#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 2.62 0.23 2.12 -1.05 -1.26 -4.68 118.70 116.68 1ucr s GLU 2 Ca 0.00 1.59 -0.06 0.00 -0.15 0.00 0.00 54.97 56.34 1ucr s GLU 2 Cb 0.00 -1.91 0.40 0.00 -0.44 0.00 0.00 34.13 32.18 1ucr s GLU 2 CO 0.00 -1.43 1.71 1.49 0.95 0.00 0.00 175.26 177.98 1ucr h GLU 3 N 0.10 0.33 -0.75 -4.83 4.81 -2.05 -0.22 114.58 111.96 1ucr h GLU 3 Ca -0.48 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 1ucr h GLU 3 Cb 1.27 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 1ucr h GLU 3 CO 0.53 0.22 0.27 0.00 -0.73 0.00 0.00 179.01 179.29 1ucr h ALA 4 N 1.54 1.06 -0.45 2.92 0.00 -2.00 -0.27 119.26 122.05 1ucr h ALA 4 Ca 0.38 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1ucr h ALA 4 Cb 0.59 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ucr h ALA 4 CO -0.43 0.65 -0.22 0.87 0.00 0.00 0.00 179.25 180.13 1ucr h LYS 5 N 1.10 0.95 -0.53 0.00 1.57 -1.67 -2.89 116.57 115.09 1ucr h LYS 5 Ca 0.25 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1ucr h LYS 5 Cb 0.25 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1ucr h LYS 5 CO -0.02 1.08 0.32 0.37 -0.57 0.00 0.00 179.45 180.63 1ucr h GLN 6 N 0.79 0.71 -0.46 3.15 5.75 -0.58 -1.58 115.11 122.89 1ucr h GLN 6 Ca 0.10 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.46 1ucr h GLN 6 Cb 0.79 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 1ucr h GLN 6 CO 0.07 0.50 -0.07 0.87 -2.65 0.00 0.00 178.83 177.55 1ucr h LYS 7 N 0.73 0.80 0.27 1.69 1.57 -0.94 0.22 116.57 120.90 1ucr h LYS 7 Ca 0.19 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1ucr h LYS 7 Cb -0.03 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1ucr h LYS 7 CO -0.04 0.85 -0.13 0.28 -0.57 0.00 0.00 179.45 179.84 1ucr h VAL 8 N 0.73 0.74 -0.58 0.50 2.07 -1.17 -1.72 116.25 116.83 1ucr h VAL 8 Ca 0.13 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1ucr h VAL 8 Cb 0.54 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1ucr h VAL 8 CO 0.03 0.01 0.34 0.58 0.02 0.00 0.00 177.57 178.55 1ucr h VAL 9 N -0.38 1.03 -0.64 2.57 2.07 -1.00 -2.07 116.25 117.82 1ucr h VAL 9 Ca -0.04 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 1ucr h VAL 9 Cb 0.29 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1ucr h VAL 9 CO 0.06 0.12 0.21 0.44 0.02 0.00 0.00 177.57 178.42 1ucr h ASP 10 N 0.66 0.91 -0.23 0.57 3.32 -0.49 0.11 116.42 121.27 1ucr h ASP 10 Ca 0.24 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1ucr h ASP 10 Cb 0.06 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1ucr h ASP 10 CO -0.12 0.84 0.15 0.15 -1.72 0.00 0.00 179.24 178.54 1ucr h PHE 11 N 0.95 0.29 -0.14 4.55 3.57 -0.99 -3.09 116.94 122.08 1ucr h PHE 11 Ca 0.21 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.60 1ucr h PHE 11 Cb 0.26 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1ucr h PHE 11 CO 0.02 0.20 -0.41 -0.07 -2.23 0.00 0.00 178.31 175.81 1ucr h LEU 12 N 0.30 0.33 -5.82 0.59 3.38 -0.91 -3.31 115.31 109.87 1ucr h LEU 12 Ca 0.08 -0.14 -0.73 0.00 0.09 0.00 0.00 57.88 57.18 1ucr h LEU 12 Cb -0.02 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.54 1ucr h LEU 12 CO -0.02 0.71 2.61 -3.20 0.09 0.00 0.00 178.44 178.64 1ucr n ASN 13 N -4.02 6.83 -4.11 -0.43 5.15 0.35 -4.88 115.26 114.15 1ucr n ASN 13 Ca -0.02 -3.01 -0.19 0.00 -0.60 0.00 0.00 54.58 50.77 1ucr n ASN 13 Cb 0.49 -1.46 -0.13 0.00 -0.53 0.00 0.00 39.78 38.15 1ucr n ASN 13 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1ucr s SER 14 N 1.10 1.44 -0.12 1.20 0.01 -1.25 -4.93 113.70 111.16 1ucr s SER 14 Ca 0.51 -0.40 -0.21 0.00 1.31 0.00 0.00 55.95 57.16 1ucr s SER 14 Cb 0.15 -0.09 -0.18 0.00 0.21 0.00 0.00 66.02 66.10 1ucr s SER 14 CO -0.06 0.02 0.62 0.50 0.41 0.00 0.00 173.24 174.73 1ucr h LYS 15 N 5.10 -0.02 -6.07 12.44 3.64 -1.93 -3.43 116.57 126.29 1ucr h LYS 15 Ca -0.36 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.42 1ucr h LYS 15 Cb 1.18 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 1ucr h LYS 15 CO 0.45 0.65 -0.18 -1.12 -2.27 0.00 0.00 179.45 176.98 1ucr s SER 16 N -5.95 6.81 -1.35 4.20 0.01 -1.26 -4.27 113.70 111.89 1ucr s SER 16 Ca -0.14 0.98 -0.02 0.00 1.31 0.00 0.00 55.95 58.09 1ucr s SER 16 Cb -0.02 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1ucr s SER 16 CO 0.50 0.28 0.21 0.61 0.41 0.00 0.00 173.24 175.25 1ucr n GLY 17 N 1.59 -0.30 3.54 3.44 0.00 -1.26 -5.01 105.19 107.20 1ucr n GLY 17 Ca -0.12 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 1ucr n GLY 17 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ucr s SER 18 N -2.47 2.95 0.33 1.61 0.15 -1.26 -5.11 113.70 109.90 1ucr s SER 18 Ca 0.10 -1.55 -0.18 0.00 0.70 0.00 0.00 55.95 55.02 1ucr s SER 18 Cb -0.05 0.25 0.06 0.00 -1.71 0.00 0.00 66.02 64.58 1ucr s SER 18 CO 0.13 -0.78 0.86 -1.59 1.20 0.00 0.00 173.24 173.06 1ucr s LYS 19 N -3.80 1.97 0.40 5.44 -2.85 -1.26 -5.05 119.74 114.59 1ucr s LYS 19 Ca 0.26 -1.27 0.22 0.00 -1.00 0.00 0.00 55.97 54.18 1ucr s LYS 19 Cb 0.05 0.55 0.62 0.00 -2.06 0.00 0.00 37.83 37.00 1ucr s LYS 19 CO 0.13 -0.92 1.70 0.77 0.10 0.00 0.00 175.35 177.12 1ucr h SER 20 N 2.00 0.00 -5.03 0.03 0.02 -1.96 -3.45 113.55 105.15 1ucr h SER 20 Ca -0.31 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.56 1ucr h SER 20 Cb 1.24 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.61 1ucr h SER 20 CO 0.39 0.25 -0.10 -1.59 -1.14 0.00 0.00 176.83 174.65 1ucr s LYS 21 N -3.39 0.92 0.06 3.45 -2.85 -1.26 -4.22 119.74 112.45 1ucr s LYS 21 Ca 0.02 -0.35 0.03 0.00 -1.00 0.00 0.00 55.97 54.68 1ucr s LYS 21 Cb 0.09 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 36.24 1ucr s LYS 21 CO 0.67 -0.32 -0.10 -0.06 0.10 0.00 0.00 175.35 175.64 1ucr s PHE 22 N -2.45 0.89 0.69 1.78 0.40 -0.06 -4.90 117.98 114.34 1ucr s