#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uva s THR 2 N 0.00 3.09 0.01 9.51 -4.23 -1.26 -4.80 115.64 117.96 1uva s THR 2 Ca 0.00 -0.46 0.16 0.00 -1.18 0.00 0.00 61.69 60.21 1uva s THR 2 Cb 0.00 -3.19 0.07 0.00 1.34 0.00 0.00 72.50 70.73 1uva s THR 2 CO 0.00 -0.15 1.56 0.00 -0.54 0.00 0.00 174.62 175.49 1uva h GLY 4 N 2.81 0.51 1.47 0.00 0.00 -1.98 -0.95 103.07 104.92 1uva h GLY 4 Ca -0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1uva h GLY 4 CO 0.06 0.42 0.13 1.46 0.00 0.00 0.00 176.54 178.61 1uva h GLN 5 N 0.40 0.68 0.11 4.80 4.20 -1.96 0.54 115.11 123.87 1uva h GLN 5 Ca 0.04 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1uva h GLN 5 Cb 0.80 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1uva h GLN 5 CO 0.06 0.60 -0.05 0.28 -0.67 0.00 0.00 178.83 179.05 1uva h VAL 6 N 0.66 1.03 -0.99 -0.54 2.07 -1.53 -0.32 116.25 116.64 1uva h VAL 6 Ca 0.15 -1.28 0.06 0.00 0.82 0.00 0.00 66.70 66.46 1uva h VAL 6 Cb 0.22 1.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 1uva h VAL 6 CO -0.01 0.28 0.64 0.78 0.02 0.00 0.00 177.57 179.28 1uva h ASN 7 N -0.82 1.03 0.33 0.57 4.21 -1.03 0.83 115.58 120.70 1uva h ASN 7 Ca -0.02 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 1uva h ASN 7 Cb 0.56 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 1uva h ASN 7 CO 0.02 0.66 -0.16 -1.28 -1.29 0.00 0.00 177.43 175.39 1uva h SER 8 N 1.17 -0.37 -0.60 5.81 0.87 0.07 0.60 113.55 121.09 1uva h SER 8 Ca 0.42 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.87 1uva h SER 8 Cb 0.14 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1uva h SER 8 CO -0.17 -0.15 0.25 0.00 -0.53 0.00 0.00 176.83 176.24 1uva h ALA 9 N 0.03 1.24 0.00 6.23 0.00 -0.25 -3.15 119.26 123.35 1uva h ALA 9 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1uva h ALA 9 Cb 0.43 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1uva h ALA 9 CO 0.07 0.56 -1.30 1.55 0.00 0.00 0.00 179.25 180.13 1uva n VAL 10 N -4.31 0.15 -0.21 0.00 3.14 0.28 -4.00 118.33 113.38 1uva n VAL 10 Ca 0.05 -0.32 0.24 0.00 -2.96 0.00 0.00 64.34 61.36 1uva n VAL 10 Cb 0.17 0.20 0.62 0.00 -1.06 0.00 0.00 33.84 33.77 1uva n VAL 10 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1uva h GLY 11 N 4.39 0.45 1.20 7.55 0.00 0.26 0.61 103.07 117.53 1uva h GLY 11 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1uva h GLY 11 CO 0.00 -0.01 0.00 -1.55 0.00 0.00 0.00 176.54 174.98 1uva n PRO 12 N -4.40 0.65 0.01 4.80 -0.04 -1.26 -2.85 135.00 131.90 1uva n PRO 12 Ca 0.19 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.79 1uva n PRO 12 Cb 0.84 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.97 1uva n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uva h LEU 14 N 0.00 0.28 0.55 0.00 7.12 -1.63 0.55 