#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucr s GLU 2 N 0.00 2.30 0.20 2.12 -1.05 -1.26 -4.70 118.70 116.30 1ucr s GLU 2 Ca 0.00 1.66 -0.11 0.00 -0.15 0.00 0.00 54.97 56.36 1ucr s GLU 2 Cb 0.00 -1.86 0.16 0.00 -0.44 0.00 0.00 34.13 31.98 1ucr s GLU 2 CO 0.00 -1.69 1.84 1.49 0.95 0.00 0.00 175.26 177.85 1ucr h GLU 3 N -0.23 0.76 -0.57 -4.83 4.81 -2.05 -0.07 114.58 112.39 1ucr h GLU 3 Ca -0.47 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 58.62 1ucr h GLU 3 Cb 1.28 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 1ucr h GLU 3 CO 0.51 0.50 0.02 0.00 -0.73 0.00 0.00 179.01 179.31 1ucr h ALA 4 N 1.27 0.77 -0.54 2.92 0.00 -2.00 -0.49 119.26 121.20 1ucr h ALA 4 Ca 0.25 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ucr h ALA 4 Cb 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1ucr h ALA 4 CO -0.10 0.59 0.31 0.87 0.00 0.00 0.00 179.25 180.92 1ucr h LYS 5 N 0.89 0.74 -0.28 0.00 1.57 -1.79 -2.11 116.57 115.59 1ucr h LYS 5 Ca 0.17 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1ucr h LYS 5 Cb 0.52 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1ucr h LYS 5 CO 0.03 0.55 0.00 0.37 -0.57 0.00 0.00 179.45 179.83 1ucr h GLN 6 N 0.72 0.43 -0.60 3.15 5.75 -0.63 -1.04 115.11 122.89 1ucr h GLN 6 Ca 0.19 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.58 1ucr h GLN 6 Cb 0.02 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 1ucr h GLN 6 CO -0.03 0.45 0.24 -0.22 -2.65 0.00 0.00 178.83 176.62 1ucr h LYS 7 N 0.41 0.90 -0.21 1.69 3.64 -0.74 0.11 116.57 122.37 1ucr h LYS 7 Ca 0.09 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1ucr h LYS 7 Cb 0.27 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1ucr h LYS 7 CO 0.01 0.76 0.10 0.28 -2.27 0.00 0.00 179.45 178.33 1ucr h VAL 8 N 0.83 1.14 -0.54 2.00 2.07 -0.70 -1.24 116.25 119.82 1ucr h VAL 8 Ca 0.20 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1ucr h VAL 8 Cb 0.20 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1ucr h VAL 8 CO -0.02 0.14 0.31 0.58 0.02 0.00 0.00 177.57 178.60 1ucr h VAL 9 N 0.20 1.18 -0.40 2.57 2.07 -0.99 -2.23 116.25 118.65 1ucr h VAL 9 Ca 0.07 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 1ucr h VAL 9 Cb 0.13 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1ucr h VAL 9 CO -0.01 0.19 -0.07 0.44 0.02 0.00 0.00 177.57 178.13 1ucr h ASP 10 N 0.73 0.67 -0.59 0.57 3.32 -0.69 0.27 116.42 120.70 1ucr h ASP 10 Ca 0.19 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1ucr h ASP 10 Cb 0.03 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1ucr h ASP 10 CO -0.03 0.79 0.38 0.15 -1.72 0.00 0.00 179.24 178.81 1ucr h PHE 11 N 0.64 0.75 0.00 4.55 3.57 -0.85 -3.04 116.94 122.55 1ucr h PHE 11 Ca 0.12 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.48 1ucr h PHE 11 Cb 0.51 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1ucr h PHE 11 CO 0.02 