PHE 22 Ca -0.05 -0.52 -0.15 0.00 -0.60 0.00 0.00 56.93 55.60 1ucr s PHE 22 Cb -0.01 -0.51 0.02 0.00 0.51 0.00 0.00 43.02 43.03 1ucr s PHE 22 CO -0.02 -0.03 1.17 0.71 0.70 0.00 0.00 175.22 177.74 1ucr s TYR 23 N -1.57 2.29 0.27 0.36 1.51 -1.26 -0.72 117.35 118.22 1ucr s TYR 23 Ca -0.05 1.58 -0.02 0.00 -1.01 0.00 0.00 57.07 57.57 1ucr s TYR 23 Cb -0.08 -3.36 0.58 0.00 -0.11 0.00 0.00 41.96 38.99 1ucr s TYR 23 CO 0.01 -2.23 1.65 0.35 -1.11 0.00 0.00 175.55 174.22 1ucr h PHE 24 N -0.09 0.21 0.00 2.71 3.57 -1.51 0.26 116.94 122.09 1ucr h PHE 24 Ca -0.47 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1ucr h PHE 24 Cb 1.28 0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.05 1ucr h PHE 24 CO 0.50 -0.20 0.00 -0.91 -2.23 0.00 0.00 178.31 175.47 1ucr h ASN 25 N 0.19 0.00 -0.43 0.41 2.35 -1.91 -0.93 115.58 115.25 1ucr h ASN 25 Ca 0.49 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.20 1ucr h ASN 25 Cb 0.92 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.27 1ucr h ASN 25 CO -0.64 0.00 0.14 0.44 -1.65 0.00 0.00 177.43 175.72 1ucr h ASP 26 N 0.00 0.67 -0.04 5.81 3.32 -1.29 -0.24 116.42 124.66 1ucr h ASP 26 Ca 0.00 -0.10 -0.24 0.00 0.02 0.00 0.00 57.03 56.70 1ucr h ASP 26 Cb 0.57 -0.17 0.02 0.00 0.22 0.00 0.00 39.33 39.96 1ucr h ASP 26 CO 0.00 0.65 -0.92 -0.26 -1.72 0.00 0.00 179.24 176.99 1ucr h PHE 27 N 0.71 1.02 -0.18 4.55 -1.00 -1.12 -2.24 116.94 118.67 1ucr h PHE 27 Ca 0.16 -0.52 -0.05 0.00 2.81 0.00 0.00 57.97 60.37 1ucr h PHE 27 Cb 0.23 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 1ucr h PHE 27 CO 0.01 1.36 -0.12 1.79 -1.61 0.00 0.00 178.31 179.73 1ucr h THR 28 N 0.39 1.19 -0.81 -1.55 1.35 -1.39 -1.35 112.91 110.73 1ucr h THR 28 Ca -0.10 -0.83 -0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1ucr h THR 28 Cb 1.58 1.19 -0.04 0.00 -1.73 0.00 0.00 68.15 69.14 1ucr h THR 28 CO 0.18 0.26 0.50 0.44 -0.25 0.00 0.00 175.52 176.65 1ucr h ASP 29 N 0.28 0.97 1.04 5.36 3.32 -0.88 -2.78 116.42 123.73 1ucr h ASP 29 Ca 0.06 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1ucr h ASP 29 Cb 0.39 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1ucr h ASP 29 CO 0.02 0.73 -0.49 -0.07 -1.72 0.00 0.00 179.24 177.72 1ucr h LEU 30 N 1.12 0.00 -5.97 1.55 3.38 -0.77 -3.37 115.31 111.25 1ucr h LEU 30 Ca 0.29 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.69 1ucr h LEU 30 Cb -0.06 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.28 1ucr h LEU 30 CO -0.06 0.49 -0.78 0.49 0.09 0.00 0.00 178.44 178.67 1ucr n PHE 31 N -3.44 2.41 0.41 1.13 3.01 -0.57 -4.93 117.46 115.48 1ucr n PHE 31 Ca 0.00 -3.95 0.12 0.00 1.01 0.00 0.00 57.45 54.63 1ucr n PHE 31 Cb 0.62 -0.48 0.49 0.00 -0.01 0.00 0.00 39.48 40.11 1ucr n PHE 31 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1ucr n PRO 32 N 0.75 0.21 0.14 -1.08 -0.04 -1.16 -1.89 135.00 131.92 1ucr n PRO 32 Ca 0.27 