#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuf s SER 2 N 0.00 6.47 -0.22 1.61 1.04 -1.26 -4.69 113.70 116.66 2yuf s SER 2 Ca 0.00 1.49 -0.09 0.00 0.48 0.00 0.00 55.95 57.83 2yuf s SER 2 Cb 0.00 -2.48 0.03 0.00 0.10 0.00 0.00 66.02 63.67 2yuf s SER 2 CO 0.00 -0.69 0.18 -0.24 0.98 0.00 0.00 173.24 173.47 2yuf n SER 3 N -2.01 -2.42 0.00 7.02 2.88 -1.26 -5.06 113.62 112.76 2yuf n SER 3 Ca 0.06 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.95 2yuf n SER 3 Cb 0.54 -5.22 0.00 0.00 -0.75 0.00 0.00 64.21 58.78 2yuf n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuf n GLY 4 N 1.40 0.83 1.44 0.46 0.00 -1.26 -5.17 105.19 102.89 2yuf n GLY 4 Ca -0.31 -1.09 0.19 0.00 0.00 0.00 0.00 46.02 44.82 2yuf n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yuf n SER 5 N 0.00 -8.56 -4.33 1.61 7.64 -1.26 -4.97 113.62 103.75 2yuf n SER 5 Ca 0.00 0.75 -0.17 0.00 1.01 0.00 0.00 58.87 60.45 2yuf n SER 5 Cb 0.00 -4.46 -0.10 0.00 -1.01 0.00 0.00 64.21 58.64 2yuf n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yuf s SER 6 N -7.16 2.28 0.00 6.43 0.01 -1.26 -5.00 113.70 109.01 2yuf s SER 6 Ca 0.00 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.19 2yuf s SER 6 Cb 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2yuf s SER 6 CO 0.00 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2yuf n GLY 7 N -0.36 0.24 2.09 3.44 0.00 -1.26 -5.17 105.19 104.17 2yuf n GLY 7 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 2yuf n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yuf n GLU 8 N 0.00 0.24 -4.21 1.61 -0.58 -1.26 -5.10 120.64 111.34 2yuf n GLU 8 Ca 0.00 -1.47 -0.35 0.00 -0.42 0.00 0.00 57.16 54.92 2yuf n GLU 8 Cb 0.00 -0.35 -0.09 0.00 -0.57 0.00 0.00 31.44 30.43 2yuf n GLU 8 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yuf s ALA 9 N -2.97 3.44 0.55 0.62 0.00 -1.26 -5.00 121.76 117.14 2yuf s ALA 9 Ca 0.36 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.56 2yuf s ALA 9 Cb -0.02 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.44 2yuf s ALA 9 CO 0.24 0.53 0.00 1.28 0.00 0.00 0.00 175.76 177.81 2yuf n LEU 10 N 2.33 -0.95 -4.80 0.00 4.77 -1.26 -4.87 117.00 112.22 2yuf n LEU 10 Ca -0.19 2.19 -0.30 0.00 -0.03 0.00 0.00 56.01 57.69 2yuf n LEU 10 Cb 0.54 -3.83 0.19 0.00 -2.33 0.00 0.00 43.42 37.99 2yuf n LEU 10 CO 0.30 -2.55 0.77 -1.81 -1.33 0.00 0.00 177.39 172.77 2yuf s ASP 11 N -7.22 2.63 0.20 -1.43 1.01 -1.26 -4.82 116.67 105.78 2yuf s ASP 11 Ca 0.00 0.54 -0.02 0.00 0.71 0.00 0.00 52.55 53.78 2yuf s ASP 11 Cb 0.00 -0.77 0.13 0.00 1.01 0.00 0.00 42.92 43.29 2yuf s ASP 11 CO 0.00 -3.05 1.51 0.00 0.21 0.00 0.00 175.17 173.84 2yuf h ALA 12 N -1.85 0.72 0.16 5.23 0.00 -1.99 -1.20 119.26 120.32 2yuf h ALA 12 Ca -0.46 -0.52 -0.23 0.00 0.00 0.00 0.00 54.91 53.70 2yuf h ALA 12 Cb 1.28 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.00 2yuf h ALA 12 CO 0.43 0.69 -1.06 0.00 0.00 0.00 0.00 179.25 179.32 2yuf h ALA 13 N 1.00 -0.05 -0.04 0.00 0.00 -2.00 -3.26 119.26 114.90 2yuf h ALA 13 Ca 0.01 -0.80 -0.07 0.00 0.00 0.00 0.00 54.91 54.05 2yuf h ALA 13 Cb 1.10 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2yuf h ALA 13 CO 0.10 0.52 -0.29 0.00 0.00 0.00 0.00 179.25 179.59 2yuf h ALA 14 N 0.07 1.45 -0.02 0.00 0.00 -1.94 -2.48 119.26 116.33 2yuf h ALA 14 Ca -0.20 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 2yuf h ALA 14 Cb 1.77 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 2yuf h ALA 14 CO 0.16 0.40 -0.35 0.00 0.00 0.00 0.00 179.25 179.46 2yuf h ALA 15 N 1.64 1.38 -0.72 0.00 0.00 -1.31 -2.79 119.26 117.46 2yuf h ALA 15 Ca 0.01 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.61 2yuf h ALA 15 Cb 0.54 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2yuf h ALA 15 CO 0.04 0.46 0.48 -0.07 0.00 0.00 0.00 179.25 180.16 2yuf h LEU 16 N 0.04 0.80 -1.39 0.00 3.38 -1.48 -1.27 115.31 115.38 2yuf h LEU 16 Ca 0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2yuf h LEU 16 Cb 0.64 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2yuf h LEU 16 CO 0.05 0.56 -0.24 -1.28 0.09 0.00 0.00 178.44 177.63 2yuf h SER 17 N 0.93 0.10 0.48 -0.43 0.87 -1.58 0.20 113.55 114.12 2yuf h SER 17 Ca 0.27 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.70 2yuf h SER 17 Cb -0.04 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 2yuf h SER 17 CO -0.07 0.34 -0.52 0.58 -0.53 0.00 0.00 176.83 176.63 2yuf h VAL 18 N 0.10 1.37 0.00 2.23 2.07 -1.29 0.12 116.25 120.85 2yuf h VAL 18 Ca 0.02 -1.80 -0.21 0.00 0.82 0.00 0.00 66.70 65.53 2yuf h VAL 18 Cb 0.48 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 2yuf h VAL 18 CO 0.03 0.52 -1.39 0.00 0.02 0.00 0.00 177.57 176.75 2yuf h ALA 19 N 1.43 0.67 0.22 1.67 0.00 -1.19 -3.19 119.26 118.87 2yuf h ALA 19 Ca -0.00 -1.03 -0.34 0.00 0.00 0.00 0.00 54.91 53.53 2yuf h ALA 19 Cb 0.94 0.28 0.02 0.00 0.00 0.00 0.00 17.79 19.04 2yuf h ALA 19 CO 0.07 1.15 -1.61 0.93 0.00 0.00 0.00 179.25 179.79 2yuf h GLU 20 N 0.00 0.46 -0.16 0.00 5.08 -0.89 -3.26 114.58 115.81 2yuf h GLU 20 Ca -0.18 -0.78 -0.02 0.00 -1.00 0.00 0.00 59.36 57.38 2yuf h GLU 20 Cb 1.73 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 2yuf h GLU 20 CO 0.07 1.37 0.02 0.00 -1.00 0.00 0.00 179.01 179.47 2yuf h VAL 22 N 0.04 0.83 0.00 0.00 3.04 -1.70 0.54 116.25 119.00 2yuf h VAL 22 Ca 0.05 -0.07 -0.09 0.00 -1.01 0.00 0.00 66.70 65.58 2yuf h VAL 22 Cb 0.32 0.62 -0.01 0.00 -2.01 0.00 0.00 31.29 30.20 2yuf h VAL 22 CO 0.00 0.04 -0.51 -0.33 -1.01 0.00 0.00 177.57 175.76 2yuf h GLU 23 N 0.20 0.00 0.00 4.17 4.39 -1.54 -1.56 114.58 120.24 2yuf h GLU 23 Ca 0.25 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.67 2yuf h GLU 23 Cb 0.71 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.31 2yuf h GLU 23 CO -0.04 0.38 -1.61 0.00 -1.16 0.00 0.00 179.01 176.59 2yuf h ARG 24 N 0.00 0.00 0.00 2.33 2.47 -0.01 -3.37 114.38 115.81 2yuf h ARG 24 Ca -0.02 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.52 2yuf h ARG 24 Cb 1.33 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.62 2yuf h ARG 24 CO 0.05 0.53 -1.32 0.00 0.56 0.00 0.00 179.97 179.79 2yuf h MET 25 N 0.00 0.00 0.15 0.04 -0.00 -0.12 -3.38 114.93 111.62 2yuf h MET 25 Ca -0.25 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.46 2yuf h MET 25 Cb 1.96 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.54 2yuf h MET 25 CO 0.08 0.39 -0.18 0.00 -0.00 0.00 0.00 176.91 177.20 2yuf h ALA 26 N 1.34 -0.35 -0.83 -3.00 0.00 -1.43 0.21 119.26 115.20 2yuf h ALA 26 Ca -0.15 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 54.93 2yuf h ALA 26 Cb 1.64 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 19.66 2yuf h ALA 26 CO 0.06 -0.72 0.58 -1.35 0.00 0.00 0.00 179.25 177.81 2yuf h PRO 27 N -0.38 0.15 0.02 0.00 0.11 -1.73 0.16 132.00 130.32 2yuf h PRO 27 Ca 0.01 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.84 2yuf h PRO 27 Cb 0.38 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.42 2yuf h PRO 27 CO -0.07 0.10 -1.49 1.79 -0.21 0.00 0.00 178.00 178.13 2yuf h THR 28 N 0.15 1.14 -3.96 -1.15 1.35 -1.60 -3.46 112.91 105.38 2yuf h THR 28 Ca 0.41 -2.91 -0.54 0.00 -0.55 0.00 0.00 66.41 62.81 2yuf h THR 28 Cb 1.37 2.60 0.11 0.00 -1.73 0.00 0.00 68.15 70.51 2yuf h THR 28 CO -0.07 0.70 0.76 -0.76 -0.25 0.00 0.00 175.52 175.90 2yuf s LEU 29 N -6.45 4.24 0.00 3.87 1.43 0.67 -5.01 118.68 117.42 2yuf s LEU 29 Ca -0.04 3.03 -0.01 0.00 -1.03 0.00 0.00 54.13 56.07 2yuf s LEU 29 Cb 0.08 -3.76 0.01 0.00 0.03 0.00 0.00 46.19 42.55 2yuf s LEU 29 CO 0.83 -1.00 0.06 -0.81 0.23 0.00 0.00 176.35 175.65 2yuf n PRO 30 N 0.21 -0.56 -5.00 1.29 -0.04 -1.26 -4.96 135.00 124.68 2yuf n PRO 30 Ca 0.02 -0.09 -0.32 0.00 -0.04 0.00 0.00 63.50 63.07 2yuf