0.48 -0.72 -0.07 -2.23 0.00 0.00 178.31 175.79 1ucr h LEU 12 N 0.80 0.00 -6.59 0.59 3.38 -0.99 -3.39 115.31 109.11 1ucr h LEU 12 Ca 0.21 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.45 1ucr h LEU 12 Cb -0.08 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.55 1ucr h LEU 12 CO -0.05 0.72 2.24 -3.20 0.09 0.00 0.00 178.44 178.24 1ucr n ASN 13 N -3.32 4.78 -3.58 -0.43 4.05 0.05 -4.13 115.26 112.67 1ucr n ASN 13 Ca 0.01 -3.01 -0.13 0.00 0.45 0.00 0.00 54.58 51.89 1ucr n ASN 13 Cb 0.81 -1.55 -0.05 0.00 1.23 0.00 0.00 39.78 40.21 1ucr n ASN 13 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1ucr s SER 14 N 1.94 -0.41 0.03 1.20 1.04 -1.26 -4.93 113.70 111.31 1ucr s SER 14 Ca 0.43 0.12 -0.32 0.00 0.48 0.00 0.00 55.95 56.67 1ucr s SER 14 Cb 0.09 0.49 -0.17 0.00 0.10 0.00 0.00 66.02 66.52 1ucr s SER 14 CO -0.01 -0.73 1.31 0.50 0.98 0.00 0.00 173.24 175.29 1ucr h LYS 15 N 2.77 -1.09 -6.51 4.02 3.64 -1.95 -0.75 116.57 116.69 1ucr h LYS 15 Ca -0.31 0.07 -0.58 0.00 -1.27 0.00 0.00 60.65 58.56 1ucr h LYS 15 Cb 1.22 0.25 0.06 0.00 -0.41 0.00 0.00 32.23 33.35 1ucr h LYS 15 CO 0.42 -0.73 0.78 0.45 -2.27 0.00 0.00 179.45 178.10 1ucr n SER 16 N -5.53 3.06 0.00 4.20 2.88 -1.26 -1.49 113.62 115.48 1ucr n SER 16 Ca -0.14 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1ucr n SER 16 Cb 0.45 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1ucr n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ucr n GLY 17 N 3.29 3.20 0.06 0.46 0.00 -1.26 -4.69 105.19 106.26 1ucr n GLY 17 Ca 0.16 -0.91 0.12 0.00 0.00 0.00 0.00 46.02 45.40 1ucr n GLY 17 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ucr n SER 18 N 0.00 0.66 0.01 1.61 3.41 -0.29 -4.07 113.62 114.94 1ucr n SER 18 Ca 0.00 0.24 0.13 0.00 -0.26 0.00 0.00 58.87 58.98 1ucr n SER 18 Cb 0.00 -0.16 0.48 0.00 -0.26 0.00 0.00 64.21 64.27 1ucr n SER 18 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ucr n LYS 19 N -2.04 0.02 -4.43 4.33 5.02 -1.14 -4.93 118.16 114.99 1ucr n LYS 19 Ca 0.04 0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.11 1ucr n LYS 19 Cb 0.42 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.81 1ucr n LYS 19 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1ucr s SER 20 N -3.09 3.30 -0.16 4.39 0.01 -1.26 -5.14 113.70 111.76 1ucr s SER 20 Ca 0.13 -1.00 -0.07 0.00 1.31 0.00 0.00 55.95 56.32 1ucr s SER 20 Cb 0.18 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 66.12 1ucr s SER 20 CO 0.59 -0.00 0.08 -0.54 0.41 0.00 0.00 173.24 173.78 1ucr s LYS 21 N -3.40 3.74 -0.09 12.44 1.02 -1.26 -4.87 119.74 127.33 1ucr s LYS 21 Ca 0.26 -0.29 0.04 0.00 0.02 0.00 0.00 55.97 56.00 1ucr s LYS 21 Cb -0.04 -3.17 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 1ucr s LYS 21 CO 0.12 0.45 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.72 1ucr s PHE 22 N -0.11 2.57 0.34 3.18 0.08 -1.26 -5.08 117.98 