#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uvx h LEU 2 N 0.00 0.30 -0.26 1.04 5.85 -1.87 -0.06 115.31 120.31 1uvx h LEU 2 Ca 0.00 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1uvx h LEU 2 Cb 0.00 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 1uvx h LEU 2 CO 0.00 0.17 -0.37 0.15 -0.34 0.00 0.00 178.44 178.05 1uvx h PHE 3 N 0.47 -1.06 -0.72 1.25 3.57 -1.38 0.14 116.94 119.22 1uvx h PHE 3 Ca 0.33 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.86 1uvx h PHE 3 Cb 0.40 0.50 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 1uvx h PHE 3 CO -0.15 -0.43 0.35 0.00 -2.23 0.00 0.00 178.31 175.85 1uvx h ALA 4 N 0.42 0.92 -0.91 2.41 0.00 -1.70 -2.14 119.26 118.26 1uvx h ALA 4 Ca 0.12 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1uvx h ALA 4 Cb 0.58 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1uvx h ALA 4 CO -0.46 0.48 0.58 0.87 0.00 0.00 0.00 179.25 180.73 1uvx h LYS 5 N 1.00 1.06 0.00 0.00 1.57 -0.10 -2.35 116.57 117.75 1uvx h LYS 5 Ca 0.25 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1uvx h LYS 5 Cb 0.11 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1uvx h LYS 5 CO -0.03 0.70 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.23 1uvx h LEU 6 N 1.09 0.00 0.00 2.94 3.38 -0.37 -3.45 115.31 118.90 1uvx h LEU 6 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1uvx h LEU 6 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1uvx h LEU 6 CO -0.15 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.24 1uvx n GLY 7 N -0.55 -0.34 7.00 0.83 0.00 -0.89 -4.82 105.19 106.43 1uvx n GLY 7 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1uvx n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uvx n GLY 8 N 0.00 -1.66 0.32 -0.02 0.00 -0.84 -3.95 105.19 99.04 1uvx n GLY 8 Ca 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 46.02 44.66 1uvx n GLY 8 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1uvx n ARG 9 N -0.04 -0.23 0.01 1.61 0.63 -1.26 -1.41 116.66 115.97 1uvx n ARG 9 Ca 0.00 1.25 -0.11 0.00 -0.92 0.00 0.00 57.85 58.07 1uvx n ARG 9 Cb 0.00 -1.86 -0.06 0.00 0.45 0.00 0.00 32.46 30.99 1uvx n ARG 9 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1uvx h GLU 10 N 0.00 0.10 -0.33 -0.14 4.39 -2.00 -0.73 114.58 115.86 1uvx h GLU 10 Ca 0.25 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 1uvx h GLU 10 Cb 0.46 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1uvx h GLU 10 CO -0.80 0.09 0.21 0.00 -1.16 0.00 0.00 179.01 177.35 1uvx h ALA 11 N 1.00 0.43 -0.16 3.43 0.00 -1.36 -1.73 119.26 120.87 1uvx h ALA 11 Ca 0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1uvx h ALA 11 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1uvx h ALA 11 CO -0.01 -0.08 -0.32 0.28 0.00 0.00 0.00 179.25 179.12 1uvx h VAL 12 N 0.44 1.28 -0.73 0.00 2.07 -1.22 -0.05 116.25 118.04 1uvx h VAL 12 Ca 0.12 -1.33 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 1uvx h VAL 12 Cb -0.00 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1uvx h VAL 12 CO -0.02 0.41 0.23 -0.33 0.02 0.00 0.00 177.57 177.87 1uvx h GLU 13 N 0.27 1.14 -0.15 1.57 5.08 -0.85 -0.87 114.58 120.78 1uvx h GLU 13 Ca 0.04 -0.25 -0.16 0.00 -1.00 0.00 0.00 59.36 57.99 1uvx h GLU 13 Cb 0.70 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1uvx h GLU 13 CO 0.05 0.97 -0.58 0.00 -1.00 0.00 0.00 179.01 178.46 1uvx h ALA 14 N 1.11 0.71 -0.16 3.43 0.00 -0.81 -2.25 119.26 121.29 1uvx h ALA 14 Ca 0.24 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1uvx h ALA 14 Cb 0.31 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1uvx h ALA 14 CO -0.01 0.70 -0.13 0.00 0.00 0.00 0.00 179.25 179.82 1uvx h ALA 15 N 1.01 0.23 -0.71 0.00 0.00 -0.81 -1.62 119.26 117.36 1uvx h ALA 15 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1uvx h ALA 15 Cb 1.12 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1uvx h ALA 15 CO 0.10 0.09 0.29 0.28 0.00 0.00 0.00 179.25 180.02 1uvx h VAL 16 N 0.02 1.25 0.59 0.00 2.07 -1.19 0.18 116.25 119.18 1uvx h VAL 16 Ca 0.03 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1uvx h VAL 16 Cb 0.64 0.42 0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1uvx h VAL 16 CO 0.03 0.31 -0.29 -0.78 0.02 0.00 0.00 177.57 176.87 