115.31 122.18 1uva h LEU 14 Ca 0.00 0.21 -0.03 0.00 0.13 0.00 0.00 57.88 58.19 1uva h LEU 14 Cb 0.54 0.22 0.01 0.00 -0.53 0.00 0.00 40.66 40.89 1uva h LEU 14 CO 0.00 -0.20 -0.27 0.74 -0.13 0.00 0.00 178.44 178.58 1uva h THR 15 N 0.22 0.00 -0.25 1.05 2.02 -1.85 -1.35 112.91 112.76 1uva h THR 15 Ca 0.69 -0.40 0.05 0.00 0.77 0.00 0.00 66.41 67.52 1uva h THR 15 Cb 1.58 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1uva h THR 15 CO -0.67 0.00 0.17 0.22 0.37 0.00 0.00 175.52 175.62 1uva h TYR 16 N -1.14 0.14 0.00 3.16 -0.00 -1.66 -1.14 116.97 116.33 1uva h TYR 16 Ca -0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.61 1uva h TYR 16 Cb 0.57 -0.05 -0.01 0.00 -0.00 0.00 0.00 36.73 37.25 1uva h TYR 16 CO 0.01 0.08 -0.21 0.00 -0.00 0.00 0.00 178.16 178.04 1uva h ALA 17 N 1.87 0.92 -0.55 1.82 0.00 0.09 -2.28 119.26 121.13 1uva h ALA 17 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1uva h ALA 17 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1uva h ALA 17 CO -0.02 0.26 0.00 0.54 0.00 0.00 0.00 179.25 180.03 1uva n ARG 18 N -3.23 2.54 0.00 0.00 1.74 -0.49 -0.01 116.66 117.22 1uva n ARG 18 Ca 0.02 -2.37 0.00 0.00 -0.77 0.00 0.00 57.85 54.73 1uva n ARG 18 Cb 0.52 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1uva n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uva n GLY 19 N 1.55 0.75 0.00 -0.13 0.00 -0.87 -4.73 105.19 101.76 1uva n GLY 19 Ca 0.21 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1uva n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uva n GLY 20 N 0.00 3.08 0.14 -0.02 0.00 -0.88 -4.78 105.19 102.74 1uva n GLY 20 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1uva n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uva n ALA 21 N -3.00 1.28 0.00 4.61 0.00 -1.26 -4.96 120.51 117.18 1uva n ALA 21 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1uva n ALA 21 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1uva n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uva n GLY 22 N 0.00 1.86 3.74 0.00 0.00 -1.26 -5.14 105.19 104.40 1uva n GLY 22 Ca 0.00 0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 1uva n GLY 22 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uva n PRO 23 N 0.00 2.42 -1.37 1.61 -0.04 -1.26 -4.88 135.00 131.48 1uva n PRO 23 Ca 0.00 0.85 -0.29 0.00 -0.04 0.00 0.00 63.50 64.01 1uva n PRO 23 Cb 0.00 -2.51 0.20 0.00 -0.04 0.00 0.00 33.50 31.14 1uva n PRO 23 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1uva s SER 24 N -0.20 2.18 0.28 3.54 1.04 -1.26 -4.82 113.70 114.46 1uva s SER 24 Ca 0.54 0.70 0.07 0.00 0.48 0.00 0.00 55.95 57.75 1uva s SER 24 Cb -0.52 -1.04 0.41 0.00 0.10 0.00 0.00 66.02 64.97 1uva s SER 24 CO 0.63 -3.35 1.66 0.00 0.98 0.00 0.00 173.24 173.15 1uva h ALA 25 N -2.05 1.04 -0.04 5.32 0.00 -1.97 -1.49 119.26 120.07 1uva h ALA 25 Ca -0.47 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 53.90 1uva h ALA 25 Cb 1.