28 Ca 0.26 -1.03 -0.44 0.00 0.00 0.00 0.00 60.65 59.43 1uhe s ILE 28 Cb -0.16 -1.72 -0.19 0.00 0.01 0.00 0.00 42.46 40.41 1uhe s ILE 28 CO 0.09 0.56 1.78 -0.67 0.00 0.00 0.00 174.94 176.70 1uhe n ASP 29 N 3.13 1.37 -0.32 3.58 4.64 -0.47 -0.30 116.55 128.19 1uhe n ASP 29 Ca -0.18 1.01 0.23 0.00 -1.38 0.00 0.00 54.79 54.48 1uhe n ASP 29 Cb 0.52 -0.95 0.53 0.00 -1.04 0.00 0.00 41.12 40.18 1uhe n ASP 29 CO 0.00 0.00 0.00 1.05 -0.82 0.00 0.00 177.20 177.43 1uhe h GLU 30 N 6.70 0.35 -0.33 -0.67 4.11 -1.38 0.95 114.58 124.32 1uhe h GLU 30 Ca -0.36 -0.02 -0.15 0.00 0.07 0.00 0.00 59.36 58.90 1uhe h GLU 30 Cb 1.37 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1uhe h GLU 30 CO 1.00 0.23 -0.39 -0.44 0.07 0.00 0.00 179.01 179.49 1uhe h ASP 31 N 0.37 0.84 -0.27 3.06 3.32 -1.86 -0.69 116.42 121.18 1uhe h ASP 31 Ca 0.59 -0.38 -0.09 0.00 0.02 0.00 0.00 57.03 57.17 1uhe h ASP 31 Cb 1.55 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 1uhe h ASP 31 CO -0.27 1.13 -0.17 0.25 -1.72 0.00 0.00 179.24 178.45 1uhe h LEU 32 N 0.65 0.62 -0.49 1.55 6.46 -1.25 -2.50 115.31 120.34 1uhe h LEU 32 Ca 0.05 -0.43 0.03 0.00 -0.12 0.00 0.00 57.88 57.41 1uhe h LEU 32 Cb 0.95 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.67 1uhe h LEU 32 CO 0.09 0.91 0.28 0.00 -0.62 0.00 0.00 178.44 179.10 1uhe h ALA 33 N 0.72 0.62 -0.62 1.25 0.00 -0.90 -2.33 119.26 117.99 1uhe h ALA 33 Ca 0.05 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1uhe h ALA 33 Cb 0.70 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1uhe h ALA 33 CO 0.05 -0.03 0.38 -0.22 0.00 0.00 0.00 179.25 179.43 1uhe h LYS 34 N 0.56 0.71 -0.01 0.00 1.63 -1.04 0.31 116.57 118.74 1uhe h LYS 34 Ca 0.20 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.94 1uhe h LYS 34 Cb 0.03 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.50 1uhe h LYS 34 CO -0.10 0.47 -0.07 -0.07 -3.45 0.00 0.00 179.45 176.23 1uhe h LEU 35 N 0.74 0.01 -1.93 5.20 3.38 -1.01 0.27 115.31 121.96 1uhe h LEU 35 Ca 0.26 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1uhe h LEU 35 Cb 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1uhe h LEU 35 CO -0.11 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.50 1uhe n ALA 36 N -2.52 2.43 -3.23 1.53 0.00 -0.62 -4.94 120.51 113.16 1uhe n ALA 36 Ca -0.03 -0.90 -0.23 0.00 0.00 0.00 0.00 53.44 52.28 1uhe n ALA 36 Cb 0.16 -0.96 0.03 0.00 0.00 0.00 0.00 19.45 18.67 1uhe n ALA 36 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uhe n LYS 37 N 1.06 -4.89 -3.39 0.00 5.02 0.08 -4.94 118.16 111.10 1uhe n LYS 37 Ca 0.18 0.77 -0.37 0.00 -2.02 0.00 0.00 58.31 56.87 1uhe n LYS 37 Cb 0.47 -5.62 -0.06 0.00 -0.02 0.00 0.00 35.03 29.79 1uhe n LYS 37 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1uhe s LEU 38 N -6.75 4.25 0.11 -0.35 1.43 -0.03 -5.00 118.68 112.35 1uhe s LEU 38 Ca 0.38 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 1uhe s LEU 38 Cb -0.18 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 1uhe s LEU 38 CO 0.47 0.02 0.27 -0.13 0.23 0.00 0.00 176.35 177.21 1uhe s ARG 39 N 0.66 3.47 0.20 1.70 1.81 -1.26 -4.40 118.95 121.12 1uhe s ARG 39 Ca 0.22 -0.44 -0.31 0.00 -1.72 0.00 0.00 55.73 53.48 1uhe s ARG 39 Cb -0.14 -2.98 -0.10 0.00 -0.45 0.00 0.00 34.95 31.27 1uhe s ARG 39 CO 0.08 0.55 1.57 -2.00 -0.68 0.00 0.00 175.30 174.82 1uhe s GLU 40 N -2.82 4.20 0.00 3.54 2.12 -1.26 -1.58 118.70 122.89 1uhe s GLU 40 Ca 0.36 2.41 0.00 0.00 0.36 0.00 0.00 54.97 58.10 1uhe s GLU 40 Cb -0.12 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.15 1uhe s GLU 40 CO 0.28 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 174.81 1uhe n GLY 41 N 3.39 0.65 3.73 -1.50 0.00 0.87 -4.96 105.19 107.37 1uhe n GLY 41 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1uhe n GLY 41 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1uhe s MET 42 N -0.78 4.38 0.16 1.61 0.00 -0.62 -4.59 119.30 119.47 1uhe s MET 42 Ca 0.00 2.02 -0.30 0.00 0.00 0.00 0.00 55.69 57.41 1uhe s MET 42 Cb 0.00 -3.23 -0.07 0.00 0.00 0.00 0.00 34.83 31.53 1uhe s MET 42 CO 0.00 -0.29 1.16 0.21 0.00 0.00 0.00 175.02 176.11 1uhe s LYS 43 N 0.31 4.52 0.08 4.11 2.20 -1.26 -1.13 119.74 128.56 1uhe s LYS 43 Ca 0.59 1.80 0.02 0.00 -0.36 0.00 0.00 55.97 58.02 1uhe s LYS 43 Cb -0.36 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 1uhe s LYS 43 CO 0.35 -0.06 -0.07 0.14 -0.36 0.00 0.00 175.35 175.35 1uhe s VAL 44 N 0.07 0.67 -0.16 4.02 -7.23 0.56 -4.63 120.40 113.69 1uhe s VAL 44 Ca 0.53 -1.60 -0.05 0.00 -1.81 0.00 0.00 61.98 59.04 1uhe s VAL 44 Cb -0.31 -1.27 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 1uhe s VAL 44 CO 0.35 -0.67 0.02 -1.61 -0.31 0.00 0.00 175.10 172.88 1uhe s GLU 45 N -2.93 3.74 -0.18 4.82 2.02 0.20 -1.56 118.70 124.81 1uhe s GLU 45 Ca 0.03 -0.41 -0.03 0.00 0.02 0.00 0.00 54.97 54.59 1uhe s GLU 45 Cb -0.01 -3.05 -0.01 0.00 0.10 0.00 0.00 34.13 31.15 1uhe s GLU 45 CO -0.02 0.33 -0.07 0.42 0.02 0.00 0.00 175.26 175.94 1uhe s ILE 46 N 0.17 3.37 -0.12 -1.63 -1.09 0.92 -0.54 121.20 122.27 1uhe s ILE 46 Ca 0.02 -0.52 0.02 0.00 -2.23 0.00 0.00 60.65 57.94 1uhe s ILE 46 Cb -0.13 -2.48 0.01 0.00 -1.58 0.00 0.00 42.46 38.28 1uhe s ILE 46 CO 0.01 0.47 -0.17 0.68 -1.23 0.00 0.00 174.94 174.70 1uhe s VAL 47 N 0.89 1.67 -0.34 2.92 -7.23 -0.51 -1.16 120.40 116.63 1uhe s VAL 47 Ca -0.02 -0.74 -0.19 0.00 -1.81 0.00 0.00 61.98 59.22 1uhe s VAL 47 Cb -0.15 -1.51 -0.00 0.00 0.56 0.00 0.00 36.38 35.28 1uhe s VAL 47 CO 0.01 0.47 0.56 -0.62 -0.31 0.00 0.00 175.10 175.21 1uhe s ASP 48 N 0.97 6.37 0.31 4.85 -1.08 0.26 -0.83 116.67 127.52 1uhe s ASP 48 Ca -0.06 0.10 0.06 0.00 -0.52 0.00 0.00 52.55 52.13 1uhe s ASP 48 Cb -0.15 -2.29 0.53 0.00 -1.46 0.00 0.00 42.92 39.55 1uhe s ASP 48 CO -0.02 -0.50 1.77 0.58 0.52 0.00 0.00 175.17 177.52 1uhe h VAL 49 N 5.61 1.25 -0.03 1.11 2.07 -1.21 0.38 116.25 125.43 1uhe h VAL 49 Ca -0.27 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 1uhe h VAL 49 Cb 1.12 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1uhe h VAL 49 CO 0.79 0.37 -0.00 0.78 0.02 0.00 0.00 177.57 179.53 1uhe h ASN 50 N 0.31 0.06 -0.01 0.57 -0.26 -1.93 -3.37 115.58 110.94 1uhe h ASN 50 Ca 0.05 -0.33 0.00 0.00 -0.56 0.00 0.00 56.30 55.46 1uhe h ASN 50 Cb 0.62 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.87 1uhe h ASN 50 CO 0.04 0.37 -0.11 -0.46 -1.06 0.00 0.00 177.43 176.21 1uhe n ASN 51 N -4.89 1.42 0.00 5.81 0.23 -1.22 -5.01 115.26 111.61 1uhe n ASN 51 Ca -0.07 -1.21 