1uvx h ASP 17 N 1.02 -0.68 -0.11 0.57 -0.00 -1.37 -1.71 116.42 114.13 1uvx h ASP 17 Ca 0.24 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.03 57.22 1uvx h ASP 17 Cb 0.20 0.17 -0.01 0.00 -0.00 0.00 0.00 39.33 39.70 1uvx h ASP 17 CO -0.02 -0.37 0.01 0.50 -0.00 0.00 0.00 179.24 179.36 1uvx h LYS 18 N -0.97 0.28 -0.33 0.28 3.64 -1.28 -2.19 116.57 116.00 1uvx h LYS 18 Ca -0.08 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1uvx h LYS 18 Cb 0.66 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1uvx h LYS 18 CO 0.13 0.30 0.14 0.35 -2.27 0.00 0.00 179.45 178.10 1uvx h PHE 19 N 0.28 0.49 0.00 1.91 3.57 -0.51 -2.98 116.94 119.70 1uvx h PHE 19 Ca 0.07 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1uvx h PHE 19 Cb 0.17 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1uvx h PHE 19 CO 0.00 0.45 0.00 1.88 -2.23 0.00 0.00 178.31 178.41 1uvx h TYR 20 N 0.39 0.00 -0.10 0.41 -1.99 -0.87 -2.42 116.97 112.38 1uvx h TYR 20 Ca 0.11 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.77 1uvx h TYR 20 Cb 0.16 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 1uvx h TYR 20 CO -0.01 0.00 -0.24 -0.91 -0.00 0.00 0.00 178.16 177.00 1uvx h ASN 21 N 0.00 0.17 0.36 3.88 2.35 -1.26 -2.79 115.58 118.28 1uvx h ASN 21 Ca 0.00 -0.05 -0.28 0.00 -0.55 0.00 0.00 56.30 55.42 1uvx h ASN 21 Cb 0.80 -0.04 0.02 0.00 0.05 0.00 0.00 38.32 39.14 1uvx h ASN 21 CO 0.00 0.42 -1.22 0.11 -1.65 0.00 0.00 177.43 175.09 1uvx h LYS 22 N 0.16 0.45 -0.21 0.81 1.57 -1.38 -3.27 116.57 114.70 1uvx h LYS 22 Ca 0.03 -0.65 0.04 0.00 -1.87 0.00 0.00 60.65 58.20 1uvx h LYS 22 Cb 0.52 0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 1uvx h LYS 22 CO 0.04 1.28 -0.04 0.82 -0.57 0.00 0.00 179.45 180.98 1uvx h ILE 23 N 0.18 0.81 0.00 1.86 1.08 -1.19 -1.87 117.51 118.38 1uvx h ILE 23 Ca -0.16 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1uvx h ILE 23 Cb 1.90 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 36.44 1uvx h ILE 23 CO 0.22 0.00 0.00 -0.37 -0.69 0.00 0.00 178.15 177.31 1uvx h VAL 24 N 0.02 0.00 -0.04 1.67 -1.51 -1.65 -2.60 116.25 112.14 1uvx h VAL 24 Ca 0.10 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 1uvx h VAL 24 Cb 0.15 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.58 1uvx h VAL 24 CO -0.20 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.14 1uvx n ALA 25 N -1.80 2.53 -3.48 5.19 0.00 -0.75 -4.78 120.51 117.42 1uvx n ALA 25 Ca 0.04 -0.54 -0.36 0.00 0.00 0.00 0.00 53.44 52.58 1uvx n ALA 25 Cb 0.34 -1.05 -0.13 0.00 0.00 0.00 0.00 19.45 18.62 1uvx n ALA 25 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1uvx s ASP 26 N -1.95 5.08 0.15 0.00 3.68 -0.92 -4.97 116.67 117.75 1uvx s ASP 26 Ca 0.35 -1.24 0.14 0.00 2.13 0.00 0.00 52.55 53.93 1uvx s ASP 26 Cb 0.20 -1.78 0.68 0.00 -1.45 0.00 0.00 42.92 40.57 1uvx s ASP 26 CO 0.32 -0.30 1.43 -2.65 0.13 0.00 0.00 175.17 174.11 1uvx n PRO 27 N 4.70 0.08 0.23 4.34 -0.02 -1.26 0.66 135.00 143.73 1uvx n PRO 27 Ca -0.13 0.48 0.10 0.00 -2.02 0.00 0.00 63.50 61.94 1uvx n PRO 27 Cb 0.44 -1.72 0.53 0.00 -0.02 0.00 0.00 33.50 32.73 1uvx n PRO 27 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1uvx h THR 28 N 0.00 0.62 0.00 3.45 2.02 -1.93 -3.38 112.91 113.69 1uvx h THR 28 Ca 0.00 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1uvx h THR 28 Cb 0.12 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1uvx h THR 28 CO 0.00 0.21 -0.00 1.33 0.37 0.00 0.00 175.52 177.43 1uvx n VAL 29 N -3.51 0.00 -0.11 3.16 0.24 -0.40 -4.88 118.33 112.84 1uvx n VAL 29 Ca -0.01 -0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.40 1uvx n VAL 29 Cb 0.37 0.26 0.46 0.00 -1.47 0.00 0.00 33.84 33.46 1uvx n VAL 29 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1uvx h SER 30 N 0.00 0.45 0.32 -1.34 4.64 0.23 -1.84 113.55 116.01 1uvx h SER 30 Ca 0.00 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1uvx h SER 30 Cb 0.00 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1uvx h SER 30 CO 0.00 0.28 -0.17 0.74 -0.87 0.00 0.00 176.83 176.81 1uvx h THR 31 N 0.51 0.80 0.00 2.95 2.02 -1.81 -1.61 112.91 115.77 1uvx h THR 31 Ca 0.29 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 1uvx h THR 31 Cb 0.46 