0.42 0.13 0.00 -0.04 0.00 0.00 63.50 64.28 1ucr n PRO 32 Cb 0.46 -1.88 0.32 0.00 -0.04 0.00 0.00 33.50 32.36 1ucr n PRO 32 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1ucr h ASP 33 N 0.00 0.00 -3.53 3.54 3.45 -1.91 -3.46 116.42 114.51 1ucr h ASP 33 Ca 0.00 -0.00 -0.52 0.00 0.43 0.00 0.00 57.03 56.93 1ucr h ASP 33 Cb 0.39 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.13 1ucr h ASP 33 CO 0.00 0.00 -0.04 -0.32 -1.57 0.00 0.00 179.24 177.31 1ucr s MET 34 N -3.14 3.88 0.39 3.56 1.75 -0.80 -5.04 119.30 119.91 1ucr s MET 34 Ca 0.09 0.42 -0.27 0.00 -1.25 0.00 0.00 55.69 54.68 1ucr s MET 34 Cb 0.10 -2.59 -0.09 0.00 2.84 0.00 0.00 34.83 35.08 1ucr s MET 34 CO 0.62 0.27 1.37 0.15 -0.65 0.00 0.00 175.02 176.78 1ucr s LYS 35 N -2.82 4.04 0.56 4.11 1.02 -1.26 -4.89 119.74 120.50 1ucr s LYS 35 Ca 0.49 2.31 0.33 0.00 0.02 0.00 0.00 55.97 59.13 1ucr s LYS 35 Cb -0.11 -2.86 1.58 0.00 -0.52 0.00 0.00 37.83 35.92 1ucr s LYS 35 CO 0.20 -0.49 2.08 1.96 -0.92 0.00 0.00 175.35 178.18 1ucr h GLN 36 N 2.85 0.00 -0.30 1.68 4.20 -1.96 -1.00 115.11 120.59 1ucr h GLN 36 Ca -0.50 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.06 1ucr h GLN 36 Cb 1.24 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 1ucr h GLN 36 CO 0.63 0.06 -0.42 0.00 -0.67 0.00 0.00 178.83 178.43 1ucr h ARG 37 N 0.00 0.75 -0.18 1.46 3.08 -2.00 -2.47 114.38 115.02 1ucr h ARG 37 Ca -0.00 -0.40 -0.16 0.00 0.07 0.00 0.00 59.98 59.49 1ucr h ARG 37 Cb 0.38 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1ucr h ARG 37 CO 0.01 1.03 -0.55 1.49 -1.07 0.00 0.00 179.97 180.87 1ucr h GLU 38 N 0.61 0.55 -0.60 0.04 4.57 -1.59 -0.81 114.58 117.35 1ucr h GLU 38 Ca 0.04 -0.35 0.01 0.00 -1.18 0.00 0.00 59.36 57.89 1ucr h GLU 38 Cb 0.98 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.57 1ucr h GLU 38 CO 0.09 0.96 0.39 0.28 -1.18 0.00 0.00 179.01 179.54 1ucr h VAL 39 N 0.42 1.12 -0.75 0.32 2.07 -1.29 0.37 116.25 118.52 1ucr h VAL 39 Ca 0.01 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1ucr h VAL 39 Cb 1.09 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1ucr h VAL 39 CO 0.10 0.14 0.47 0.50 0.02 0.00 0.00 177.57 178.80 1ucr h LYS 40 N 0.78 1.01 -0.49 1.57 1.63 -1.20 -1.17 116.57 118.70 1ucr h LYS 40 Ca 0.23 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 1ucr h LYS 40 Cb -0.05 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.34 1ucr h LYS 40 CO -0.07 0.70 0.17 0.87 -3.45 0.00 0.00 179.45 177.67 1ucr h LYS 41 N 1.03 0.75 -0.19 1.90 1.57 -0.51 -1.00 116.57 120.12 1ucr h LYS 41 Ca 0.27 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 1ucr h LYS 41 Cb -0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1ucr h LYS 41 CO -0.05 0.70 -0.52 -0.84 -0.57 0.00 0.00 179.45 178.17 1ucr h ILE 42 N 0.65 1.32 -0.73 1.86 3.07 -0.67 -1.14 117.51 121.87 1ucr h ILE 42 Ca 0.16 -1.75 -0.04 0.00 1.55 0.00 0.00 64.86 64.78 1ucr h ILE 42 Cb 0.25 1.74 -0.03 0.00 -0.27 0.00 0.00 36.82 38.50 1ucr h ILE 42 CO -0.01 0.54 0.29 -0.07 -1.05 0.00 0.00 178.15 177.86 1ucr h LEU 43 N 0.41 1.01 -0.64 0.16 3.38 -1.11 -1.69 115.31 116.83 1ucr h LEU 43 Ca 0.01 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1ucr h LEU 43 Cb 1.