n PRO 30 Cb 0.40 -0.07 -0.15 0.00 -0.04 0.00 0.00 33.50 33.64 2yuf n PRO 30 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2yuf s LYS 31 N -3.13 2.87 0.70 0.54 -0.14 -1.26 -5.11 119.74 114.21 2yuf s LYS 31 Ca 0.03 -0.78 0.02 0.00 -1.36 0.00 0.00 55.97 53.89 2yuf s LYS 31 Cb -0.00 -2.39 0.13 0.00 -1.68 0.00 0.00 37.83 33.88 2yuf s LYS 31 CO 0.03 0.37 0.96 -1.12 -0.76 0.00 0.00 175.35 174.82 2yuf s SER 32 N -0.08 4.46 -0.18 2.83 0.01 -1.26 -5.09 113.70 114.39 2yuf s SER 32 Ca -0.04 -0.53 -0.07 0.00 1.31 0.00 0.00 55.95 56.62 2yuf s SER 32 Cb -0.14 0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 2yuf s SER 32 CO 0.04 -1.79 0.06 -1.81 0.41 0.00 0.00 173.24 170.15 2yuf s ASP 33 N -4.75 5.61 -0.06 2.44 1.01 -1.26 -4.99 116.67 114.68 2yuf s ASP 33 Ca 0.66 0.08 0.11 0.00 0.71 0.00 0.00 52.55 54.12 2yuf s ASP 33 Cb -0.05 -1.95 -0.23 0.00 1.01 0.00 0.00 42.92 41.70 2yuf s ASP 33 CO 0.43 0.18 0.60 0.18 0.21 0.00 0.00 175.17 176.78 2yuf n LEU 34 N 3.46 0.98 0.18 1.23 4.77 -1.26 -3.62 117.00 122.74 2yuf n LEU 34 Ca -0.17 0.37 0.04 0.00 -0.03 0.00 0.00 56.01 56.23 2yuf n LEU 34 Cb 0.52 0.08 0.45 0.00 -2.33 0.00 0.00 43.42 42.14 2yuf n LEU 34 CO 0.35 0.43 0.88 -1.13 -1.33 0.00 0.00 177.39 176.60 2yuf h ASN 35 N 0.01 0.08 0.12 -1.43 -1.24 -1.99 -0.13 115.58 111.00 2yuf h ASN 35 Ca -0.31 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 56.67 2yuf h ASN 35 Cb 2.03 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 41.06 2yuf h ASN 35 CO 0.08 0.27 -0.06 -0.08 -1.29 0.00 0.00 177.43 176.35 2yuf h GLU 36 N 0.09 -0.15 -0.07 6.67 4.57 -2.00 -3.23 114.58 120.45 2yuf h GLU 36 Ca 0.02 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.23 2yuf h GLU 36 Cb 0.37 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2yuf h GLU 36 CO 0.02 0.19 0.05 -0.39 -1.18 0.00 0.00 179.01 177.70 2yuf h VAL 37 N -0.98 0.92 0.31 0.32 -1.51 -1.61 -2.60 116.25 111.09 2yuf h VAL 37 Ca -0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.44 2yuf h VAL 37 Cb 0.41 0.96 -0.00 0.00 -2.13 0.00 0.00 31.29 30.53 2yuf h VAL 37 CO 0.03 0.00 -0.19 0.11 -1.23 0.00 0.00 177.57 176.29 2yuf h LYS 38 N 0.00 -0.46 -0.13 5.19 1.57 -1.10 -2.28 116.57 119.37 2yuf h LYS 38 Ca 0.03 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2yuf h LYS 38 Cb 0.14 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2yuf h LYS 38 CO -0.00 -0.31 0.09 0.93 -0.57 0.00 0.00 179.45 179.59 2yuf h GLU 39 N -0.48 0.11 -0.02 3.15 5.08 -1.49 -0.76 114.58 120.18 2yuf h GLU 39 Ca -0.03 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2yuf h GLU 39 Cb 0.39 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2yuf h GLU 39 CO 0.04 0.07 0.02 1.25 -1.00 0.00 0.00 179.01 179.39 2yuf h LEU 40 N 0.11 0.00 0.13 1.33 6.46 -1.22 -1.97 115.31 120.15 2yuf h LEU 40 Ca 0.05 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.53 2yuf h LEU 40 Cb 0.07 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 2yuf h LEU 40 CO -0.01 0.00 -1.42 -0.07 -0.62 0.00 0.00 178.44 176.32 2yuf h LEU 41 N 0.00 0.42 -2.08 2.25 3.38 -1.05 -2.68 115.31 115.55 2yuf h LEU 41 Ca 0.01 -0.87 0.02 0.00 0.09 0.00 0.00 57.88 57.12 2yuf h LEU 41 Cb 0.05 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2yuf h LEU 41 CO -0.00 1.63 0.04 0.11 0.09 0.00 0.00 178.44 180.31 2yuf h LYS 42 N -0.25 0.00 0.02 1.13 1.57 -1.28 -2.01 116.57 115.75 2yuf h LYS 42 Ca -0.30 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.19 2yuf h LYS 42 Cb 1.80 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.07 2yuf h LYS 42 CO 0.08 0.00 -1.67 0.00 -0.57 0.00 0.00 179.45 177.30 2yuf h THR 43 N 0.00 0.92 -3.78 -0.16 1.03 -1.49 -3.45 112.91 105.98 2yuf h THR 43 Ca 0.02 -2.73 -0.65 0.00 -0.01 0.00 0.00 66.41 63.04 2yuf h THR 43 Cb 0.10 2.49 -0.17 0.00 -1.07 0.00 0.00 68.15 69.51 2yuf h THR 43 CO -0.00 0.61 -0.42 0.20 -0.01 0.00 