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1uvx h THR 31 CO -0.09 0.16 -0.08 1.88 0.37 0.00 0.00 175.52 177.76 1uvx h TYR 32 N 0.00 0.00 -0.55 3.16 -1.99 -1.68 -2.82 116.97 113.08 1uvx h TYR 32 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1uvx h TYR 32 Cb 0.37 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.10 1uvx h TYR 32 CO 0.00 0.08 0.00 1.19 -0.00 0.00 0.00 178.16 179.43 1uvx n PHE 33 N -3.50 0.81 -0.18 4.88 3.01 -0.61 -4.61 117.46 117.27 1uvx n PHE 33 Ca -0.02 -0.52 0.06 0.00 1.01 0.00 0.00 57.45 57.98 1uvx n PHE 33 Cb 0.22 -0.04 0.34 0.00 -0.01 0.00 0.00 39.48 39.99 1uvx n PHE 33 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1uvx h SER 34 N 3.27 0.68 -0.62 4.37 4.64 -1.49 -1.16 113.55 123.23 1uvx h SER 34 Ca 0.00 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1uvx h SER 34 Cb 0.94 -0.15 -0.07 0.00 -0.31 0.00 0.00 62.40 62.81 1uvx h SER 34 CO 0.03 0.45 0.15 0.59 -0.87 0.00 0.00 176.83 177.17 1uvx n ASN 35 N -4.47 4.93 -4.62 4.97 3.02 -1.26 -4.97 115.26 112.86 1uvx n ASN 35 Ca 0.10 -3.14 -0.33 0.00 -0.03 0.00 0.00 54.58 51.18 1uvx n ASN 35 Cb 0.19 -0.70 -0.10 0.00 -0.61 0.00 0.00 39.78 38.56 1uvx n ASN 35 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1uvx s THR 36 N -2.93 3.86 -0.32 3.41 2.01 -0.44 -5.08 115.64 116.16 1uvx s THR 36 Ca 0.53 -0.54 -0.29 0.00 0.31 0.00 0.00 61.69 61.70 1uvx s THR 36 Cb 0.42 -2.63 0.01 0.00 0.01 0.00 0.00 72.50 70.30 1uvx s THR 36 CO 0.13 0.51 1.25 -0.62 -0.69 0.00 0.00 174.62 175.21 1uvx s ASP 37 N -1.10 6.71 0.02 3.53 -1.08 -1.26 -4.90 116.67 118.58 1uvx s ASP 37 Ca 0.15 1.13 0.29 0.00 -0.52 0.00 0.00 52.55 53.60 1uvx s ASP 37 Cb -0.11 -2.54 1.21 0.00 -1.46 0.00 0.00 42.92 40.02 1uvx s ASP 37 CO 0.05 -1.06 1.92 0.23 0.52 0.00 0.00 175.17 176.82 1uvx n MET 38 N 7.28 0.02 0.03 4.34 2.81 -1.26 -0.61 117.12 129.73 1uvx n MET 38 Ca 0.14 0.02 -0.22 0.00 -1.81 0.00 0.00 57.70 55.83 1uvx n MET 38 Cb 0.47 -1.52 -0.14 0.00 -0.71 0.00 0.00 33.22 31.31 1uvx n MET 38 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1uvx h LYS 39 N 0.00 0.30 -0.51 0.03 1.57 -1.99 -2.69 116.57 113.28 1uvx h LYS 39 Ca 0.00 -0.51 -0.02 0.00 -1.87 0.00 0.00 60.65 58.24 1uvx h LYS 39 Cb 0.52 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1uvx h LYS 39 CO 0.00 1.25 0.23 0.28 -0.57 0.00 0.00 179.45 180.63 1uvx h VAL 40 N -0.13 1.20 -0.94 0.50 2.07 -1.94 -1.33 116.25 115.69 1uvx h VAL 40 Ca -0.33 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 66.61 1uvx h VAL 40 Cb 1.90 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 32.27 1uvx h VAL 40 CO 0.10 0.23 0.62 -0.61 0.02 0.00 0.00 177.57 177.93 1uvx h GLN 41 N 0.68 1.21 -0.45 1.57 5.75 -0.99 0.33 115.11 123.21 1uvx h GLN 41 Ca 0.17 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.62 1uvx h GLN 41 Cb 0.15 -0.27 -0.03 0.00 1.07 0.00 0.00 27.48 28.40 1uvx h GLN 41 CO -0.02 0.80 0.27 0.00 -2.65 0.00 0.00 178.83 177.23 1uvx h ARG 42 N 1.24 0.54 0.23 1.69 3.08 -1.13 -0.63 114.38 119.40 1uvx h ARG 42 Ca 0.35 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.37 1uvx h ARG 42 Cb -0.10 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 1uvx h ARG 42 CO -0.09 0.36 -0.26 1.03 -1.07 0.00 0.00 179.97 179.94 1uvx h SER 43 N 0.56 -0.70 -0.42 7.04 0.87 -0.09 -2.14 113.55 118.67 1uvx h SER 43 Ca 0.17 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1uvx h SER 43 Cb -0.01 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1uvx h SER 43 CO -0.07 -0.37 0.26 0.11 -0.53 0.00 0.00 176.83 176.23 1uvx h LYS 44 N -0.53 0.56 -0.65 2.24 1.57 -0.81 -2.00 116.57 116.95 1uvx h LYS 44 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1uvx h LYS 44 Cb 0.50 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1uvx h LYS 44 CO -0.07 0.40 0.41 0.37 -0.57 0.00 0.00 179.45 179.99 1uvx h GLN 45 N 0.56 0.87 -0.23 3.15 5.75 -1.05 -1.15 115.11 123.02 1uvx h GLN 45 Ca 0.15 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1uvx h GLN 45 Cb -0.02 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.32 1uvx h GLN 45 CO -0.03 0.61 0.09 0.35 -2.65 0.00 0.00 178.83 177.19 1uvx h PHE 46 N 0.88 0.15 -0.64 3.99 3.57 -1.14 0.20 116.94 123.95 1uvx h PHE 46 Ca 0.24 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.77 