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1uva h ALA 25 CO 0.45 0.65 -0.21 0.00 0.00 0.00 0.00 179.25 180.14 1uva h ALA 26 N 1.36 0.08 0.58 0.00 0.00 -1.93 -1.43 119.26 117.91 1uva h ALA 26 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1uva h ALA 26 Cb 0.94 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1uva h ALA 26 CO 0.07 0.06 -0.49 0.00 0.00 0.00 0.00 179.25 178.89 1uva h SER 29 N 0.37 0.00 0.75 0.00 0.87 -0.77 -2.48 113.55 112.27 1uva h SER 29 Ca 0.48 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.83 1uva h SER 29 Cb 1.25 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.19 1uva h SER 29 CO -0.17 0.09 -0.94 1.23 -0.53 0.00 0.00 176.83 176.51 1uva h GLY 30 N 3.63 0.13 0.73 5.77 0.00 0.14 -0.95 103.07 112.52 1uva h GLY 30 Ca -0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 1uva h GLY 30 CO 0.01 0.23 -0.15 -2.08 0.00 0.00 0.00 176.54 174.55 1uva h VAL 31 N 0.05 1.35 -0.47 4.60 2.07 -1.25 -0.04 116.25 122.57 1uva h VAL 31 Ca -0.04 -1.32 0.03 0.00 0.82 0.00 0.00 66.70 66.19 1uva h VAL 31 Cb 1.61 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 33.26 1uva h VAL 31 CO 0.14 0.39 0.26 0.03 0.02 0.00 0.00 177.57 178.40 1uva h ARG 32 N -0.05 0.50 0.81 1.57 3.08 -1.42 0.17 114.38 119.04 1uva h ARG 32 Ca 0.02 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1uva h ARG 32 Cb 0.68 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 1uva h ARG 32 CO 0.04 0.33 -0.50 1.03 -1.07 0.00 0.00 179.97 179.80 1uva h SER 33 N 0.51 -1.26 -0.95 7.04 0.87 -1.08 -1.77 113.55 116.91 1uva h SER 33 Ca 0.20 0.07 0.07 0.00 -1.23 0.00 0.00 61.79 60.90 1uva h SER 33 Cb 0.06 0.37 -0.07 0.00 -0.44 0.00 0.00 62.40 62.32 1uva h SER 33 CO -0.11 -0.77 0.61 0.25 -0.53 0.00 0.00 176.83 176.28 1uva h LEU 34 N -1.22 0.96 -1.85 2.23 6.46 -0.90 0.79 115.31 121.78 1uva h LEU 34 Ca -0.11 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.65 1uva h LEU 34 Cb 0.98 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 40.72 1uva h LEU 34 CO 0.11 0.60 -0.08 0.50 -0.62 0.00 0.00 178.44 178.94 1uva h LYS 35 N 1.09 0.00 0.00 1.25 3.64 -0.80 -0.50 116.57 121.24 1uva h LYS 35 Ca 0.42 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.78 1uva h LYS 35 Cb 0.20 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1uva h LYS 35 CO -0.18 0.08 -0.11 0.00 -2.27 0.00 0.00 179.45 176.97 1uva h ALA 36 N 1.92 0.94 0.19 5.00 0.00 0.04 -3.26 119.26 124.09 1uva h ALA 36 Ca -0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 54.91 54.49 1uva h ALA 36 Cb 0.15 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.94 1uva h ALA 36 CO 