0.00 0.00 -0.53 0.00 0.00 54.58 52.77 1uhe n ASN 51 Cb 0.19 0.28 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 1uhe n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1uhe n GLY 52 N 0.73 0.95 3.77 4.83 0.00 0.13 -5.01 105.19 110.60 1uhe n GLY 52 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1uhe n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uhe s GLU 53 N -0.05 4.12 -0.08 1.61 0.41 -1.24 -4.72 118.70 118.75 1uhe s GLU 53 Ca 0.00 2.21 0.00 0.00 -0.41 0.00 0.00 54.97 56.77 1uhe s GLU 53 Cb 0.00 -2.88 0.02 0.00 -1.78 0.00 0.00 34.13 29.49 1uhe s GLU 53 CO 0.00 -0.39 -0.07 1.03 -0.49 0.00 0.00 175.26 175.35 1uhe s ARG 54 N -2.07 1.24 0.18 1.61 0.52 -1.26 -0.57 118.95 118.60 1uhe s ARG 54 Ca 0.54 -0.19 -0.12 0.00 -0.52 0.00 0.00 55.73 55.44 1uhe s ARG 54 Cb -0.39 -1.27 0.00 0.00 0.52 0.00 0.00 34.95 33.81 1uhe s ARG 54 CO 0.51 -0.17 0.38 -0.59 0.02 0.00 0.00 175.30 175.46 1uhe s PHE 55 N 1.34 0.23 -0.04 -0.53 -0.12 -0.31 -5.00 117.98 113.56 1uhe s PHE 55 Ca -0.03 -0.59 0.05 0.00 -0.05 0.00 0.00 56.93 56.31 1uhe s PHE 55 Cb -0.14 0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.34 1uhe s PHE 55 CO -0.03 -0.81 -0.18 -1.12 -0.05 0.00 0.00 175.22 173.03 1uhe s SER 56 N -2.94 3.69 0.01 1.98 0.01 -1.26 -0.06 113.70 115.14 1uhe s SER 56 Ca 0.15 -0.29 -0.00 0.00 1.31 0.00 0.00 55.95 57.12 1uhe s SER 56 Cb 0.02 -0.69 0.00 0.00 0.21 0.00 0.00 66.02 65.55 1uhe s SER 56 CO 0.00 0.33 0.02 1.07 0.41 0.00 0.00 173.24 175.08 1uhe n THR 57 N 2.38 0.00 -4.42 1.44 5.66 -0.60 -4.99 114.28 113.75 1uhe n THR 57 Ca -0.17 -0.05 -0.22 0.00 -3.05 0.00 0.00 64.05 60.56 1uhe n THR 57 Cb 0.52 0.04 -0.10 0.00 -1.55 0.00 0.00 70.33 69.24 1uhe n THR 57 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1uhe s TYR 58 N -6.83 2.07 0.04 1.09 -0.85 -1.26 -0.32 117.35 111.28 1uhe s TYR 58 Ca 0.01 -0.43 -0.25 0.00 -0.52 0.00 0.00 57.07 55.88 1uhe s TYR 58 Cb -0.00 -0.92 -0.05 0.00 0.38 0.00 0.00 41.96 41.37 1uhe s TYR 58 CO 0.01 0.58 0.78 0.08 -1.52 0.00 0.00 175.55 175.47 1uhe s VAL 59 N -2.69 4.74 -0.13 -3.49 1.01 -0.28 -1.65 120.40 117.90 1uhe s VAL 59 Ca 0.27 1.66 0.03 0.00 0.00 0.00 0.00 61.98 63.94 1uhe s VAL 59 Cb -0.03 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.23 1uhe s VAL 59 CO 0.12 0.35 -0.22 -0.63 0.00 0.00 0.00 175.10 174.71 1uhe s ILE 60 N 0.03 2.04 -0.03 2.22 1.01 -0.24 -0.09 121.20 126.14 1uhe s ILE 60 Ca 0.39 -0.98 -0.30 0.00 0.00 0.00 0.00 60.65 59.76 1uhe s ILE 60 Cb -0.21 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1uhe s ILE 60 CO 0.23 0.55 1.18 -0.76 0.00 0.00 0.00 174.94 176.14 1uhe s LEU 61 N 0.70 4.30 0.13 2.97 1.43 -1.26 -0.86 118.68 126.09 1uhe s LEU 61 Ca -0.10 1.83 0.02 0.00 -1.03 0.00 0.00 54.13 54.85 1uhe s LEU 61 Cb -0.16 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 1uhe s LEU 61 CO 0.01 -0.54 0.24 -0.83 0.23 0.00 0.00 176.35 175.46 1uhe s GLY 62 N 1.35 1.82 0.00 -3.19 0.00 0.59 -4.82 107.32 103.08 1uhe s GLY 62 Ca 0.56 -1.01 0.22 0.00 0.00 0.00 0.00 44.72 44.48 1uhe s GLY 62 CO 0.24 -1.01 1.06 0.28 0.00 0.00 0.00 173.10 173.67 1uhe n LYS 63 N -0.30 1.35 -3.35 2.90 4.76 -1.26 -0.98 118.16 121.28 1uhe n LYS 63 Ca -0.07 -1.04 -0.39 0.00 -2.87 0.00 0.00 