1uvx h PHE 46 Cb -0.06 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 1uvx h PHE 46 CO -0.02 0.08 0.41 0.00 -2.23 0.00 0.00 178.31 176.54 1uvx h ALA 47 N 1.14 0.83 -0.09 2.41 0.00 -0.89 0.26 119.26 122.91 1uvx h ALA 47 Ca 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1uvx h ALA 47 Cb 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1uvx h ALA 47 CO -0.09 0.18 -0.14 0.35 0.00 0.00 0.00 179.25 179.54 1uvx h PHE 48 N 0.81 0.32 -0.90 0.00 3.57 -0.99 -2.57 116.94 117.18 1uvx h PHE 48 Ca 0.25 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1uvx h PHE 48 Cb -0.02 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1uvx h PHE 48 CO -0.04 0.73 0.56 -0.07 -2.23 0.00 0.00 178.31 177.26 1uvx h LEU 49 N -0.18 1.07 -0.55 0.59 3.38 -0.43 0.48 115.31 119.67 1uvx h LEU 49 Ca 0.01 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1uvx h LEU 49 Cb 0.70 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1uvx h LEU 49 CO 0.03 0.81 0.30 0.00 0.09 0.00 0.00 178.44 179.67 1uvx h ALA 50 N 1.31 0.71 -0.05 1.53 0.00 -0.48 0.94 119.26 123.21 1uvx h ALA 50 Ca 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1uvx h ALA 50 Cb -0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1uvx h ALA 50 CO -0.06 -0.03 -0.01 -0.92 0.00 0.00 0.00 179.25 178.23 1uvx h TYR 51 N 0.58 0.11 -0.48 0.00 3.20 -0.96 1.69 116.97 121.10 1uvx h TYR 51 Ca 0.24 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1uvx h TYR 51 Cb 0.11 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1uvx h TYR 51 CO -0.09 0.42 0.23 0.00 -1.64 0.00 0.00 178.16 177.09 1uvx h ALA 52 N 0.67 1.50 -0.14 1.82 0.00 0.35 -1.77 119.26 121.70 1uvx h ALA 52 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1uvx h ALA 52 Cb 0.38 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1uvx h ALA 52 CO 0.00 0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.93 1uvx n LEU 53 N -4.39 1.32 0.00 0.00 4.77 0.32 -4.90 117.00 114.12 1uvx n LEU 53 Ca 0.04 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1uvx n LEU 53 Cb 0.12 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1uvx n LEU 53 CO 0.37 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1uvx n GLY 54 N 1.04 0.47 0.01 -0.72 0.00 -0.66 -1.02 105.19 104.31 1uvx n GLY 54 Ca 0.15 -0.92 0.10 0.00 0.00 0.00 0.00 46.02 45.36 1uvx n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uvx n GLY 55 N -2.06 -0.98 3.09 -0.02 0.00 0.57 -4.77 105.19 101.02 1uvx n GLY 55 Ca 0.00 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 1uvx n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uvx s ALA 56 N -3.30 0.75 -0.58 4.61 0.00 -0.72 -4.87 121.76 117.65 1uvx s ALA 56 Ca -0.02 -0.84 0.24 0.00 0.00 0.00 0.00 51.96 51.34 1uvx s ALA 56 Cb 0.15 0.01 0.45 0.00 0.00 0.00 0.00 23.12 23.72 1uvx s ALA 56 CO 0.88 0.03 1.49 0.66 0.00 0.00 0.00 175.76 178.82 1uvx h SER 57 N 4.40 0.00 -4.67 0.00 4.64 -1.91 -3.39 113.55 112.62 1uvx h SER 57 Ca -0.37 -0.07 -0.20 0.00 -0.47 0.00 0.00 61.79 60.67 1uvx h SER 57 Cb 1.20 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.06 1uvx h SER 57 CO 0.41 0.04 -0.71 -1.61 -0.87 0.00 0.00 176.83 174.09 1uvx s GLU 58 N -3.18 0.29 -0.21 4.77 2.02 -1.26 -5.11 118.70 116.03 1uvx s GLU 58 Ca 0.07 -0.50 0.02 0.00 0.02 0.00 0.00 54.97 54.57 1uvx s GLU 58 Cb 0.11 0.01 0.03 0.00 0.10 0.00 0.00 34.13 34.38 1uvx s GLU 58 CO 0.68 -0.02 -0.17 -0.46 0.02 0.00 0.00 175.26 175.31 1uvx s TRP 59 N -1.12 2.95 -1.39 1.61 -0.11 -1.26 -4.75 118.94 114.87 1uvx s TRP 59 Ca -0.11 -1.89 0.18 0.00 1.22 0.00 0.00 56.10 55.50 1uvx s TRP 59 Cb -0.08 -1.92 -0.07 0.00 -1.50 0.00 0.00 33.47 29.90 1uvx s TRP 59 CO -0.01 -0.83 0.88 1.63 -4.62 0.00 0.00 176.95 174.00 1uvx n LYS 60 N 4.55 1.37 0.00 5.86 5.02 -1.26 -4.96 118.16 128.74 1uvx n LYS 60 Ca -0.18 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.54 1uvx n LYS 60 Cb 0.47 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 1uvx n LYS 60 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uvx n GLY 61 N 1.32 -1.94 3.78 0.72 0.00 -1.26 -5.00 105.19 102.81 1uvx n GLY 61 Ca 0.06 -1.