0.01 0.13 -1.56 0.00 0.00 0.00 0.00 179.25 177.84 1uva h ALA 37 N 1.89 0.07 -0.56 0.00 0.00 -0.30 -3.41 119.26 116.95 1uva h ALA 37 Ca -0.00 -1.03 -0.49 0.00 0.00 0.00 0.00 54.91 53.39 1uva h ALA 37 Cb 0.99 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 1uva h ALA 37 CO 0.01 0.86 1.63 0.00 0.00 0.00 0.00 179.25 181.76 1uva n ALA 38 N -2.84 2.67 -0.01 0.00 0.00 -0.39 -4.62 120.51 115.32 1uva n ALA 38 Ca -0.22 -3.37 -0.05 0.00 0.00 0.00 0.00 53.44 49.80 1uva n ALA 38 Cb 1.03 -3.54 -0.12 0.00 0.00 0.00 0.00 19.45 16.82 1uva n ALA 38 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1uva n SER 39 N 11.53 0.78 -4.88 0.00 3.41 -1.26 -4.83 113.62 118.37 1uva n SER 39 Ca 0.47 0.36 -0.29 0.00 -0.26 0.00 0.00 58.87 59.15 1uva n SER 39 Cb 0.46 0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 1uva n SER 39 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1uva s THR 40 N -2.72 1.39 -0.06 6.66 -4.23 -1.26 -5.04 115.64 110.38 1uva s THR 40 Ca -0.05 -1.64 -0.23 0.00 -1.18 0.00 0.00 61.69 58.60 1uva s THR 40 Cb 0.08 -2.03 -0.18 0.00 1.34 0.00 0.00 72.50 71.71 1uva s THR 40 CO 0.82 0.00 0.92 0.74 -0.54 0.00 0.00 174.62 176.56 1uva h THR 41 N 0.86 1.10 -0.84 3.99 2.02 -1.92 -2.54 112.91 115.58 1uva h THR 41 Ca -0.38 -1.32 0.21 0.00 0.77 0.00 0.00 66.41 65.68 1uva h THR 41 Cb 1.31 1.87 -0.13 0.00 -1.74 0.00 0.00 68.15 69.46 1uva h THR 41 CO 0.61 0.29 0.26 0.00 0.37 0.00 0.00 175.52 177.05 1uva h ALA 42 N -0.09 1.21 -0.05 6.16 0.00 -1.93 0.24 119.26 124.80 1uva h ALA 42 Ca -0.01 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1uva h ALA 42 Cb 0.58 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1uva h ALA 42 CO 0.02 -0.39 -0.08 -0.44 0.00 0.00 0.00 179.25 178.36 1uva h ASP 43 N 0.28 -0.24 0.75 0.00 3.45 -1.95 -2.15 116.42 116.57 1uva h ASP 43 Ca 0.51 0.04 0.00 0.00 0.43 0.00 0.00 57.03 58.01 1uva h ASP 43 Cb 0.96 0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.84 1uva h ASP 43 CO -0.57 -0.11 0.00 0.54 -1.57 0.00 0.00 179.24 177.52 1uva n ARG 44 N -5.21 0.10 0.10 3.56 1.74 0.31 -1.11 116.66 116.16 1uva n ARG 44 Ca -0.05 0.28 -0.19 0.00 -0.77 0.00 0.00 57.85 57.12 1uva n ARG 44 Cb 0.13 -1.67 -0.15 0.00 -1.02 0.00 0.00 32.46 29.76 1uva n ARG 44 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1uva h ARG 45 N 0.00 0.34 0.04 5.56 2.47 -0.03 -2.58 114.38 120.18 1uva h ARG 45 Ca 0.00 -0.58 -0.00 0.00 -1.26 0.00 0.00 59.98 58.14 1uva h ARG 45 Cb 0.38 0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 1uva h ARG 45 CO 0.00 1.26 -0.02 1.15 0.56 0.00 0.00 179.97 182.92 1uva h THR 46 N 0.09 1.32 -0.76 2.04 2.02 -1.11 -2.51 112.91 113.99 1uva h THR 46 Ca -0.20 -1.65 0.14 0.00 0.77 0.00 0.00 66.41 65.47 1uva h THR 46 Cb 2.04 2.34 -0.05 0.00 -1.74 0.00 0.00 