58.31 53.94 1uhe n LYS 63 Cb 0.53 -1.45 -0.08 0.00 -1.84 0.00 0.00 35.03 32.19 1uhe n LYS 63 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1uhe s LYS 64 N -2.35 4.06 0.09 1.97 2.47 -1.26 -5.00 119.74 119.72 1uhe s LYS 64 Ca 0.18 0.14 -0.33 0.00 -1.56 0.00 0.00 55.97 54.40 1uhe s LYS 64 Cb 0.17 -3.63 -0.12 0.00 -1.46 0.00 0.00 37.83 32.79 1uhe s LYS 64 CO 0.53 -0.25 1.72 -2.13 0.16 0.00 0.00 175.35 175.38 1uhe n ARG 65 N 5.23 2.35 -0.98 4.03 0.63 -1.26 -1.96 116.66 124.71 1uhe n ARG 65 Ca -0.07 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 1uhe n ARG 65 Cb 0.51 -2.67 0.00 0.00 0.45 0.00 0.00 32.46 30.74 1uhe n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1uhe n GLY 66 N 3.88 0.38 3.76 5.14 0.00 -1.26 -5.00 105.19 112.08 1uhe n GLY 66 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1uhe n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1uhe s GLU 67 N -0.63 4.51 -0.27 1.61 2.12 -0.83 -4.72 118.70 120.50 1uhe s GLU 67 Ca 0.00 1.09 -0.04 0.00 0.36 0.00 0.00 54.97 56.38 1uhe s GLU 67 Cb 0.00 -3.33 0.10 0.00 0.26 0.00 0.00 34.13 31.15 1uhe s GLU 67 CO 0.00 0.37 0.13 0.42 -0.54 0.00 0.00 175.26 175.64 1uhe s ILE 68 N -0.39 -0.09 -0.17 -3.70 1.01 -1.25 -1.37 121.20 115.24 1uhe s ILE 68 Ca 0.38 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 60.37 1uhe s ILE 68 Cb -0.21 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.34 1uhe s ILE 68 CO 0.24 -0.65 -0.14 0.00 0.00 0.00 0.00 174.94 174.39 1uhe s VAL 70 N 1.05 5.01 0.26 0.00 1.01 -1.26 -0.46 120.40 126.02 1uhe s VAL 70 Ca -0.01 1.09 0.08 0.00 0.00 0.00 0.00 61.98 63.14 1uhe s VAL 70 Cb -0.15 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1uhe s VAL 70 CO -0.04 0.06 0.13 0.20 0.00 0.00 0.00 175.10 175.46 1uhe s ASN 71 N 1.41 5.16 0.60 3.32 0.01 -1.26 -4.39 114.94 119.78 1uhe s ASN 71 Ca 0.26 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 1uhe s ASN 71 Cb -0.16 -1.18 0.00 0.00 0.41 0.00 0.00 41.25 40.32 1uhe s ASN 71 CO 0.09 -0.04 0.00 0.61 -1.51 0.00 0.00 177.10 176.25 1uhe n GLY 72 N -1.09 0.39 0.37 0.66 0.00 -1.26 -3.37 105.19 100.89 1uhe n GLY 72 Ca -0.07 -0.84 0.16 0.00 0.00 0.00 0.00 46.02 45.27 1uhe n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uhe h ALA 73 N -0.60 2.24 0.00 4.61 0.00 -2.04 -1.14 119.26 122.33 1uhe h ALA 73 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uhe h ALA 73 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1uhe h ALA 73 CO 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 179.25 178.85 1uhe h ALA 74 N 1.71 1.23 -0.07 0.00 0.00 -1.92 -1.88 119.26 118.32 1uhe h ALA 74 Ca 0.29 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1uhe h ALA 74 Cb 0.81 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1uhe h ALA 74 CO -0.06 0.00 0.07 0.00 0.00 0.00 0.00 179.25 179.26 1uhe h ALA 75 N 2.00 1.74 0.00 0.00 0.00 -1.33 -0.10 119.26 121.56 1uhe h ALA 75 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uhe h ALA 75 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1uhe h ALA 75 CO 0.00 -0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.69 1uhe n ARG 76 N -4.01 0.07 0.00 0.00 1.74 -0.71 -3.11 116.66 110.65 1uhe n ARG 76 Ca -0.01 0.15 0.13 0.00 -0.77 0.00 0.00 57.85 