117.70 1ucr s PHE 22 Ca 0.08 -0.83 0.07 0.00 0.12 0.00 0.00 56.93 56.36 1ucr s PHE 22 Cb -0.12 -1.69 -0.02 0.00 -0.57 0.00 0.00 43.02 40.62 1ucr s PHE 22 CO 0.01 -0.29 0.39 0.71 -0.10 0.00 0.00 175.22 175.94 1ucr s TYR 23 N 0.13 2.99 0.21 0.36 1.51 -1.26 -1.62 117.35 119.67 1ucr s TYR 23 Ca -0.11 -0.27 -0.15 0.00 -1.01 0.00 0.00 57.07 55.53 1ucr s TYR 23 Cb -0.16 -1.93 0.22 0.00 -0.11 0.00 0.00 41.96 39.98 1ucr s TYR 23 CO 0.06 0.05 1.62 0.35 -1.11 0.00 0.00 175.55 176.53 1ucr h PHE 24 N 1.04 -0.42 0.00 2.71 3.57 -1.54 0.24 116.94 122.55 1ucr h PHE 24 Ca -0.45 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.08 1ucr h PHE 24 Cb 1.26 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 40.27 1ucr h PHE 24 CO 0.47 -0.29 -0.13 -0.91 -2.23 0.00 0.00 178.31 175.22 1ucr h ASN 25 N -0.03 0.00 -0.46 0.41 4.21 -1.96 -0.70 115.58 117.05 1ucr h ASN 25 Ca 0.29 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.74 1ucr h ASN 25 Cb 0.48 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.65 1ucr h ASN 25 CO -0.65 0.13 0.06 0.44 -1.29 0.00 0.00 177.43 176.12 1ucr h ASP 26 N 0.00 0.80 -0.12 5.81 3.32 -1.33 -0.24 116.42 124.66 1ucr h ASP 26 Ca -0.00 -0.18 -0.20 0.00 0.02 0.00 0.00 57.03 56.67 1ucr h ASP 26 Cb 0.51 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1ucr h ASP 26 CO 0.02 0.83 -0.68 -0.26 -1.72 0.00 0.00 179.24 177.43 1ucr h PHE 27 N 0.80 0.98 -0.02 4.55 -1.00 -1.04 -3.00 116.94 118.22 1ucr h PHE 27 Ca 0.16 -0.40 -0.06 0.00 2.81 0.00 0.00 57.97 60.48 1ucr h PHE 27 Cb 0.40 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 1ucr h PHE 27 CO 0.02 1.21 -0.26 1.79 -1.61 0.00 0.00 178.31 179.46 1ucr h THR 28 N 0.54 1.20 0.00 -1.55 1.35 -1.19 -0.89 112.91 112.36 1ucr h THR 28 Ca -0.02 -0.94 -0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1ucr h THR 28 Cb 1.29 1.48 -0.00 0.00 -1.73 0.00 0.00 68.15 69.19 1ucr h THR 28 CO 0.14 0.27 -0.00 0.44 -0.25 0.00 0.00 175.52 176.12 1ucr h ASP 29 N 0.03 0.00 0.53 5.36 3.32 -0.90 -1.74 116.42 123.02 1ucr h ASP 29 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ucr h ASP 29 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1ucr h ASP 29 CO 0.04 0.00 -0.28 0.18 -1.72 0.00 0.00 179.24 177.46 1ucr n LEU 30 N -3.96 0.47 -3.18 1.55 4.77 -0.35 -4.29 117.00 112.01 1ucr n LEU 30 Ca -0.03 0.06 -0.25 0.00 -0.03 0.00 0.00 56.01 55.77 1ucr n LEU 30 Cb 0.09 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 40.85 1ucr n LEU 30 CO 0.29 0.10 -0.03 0.49 -1.33 0.00 0.00 177.39 176.91 1ucr n PHE 31 N -1.26 2.34 0.30 -1.77 3.01 -0.65 -4.96 117.46 114.47 1ucr n PHE 31 Ca 0.09 -3.93 0.17 0.00 1.01 0.00 0.00 57.45 54.79 1ucr n PHE 31 Cb 0.33 -0.47 0.95 0.00 -0.01 0.00 0.00 39.48 40.28 1ucr n PHE 31 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1ucr h PRO 32 N 3.54 0.00 -0.01 -1.08 0.13 -1.75 -1.46 132.00 131.38 1ucr h PRO 32 