68.15 70.74 1uva h THR 46 CO 0.21 0.39 0.51 0.00 0.37 0.00 0.00 175.52 177.00 1uva h ALA 47 N -0.04 2.04 -0.01 6.16 0.00 -1.25 0.27 119.26 126.44 1uva h ALA 47 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1uva h ALA 47 Cb 0.68 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1uva h ALA 47 CO 0.01 -0.25 -0.55 0.00 0.00 0.00 0.00 179.25 178.47 1uva h ASN 49 N 0.02 0.47 0.25 0.00 2.35 -0.16 -3.12 115.58 115.39 1uva h ASN 49 Ca -0.00 -0.65 -0.07 0.00 -0.55 0.00 0.00 56.30 55.03 1uva h ASN 49 Cb 0.97 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 1uva h ASN 49 CO 0.07 1.54 -0.28 0.00 -1.65 0.00 0.00 177.43 177.11 1uva h LEU 51 N 0.06 0.33 -0.25 0.00 3.38 -1.50 -1.78 115.31 115.54 1uva h LEU 51 Ca 0.01 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 1uva h LEU 51 Cb 0.53 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1uva h LEU 51 CO 0.04 0.61 -0.13 0.11 0.09 0.00 0.00 178.44 179.16 1uva h LYS 52 N 0.04 0.53 -0.34 1.13 1.57 -1.45 -1.05 116.57 116.99 1uva h LYS 52 Ca 0.04 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1uva h LYS 52 Cb 0.46 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1uva h LYS 52 CO 0.02 0.79 0.23 -0.91 -0.57 0.00 0.00 179.45 179.01 1uva h ASN 53 N 0.25 0.28 1.35 0.86 4.21 -1.04 0.14 115.58 121.64 1uva h ASN 53 Ca 0.05 -0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.48 1uva h ASN 53 Cb 0.64 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.76 1uva h ASN 53 CO 0.04 0.19 -0.68 0.00 -1.29 0.00 0.00 177.43 175.70 1uva h ALA 54 N 1.81 0.71 0.12 -0.83 0.00 -1.16 -3.30 119.26 116.60 1uva h ALA 54 Ca 0.14 -0.36 -0.27 0.00 0.00 0.00 0.00 54.91 54.42 1uva h ALA 54 Cb 0.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1uva h ALA 54 CO -0.03 0.44 -1.27 0.00 0.00 0.00 0.00 179.25 178.39 1uva h ALA 55 N 1.68 0.14 0.00 0.00 0.00 0.18 -3.08 119.26 118.18 1uva h ALA 55 Ca -0.04 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1uva h ALA 55 Cb 1.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1uva h ALA 55 CO 0.04 1.02 0.00 -2.13 0.00 0.00 0.00 179.25 178.18 1uva n ARG 56 N -3.50 0.75 -0.32 0.00 0.63 0.36 -2.55 116.66 112.02 1uva n ARG 56 Ca -0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 1uva n ARG 56 Cb 1.02 -1.32 0.00 0.00 0.45 0.00 0.00 32.46 32.61 1uva n ARG 56 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1uva n GLY 57 N 0.23 -0.54 3.26 5.14 0.00 -1.17 -5.05 105.19 107.06 1uva n GLY 57 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1uva n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uva s ILE 58 N 0.00 2.00 -0.33 -0.61 1.09 -1.06 -5.08 121.20 117.21 1uva s ILE 58 Ca 0.00 -1.04 -0.16 0.00 -1.10 0.00 0.00 60.65 58.36 1uva s ILE 58 Cb 0.00 -1.69 -0.02 0.00 -1.06 0.00 0.00 42.46 39.69 