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 1uvx n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uvx s LYS 62 N -1.49 4.40 0.54 1.61 1.02 -1.26 -5.02 119.74 119.55 1uvx s LYS 62 Ca 0.00 1.51 -0.21 0.00 0.02 0.00 0.00 55.97 57.29 1uvx s LYS 62 Cb 0.00 -2.77 -0.05 0.00 -0.52 0.00 0.00 37.83 34.49 1uvx s LYS 62 CO 0.00 0.07 1.29 0.16 -0.92 0.00 0.00 175.35 175.95 1uvx s ASP 63 N -1.44 5.40 0.25 2.83 -4.77 -1.26 -4.75 116.67 112.93 1uvx s ASP 63 Ca 0.52 2.59 -0.04 0.00 -3.30 0.00 0.00 52.55 52.32 1uvx s ASP 63 Cb -0.23 -2.62 0.47 0.00 -1.09 0.00 0.00 42.92 39.45 1uvx s ASP 63 CO 0.29 -1.47 1.71 0.24 0.70 0.00 0.00 175.17 176.64 1uvx h MET 64 N 1.42 0.34 -0.13 2.11 2.86 -1.95 -0.67 114.93 118.91 1uvx h MET 64 Ca -0.50 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.13 1uvx h MET 64 Cb 1.29 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.85 1uvx h MET 64 CO 0.57 0.23 0.01 -0.09 1.06 0.00 0.00 176.91 178.69 1uvx h ARG 65 N 0.36 0.06 -0.52 1.72 2.43 -1.89 -2.15 114.38 114.39 1uvx h ARG 65 Ca 0.42 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.56 1uvx h ARG 65 Cb 0.69 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 1uvx h ARG 65 CO -0.46 0.04 0.23 1.15 -1.51 0.00 0.00 179.97 179.41 1uvx h THR 66 N 0.06 1.18 -0.61 0.20 2.02 -1.55 -1.04 112.91 113.16 1uvx h THR 66 Ca 0.06 -0.54 -0.10 0.00 0.77 0.00 0.00 66.41 66.60 1uvx h THR 66 Cb 0.06 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1uvx h THR 66 CO -0.09 0.22 0.01 0.00 0.37 0.00 0.00 175.52 176.02 1uvx h ALA 67 N 1.52 0.82 0.00 6.16 0.00 -0.54 -3.35 119.26 123.87 1uvx h ALA 67 Ca 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1uvx h ALA 67 Cb 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1uvx h ALA 67 CO -0.02 0.66 -1.36 0.72 0.00 0.00 0.00 179.25 179.25 1uvx n HIS 68 N -4.19 0.00 0.14 0.00 8.25 -0.97 -4.72 115.22 113.74 1uvx n HIS 68 Ca 0.03 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.64 1uvx n HIS 68 Cb 0.34 -0.20 0.70 0.00 1.12 0.00 0.00 29.99 31.95 1uvx n HIS 68 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1uvx h LYS 69 N 0.00 0.00 -0.42 -0.41 2.10 -1.33 -0.87 116.57 115.64 1uvx h LYS 69 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1uvx h LYS 69 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1uvx h LYS 69 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1uvx n ASP 70 N -4.34 3.41 -4.77 7.07 8.00 -1.26 -4.93 116.55 119.73 1uvx n ASP 70 Ca 0.03 -1.98 -0.39 0.00 0.71 0.00 0.00 54.79 53.16 1uvx n ASP 70 Cb 0.34 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.15 1uvx n ASP 70 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1uvx s LEU 71 N -1.43 4.24 0.04 0.64 1.43 -0.33 -5.02 118.68 118.24 1uvx s LEU 71 Ca 0.40 2.40 0.07 0.00 -1.03 0.00 0.00 54.13 55.96 1uvx s LEU 71 Cb 0.23 -3.95 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1uvx s LEU 71 CO 0.32 -0.64 -0.20 0.68 0.23 0.00 0.00 176.35 176.74 1uvx s VAL 72 N -1.36 1.57 0.70 -1.59 -7.23 -1.26 -3.25 120.40 107.98 1uvx s VAL 72 Ca 0.55 -1.12 -0.14 0.00 -1.81 0.00 0.00 61.98 59.46 1uvx s VAL 72 Cb -0.32 -1.36 0.02 0.00 0.56 0.00 0.00 36.38 35.28 1uvx s VAL 72 CO 0.41 0.20 1.14 -2.84 -0.31 0.00 0.00 175.10 173.70 1uvx s PRO 73 N -1.08 2.48 0.08 4.82 0.02 -1.26 -4.91 135.00 135.15 1uvx s PRO 73 Ca 0.07 1.48 -0.36 0.00 0.02 0.00 0.00 61.00 62.21 1uvx s PRO 73 Cb -0.08 -1.90 -0.18 0.00 0.02 0.00 0.00 34.50 32.35 1uvx s PRO 73 CO 0.01 -1.52 1.03 0.72 -0.33 0.00 0.00 177.00 176.92 1uvx n HIS 74 N -2.68 0.70 -2.06 6.54 8.25 -1.20 -4.85 115.22 119.92 1uvx n HIS 74 Ca 0.11 0.90 -0.41 0.00 -0.26 0.00 0.00 57.72 58.06 1uvx n HIS 74 Cb 0.52 -2.14 -0.03 0.00 1.12 0.00 0.00 29.99 29.46 1uvx n HIS 74 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1uvx s LEU 75 N 0.73 4.39 0.00 2.41 1.43 -1.26 -5.02 118.68 121.36 1uvx s LEU 75 Ca 0.82 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 56.50 1uvx s LEU 75 Cb -1.08 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 41.53 1uvx s LEU 75 CO 0.54 -0.67 0.00 -1.54 0.23 0.00 0.00 176.35 174.91 1uvx n SER 76 N 2.68 1.65 0.05 2.29 3.41 -1.26 -4.91 113.62 117.53 1uvx n SER 76 Ca 0.08 -0.93 0.11 0.00 -0.26 0.00 0.00 58.87 57.87 1uvx n SER 76 Cb 0.41 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.81 1uvx n SER 76 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1uvx