0.00 175.52 175.89 2yuf s ASN 44 N -6.33 6.10 0.18 0.00 -0.87 -0.75 -4.95 114.94 108.30 2yuf s ASN 44 Ca -0.07 -0.11 0.04 0.00 -1.57 0.00 0.00 52.86 51.16 2yuf s ASN 44 Cb 0.08 -2.15 0.03 0.00 -0.02 0.00 0.00 41.25 39.19 2yuf s ASN 44 CO 0.82 -0.17 1.41 0.11 -2.57 0.00 0.00 177.10 176.70 2yuf h LYS 45 N 8.39 0.16 -0.03 -0.60 1.57 -1.87 -2.54 116.57 121.65 2yuf h LYS 45 Ca -0.33 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.26 2yuf h LYS 45 Cb 1.17 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2yuf h LYS 45 CO 0.61 0.91 -0.08 -0.22 -0.57 0.00 0.00 179.45 180.10 2yuf h LYS 46 N 0.09 0.10 -0.64 3.15 3.64 -1.92 -2.61 116.57 118.38 2yuf h LYS 46 Ca -0.03 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2yuf h LYS 46 Cb 1.46 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.26 2yuf h LYS 46 CO 0.12 0.69 0.37 -0.07 -2.27 0.00 0.00 179.45 178.29 2yuf h LEU 47 N -0.47 0.79 -1.71 5.20 3.38 -1.90 0.44 115.31 121.03 2yuf h LEU 47 Ca -0.00 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2yuf h LEU 47 Cb 0.70 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2yuf h LEU 47 CO 0.02 0.64 -0.16 0.00 0.09 0.00 0.00 178.44 179.03 2yuf h ALA 48 N 1.18 1.69 0.00 1.53 0.00 -1.51 0.11 119.26 122.25 2yuf h ALA 48 Ca 0.23 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.73 2yuf h ALA 48 Cb 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2yuf h ALA 48 CO -0.04 0.20 -1.53 -0.22 0.00 0.00 0.00 179.25 177.65 2yuf h LYS 49 N 0.00 0.00 0.01 0.00 1.63 -0.96 -2.66 116.57 114.59 2yuf h LYS 49 Ca -0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2yuf h LYS 49 Cb 0.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 2yuf h LYS 49 CO 0.02 0.59 -0.01 1.98 -3.45 0.00 0.00 179.45 178.58 2yuf h MET 50 N 0.00 -0.02 -0.92 1.90 4.05 0.32 -3.42 114.93 116.84 2yuf h MET 50 Ca -0.22 0.00 -0.52 0.00 -0.28 0.00 0.00 59.70 58.69 2yuf h MET 50 Cb 1.94 0.00 -0.42 0.00 -0.80 0.00 0.00 31.60 32.32 2yuf h MET 50 CO 0.09 -0.01 -0.85 0.44 0.23 0.00 0.00 176.91 176.81 2yuf n ILE 51 N -2.69 2.27 -0.08 1.77 -5.35 0.31 -4.73 119.36 110.86 2yuf n ILE 51 Ca -0.00 -4.20 -0.07 0.00 -0.27 0.00 0.00 62.75 58.21 2yuf n ILE 51 Cb 0.01 -0.80 -0.13 0.00 -1.74 0.00 0.00 39.64 36.97 2yuf n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2yuf n GLY 52 N -0.61 -0.83 0.17 3.28 0.00 -0.81 -4.42 105.19 101.98 2yuf n GLY 52 Ca 0.37 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 46.12 2yuf n GLY 52 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2yuf h HIS 53 N 0.00 0.00 -0.05 1.61 2.07 -1.84 -2.88 115.15 114.05 2yuf h HIS 53 Ca -0.43 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.01 2yuf h HIS 53 Cb 1.96 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.93 2yuf h HIS 53 CO 0.00 0.46 -0.34 0.82 -3.07 0.00 0.00 177.93 175.80 2yuf h ILE 54 N 0.00 1.26 -0.04 6.12 2.04 -1.91 -2.43 117.51 122.55 2yuf h ILE 54 Ca -0.00 -1.24 -0.13 0.00 1.00 0.00 0.00 64.86 64.48 2yuf h ILE 54 Cb 0.88 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 2yuf h ILE 54 CO 0.06 0.36 -0.58 -0.26 0.00 0.00 0.00 178.15 177.73 2yuf h PHE 55 N 0.09 0.16 -0.07 1.37 0.04 -1.72 -3.22 116.94 113.60 2yuf h PHE 55 Ca 0.01 -0.06 -0.08 0.00 2.80 0.00 0.00 57.97 60.64 2yuf h PHE 55 Cb 0.64 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.77 2yuf h PHE 55 CO 0.00 0.68 -0.27 0.93 -0.60 0.00 0.00 178.31 179.05 2yuf h GLU 56 N 0.10 0.31 -7.25 1.51 5.08 -1.47 -3.45 114.58 109.40 2yuf h GLU 56 Ca -0.00 -0.24 -0.51 0.00 -1.00 0.00 0.00 59.36 57.61 2yuf h GLU 56 Cb 1.05 0.05 0.20 0.00 0.50 0.00 0.00 28.75 30.55 2yuf h GLU 56 CO 0.08 0.87 0.19 1.41 -1.00 0.00 0.00 179.01 180.56 2yuf s MET 57 N -3.69 0.69 0.65 2.33 1.75 -0.95 -5.02 119.30 115.05 2yuf s MET 57 Ca -0.14 1.44 -0.11 0.00 -1.25 0.00 0.00 55.69 55.62 2yuf s MET 57 Cb 0.03 -1.70 0.15 0.00 2.84 