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1ucr h PRO 32 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1ucr h PRO 32 CO 0.69 0.03 -0.08 -0.25 -0.23 0.00 0.00 178.00 178.16 1ucr n ASP 33 N -3.53 0.82 -4.82 1.44 8.00 -1.26 -4.88 116.55 112.32 1ucr n ASP 33 Ca -0.03 -1.00 -0.31 0.00 0.71 0.00 0.00 54.79 54.16 1ucr n ASP 33 Cb 0.13 -0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 1ucr n ASP 33 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1ucr s MET 34 N -2.24 3.08 0.57 -1.24 -1.94 -0.55 -5.11 119.30 111.87 1ucr s MET 34 Ca 0.34 -0.59 -0.19 0.00 -1.71 0.00 0.00 55.69 53.54 1ucr s MET 34 Cb 0.21 -2.84 -0.04 0.00 2.01 0.00 0.00 34.83 34.16 1ucr s MET 34 CO 0.42 0.59 1.20 0.15 -0.01 0.00 0.00 175.02 177.37 1ucr s LYS 35 N -2.36 3.10 0.30 2.03 1.02 -1.26 -4.93 119.74 117.63 1ucr s LYS 35 Ca 0.30 1.82 0.02 0.00 0.02 0.00 0.00 55.97 58.13 1ucr s LYS 35 Cb -0.12 -1.99 0.57 0.00 -0.52 0.00 0.00 37.83 35.77 1ucr s LYS 35 CO 0.23 -1.10 1.86 1.96 -0.92 0.00 0.00 175.35 177.38 1ucr h GLN 36 N 1.05 0.95 -0.38 1.68 1.08 -1.98 -1.48 115.11 116.04 1ucr h GLN 36 Ca -0.50 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 56.59 1ucr h GLN 36 Cb 1.29 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 28.49 1ucr h GLN 36 CO 0.56 0.63 0.02 -0.09 -0.95 0.00 0.00 178.83 179.00 1ucr h ARG 37 N 0.98 0.60 -0.57 1.46 2.43 -1.99 0.23 114.38 117.52 1ucr h ARG 37 Ca 0.46 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 59.40 1ucr h ARG 37 Cb 0.43 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1ucr h ARG 37 CO -0.22 0.60 -0.07 1.49 -1.51 0.00 0.00 179.97 180.26 1ucr h GLU 38 N 0.57 1.05 -0.50 0.20 4.81 -1.65 -0.85 114.58 118.21 1ucr h GLU 38 Ca 0.12 -0.36 -0.11 0.00 -0.13 0.00 0.00 59.36 58.88 1ucr h GLU 38 Cb 0.33 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1ucr h GLU 38 CO 0.01 1.06 -0.10 0.28 -0.73 0.00 0.00 179.01 179.53 1ucr h VAL 39 N 0.94 1.27 -0.87 0.32 2.07 -1.13 -1.13 116.25 117.72 1ucr h VAL 39 Ca 0.15 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.47 1ucr h VAL 39 Cb 0.63 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1ucr h VAL 39 CO 0.04 0.43 0.57 0.50 0.02 0.00 0.00 177.57 179.13 1ucr h LYS 40 N 0.81 1.06 -0.34 1.57 1.63 -0.70 -0.95 116.57 119.66 1ucr h LYS 40 Ca 0.13 -0.06 -0.15 0.00 -0.85 0.00 0.00 60.65 59.72 1ucr h LYS 40 Cb 0.65 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 1ucr h LYS 40 CO 0.04 0.70 -0.39 0.87 -3.45 0.00 0.00 179.45 177.23 1ucr h LYS 41 N 1.10 0.81 -0.21 1.90 1.57 -0.77 -0.37 116.57 120.60 1ucr h LYS 41 Ca 0.34 -0.42 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1ucr h LYS 41 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1ucr h LYS 41 CO -0.10 1.06 0.12 0.82 -0.57 0.00 0.00 179.45 180.78 1ucr h ILE 42 N 0.67 1.02 -0.37 1.86 2.04 -0.75 -0.93 117.51 121.04 1ucr h ILE 42 Ca 0.05 -0.09 -0.12 0.00 1.00 0.00 0.00 64.86 65.71 1ucr h ILE 42 Cb 0.96 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1ucr h ILE 42 CO 0.09 0.05 -0.26 -0.07 0.00 0.00 0.00 178.15 177.95 1ucr h LEU 43 N 0.25 0.79 -0.74 1.44 3.38 -1.11 -2.28 115.31 117.04 1ucr h LEU 43 Ca 0.08 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1ucr h LEU 43 Cb 0.00 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1ucr h LEU 43 CO -0.04 1.01 0.08 0.74 0.09 0.00 0.00 178.44 180.31 1ucr h THR 44 N 0.66 1.26 -0.69 0.22 2.02 -0.90 -0.49 112.91 114.99 1ucr h THR 44 Ca 0.08 -1.04 0.01 0.00 0.77 0.00 0.00 66.41 66.23 1ucr h THR 44 Cb 0.78 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1ucr h THR 44 CO 0.06 0.39 0.46 0.00 0.37 0.00 0.00 175.52 176.80 1ucr h ALA 45 N 1.10 0.87 -0.36 6.16 0.00 -0.95 0.20 119.26 126.28 1ucr h ALA 45 Ca 0.19 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1ucr h ALA 45 Cb 0.45 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ucr h ALA 45 CO 0.02 0.29 -0.04 -0.07 0.00 0.00 0.00 179.25 179.44 1ucr h LEU 46 N 0.93 0.57 -0.31 0.00 3.38 -0.94 -0.80 115.31 118.13 1ucr h LEU 46 Ca 0.25 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1ucr h LEU 46 Cb -0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1ucr h LEU 46 CO -0.06 0.67 -0.06 0.58 0.09 0.00 0.00 178.44 179.66 1ucr h VAL 47 N 0.56 1.28 -0.91 1.22 2.07 -0.54 -1.39 116.25 118.54 1ucr h VAL 47 Ca 0.11 -1.08 0.08 0.00 0.82 0.00 0.00 66.70 66.63 1ucr h VAL 47 Cb 0.42 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 1ucr h VAL 47 CO 0.02 0.35 0.56 0.78 0.02 0.00 0.00 177.57 179.30 1ucr h ASN 48 N 0.36 0.85 0.96 0.57 -0.26 -0.24 -0.18 115.58 117.65 1ucr h ASN 48 Ca 0.08 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 1ucr h ASN 48 Cb 0.54 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 1ucr h ASN 48 CO 0.03 0.51 0.00 0.47 -1.06 0.00 0.00 177.43 177.38 1ucr n ASP 49 N -4.63 0.32 -0.79 5.81 10.43 -0.34 -4.91 116.55 122.44 1ucr n ASP 49 Ca 0.14 0.55 -0.09 0.00 2.57 0.00 0.00 54.79 57.96 1ucr n ASP 49 Cb 0.24 -0.63 -0.03 0.00 1.84 0.00 0.00 41.12 42.54 1ucr n ASP 49 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1ucr n GLU 50 N -1.82 -0.66 -0.02 -1.24 1.02 -0.08 -4.90 120.64 112.94 1ucr n GLU 50 Ca 0.05 0.72 -0.17 0.00 -0.02 0.00 0.00 57.16 57.74 1ucr n GLU 50 Cb 0.31 -4.64 -0.08 0.00 -0.02 0.00 0.00 31.44 27.01 1ucr n GLU 50 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ucr h VAL 51 N 0.00 1.30 -2.13 2.62 2.07 -1.52 -3.42 116.25 115.17 1ucr h VAL 51 Ca -0.20 -1.95 -0.53 0.00 0.82 0.00 0.00 66.70 64.85 1ucr h VAL 51 Cb 0.75 2.08 -0.07 0.00 -1.52 0.00 0.00 31.29 32.53 1ucr h VAL 51 CO 0.27 0.61 -0.56 -0.76 0.02 0.00 0.00 177.57 177.15 1ucr s LEU 52 N -8.45 3.52 0.20 2.57 1.43 -0.79 -1.03 118.68 116.13 1ucr s LEU 52 Ca -0.11 -0.46 0.10 0.00 -1.03 0.00 0.00 54.13 52.62 1ucr s LEU 52 