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1ucr h LEU 43 CO 0.10 0.91 0.06 0.74 0.09 0.00 0.00 178.44 180.33 1ucr h THR 44 N 1.05 1.26 -0.75 0.22 2.02 -0.94 -0.22 112.91 115.56 1ucr h THR 44 Ca 0.24 -1.09 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 1ucr h THR 44 Cb 0.21 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1ucr h THR 44 CO -0.02 0.40 0.29 0.00 0.37 0.00 0.00 175.52 176.56 1ucr h ALA 45 N 1.02 1.11 -0.34 6.16 0.00 -0.99 0.34 119.26 126.55 1ucr h ALA 45 Ca 0.19 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1ucr h ALA 45 Cb 0.49 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1ucr h ALA 45 CO 0.02 0.64 -0.11 -0.07 0.00 0.00 0.00 179.25 179.73 1ucr h LEU 46 N 1.09 0.57 -0.34 0.00 3.38 -0.89 -0.92 115.31 118.20 1ucr h LEU 46 Ca 0.25 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1ucr h LEU 46 Cb 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ucr h LEU 46 CO -0.02 0.71 0.02 0.58 0.09 0.00 0.00 178.44 179.83 1ucr h VAL 47 N 0.54 1.25 -0.66 1.22 2.07 -0.46 -1.04 116.25 119.16 1ucr h VAL 47 Ca 0.10 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.71 1ucr h VAL 47 Cb 0.51 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1ucr h VAL 47 CO 0.03 0.30 0.44 0.78 0.02 0.00 0.00 177.57 179.14 1ucr h ASN 48 N 0.41 0.75 0.41 0.57 2.35 -0.54 -0.81 115.58 118.73 1ucr h ASN 48 Ca 0.10 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1ucr h ASN 48 Cb 0.41 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1ucr h ASN 48 CO 0.01 0.54 0.00 0.47 -1.65 0.00 0.00 177.43 176.80 1ucr n ASP 49 N -4.44 0.00 -0.95 5.81 10.43 -0.39 -4.91 116.55 122.11 1ucr n ASP 49 Ca 0.07 -0.37 -0.11 0.00 2.57 0.00 0.00 54.79 56.95 1ucr n ASP 49 Cb 0.05 -0.21 -0.04 0.00 1.84 0.00 0.00 41.12 42.76 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 -1.21 -0.80 0.02 -1.24 1.02 -0.31 -4.88 120.64 113.23 1ucr n GLU 50 Ca 0.17 0.82 -0.15 0.00 -0.02 0.00 0.00 57.16 57.98 1ucr n GLU 50 Cb 0.20 -4.82 -0.04 0.00 -0.02 0.00 0.00 31.44 26.76 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 1.32 -2.16 2.62 2.07 -1.45 -3.41 116.25 115.24 1ucr h VAL 51 Ca -0.24 -2.10 -0.56 0.00 0.82 0.00 0.00 66.70 64.63 1ucr h VAL 51 Cb 0.83 2.10 -0.10 0.00 -1.52 0.00 0.00 31.29 32.60 1ucr h VAL 51 CO 0.33 0.65 -0.64 -0.76 0.02 0.00 0.00 177.57 177.17 1ucr s LEU 52 N -8.17 3.16 0.16 2.57 1.43 -0.88 -1.09 118.68 115.86 1ucr s LEU 52 Ca -0.08 -0.69 0.09 0.00 -1.03 0.00 0.00 54.13 52.42 1ucr s LEU 52 Cb 0.09 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1ucr s LEU 52 