0.00 0.00 34.83 36.16 2yuf s MET 57 CO 0.76 -2.82 0.76 0.09 -0.65 0.00 0.00 175.02 173.16 2yuf n ASN 58 N -4.36 -0.54 -0.05 1.11 3.02 -1.26 -4.97 115.26 108.21 2yuf n ASN 58 Ca 0.10 -1.16 -0.05 0.00 -0.03 0.00 0.00 54.58 53.44 2yuf n ASN 58 Cb 0.52 -0.62 -0.08 0.00 -0.61 0.00 0.00 39.78 38.99 2yuf n ASN 58 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2yuf n ASP 59 N -3.74 2.35 0.17 6.41 8.00 -1.26 -4.52 116.55 123.97 2yuf n ASP 59 Ca 0.10 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.70 2yuf n ASP 59 Cb 0.35 0.77 0.62 0.00 -0.02 0.00 0.00 41.12 42.85 2yuf n ASP 59 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2yuf h ASP 60 N 0.00 0.06 -2.86 -2.24 5.19 -2.03 -3.42 116.42 111.12 2yuf h ASP 60 Ca -0.29 -0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.59 2yuf h ASP 60 Cb 1.65 -0.01 0.04 0.00 0.18 0.00 0.00 39.33 41.18 2yuf h ASP 60 CO 0.02 0.04 0.84 -1.81 -3.12 0.00 0.00 179.24 175.21 2yuf s ASP 61 N -6.84 6.66 0.40 6.45 1.01 -1.26 -4.91 116.67 118.18 2yuf s ASP 61 Ca -0.05 2.52 0.21 0.00 0.71 0.00 0.00 52.55 55.93 2yuf s ASP 61 Cb 0.18 -2.59 0.75 0.00 1.01 0.00 0.00 42.92 42.27 2yuf s ASP 61 CO 0.69 -0.78 1.76 1.55 0.21 0.00 0.00 175.17 178.60 2yuf h PRO 62 N 6.93 0.00 -0.13 8.23 0.13 -1.96 -3.06 132.00 142.13 2yuf h PRO 62 Ca -0.42 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.74 2yuf h PRO 62 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2yuf h PRO 62 CO 0.90 0.32 0.22 0.45 -0.23 0.00 0.00 178.00 179.66 2yuf h HIS 63 N 0.00 0.00 -0.57 1.56 3.86 -1.94 -1.08 115.15 116.97 2yuf h HIS 63 Ca -0.00 0.00 0.15 0.00 -1.16 0.00 0.00 60.37 59.35 2yuf h HIS 63 Cb 0.85 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.29 2yuf h HIS 63 CO 0.00 0.00 0.40 -0.22 0.86 0.00 0.00 177.93 178.97 2yuf h LYS 64 N 0.00 0.11 -0.04 2.45 3.64 -1.88 0.12 116.57 120.96 2yuf h LYS 64 Ca 0.06 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.29 2yuf h LYS 64 Cb 0.50 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2yuf h LYS 64 CO -0.00 0.07 -0.62 0.93 -2.27 0.00 0.00 179.45 177.56 2yuf h GLU 65 N 0.11 0.17 -0.04 1.90 3.07 -1.45 -2.30 114.58 116.04 2yuf h GLU 65 Ca 0.27 -0.12 -0.11 0.00 -0.50 0.00 0.00 59.36 58.91 2yuf h GLU 65 Cb 0.93 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 2yuf h GLU 65 CO -0.03 0.73 -0.47 0.93 -1.40 0.00 0.00 179.01 178.77 2yuf h GLU 66 N 0.12 0.10 0.13 2.33 5.08 -0.90 0.71 114.58 122.15 2yuf h GLU 66 Ca -0.01 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.05 2yuf h GLU 66 Cb 1.12 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.40 2yuf h GLU 66 CO 0.09 0.55 -1.06 0.93 -1.00 0.00 0.00 179.01 178.52 2yuf h GLU 67 N 0.08 0.48 0.00 2.33 4.39 -1.34 -3.29 114.58 117.23 2yuf h GLU 67 Ca 0.00 -0.70 -0.14 0.00 0.34 0.00 0.00 59.36 58.87 2yuf h GLU 67 Cb 0.87 0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 2yuf h GLU 67 CO 0.07 1.31 -0.64 0.82 -1.16 0.00 0.00 179.01 179.40 2yuf h ILE 68 N 0.00 1.39 0.00 3.13 2.04 -1.38 -3.05 117.51 119.65 2yuf h ILE 68 Ca -0.17 -2.26 -0.02 0.00 1.00 0.00 0.00 64.86 63.41 2yuf h ILE 68 Cb 1.79 2.24 -0.00 0.00 -0.74 0.00 0.00 36.82 40.11 2yuf h ILE 68 CO 0.20 0.63 -0.08 0.03 0.00 0.00 0.00 178.15 178.93 2yuf h ARG 69 N 0.00 0.00 0.17 2.37 3.08 -0.93 0.86 114.38 119.93 2yuf h ARG 69 Ca -0.01 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.81 2yuf h ARG 69 Cb 1.19 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.26 2yuf h ARG 69 CO 0.08 0.08 -1.03 -0.22 -1.07 0.00 0.00 179.97 177.81 2yuf h LYS 70 N 0.00 0.35 0.01 0.04 3.64 -1.60 -3.34 116.57 115.68 2yuf h LYS 70 Ca -0.00 -0.61 -0.20 0.00 -1.27 0.00 0.00 60.65 58.58 2yuf h LYS 70 Cb 0.15 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2yuf h LYS 70 CO 0.01 1.29 -0.89 1.88 -2.27 0.00 0.00 179.45 179.47 2yuf h TYR 71 N -0.24 0.23 -0.35 1.91 0.05 -1.43 -3.42 116.97 113.72 2yuf h TYR 71 Ca -0.18 -0.13 -0.02 0.00 0.05 0.00 0.00 58.73 58.45 2yuf h TYR 71 Cb 1.78 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 39.50 2yuf h TYR 71 CO 0.18 0.96 0.05 -1.54 -1.05 0.00 0.00 178.16 176.75 2yuf s SER 72 N -6.90 3.90 -0.29 3.88 1.04 0.30 -4.79 113.70 110.83 2yuf s SER 72 Ca -0.02 -0.05 -0.15 0.00 0.48 0.00 0.00 55.95 56.21 2yuf s SER 72 Cb 0.10 -2.55 0.14 0.00 0.10 0.00 0.00 66.02 63.80 2yuf s SER 72 CO 0.82 -3.91 0.88 0.00 0.98 0.00 0.00 173.24 172.01 2yuf s ALA 73 N 14.80 -2.28 -0.02 5.32 0.00 -1.26 -4.79 121.76 133.54 2yuf s ALA 73 Ca 0.91 2.23 0.00 0.00 0.00 0.00 0.00 51.96 55.10 2yuf s ALA 73 Cb -0.12 -1.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.24 2yuf s ALA 73 CO 0.08 -0.59 -0.01 -0.89 0.00 0.00 0.00 175.76 174.35 2yuf n ILE 74 N 4.39 0.09 -3.17 0.00 5.41 -1.26 -4.92 119.36 119.89 2yuf n ILE 74 Ca -0.16 -0.03 -0.45 0.00 1.00 0.00 0.00 62.75 63.11 2yuf n ILE 74 Cb 0.55 -0.67 -0.03 0.00 -0.71 0.00 0.00 39.64 38.78 2yuf n ILE 74 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 2yuf s TYR 75 N -2.03 3.31 0.00 1.39 1.51 -1.26 -4.93 117.35 115.33 2yuf s TYR 75 Ca -0.02 -1.43 0.00 0.00 -1.01 0.00 0.00 57.07 54.61 2yuf s TYR 75 Cb 0.01 -3.97 0.00 0.00 -0.11 0.00 0.00 41.96 37.88 2yuf s TYR 75 CO 0.04 -1.20 0.00 0.41 -1.11 0.00 0.00 175.55 173.69 2yuf n GLY 76 N 4.89 1.66 3.93 0.71 0.00 -1.26 -4.92 105.19 110.19 2yuf n GLY 76 Ca 0.04 -1.93 -0.26 0.00 0.00 0.00 0.00 46.02 43.87 2yuf n GLY 76 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2yuf s ARG 77 N -2.53 3.53 -0.62 1.61 6.06 -1.26 -4.96 118.95 120.78 2yuf s ARG 77 Ca 0.00 -0.27 -0.01 0.00 -2.50 0.00 0.00 55.73 52.96 2yuf s ARG 77 Cb 0.00 -2.73 0.45 0.00 0.06 0.00 0.00 34.95 32.73 2yuf s ARG 77 CO 0.00 0.26 1.91 1.97 -2.50 0.00 0.00 175.30 176.94 2yuf n PHE 78 N -1.17 3.16 -4.33 5.12 -1.74 -1.26 -4.95 117.46 112.29 2yuf n PHE 78 Ca -0.04 -2.89 -0.20 0.00 -0.56 0.00 0.00 57.45 53.77 2yuf n PHE 78 Cb 0.55 -1.27 -0.13 0.00 1.52 0.00 0.00 39.48 40.14 2yuf n PHE 78 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2yuf s ASP 79 N -2.06 1.64 -0.04 5.98 2.15 -1.26 -5.13 116.67 117.95 2yuf s ASP 79 Ca 0.62 -0.47 -0.27 0.00 0.43 0.00 0.00 52.55 52.86 2yuf s ASP 79 Cb 0.49 -0.10 -0.03 0.00 -0.30 0.00 0.00 42.92 42.98 2yuf s ASP 79 CO -0.03 0.02 0.87 -0.44 -0.17 0.00 0.00 175.17 175.42 2yuf s SER 80 N -1.20 7.19 0.04 -0.34 0.01 -1.26 -5.02 113.70 113.12 2yuf s SER 80 Ca 0.01 1.44 -0.28 0.00 1.31 0.00 0.00 55.95 58.43 2yuf s SER 80 Cb -0.08 -2.50 0.09 0.00 0.21 0.00 0.00 66.02 63.74 2yuf s SER 80 CO 0.01 -0.23 0.98 -0.75 0.41 0.00 0.00 173.24 173.67 2yuf s LYS 81 N 1.08 0.87 0.39 12.44 2.20 -1.26 -5.16 119.74 130.31 2yuf s LYS 81 Ca 0.45 -0.41 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 2yuf s LYS 81 Cb -0.19 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 2yuf s LYS 81 CO 0.22 -0.39 0.00 -2.13 -0.36 0.00 0.00 175.35 172.69 2yuf n ARG 82 N -0.34 -2.96 0.23 4.03 3.00 -1.26 -4.47 116.66 114.89 2yuf n ARG 82 Ca -0.07 2.07 -0.15 0.00 -0.00 0.00 0.00 57.85 59.70 2yuf n ARG 82 Cb 0.61 -3.57 -0.08 0.00 0.00 0.00 0.00 32.46 29.42 2yuf n ARG 82 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2yuf h LYS 83 N -1.34 -0.55 -7.25 -0.14 6.56 -2.05 -3.44 116.57 108.37 2yuf h LYS 83 Ca -0.02 0.04 -0.49 0.00 -1.06 0.00 0.00 60.65 59.11 2yuf h LYS 83 Cb 1.31 0.13 0.19 0.00 -0.57 0.00 0.00 32.23 33.29 2yuf h LYS 83 CO 0.03 -0.28 0.17 0.34 -2.06 0.00 0.00 179.45 177.65 2yuf s ASP 84 N -4.81 2.55 0.00 0.86 2.15 -1.26 -4.98 116.67 111.18 2yuf s ASP 84 Ca -0.15 1.89 0.00 0.00 0.43 0.00 0.00 52.55 54.72 2yuf s ASP 84 Cb 0.03 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 2yuf s ASP 84 CO 0.58 -3.28 0.00 0.61 -0.17 0.00 0.00 175.17 172.90 2yuf n GLY 85 N 0.11 -0.02 0.33 2.66 0.00 -1.26 -4.63 