n ASP 77 N -1.25 0.31 -0.08 4.04 8.00 -1.26 -2.25 116.55 124.06 1uvx n ASP 77 Ca 0.00 0.55 -0.15 0.00 0.71 0.00 0.00 54.79 55.91 1uvx n ASP 77 Cb 0.00 -0.63 -0.05 0.00 -0.02 0.00 0.00 41.12 40.43 1uvx n ASP 77 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1uvx h VAL 78 N 0.00 1.29 0.00 2.53 2.07 -1.98 -1.59 116.25 118.57 1uvx h VAL 78 Ca 0.00 -1.65 -0.27 0.00 0.82 0.00 0.00 66.70 65.60 1uvx h VAL 78 Cb 0.44 1.67 0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1uvx h VAL 78 CO 0.00 0.53 -1.04 0.45 0.02 0.00 0.00 177.57 177.53 1uvx h HIS 79 N 0.55 1.05 -0.61 1.57 3.86 -1.85 -2.59 115.15 117.12 1uvx h HIS 79 Ca 0.02 -0.57 -0.07 0.00 -1.16 0.00 0.00 60.37 58.58 1uvx h HIS 79 Cb 1.06 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 29.39 1uvx h HIS 79 CO 0.08 1.41 0.09 0.35 0.86 0.00 0.00 177.93 180.72 1uvx h PHE 80 N 0.39 1.05 -0.14 2.45 3.57 -1.50 -1.35 116.94 121.40 1uvx h PHE 80 Ca -0.13 -0.14 -0.14 0.00 3.53 0.00 0.00 57.97 61.09 1uvx h PHE 80 Cb 1.70 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 40.14 1uvx h PHE 80 CO 0.10 0.89 -0.53 1.96 -2.23 0.00 0.00 178.31 178.51 1uvx h GLN 81 N 0.93 0.39 -0.03 1.11 1.08 -1.35 -1.19 115.11 116.05 1uvx h GLN 81 Ca 0.19 -0.24 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1uvx h GLN 81 Cb 0.42 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1uvx h GLN 81 CO 0.01 0.82 0.01 0.00 -0.95 0.00 0.00 178.83 178.72 1uvx h ALA 82 N 1.13 0.04 -0.67 3.87 0.00 -1.17 -0.18 119.26 122.28 1uvx h ALA 82 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1uvx h ALA 82 Cb 1.03 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1uvx h ALA 82 CO 0.09 -0.37 0.43 0.28 0.00 0.00 0.00 179.25 179.68 1uvx h VAL 83 N -0.13 1.18 -0.09 0.00 2.07 -1.16 -0.47 116.25 117.67 1uvx h VAL 83 Ca 0.01 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1uvx h VAL 83 Cb 0.18 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1uvx h VAL 83 CO -0.00 0.18 0.05 0.00 0.02 0.00 0.00 177.57 177.82 1uvx h ALA 84 N 1.23 0.11 -0.62 1.67 0.00 -1.13 -2.11 119.26 118.42 1uvx h ALA 84 Ca 0.24 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1uvx h ALA 84 Cb -0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1uvx h ALA 84 CO -0.05 -0.38 0.38 -0.09 0.00 0.00 0.00 179.25 179.11 1uvx h ARG 85 N 0.09 0.83 -0.27 0.00 2.43 -0.65 -0.96 114.38 115.85 1uvx h ARG 85 Ca 0.03 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 1uvx h ARG 85 Cb 0.02 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1uvx h ARG 85 CO -0.01 0.57 -0.36 0.45 -1.51 0.00 0.00 179.97 179.12 1uvx h HIS 86 N 0.85 0.72 -0.03 2.20 3.86 -0.81 -0.33 115.15 121.60 1uvx h HIS 86 Ca 0.22 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1uvx h HIS 86 Cb -0.05 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 1uvx h HIS 86 CO 0.00 0.88 -0.04 1.25 0.86 0.00 0.00 177.93 180.89 1uvx h LEU 87 N 0.51 0.08 -0.19 2.43 5.85 -0.88 -0.51 115.31 122.60 1uvx h LEU 87 Ca 0.05 -0.53 0.05 0.00 0.84 0.00 0.00 57.88 58.29 1uvx h LEU 87 Cb 0.86 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.79 1uvx h LEU 87 CO 0.07 0.60 -0.35 -1.28 -0.34 0.00 0.00 178.44 177.14 1uvx h SER 88 N -0.44 -1.11 -0.80 1.25 0.87 -1.14 0.78 113.55 112.98 1uvx h SER 88 Ca 0.00 0.16 0.11 0.00 -1.23 0.00 0.00 61.79 60.83 1uvx h SER 88 Cb 0.58 0.47 -0.08 0.00 -0.44 0.00 0.00 62.40 62.94 1uvx h SER 88 CO 0.01 -0.37 0.43 0.44 -0.53 0.00 0.00 176.83 176.81 1uvx h ASP 89 N -0.39 0.58 0.31 6.23 3.32 -1.08 -0.12 116.42 125.27 1uvx h ASP 89 Ca 0.11 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1uvx h ASP 89 Cb 0.57 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 1uvx h ASP 89 CO -0.41 0.31 -0.38 0.74 -1.72 0.00 0.00 179.24 177.79 1uvx h THR 90 N 0.70 0.22 -0.81 0.35 2.02 0.32 -1.77 112.91 113.94 1uvx h THR 90 Ca 0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.58 1uvx h THR 90 Cb 0.43 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 1uvx h THR 90 CO -0.28 0.00 0.51 -0.07 0.37 0.00 0.00 175.52 176.05 1uvx h LEU 91 N -0.74 0.96 -1.14 2.58 3.38 -0.46 -1.80 115.31 118.09 1uvx h LEU 91 Ca -0.01 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1uvx h LEU 91 Cb 0.69 