Cb 0.08 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1ucr s LEU 52 CO 0.88 -0.08 -0.20 -1.83 0.23 0.00 0.00 176.35 175.35 1ucr s GLU 53 N -3.80 1.42 0.15 1.70 -1.05 0.31 -4.23 118.70 113.19 1ucr s GLU 53 Ca 0.34 -1.53 -0.12 0.00 -0.15 0.00 0.00 54.97 53.51 1ucr s GLU 53 Cb -0.07 -1.52 0.01 0.00 -0.44 0.00 0.00 34.13 32.11 1ucr s GLU 53 CO 0.23 0.31 0.34 1.52 0.95 0.00 0.00 175.26 178.60 1ucr s TYR 54 N -2.14 0.11 0.25 4.83 1.13 -1.26 -1.55 117.35 118.71 1ucr s TYR 54 Ca 0.20 -0.48 -0.21 0.00 -1.41 0.00 0.00 57.07 55.18 1ucr s TYR 54 Cb -0.06 0.10 0.03 0.00 -1.10 0.00 0.00 41.96 40.94 1ucr s TYR 54 CO 0.09 -0.72 0.68 1.67 -2.51 0.00 0.00 175.55 174.76 1ucr s TRP 55 N -3.89 -0.26 0.25 -3.49 -2.14 -0.74 -4.99 118.94 103.67 1ucr s TRP 55 Ca 0.10 -0.13 -0.30 0.00 2.66 0.00 0.00 56.10 58.43 1ucr s TRP 55 Cb 0.02 0.65 -0.09 0.00 -3.10 0.00 0.00 33.47 30.96 1ucr s TRP 55 CO -0.06 -1.13 1.09 0.45 -2.66 0.00 0.00 176.95 174.64 1ucr s SER 56 N -2.88 7.29 -0.15 -2.66 0.15 -1.26 -0.83 113.70 113.37 1ucr s SER 56 Ca 0.09 2.20 -0.05 0.00 0.70 0.00 0.00 55.95 58.88 1ucr s SER 56 Cb -0.05 -2.62 0.07 0.00 -1.71 0.00 0.00 66.02 61.72 1ucr s SER 56 CO 0.02 -0.15 0.30 -0.55 1.20 0.00 0.00 173.24 174.06 1ucr s SER 57 N -0.66 0.19 1.78 5.45 0.15 -0.12 -4.84 113.70 115.66 1ucr s SER 57 Ca 0.46 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.80 1ucr s SER 57 Cb -0.31 0.85 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1ucr s SER 57 CO 0.39 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.20 1ucr n GLY 58 N 5.33 3.42 0.61 9.45 0.00 -1.26 -1.26 105.19 121.48 1ucr n GLY 58 Ca -0.07 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.87 1ucr n GLY 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ucr n SER 59 N 4.28 1.81 0.00 1.61 3.41 -1.26 -4.94 113.62 118.53 1ucr n SER 59 Ca 0.00 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 1ucr n SER 59 Cb 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1ucr n SER 59 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1ucr n THR 60 N 0.44 0.00 -4.13 6.66 5.66 -0.39 -5.17 114.28 117.35 1ucr n THR 60 Ca 0.15 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.99 1ucr n THR 60 Cb 0.32 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.99 1ucr n THR 60 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ucr s THR 61 N 0.74 0.88 -0.04 1.09 -4.23 -1.26 -0.94 115.64 111.88 1ucr s THR 61 Ca 0.00 -1.26 0.05 0.00 -1.18 0.00 0.00 61.69 59.31 1ucr s THR 61 Cb 0.00 -0.93 -0.01 0.00 1.34 0.00 0.00 72.50 72.90 1ucr s THR 61 CO 0.00 -0.32 -0.21 -0.32 -0.54 0.00 0.00 174.62 173.23 1ucr s MET 62 N -1.80 2.08 -0.01 3.99 0.00 -0.01 -1.18 119.30 122.38 1ucr s MET 62 Ca -0.04 -0.76 0.07 0.00 0.00 0.00 0.00 55.69 54.95 1ucr s MET 62 Cb -0.09 -1.82 -0.02 0.00 0.00 0.00 0.00 34.83 32.90 1ucr s MET 62 CO 0.01 0.34 -0.21 0.71 0.00 0.00 0.00 