105.19 102.37 2yuf n GLY 85 Ca 0.09 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 2yuf n GLY 85 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2yuf h LYS 86 N 0.00 -0.69 0.00 1.61 3.64 -1.98 -3.48 116.57 115.66 2yuf h LYS 86 Ca 0.00 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.56 2yuf h LYS 86 Cb 0.00 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2yuf h LYS 86 CO 0.00 -0.46 -0.17 0.72 -2.27 0.00 0.00 179.45 177.27 2yuf n HIS 87 N -4.32 -2.50 -1.99 1.91 8.25 -1.26 -4.99 115.22 110.32 2yuf n HIS 87 Ca -0.09 0.59 0.15 0.00 -0.26 0.00 0.00 57.72 58.12 2yuf n HIS 87 Cb 0.31 -0.91 -0.04 0.00 1.12 0.00 0.00 29.99 30.47 2yuf n HIS 87 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2yuf n LEU 88 N 0.00 0.00 0.02 2.41 4.77 -1.26 -4.95 117.00 117.99 2yuf n LEU 88 Ca 0.00 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.19 2yuf n LEU 88 Cb 0.22 -3.41 0.00 0.00 -2.33 0.00 0.00 43.42 37.90 2yuf n LEU 88 CO 0.00 -2.47 -0.02 1.07 -1.33 0.00 0.00 177.39 174.65 2yuf n THR 89 N -3.65 0.01 0.03 -5.08 5.66 -1.26 -5.08 114.28 104.91 2yuf n THR 89 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2yuf n THR 89 Cb 0.51 -0.54 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 2yuf n THR 89 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2yuf n LEU 90 N -2.65 -0.60 -0.36 1.09 7.94 -1.26 -4.97 117.00 116.18 2yuf n LEU 90 Ca 0.00 0.42 0.00 0.00 -1.11 0.00 0.00 56.01 55.32 2yuf n LEU 90 Cb 0.02 0.87 0.15 0.00 0.53 0.00 0.00 43.42 44.99 2yuf n LEU 90 CO 0.00 0.02 1.28 -0.74 -1.11 0.00 0.00 177.39 176.84 2yuf h HIS 91 N 0.00 1.22 -0.08 1.96 2.76 -1.99 -1.07 115.15 117.95 2yuf h HIS 91 Ca 0.00 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2yuf h HIS 91 Cb 0.00 -0.41 -0.00 0.00 1.55 0.00 0.00 27.41 28.55 2yuf h HIS 91 CO 0.00 0.71 0.03 0.93 -1.30 0.00 0.00 177.93 178.31 2yuf h GLU 92 N 1.26 0.10 0.03 5.26 3.07 -1.93 -1.46 114.58 120.91 2yuf h GLU 92 Ca 0.39 -0.01 -0.22 0.00 -0.50 0.00 0.00 59.36 59.02 2yuf h GLU 92 Cb -0.02 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 2yuf h GLU 92 CO -0.11 0.09 -1.03 -0.07 -1.40 0.00 0.00 179.01 176.48 2yuf h LEU 93 N 0.11 0.11 -0.94 1.33 3.38 -1.58 -2.26 115.31 115.45 2yuf h LEU 93 Ca 0.03 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 2yuf h LEU 93 Cb 0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2yuf h LEU 93 CO -0.00 1.06 -0.48 0.74 0.09 0.00 0.00 178.44 179.85 2yuf h THR 94 N 0.02 1.34 0.20 0.22 2.02 -0.54 -2.54 112.91 113.64 2yuf h THR 94 Ca -0.04 -1.67 -0.35 0.00 0.77 0.00 0.00 66.41 65.12 2yuf h THR 94 Cb 1.77 1.85 0.02 0.00 -1.74 0.00 0.00 68.15 70.05 2yuf h THR 94 CO 0.14 0.49 -1.70 0.58 0.37 0.00 0.00 175.52 175.41 2yuf h VAL 95 N 0.09 1.01 -0.03 3.16 2.07 -1.41 -1.06 116.25 120.08 2yuf h VAL 95 Ca 0.00 -2.56 -0.02 0.00 0.82 0.00 0.00 66.70 64.94 2yuf h VAL 95 Cb 0.88 2.82 -0.00 0.00 -1.52 0.00 0.00 31.29 33.47 2yuf h VAL 95 CO 0.07 0.85 -0.09 0.78 0.02 0.00 0.00 177.57 179.20 2yuf h ASN 96 N 0.12 0.04 0.21 0.57 4.21 -1.40 -2.71 115.58 116.62 2yuf h ASN 96 Ca -0.33 -0.00 -0.32 0.00 1.21 0.00 0.00 56.30 56.86 2yuf h ASN 96 Cb 2.12 -0.01 -0.06 0.00 -1.12 0.00 0.00 38.32 39.25 2yuf h ASN 96 CO 0.20 0.14 -2.08 1.21 -1.29 0.00 0.00 177.43 175.60 2yuf n GLU 97 N -4.41 0.66 0.19 0.81 2.13 -0.96 -3.31 120.64 115.75 2yuf n GLU 97 Ca -0.02 0.11 0.12 0.00 0.66 0.00 0.00 57.16 58.02 2yuf n GLU 97 Cb 0.18 -1.63 0.66 0.00 0.27 0.00 0.00 31.44 30.92 2yuf n GLU 97 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2yuf h ALA 98 N 1.05 2.13 0.00 4.31 0.00 -0.88 -1.99 119.26 123.88 2yuf h ALA 98 Ca -0.42 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 2yuf h ALA 98 Cb 2.