1uva s ILE 58 CO 0.00 0.56 0.41 -0.54 -0.10 0.00 0.00 174.94 175.26 1uva s LYS 59 N -0.14 3.69 0.00 2.79 1.02 -1.26 -3.96 119.74 121.87 1uva s LYS 59 Ca -0.04 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 55.72 1uva s LYS 59 Cb -0.14 -3.77 0.00 0.00 -0.52 0.00 0.00 37.83 33.41 1uva s LYS 59 CO 0.04 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 174.38 1uva n GLY 60 N 4.85 1.02 3.55 -3.33 0.00 -1.26 -4.94 105.19 105.08 1uva n GLY 60 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 1uva n GLY 60 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1uva n LEU 61 N 0.00 1.62 -4.68 0.99 0.00 -1.25 -4.21 117.00 109.47 1uva n LEU 61 Ca 0.00 -1.01 -0.42 0.00 0.00 0.00 0.00 56.01 54.57 1uva n LEU 61 Cb 0.00 -1.51 -0.03 0.00 0.00 0.00 0.00 43.42 41.89 1uva n LEU 61 CO 0.00 -2.10 1.09 0.21 0.00 0.00 0.00 177.39 176.59 1uva s ASN 62 N 10.33 6.91 0.37 1.96 3.04 0.98 -4.90 114.94 133.64 1uva s ASN 62 Ca 1.00 1.93 0.20 0.00 0.04 0.00 0.00 52.86 56.03 1uva s ASN 62 Cb -0.26 -2.55 0.55 0.00 -1.54 0.00 0.00 41.25 37.44 1uva s ASN 62 CO 0.20 -0.71 1.67 0.00 -3.04 0.00 0.00 177.10 175.21 1uva h ALA 63 N 8.01 0.89 0.48 1.71 0.00 -1.90 -1.97 119.26 126.49 1uva h ALA 63 Ca -0.34 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 1uva h ALA 63 Cb 1.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1uva h ALA 63 CO 0.92 0.44 -0.23 0.78 0.00 0.00 0.00 179.25 181.16 1uva h GLY 64 N 2.61 -0.68 1.30 0.00 0.00 -1.95 -2.26 103.07 102.08 1uva h GLY 64 Ca -0.00 0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.50 1uva h GLY 64 CO 0.05 -0.25 0.01 3.43 0.00 0.00 0.00 176.54 179.78 1uva h ASN 65 N -1.08 0.82 0.17 0.19 4.21 -1.85 -2.78 115.58 115.26 1uva h ASN 65 Ca -0.07 -0.20 -0.01 0.00 1.21 0.00 0.00 56.30 57.23 1uva h ASN 65 Cb 0.57 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 1uva h ASN 65 CO 0.11 0.88 -0.08 0.00 -1.29 0.00 0.00 177.43 177.05 1uva h ALA 66 N 1.21 -0.23 0.00 -0.83 0.00 -1.44 -2.40 119.26 115.57 1uva h ALA 66 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1uva h ALA 66 Cb 0.46 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1uva h ALA 66 CO 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 179.25 178.74 1uva n ALA 67 N -2.30 2.00 0.71 0.00 0.00 -0.85 -2.15 120.51 117.92 1uva n ALA 67 Ca -0.09 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.34 1uva n ALA 67 Cb 0.18 -1.25 -0.07 0.00 0.00 0.00 0.00 19.45 18.32 1uva n ALA 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uva n SER 68 N -1.09 0.92 -0.06 0.00 2.88 -0.93 -4.65 113.62 110.69 1uva n SER 68 Ca 0.10 -0.96 -0.08 0.00 -1.33 0.00 0.00 58.87 56.60 1uva n SER 68 Cb 0.07 0.88 -0.02 0.00 -0.75 0.00 0.00 64.21 64.39 1uva n SER 68 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1uva