175.02 175.88 1ucr s TYR 63 N -0.15 1.88 0.22 4.11 1.51 -0.64 -1.80 117.35 122.47 1ucr s TYR 63 Ca -0.01 -0.36 -0.07 0.00 -1.01 0.00 0.00 57.07 55.62 1ucr s TYR 63 Cb -0.12 -1.20 -0.02 0.00 -0.11 0.00 0.00 41.96 40.51 1ucr s TYR 63 CO 0.02 -0.02 0.29 0.20 -1.11 0.00 0.00 175.55 174.93 1ucr s GLY 64 N -0.57 0.96 0.46 0.71 0.00 -0.60 -4.32 107.32 103.97 1ucr s GLY 64 Ca 0.08 -1.27 -0.24 0.00 0.00 0.00 0.00 44.72 43.29 1ucr s GLY 64 CO -0.01 -1.02 1.30 1.08 0.00 0.00 0.00 173.10 174.46 1ucr s LEU 65 N -3.08 4.06 0.25 0.66 1.43 -1.26 -0.53 118.68 120.21 1ucr s LEU 65 Ca 0.30 2.64 -0.31 0.00 -1.03 0.00 0.00 54.13 55.73 1ucr s LEU 65 Cb 0.03 -4.08 -0.13 0.00 0.03 0.00 0.00 46.19 42.04 1ucr s LEU 65 CO 0.09 -1.10 1.36 1.17 0.23 0.00 0.00 176.35 178.10 1ucr n LYS 66 N -0.36 1.95 0.00 1.70 3.00 -0.20 -1.25 118.16 123.00 1ucr n LYS 66 Ca 0.06 0.69 0.00 0.00 -0.00 0.00 0.00 58.31 59.07 1ucr n LYS 66 Cb 0.45 -2.32 0.00 0.00 0.00 0.00 0.00 35.03 33.16 1ucr n LYS 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ucr n GLY 67 N 1.92 1.81 0.34 3.14 0.00 -1.26 -4.93 105.19 106.21 1ucr n GLY 67 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 1ucr n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ucr h ALA 68 N 0.00 1.03 -0.49 4.61 0.00 -1.53 -0.66 119.26 122.22 1ucr h ALA 68 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ucr h ALA 68 Cb 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1ucr h ALA 68 CO 0.00 0.66 0.31 0.78 0.00 0.00 0.00 179.25 181.00 1ucr h GLY 69 N 1.15 0.69 1.68 0.00 0.00 -1.92 -1.78 103.07 102.89 1ucr h GLY 69 Ca 0.26 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 1ucr h GLY 69 CO -0.02 0.22 -0.71 0.50 0.00 0.00 0.00 176.54 176.53 1ucr h LYS 70 N 0.63 0.00 0.10 4.80 1.57 -1.89 -2.62 116.57 119.15 1ucr h LYS 70 Ca 0.19 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1ucr h LYS 70 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1ucr h LYS 70 CO -0.06 0.36 -0.05 1.96 -0.57 0.00 0.00 179.45 181.09 1ucr h GLN 71 N 0.00 -0.12 -0.48 3.15 4.20 -0.91 -2.28 115.11 118.66 1ucr h GLN 71 Ca -0.04 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1ucr h GLN 71 Cb 1.36 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.15 1ucr h GLN 71 CO 0.05 -0.02 0.19 0.00 -0.67 0.00 0.00 178.83 178.38 1ucr h ALA 72 N 0.70 1.43 -0.38 3.87 0.00 -1.36 -1.92 119.26 121.59 1ucr h ALA 72 Ca -0.01 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1ucr h ALA 72 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ucr h ALA 72 CO 0.02 0.44 -0.36 0.00 0.00 0.00 0.00 179.25 179.35 1ucr h ALA 73 N 1.52 0.62 0.00 0.00 0.00 -1.35 -3.52 119.26 116.54 1ucr h ALA 73 Ca 0.17 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ucr h ALA 73 Cb 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ucr h ALA 73 CO -0.02 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.91