CO 0.88 -0.03 -0.15 -1.83 0.23 0.00 0.00 176.35 175.45 1ucr s GLU 53 N -3.68 1.85 0.06 1.70 -1.05 0.62 -4.30 118.70 113.91 1ucr s GLU 53 Ca 0.32 -1.28 0.08 0.00 -0.15 0.00 0.00 54.97 53.94 1ucr s GLU 53 Cb -0.06 -2.08 -0.03 0.00 -0.44 0.00 0.00 34.13 31.52 1ucr s GLU 53 CO 0.20 0.44 -0.21 -0.47 0.95 0.00 0.00 175.26 176.17 1ucr s TYR 54 N -1.49 2.46 0.02 4.83 6.14 -1.26 -1.97 117.35 126.08 1ucr s TYR 54 Ca 0.22 -0.32 0.01 0.00 0.64 0.00 0.00 57.07 57.62 1ucr s TYR 54 Cb -0.09 -1.40 -0.01 0.00 0.42 0.00 0.00 41.96 40.87 1ucr s TYR 54 CO 0.12 0.24 -0.05 -1.58 0.64 0.00 0.00 175.55 174.93 1ucr s TRP 55 N -0.94 0.41 0.23 4.97 0.52 -0.07 -5.00 118.94 119.07 1ucr s TRP 55 Ca 0.14 -0.34 -0.21 0.00 0.02 0.00 0.00 56.10 55.71 1ucr s TRP 55 Cb -0.10 -0.26 -0.08 0.00 -1.15 0.00 0.00 33.47 31.87 1ucr s TRP 55 CO 0.05 -0.08 0.76 0.45 0.02 0.00 0.00 176.95 178.15 1ucr s SER 56 N -0.99 7.14 -0.22 2.95 0.15 -1.26 -0.97 113.70 120.50 1ucr s SER 56 Ca -0.07 1.51 -0.03 0.00 0.70 0.00 0.00 55.95 58.05 1ucr s SER 56 Cb -0.07 -2.45 0.11 0.00 -1.71 0.00 0.00 66.02 61.90 1ucr s SER 56 CO -0.00 0.05 0.26 -0.55 1.20 0.00 0.00 173.24 174.20 1ucr s SER 57 N -1.57 1.16 1.72 5.45 0.15 -0.34 -4.83 113.70 115.44 1ucr s SER 57 Ca 0.43 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.89 1ucr s SER 57 Cb -0.18 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1ucr s SER 57 CO 0.22 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1ucr n GLY 58 N 5.33 3.55 0.49 9.45 0.00 -1.26 -0.54 105.19 122.21 1ucr n GLY 58 Ca -0.05 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 4.88 1.46 0.00 1.61 3.41 -1.26 -4.92 113.62 118.79 1ucr n SER 59 Ca 0.00 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 1ucr n SER 59 Cb 0.00 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 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 0.21 0.00 -4.15 6.66 5.66 0.30 -5.18 114.28 117.77 1ucr n THR 60 Ca 0.14 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.03 1ucr n THR 60 Cb 0.28 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.96 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 0.17 0.70 0.09 1.09 -4.23 -1.26 -1.20 115.64 111.00 1ucr s THR 61 Ca 0.00 -1.78 0.02 0.00 -1.18 0.00 0.00 61.69 58.75 1ucr s THR 61 Cb 0.00 -1.49 -0.04 0.00 1.34 0.00 0.00 72.50 72.31 1ucr s THR 61 CO 0.00 -0.77 -0.07 -0.04 -0.54 0.00 0.00 174.62 173.20 1ucr s MET 62 N -3.40 0.81 0.01 3.99 1.00 -0.14 -1.19 119.30 120.39 1ucr s MET 62 Ca 0.08 -1.25 -0.00 0.00 0.00 0.00 0.00 55.69 54.52 1ucr s MET 62 Cb 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 34.83 34.56 1ucr s MET 62 CO -0.03 0.01 -0.01 0.71 0.00 0.00 0.00 175.02 175.69 1ucr s TYR 63 N -3.18 0.13 0.27 -0.03 1.51 0.10 -0.89 117.35 115.26 1ucr s TYR 63 Ca 0.09 -0.27 -0.13 0.00 -1.01 0.00 0.00 57.07 55.74 1ucr s TYR 63 Cb 0.02 -0.10 0.00 0.00 -0.11 0.00 0.00 