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1uvx h LEU 91 CO -0.11 0.73 0.59 0.74 0.09 0.00 0.00 178.44 180.48 1uvx h THR 92 N 1.11 1.07 0.00 0.22 2.02 -0.84 -0.78 112.91 115.71 1uvx h THR 92 Ca 0.29 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1uvx h THR 92 Cb -0.08 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.28 1uvx h THR 92 CO -0.06 0.19 0.00 -0.33 0.37 0.00 0.00 175.52 175.69 1uvx h GLU 93 N 1.03 0.00 -0.17 6.66 5.08 -0.59 -3.03 114.58 123.56 1uvx h GLU 93 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1uvx h GLU 93 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1uvx h GLU 93 CO -0.15 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.14 1uvx n LEU 94 N -2.37 2.48 0.00 1.33 4.77 -0.34 -4.95 117.00 117.92 1uvx n LEU 94 Ca 0.05 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 1uvx n LEU 94 Cb 0.43 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1uvx n LEU 94 CO 0.30 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 1uvx n GLY 95 N 1.30 0.68 3.71 -0.72 0.00 -0.93 -5.03 105.19 104.21 1uvx n GLY 95 Ca 0.17 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1uvx n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uvx s VAL 96 N -2.00 4.62 0.20 1.61 1.01 -0.99 -4.99 120.40 119.87 1uvx s VAL 96 Ca 0.00 1.93 -0.31 0.00 0.00 0.00 0.00 61.98 63.61 1uvx s VAL 96 Cb 0.00 -4.24 -0.16 0.00 0.00 0.00 0.00 36.38 31.99 1uvx s VAL 96 CO 0.00 0.18 1.00 -2.65 0.00 0.00 0.00 175.10 173.63 1uvx n PRO 97 N 3.67 0.96 -0.19 2.72 -0.02 -1.26 -4.75 135.00 136.13 1uvx n PRO 97 Ca 0.06 0.34 0.08 0.00 -2.02 0.00 0.00 63.50 61.95 1uvx n PRO 97 Cb 0.50 -1.71 0.37 0.00 -0.02 0.00 0.00 33.50 32.63 1uvx n PRO 97 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1uvx h PRO 98 N 2.51 0.70 -0.19 0.52 0.11 -1.99 0.14 132.00 133.80 1uvx h PRO 98 Ca -0.40 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 1uvx h PRO 98 Cb 1.36 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1uvx h PRO 98 CO 0.65 0.46 -0.20 1.05 -0.21 0.00 0.00 178.00 179.75 1uvx h GLU 99 N 0.72 0.32 -0.13 1.05 9.09 -2.00 -0.87 114.58 122.76 1uvx h GLU 99 Ca 0.33 -0.10 -0.17 0.00 0.05 0.00 0.00 59.36 59.48 1uvx h GLU 99 Cb 0.35 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.42 1uvx h GLU 99 CO -0.12 0.51 -0.62 -0.44 0.05 0.00 0.00 179.01 178.40 1uvx h ASP 100 N 0.30 0.53 0.06 3.06 3.32 -1.35 -2.74 116.42 119.60 1uvx h ASP 100 Ca 0.05 -0.31 -0.06 0.00 0.02 0.00 0.00 57.03 56.73 1uvx h ASP 100 Cb 0.52 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1uvx h ASP 100 CO 0.03 1.02 -0.19 0.40 -1.72 0.00 0.00 179.24 178.78 1uvx h ILE 101 N 0.35 1.21 -0.45 0.35 2.04 -0.65 -1.79 117.51 118.57 1uvx h ILE 101 Ca -0.01 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 64.85 1uvx h ILE 101 Cb 1.17 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 1uvx h ILE 101 CO 0.11 0.30 0.17 0.74 0.00 0.00 0.00 178.15 179.47 1uvx h THR 102 N 0.24 1.21 -0.27 -0.27 2.02 -0.92 -0.84 112.91 114.07 1uvx h THR 102 Ca 0.04 -0.66 -0.17 0.00 0.77 0.00 0.00 66.41 66.39 1uvx h THR 102 Cb 0.49 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1uvx h THR 102 CO 0.03 0.24 -0.52 0.44 0.37 0.00 0.00 175.52 176.08 1uvx h ASP 103 N 0.58 0.86 -0.35 4.18 3.32 -1.20 -2.13 116.42 121.68 1uvx h ASP 103 Ca 0.15 -0.45 -0.13 0.00 0.02 0.00 0.00 57.03 56.62 1uvx h ASP 103 Cb 0.21 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1uvx h ASP 103 CO -0.01 1.22 -0.26 0.00 -1.72 0.00 0.00 179.24 178.47 1uvx h ALA 104 N 0.80 0.76 -0.56 3.45 0.00 -1.27 -2.13 119.26 120.31 1uvx h ALA 104 Ca 0.02 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 1uvx h ALA 104 Cb 1.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1uvx h ALA 104 CO 0.11 0.66 0.07 0.52 0.00 0.00 0.00 179.25 180.61 1uvx h MET 105 N 0.74 0.90 -0.56 0.00 2.86 -1.11 -1.82 114.93 115.95 1uvx h MET 105 Ca 0.09 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 1uvx h MET 105 Cb 0.81 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 1uvx h MET 105 CO 0.07 0.85 0.10 0.00 1.06 0.00 0.00 176.91 178.99 1uvx h ALA 106 N 1.22 1.13 -0.40 6.32 0.00 -1.11 0.13 119.26 126.55 1uvx h ALA 106 Ca 0.17 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1uvx h ALA 106 Cb 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1uvx h ALA 106 CO 0.01 0.58 -0.15 0.28 0.00 0.00 0.00 179.25 179.97 1uvx h VAL 107 N 0.84 1.28 -0.60 0.00 2.07 -1.07 -1.64 116.25 117.12 1uvx h VAL 107 Ca 0.18 -1.27 -0.09 0.00 0.82 0.00 0.00 66.70 66.34 1uvx h VAL 107 Cb 0.36 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1uvx h VAL 107 CO 0.01 0.43 0.03 0.58 0.02 0.00 0.00 177.57 178.64 1uvx h VAL 108 N 0.63 1.26 0.00 2.57 2.07 -1.01 -2.92 116.25 118.85 1uvx h VAL 108 Ca 0.10 -1.