57.35 1uhe n ARG 76 Cb 0.17 -1.60 0.31 0.00 -1.02 0.00 0.00 32.46 30.31 1uhe n ARG 76 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1uhe n LYS 77 N -1.73 1.78 -4.12 5.56 4.76 -0.05 -4.96 118.16 119.39 1uhe n LYS 77 Ca 0.05 -1.27 -0.11 0.00 -2.87 0.00 0.00 58.31 54.11 1uhe n LYS 77 Cb 0.30 -1.47 -0.09 0.00 -1.84 0.00 0.00 35.03 31.93 1uhe n LYS 77 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1uhe s VAL 78 N -2.09 0.02 0.05 -0.18 -7.23 -1.18 -4.76 120.40 105.04 1uhe s VAL 78 Ca 0.31 -1.79 0.06 0.00 -1.81 0.00 0.00 61.98 58.75 1uhe s VAL 78 Cb 0.20 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 1uhe s VAL 78 CO 0.36 -0.11 -0.17 0.00 -0.31 0.00 0.00 175.10 174.87 1uhe s ALA 79 N -4.09 1.42 0.26 1.32 0.00 -1.26 -4.94 121.76 114.47 1uhe s ALA 79 Ca 0.31 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.99 1uhe s ALA 79 Cb 0.05 -0.22 -0.11 0.00 0.00 0.00 0.00 23.12 22.83 1uhe s ALA 79 CO 0.08 0.28 1.60 0.42 0.00 0.00 0.00 175.76 178.14 1uhe s ILE 80 N -0.93 2.17 0.00 0.00 1.01 -1.26 -1.76 121.20 120.43 1uhe s ILE 80 Ca 0.03 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1uhe s ILE 80 Cb -0.09 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.30 1uhe s ILE 80 CO 0.02 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.59 1uhe n GLY 81 N 2.58 1.72 3.76 6.18 0.00 -1.26 -5.07 105.19 113.10 1uhe n GLY 81 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1uhe n GLY 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uhe s ASP 82 N -1.60 5.52 -0.13 1.61 1.11 -0.72 -5.00 116.67 117.46 1uhe s ASP 82 Ca 0.00 2.46 -0.16 0.00 0.18 0.00 0.00 52.55 55.03 1uhe s ASP 82 Cb 0.00 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 1uhe s ASP 82 CO 0.00 -1.37 0.38 -0.69 1.18 0.00 0.00 175.17 174.67 1uhe s VAL 83 N -1.50 5.24 0.18 -1.27 1.01 -1.26 -5.02 120.40 117.78 1uhe s VAL 83 Ca 0.71 0.74 0.03 0.00 0.00 0.00 0.00 61.98 63.47 1uhe s VAL 83 Cb -0.32 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1uhe s VAL 83 CO 0.37 0.37 -0.03 0.68 0.00 0.00 0.00 175.10 176.50 1uhe s VAL 84 N 0.44 0.93 -0.12 2.92 -7.23 -1.26 -0.65 120.40 115.42 1uhe s VAL 84 Ca 0.21 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.39 1uhe s VAL 84 Cb -0.14 -2.10 0.01 0.00 0.56 0.00 0.00 36.38 34.71 1uhe s VAL 84 CO 0.07 -0.52 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.50 1uhe s ILE 85 N -3.49 1.95 -0.27 -0.62 1.01 -0.01 -4.94 121.20 114.83 1uhe s ILE 85 Ca 0.23 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.89 1uhe s ILE 85 Cb 0.05 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 1uhe s ILE 85 CO 0.04 0.53 0.07 -0.63 0.00 0.00 0.00 174.94 174.95 1uhe s ILE 86 N 0.70 4.06 -0.09 2.92 1.01 -1.26 -1.42 121.20 127.12 1uhe s ILE 86 Ca -0.11 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1uhe s ILE 86 Cb -0.16 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 1uhe s ILE 86 CO 0.01 0.21 -0.12 -0.76 0.00 0.00 0.00 174.94 174.28 1uhe s LEU 87 N 1.55 2.81 -0.11 2.97 1.43 0.30 -4.96 118.68 122.67 1uhe s LEU 87 Ca 0.04 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1uhe s LEU 87 Cb -0.16 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.46 1uhe s LEU 87 CO 0.02 0.26 -0.22 0.00 0.23 