41.96 41.78 1ucr s TYR 63 CO -0.03 -0.10 0.54 0.20 -1.11 0.00 0.00 175.55 175.04 1ucr s GLY 64 N -0.78 0.51 0.43 0.71 0.00 -0.83 -0.88 107.32 106.49 1ucr s GLY 64 Ca -0.08 -0.84 -0.25 0.00 0.00 0.00 0.00 44.72 43.55 1ucr s GLY 64 CO -0.01 -0.55 1.27 1.08 0.00 0.00 0.00 173.10 174.90 1ucr s LEU 65 N -3.03 4.13 0.14 0.66 1.43 -1.26 -0.27 118.68 120.49 1ucr s LEU 65 Ca 0.21 2.58 -0.35 0.00 -1.03 0.00 0.00 54.13 55.54 1ucr s LEU 65 Cb -0.02 -4.02 -0.15 0.00 0.03 0.00 0.00 46.19 42.03 1ucr s LEU 65 CO 0.10 -0.94 1.47 1.17 0.23 0.00 0.00 176.35 178.38 1ucr n LYS 66 N -0.13 1.79 0.00 1.70 3.00 -0.25 -1.17 118.16 123.10 1ucr n LYS 66 Ca 0.05 0.64 0.00 0.00 -0.00 0.00 0.00 58.31 59.01 1ucr n LYS 66 Cb 0.45 -2.35 0.00 0.00 0.00 0.00 0.00 35.03 33.12 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 2.97 2.66 0.32 3.14 0.00 -1.26 -4.94 105.19 108.09 1ucr n GLY 67 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 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 1.22 -0.20 4.61 0.00 -1.46 -0.92 119.26 122.51 1ucr h ALA 68 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ucr h ALA 68 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ucr h ALA 68 CO 0.00 0.57 0.13 0.78 0.00 0.00 0.00 179.25 180.73 1ucr h GLY 69 N 1.04 0.28 1.49 0.00 0.00 -1.84 -0.45 103.07 103.59 1ucr h GLY 69 Ca 0.22 -0.11 -0.14 0.00 0.00 0.00 0.00 47.33 47.31 1ucr h GLY 69 CO -0.02 0.11 -0.43 0.50 0.00 0.00 0.00 176.54 176.69 1ucr h LYS 70 N 0.27 0.56 -0.61 4.80 1.57 -1.92 -1.37 116.57 119.87 1ucr h LYS 70 Ca 0.07 -0.30 -0.09 0.00 -1.87 0.00 0.00 60.65 58.47 1ucr h LYS 70 Cb -0.02 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1ucr h LYS 70 CO -0.02 0.89 0.03 0.37 -0.57 0.00 0.00 179.45 180.15 1ucr h GLN 71 N 0.45 1.06 -0.24 3.15 4.15 -0.94 -1.15 115.11 121.60 1ucr h GLN 71 Ca 0.03 -0.32 -0.13 0.00 0.77 0.00 0.00 58.65 59.00 1ucr h GLN 71 Cb 0.94 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.52 1ucr h GLN 71 CO 0.08 1.02 -0.38 0.00 -1.93 0.00 0.00 178.83 177.62 1ucr h ALA 72 N 1.00 0.89 -0.42 3.38 0.00 -0.90 -2.57 119.26 120.63 1ucr h ALA 72 Ca 0.18 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1ucr h ALA 72 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1ucr h ALA 72 CO 0.03 0.63 0.16 0.00 0.00 0.00 0.00 179.25 180.07 1ucr h ALA 73 N 1.13 0.55 -0.67 0.00 0.00 -1.07 -1.70 119.26 117.50 1ucr h ALA 73 Ca 0.04 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1ucr h ALA 73 Cb 0.87 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1ucr h ALA 73 CO 0.07 0.16 0.44 0.00 0.00 0.00 0.00 179.25 179.93 1ucr h ALA 74 N 1.01 1.91 0.00 0.00 0.00 -1.07 -3.51 119.26 117.60 1ucr h ALA 74 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ucr h ALA 74 Cb 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ucr h ALA 74 CO -0.01 -0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.58