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.45 1uvx h VAL 108 Cb 0.69 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1uvx h VAL 108 CO 0.05 0.40 -0.32 0.00 0.02 0.00 0.00 177.57 177.72 1uvx h ALA 109 N 1.00 1.46 0.00 1.67 0.00 -0.62 -2.55 119.26 120.21 1uvx h ALA 109 Ca 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1uvx h ALA 109 Cb 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1uvx h ALA 109 CO 0.02 0.40 0.00 -1.13 0.00 0.00 0.00 179.25 178.55 1uvx n SER 110 N -4.14 0.00 -0.90 0.00 3.41 -0.63 -1.62 113.62 109.74 1uvx n SER 110 Ca -0.02 0.02 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1uvx n SER 110 Cb 0.37 -0.24 0.18 0.00 -0.26 0.00 0.00 64.21 64.25 1uvx n SER 110 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1uvx n THR 111 N -1.24 0.64 0.25 6.66 -2.24 -0.96 -4.70 114.28 112.68 1uvx n THR 111 Ca 0.07 -0.82 -0.16 0.00 -2.27 0.00 0.00 64.05 60.87 1uvx n THR 111 Cb 0.10 0.81 -0.08 0.00 -2.10 0.00 0.00 70.33 69.06 1uvx n THR 111 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1uvx h ARG 112 N 3.28 -0.81 -0.43 -0.78 2.43 -1.45 -1.79 114.38 114.84 1uvx h ARG 112 Ca 0.00 0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1uvx h ARG 112 Cb 0.82 0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.50 1uvx h ARG 112 CO 0.00 -0.54 0.12 1.15 -1.51 0.00 0.00 179.97 179.19 1uvx h THR 113 N -0.84 0.82 0.11 0.20 2.02 -1.84 0.04 112.91 113.42 1uvx h THR 113 Ca -0.04 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1uvx h THR 113 Cb 0.75 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1uvx h THR 113 CO -0.07 0.05 -0.05 -0.33 0.37 0.00 0.00 175.52 175.49 1uvx h GLU 114 N 0.26 -0.14 -0.92 6.66 4.39 -1.86 -0.52 114.58 122.46 1uvx h GLU 114 Ca 0.21 0.01 0.18 0.00 0.34 0.00 0.00 59.36 60.09 1uvx h GLU 114 Cb 0.23 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 28.84 1uvx h GLU 114 CO -0.24 0.31 0.59 0.28 -1.16 0.00 0.00 179.01 178.79 1uvx h VAL 115 N -0.67 0.74 -0.19 3.13 2.07 -1.07 0.18 116.25 120.43 1uvx h VAL 115 Ca -0.01 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1uvx h VAL 115 Cb 0.52 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1uvx h VAL 115 CO 0.02 0.11 0.00 0.18 0.02 0.00 0.00 177.57 177.90 1uvx n LEU 116 N -4.58 2.02 -3.77 2.57 4.77 -0.02 -4.56 117.00 113.43 1uvx n LEU 116 Ca 0.19 -0.83 -0.23 0.00 -0.03 0.00 0.00 56.01 55.11 1uvx n LEU 116 Cb 0.59 -0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1uvx n LEU 116 CO 0.28 0.42 -0.10 -3.20 -1.33 0.00 0.00 177.39 173.46 1uvx n ASN 117 N 0.56 -1.09 -4.89 -1.43 5.15 0.62 -4.86 115.26 109.31 1uvx n ASN 117 Ca 0.17 -0.86 -0.22 0.00 -0.60 0.00 0.00 54.58 53.06 1uvx n ASN 117 Cb 0.39 -3.82 -0.03 0.00 -0.53 0.00 0.00 39.78 35.79 1uvx n ASN 117 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1uvx s MET 118 N -6.13 3.18 0.19 1.20 -1.94 -0.24 -5.05 119.30 110.51 1uvx s MET 118 Ca 0.03 -0.88 -0.31 0.00 -1.71 0.00 0.00 55.69 52.81 1uvx s MET 118 Cb -0.01 -2.74 -0.11 0.00 2.01 0.00 0.00 34.83 33.98 1uvx s MET 118 CO 0.83 0.43 1.60 -2.14 -0.01 0.00 0.00 175.02 175.72 1uvx s PRO 119 N -3.81 4.19 0.00 2.03 0.02 -1.26 -4.78 135.00 131.39 1uvx s PRO 119 Ca 0.33 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.79 1uvx s PRO 119 Cb -0.09 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.31 1uvx s PRO 119 CO 0.27 -0.63 0.57 1.04 -0.33 0.00 0.00 177.00 177.92 1uvx n GLN 120 N 3.66 0.76 -0.72 5.54 6.02 -1.26 -5.08 117.38 126.30 1uvx n GLN 120 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1uvx n GLN 120 Cb 0.38 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.45 1uvx n GLN 120 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99