h ILE 69 N 0.42 0.33 -0.77 2.46 2.04 -1.10 -2.48 117.51 118.41 1uva h ILE 69 Ca 0.00 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.04 1uva h ILE 69 Cb 0.40 0.33 -0.12 0.00 -0.74 0.00 0.00 36.82 36.69 1uva h ILE 69 CO 0.00 0.00 0.16 -0.65 0.00 0.00 0.00 178.15 177.66 1uva h PRO 70 N -0.28 0.23 0.32 2.37 0.11 -1.83 -0.82 132.00 132.09 1uva h PRO 70 Ca 0.14 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 1uva h PRO 70 Cb 0.50 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1uva h PRO 70 CO -0.42 0.15 -0.15 1.03 -0.21 0.00 0.00 178.00 178.40 1uva h SER 71 N 0.23 -0.36 0.31 -2.05 0.87 -1.70 0.57 113.55 111.43 1uva h SER 71 Ca 0.44 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1uva h SER 71 Cb 0.79 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1uva h SER 71 CO -0.56 -0.15 0.00 0.29 -0.53 0.00 0.00 176.83 175.88 1uva n LYS 72 N -5.22 0.09 -0.00 2.24 4.76 -0.95 -2.08 118.16 117.00 1uva n LYS 72 Ca -0.10 0.23 0.07 0.00 -2.87 0.00 0.00 58.31 55.64 1uva n LYS 72 Cb 0.22 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.81 1uva n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uva n GLY 74 N 1.54 0.15 3.78 0.00 0.00 0.12 -5.02 105.19 105.77 1uva n GLY 74 Ca -0.01 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 1uva n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uva s VAL 75 N -2.42 5.02 -0.55 1.61 1.01 -0.79 -5.05 120.40 119.23 1uva s VAL 75 Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.82 1uva s VAL 75 Cb 0.00 -3.18 0.09 0.00 0.00 0.00 0.00 36.38 33.29 1uva s VAL 75 CO 0.00 0.59 0.65 -0.44 0.00 0.00 0.00 175.10 175.90 1uva s SER 76 N -0.80 6.19 -0.13 3.32 0.01 -1.26 -4.57 113.70 116.47 1uva s SER 76 Ca 0.13 -1.28 -0.03 0.00 1.31 0.00 0.00 55.95 56.08 1uva s SER 76 Cb -0.12 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 1uva s SER 76 CO 0.03 -1.00 -0.02 -0.69 0.41 0.00 0.00 173.24 171.97 1uva s VAL 77 N 2.54 4.10 0.53 3.43 1.01 -1.26 -5.02 120.40 125.74 1uva s VAL 77 Ca 0.12 -0.30 0.24 0.00 0.00 0.00 0.00 61.98 62.04 1uva s VAL 77 Cb -0.23 -2.77 0.31 0.00 0.00 0.00 0.00 36.38 33.68 1uva s VAL 77 CO 0.08 0.53 2.17 1.55 0.00 0.00 0.00 175.10 179.43 1uva h PRO 78 N 6.13 0.00 -5.65 2.72 0.13 -2.03 -3.44 132.00 129.86 1uva h PRO 78 Ca -0.39 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.28 1uva h PRO 78 Cb 1.19 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 1uva h PRO 78 CO 0.60 0.04 -0.76 1.52 -0.23 0.00 0.00 178.00 179.17 1uva s TYR 79 N -4.68 1.64 0.21 1.56 -0.85 -1.26 -5.12 117.35 108.84 1uva s TYR 79 Ca -0.05 -0.53 -0.30 0.00 -0.52 0.00 0.00 57.07 55.67 1uva s TYR 79 Cb 0.15 -0.81 -0.08 0.00 0.38 0.00 0.00 41.96 41.60 1uva s TYR 79 CO 0.60 0.27 1.05 0.99 -1.52 0.00 0.00 175.55 176.94 1uva