0.00 0.00 176.35 176.65 1uhe s ALA 88 N -0.23 2.08 0.19 4.21 0.00 -1.26 -0.63 121.76 126.12 1uhe s ALA 88 Ca 0.01 -0.95 0.09 0.00 0.00 0.00 0.00 51.96 51.12 1uhe s ALA 88 Cb -0.13 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1uhe s ALA 88 CO 0.03 0.14 -0.09 0.71 0.00 0.00 0.00 175.76 176.55 1uhe s TYR 89 N 0.58 2.64 0.03 0.00 1.51 -1.26 -5.07 117.35 115.78 1uhe s TYR 89 Ca -0.14 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 55.72 1uhe s TYR 89 Cb -0.17 -1.27 -0.02 0.00 -0.11 0.00 0.00 41.96 40.39 1uhe s TYR 89 CO 0.04 0.53 -0.07 0.00 -1.11 0.00 0.00 175.55 174.94 1uhe s ALA 90 N -1.79 0.47 -0.23 3.71 0.00 -1.26 -5.04 121.76 117.61 1uhe s ALA 90 Ca 0.26 -0.65 -0.24 0.00 0.00 0.00 0.00 51.96 51.33 1uhe s ALA 90 Cb -0.08 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1uhe s ALA 90 CO 0.16 -0.02 0.78 -1.12 0.00 0.00 0.00 175.76 175.56 1uhe s SER 91 N -1.33 6.80 0.11 0.00 0.01 -1.26 -5.04 113.70 112.98 1uhe s SER 91 Ca -0.09 0.98 0.07 0.00 1.31 0.00 0.00 55.95 58.22 1uhe s SER 91 Cb -0.09 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 1uhe s SER 91 CO 0.00 -0.46 -0.17 -0.04 0.41 0.00 0.00 173.24 172.98 1uhe s MET 92 N 2.64 1.05 0.69 12.44 -1.94 -1.26 -5.13 119.30 127.79 1uhe s MET 92 Ca 0.33 -1.17 0.01 0.00 -1.71 0.00 0.00 55.69 53.16 1uhe s MET 92 Cb -0.15 -1.13 0.12 0.00 2.01 0.00 0.00 34.83 35.68 1uhe s MET 92 CO 0.08 0.24 0.95 0.54 -0.01 0.00 0.00 175.02 176.83 1uhe s ASN 93 N -2.11 4.51 0.17 3.03 2.20 -1.26 -4.86 114.94 116.62 1uhe s ASN 93 Ca 0.06 -0.45 -0.16 0.00 -0.94 0.00 0.00 52.86 51.37 1uhe s ASN 93 Cb -0.08 0.03 0.12 0.00 -2.00 0.00 0.00 41.25 39.31 1uhe s ASN 93 CO 0.04 -1.75 1.68 1.05 -2.94 0.00 0.00 177.10 175.18 1uhe h GLU 94 N -0.38 0.06 -0.67 3.55 4.11 -2.01 -0.96 114.58 118.28 1uhe h GLU 94 Ca -0.35 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.01 1uhe h GLU 94 Cb 1.27 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1uhe h GLU 94 CO 0.40 0.04 0.16 -0.44 0.07 0.00 0.00 179.01 179.24 1uhe h ASP 95 N 0.06 1.00 -0.46 3.06 3.32 -2.00 -2.27 116.42 119.13 1uhe h ASP 95 Ca 0.20 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1uhe h ASP 95 Cb 0.30 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1uhe h ASP 95 CO -0.38 0.96 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.76 1uhe h GLU 96 N 1.00 0.88 -0.41 3.56 5.08 -1.81 -2.62 114.58 120.26 1uhe h GLU 96 Ca 0.21 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1uhe h GLU 96 Cb 0.35 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1uhe h GLU 96 CO 0.00 0.88 0.16 0.82 -1.00 0.00 0.00 179.01 179.87 1uhe h ILE 97 N 0.81 1.20 -0.24 3.13 2.04 -0.89 0.60 117.51 124.17 1uhe h ILE 97 Ca 0.15 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1uhe h ILE 97 Cb 0.50 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1uhe h ILE 97 CO 0.02 0.23 0.03 0.78 0.00 0.00 0.00 178.15 179.21 1uhe h ASN 98 N 0.52 0.31 0.17 1.72 2.35 -1.22 -2.71 115.58 116.71 1uhe h ASN 98 Ca 0.14 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1uhe h ASN 98 Cb 0.21 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1uhe h ASN 98 CO -0.01 0.35 -0.65 0.00 -1.65 0.00 0.00 177.43 175.46 1uhe n ALA 99 N -2.49 3.96 -1.77 -0.83 0.00 -1.01 -4.98 120.51 113.40 1uhe n ALA 99 Ca 0.00 -0.51 -0.41 0.00 0.00 0.00 0.00 53.44 52.53 1uhe n ALA 99 Cb 0.18 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 1uhe n ALA 99 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1uhe s HIS 100 N -2.83 3.21 -0.17 0.00 5.04 0.19 -5.04 115.29 115.69 1uhe s HIS 100 Ca 0.13 1.50 -0.01 0.00 -1.54 0.00 0.00 55.06 55.14 1uhe s HIS 100 Cb 0.17 -3.56 0.05 0.00 0.04 0.00 0.00 32.58 29.28 1uhe s HIS 100 CO 0.71 -1.46 -0.02 0.15 -2.34 0.00 0.00 174.74 171.79 1uhe s LYS 101 N -1.68 1.11 0.48 2.88 1.02 -1.26 -5.02 119.74 117.26 1uhe s LYS 101 Ca 0.48 -0.48 -0.22 0.00 0.02 0.00 0.00 55.97 55.77 1uhe s LYS 101 Cb -0.37 -2.01 -0.07 0.00 -0.52 0.00 0.00 37.83 34.86 1uhe s LYS 101 CO 0.49 -0.51 1.12 -1.25 -0.92 0.00 0.00 175.35 174.28 1uhe s PRO 102 N 1.71 3.72 -0.47 -1.68 0.04 -1.25 -4.97 135.00 132.10 1uhe s PRO 102 Ca -0.00 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 62.52 1uhe s PRO 102 Cb -0.16 -2.27 0.08 0.00 0.04 0.00 0.00 34.50 32.19 1uhe s PRO 102 CO -0.07 -0.55 0.38 -1.12 0.04 0.00 0.00 177.00 175.68 1uhe s SER 103 N -1.60 6.04 -0.32 6.66 0.01 -1.26 -3.80 113.70 119.43 1uhe s SER 103 Ca 0.66 -1.45 -0.08 0.00 1.31 0.00 0.00 55.95 56.39 1uhe s SER 103 Cb -0.24 -2.14 0.02 0.00 0.21 0.00 0.00 66.02 63.86 1uhe s SER 103 CO 0.29 -0.66 0.11 -0.63 0.41 0.00 0.00 173.24 172.77 1uhe s ILE 104 N 1.58 4.07 -0.19 1.44 1.01 -0.31 -4.94 121.20 123.88 1uhe s ILE 104 Ca 0.04 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.82 1uhe s ILE 104 Cb -0.25 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1uhe s ILE 104 CO 0.05 -0.04 0.03 -0.69 0.00 0.00 0.00 174.94 174.29 1uhe s VAL 105 N 1.49 4.38 -0.12 2.92 1.01 -1.26 -0.82 120.40 128.00 1uhe s VAL 105 Ca 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1uhe s VAL 105 Cb -0.18 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1uhe s VAL 105 CO 0.04 0.45 -0.03 -0.76 0.00 0.00 0.00 175.10 174.79 1uhe s LEU 106 N 0.60 3.32 0.29 3.92 1.43 0.32 -4.99 118.68 123.57 1uhe s LEU 106 Ca 0.01 -0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.14 1uhe s LEU 106 Cb -0.13 -1.78 -0.06 0.00 0.03 0.00 0.00 46.19 44.25 1uhe s LEU 106 CO 0.02 0.25 -0.06 0.68 0.23 0.00 0.00 176.35 177.47 1uhe s VAL 107 N -0.13 1.72 0.11 -1.59 -7.23 -1.26 -0.28 120.40 111.74 1uhe s VAL 107 Ca 0.03 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 1uhe s VAL 107 Cb -0.13 -2.48 0.02 0.00 0.56 0.00 0.00 36.38 34.36 1uhe s VAL 107 CO 0.02 -0.28 0.15 -0.90 -0.31 0.00 0.00 175.10 173.78 1uhe n ASP 108 N -0.61 0.24 0.27 4.85 5.68 -0.11 -4.83 116.55 122.05 1uhe n ASP 108 Ca -0.05 -1.20 0.18 0.00 -0.50 0.00 0.00 54.79 53.23 1uhe n ASP 108 Cb 0.63 -0.10 0.93 0.00 -1.14 0.00 0.00 41.12 41.45 1uhe n ASP 108 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1uhe h GLU 109 N 0.00 0.00 -0.67 0.11 9.09 -2.02 -0.67 114.58 120.42 1uhe h GLU 109 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.36 1uhe h GLU 109 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.30 1uhe h GLU 109 CO 0.06 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.75 1uhe n LYS 110 N -2.83 2.88 -2.00 1.06 5.02 -1.26 -4.93 118.16 116.10 1uhe n LYS 110 Ca -0.02 -2.62 -0.15 0.00 -2.02 0.00 0.00 58.31 53.51 1uhe n LYS 110 Cb 0.12 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 1uhe n LYS 110 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1uhe n ASN 111 N 1.42 -4.61 -4.84 4.39 5.03 -0.26 -4.68 115.26 111.71 1uhe n ASN 111 Ca 0.23 0.11 -0.36 0.00 0.87 0.00 0.00 54.58 55.44 1uhe n ASN 111 Cb 0.63 -3.65 -0.06 0.00 -1.02 0.00 0.00 39.78 35.69 1uhe n ASN 111 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1uhe s GLU 112 N -4.26 4.01 0.01 3.52 0.41 -1.26 -4.79 118.70 116.34 1uhe s GLU 112 Ca 0.00 0.53 -0.30 0.00 -0.41 0.00 0.00 54.97 54.79 1uhe s GLU 112 Cb 0.00 -2.95 -0.06 0.00 -1.78 0.00 0.00 34.13 29.34 1uhe s GLU 112 CO 0.00 0.49 1.48 0.42 -0.49 0.00 0.00 175.26 177.16 1uhe s ILE 113 N -1.44 3.56 -0.24 -1.63 -1.09 -1.26 -0.93 121.20 118.17 1uhe s ILE 113 Ca 0.37 0.93 -0.01 0.00 -2.23 0.00 0.00 60.65 59.71 1uhe s ILE 113 Cb -0.15 -3.60 -0.14 0.00 -1.58 0.00 0.00 42.46 36.99 1uhe s ILE 113 CO 0.19 -0.01 -0.23 0.18 -1.23 0.00 0.00 174.94 173.84 1uhe n LEU 114 N 5.64 2.78 -3.68 2.97 4.77 0.62 -4.90 117.00 125.19 1uhe n LEU 114 Ca 0.14 -0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 1uhe n LEU 114 Cb 0.43 -0.80 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 1uhe n LEU 114 CO 0.60 0.83 0.13 -1.61 -1.33 0.00 0.00 177.39 176.01 1uhe s GLU 115 N -2.46 0.92 -0.12 3.23 2.02 -0.93 -4.99 118.70 116.37 1uhe s GLU 115 Ca -0.32 -0.42 -0.04 0.00 0.02 0.00 0.00 54.97 54.22 1uhe s GLU 115 Cb 0.09 0.41 0.06 0.00 0.10 0.00 0.00 34.13 34.78 1uhe s GLU 115 CO 0.52 -0.32 0.16 0.21 0.02 0.00 0.00 175.26 175.85 1uhe s LYS 116 N -2.62 0.06 0.33 1.61 2.20 -1.26 -0.52 119.74 119.55 1uhe s LYS 116 Ca -0.04 0.37 0.10 0.00 -0.36 0.00 0.00 55.97 56.04 1uhe s LYS 116 Cb -0.01 -0.74 -0.06 0.00 -1.51 0.00 0.00 37.83 35.51 1uhe s LYS 116 CO -0.03 -0.44 -0.11 0.20 -0.36 0.00 0.00 175.35 174.60 1uhe s GLY 117 N 2.27 2.15 -0.17 5.54 0.00 0.00 -4.96 107.32 112.15 1uhe s GLY 117 Ca 0.04 -2.06 0.16 0.00 0.00 0.00 0.00 44.72 42.86 1uhe s GLY 117 CO -0.07 -2.02 1.24 1.04 0.00 0.00 0.00 173.10 173.29 1uhe n LEU 118 N -0.77 2.87 -3.64 0.66 4.77 -1.25 -1.16 117.00 118.48 1uhe n LEU 118 Ca -0.05 -3.35 -0.13 0.00 -0.03 0.00 0.00 56.01 52.45 1uhe n LEU 118 Cb 0.63 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1uhe n LEU 118 CO 0.43 0.93 0.19 -1.83 -1.33 0.00 0.00 177.39 175.77 1uhe s GLU 119 N -3.00 0.94 0.52 3.23 -1.05 -1.25 -3.86 118.70 114.23 1uhe s GLU 119 Ca 0.36 -0.30 -0.19 0.00 -0.15 0.00 0.00 54.97 54.69 1uhe s GLU 119 Cb 0.32 0.42 -0.07 0.00 -0.44 0.00 0.00 34.13 34.37 1uhe s GLU 119 CO 0.01 -0.32 1.06 -1.01 0.95 0.00 0.00 175.26 175.95 1uhe s HIS 120 N -2.36 2.93 0.33 4.83 3.76 -1.26 -4.90 115.29 118.61 1uhe s HIS 120 Ca -0.06 1.56 -0.20 0.00 -0.15 0.00 0.00 55.06 56.21 1uhe s HIS 120 Cb -0.01 -3.10 -0.10 0.00 1.11 0.00 0.00 32.58 30.48 1uhe s HIS 120 CO -0.01 -1.03 0.84 -1.58 -0.85 0.00 0.00 174.74 172.10 1uhe s HIS 121 N -2.02 3.49 0.00 1.40 2.46 -1.26 -5.22 115.29 114.14 1uhe s HIS 121 Ca 0.68 1.49 0.00 0.00 0.47 0.00 0.00 55.06 57.70 1uhe s HIS 121 Cb -0.18 -2.73 0.00 0.00 -0.13 0.00 0.00 32.58 29.55 1uhe s HIS 121 CO 0.24 0.12 0.15 0.72 -2.47 0.00 0.00 174.74 173.50