s THR 80 N -2.36 3.87 -0.17 -3.49 2.01 -1.26 -4.96 115.64 109.28 1uva s THR 80 Ca 0.15 1.73 -0.29 0.00 0.31 0.00 0.00 61.69 63.59 1uva s THR 80 Cb -0.04 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 1uva s THR 80 CO 0.05 0.35 1.68 -0.63 -0.69 0.00 0.00 174.62 175.38 1uva s ILE 81 N -0.65 3.60 0.01 1.82 -1.09 -1.26 -4.89 121.20 118.74 1uva s ILE 81 Ca 0.46 0.69 -0.04 0.00 -2.23 0.00 0.00 60.65 59.53 1uva s ILE 81 Cb -0.29 -3.58 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 1uva s ILE 81 CO 0.35 -0.21 0.18 -1.54 -1.23 0.00 0.00 174.94 172.50 1uva n SER 82 N 8.31 -0.22 -0.00 3.58 3.41 -1.26 -4.20 113.62 123.23 1uva n SER 82 Ca 0.19 -1.08 0.05 0.00 -0.26 0.00 0.00 58.87 57.77 1uva n SER 82 Cb 0.44 0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 64.68 1uva n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uva n ALA 83 N -2.67 3.05 -0.21 7.33 0.00 -1.26 -4.51 120.51 122.24 1uva n ALA 83 Ca -0.02 -0.28 -0.07 0.00 0.00 0.00 0.00 53.44 53.08 1uva n ALA 83 Cb 0.09 -0.37 0.03 0.00 0.00 0.00 0.00 19.45 19.20 1uva n ALA 83 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1uva h SER 84 N 0.00 0.78 -3.18 0.00 0.02 -1.95 -3.43 113.55 105.79 1uva h SER 84 Ca 0.00 -0.13 -0.58 0.00 -0.84 0.00 0.00 61.79 60.24 1uva h SER 84 Cb 0.31 -0.20 0.16 0.00 0.14 0.00 0.00 62.40 62.81 1uva h SER 84 CO 0.00 0.69 -0.12 -0.38 -1.14 0.00 0.00 176.83 175.88 1uva n ILE 85 N -4.53 2.83 -3.56 3.27 2.08 -1.26 -4.96 119.36 113.23 1uva n ILE 85 Ca 0.04 -0.50 -0.41 0.00 0.56 0.00 0.00 62.75 62.44 1uva n ILE 85 Cb 0.12 -0.92 -0.08 0.00 -0.75 0.00 0.00 39.64 38.01 1uva n ILE 85 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1uva s ASP 86 N -1.13 5.70 0.47 4.38 2.15 -1.26 -4.95 116.67 122.03 1uva s ASP 86 Ca 0.70 -2.02 0.27 0.00 0.43 0.00 0.00 52.55 51.94 1uva s ASP 86 Cb -0.46 -2.00 1.32 0.00 -0.30 0.00 0.00 42.92 41.48 1uva s ASP 86 CO 0.52 -0.66 1.81 0.00 -0.17 0.00 0.00 175.17 176.66 1uva h SER 88 N 0.19 0.10 -0.72 0.00 4.64 -1.92 -2.44 113.55 113.40 1uva h SER 88 Ca 0.55 0.01 -0.51 0.00 -0.47 0.00 0.00 61.79 61.37 1uva h SER 88 Cb 1.80 -0.01 -0.35 0.00 -0.31 0.00 0.00 62.40 63.52 1uva h SER 88 CO -0.14 0.05 -0.40 -2.11 -0.87 0.00 0.00 176.83 173.36 1uva n ARG 89 N -4.38 3.17 -3.16 4.77 -4.01 0.62 -5.01 116.66 108.65 1uva n ARG 89 Ca 0.14 -3.86 -0.39 0.00 -1.04 0.00 0.00 57.85 52.69 1uva n ARG 89 Cb 0.70 -2.21 -0.06 0.00 -3.04 0.00 0.00 32.46 27.85 1uva n ARG 89 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 1uva s VAL 90 N -4.45 5.07 -2.16 8.89 1.01 -0.92 -4.97 120.40 122.87 1uva s VAL 90 Ca 0.53 1.17 0.31 0.00 0.00 0.00 0.00 61.98 63.98 1uva s VAL 90 Cb 0.43 -3.93 0.80 0.00 0.00 0.00 0.00 36.38 33.68 1uva s VAL 90 CO 0.02 0.19 2.08 -1.20 0.00 0.00 0.00 175.10 176.19