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.89 2yuf h ALA 98 CO 0.05 -0.19 -2.01 0.00 0.00 0.00 0.00 179.25 177.10 2yuf n ALA 99 N -2.56 2.63 0.05 0.00 0.00 -1.08 -4.09 120.51 115.46 2yuf n ALA 99 Ca 0.01 -0.61 0.19 0.00 0.00 0.00 0.00 53.44 53.03 2yuf n ALA 99 Cb 0.24 -0.69 0.71 0.00 0.00 0.00 0.00 19.45 19.71 2yuf n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yuf h ALA 100 N 1.87 2.36 0.01 0.00 0.00 -1.35 0.40 119.26 122.55 2yuf h ALA 100 Ca -0.07 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.50 2yuf h ALA 100 Cb 1.16 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 2yuf h ALA 100 CO 0.00 -0.58 -1.96 1.04 0.00 0.00 0.00 179.25 177.75 2yuf n GLN 101 N -4.25 0.66 -0.18 0.00 6.02 -1.21 -4.03 117.38 114.39 2yuf n GLN 101 Ca 0.08 0.20 -0.10 0.00 -0.01 0.00 0.00 57.00 57.16 2yuf n GLN 101 Cb 0.55 -1.70 0.01 0.00 1.02 0.00 0.00 30.24 30.12 2yuf n GLN 101 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2yuf h LEU 102 N 0.01 0.99 -1.65 1.08 3.38 -1.36 -2.81 115.31 114.94 2yuf h LEU 102 Ca -0.38 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.20 2yuf h LEU 102 Cb 2.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 2yuf h LEU 102 CO 0.06 1.11 -0.16 0.00 0.09 0.00 0.00 178.44 179.54 2yuf h VAL 104 N 0.02 0.00 0.28 0.00 2.07 -1.63 -3.17 116.25 113.82 2yuf h VAL 104 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2yuf h VAL 104 Cb 0.29 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 2yuf h VAL 104 CO 0.02 0.00 -0.25 0.11 0.02 0.00 0.00 177.57 177.47 2yuf h LYS 105 N -0.72 -0.54 -4.16 1.57 1.79 -1.57 -3.36 116.57 109.58 2yuf h LYS 105 Ca -0.07 0.04 -0.75 0.00 -2.18 0.00 0.00 60.65 57.68 2yuf h LYS 105 Cb 0.57 0.12 -0.24 0.00 -1.58 0.00 0.00 32.23 31.10 2yuf h LYS 105 CO 0.10 -0.36 -0.26 -0.51 -1.08 0.00 0.00 179.45 177.34 2yuf s ASP 106 N -4.72 6.13 0.44 0.86 1.01 -0.88 -4.91 116.67 114.60 2yuf s ASP 106 Ca -0.16 -1.69 0.17 0.00 0.71 0.00 0.00 52.55 51.59 2yuf s ASP 106 Cb 0.06 -2.18 1.02 0.00 1.01 0.00 0.00 42.92 42.83 2yuf s ASP 106 CO 0.64 -0.79 1.96 -1.13 0.21 0.00 0.00 175.17 176.06 2yuf h ASN 107 N 8.82 0.00 0.19 0.27 -0.00 -1.71 -2.32 115.58 120.82 2yuf h ASN 107 Ca -0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 55.98 2yuf h ASN 107 Cb 1.10 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.42 2yuf h ASN 107 CO 0.98 0.23 -0.16 0.00 -0.00 0.00 0.00 177.43 178.48 2yuf h ALA 108 N 1.77 1.66 -0.14 1.57 0.00 -1.91 -2.12 119.26 120.10 2yuf h ALA 108 Ca -0.00 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2yuf h ALA 108 Cb 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2yuf h ALA 108 CO 0.03 0.20 0.11 -0.07 0.00 0.00 0.00 179.25 179.52 2yuf h LEU 109 N 0.00 0.00 -1.72 0.00 3.38 -1.73 -0.96 115.31 114.28 2yuf h LEU 109 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2yuf h LEU 109 Cb 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2yuf h LEU 109 CO 0.02 0.00 0.32 -0.07 0.09 0.00 0.00 178.44 178.80 2yuf h LEU 110 N 0.00 0.29 0.02 1.67 3.38 -1.54 -1.95 115.31 117.19 2yuf h LEU 110 Ca 0.06 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.73 2yuf h LEU 110 Cb 0.29 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 2yuf h LEU 110 CO -0.00 0.19 -1.77 0.35 0.09 0.00 0.00 178.44 177.29 2yuf n THR 111 N -4.47 1.64 -2.57 0.22 -2.24 -0.41 -4.80 114.28 101.65 2yuf n THR 111 Ca 0.07 -0.77 -0.43 0.00 -2.27 0.00 0.00 64.05 60.65 2yuf n THR 111 Cb 0.31 -1.15 -0.02 0.00 -2.10 0.00 0.00 70.33 67.37 2yuf n THR 111 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2yuf s ARG 112 N -2.59 3.76 -0.13 -0.78 0.52 -0.73 -4.88 118.95 114.12 2yuf s ARG 112 Ca -0.08 0.72 -0.10 0.00 -0.52 0.00 0.00 55.73 55.75 2yuf s ARG 112 Cb 0.08 -3.90 -0.25 0.00 0.52 0.00 0.00 34.95 31.40 2yuf s ARG 112 CO 0.82 -1.32 0.37 -0.09 0.02 0.00 0.00 175.30 175.09 2yuf h ARG 113 N 9.24 0.24 0.42 3.54 2.43 -1.87 -3.21 114.38 125.16 2yuf h ARG 113 Ca -0.23 -0.40 -0.02 0.00 -0.81 0.00 0.00 59.98 58.52 2yuf h ARG 113 Cb 1.07 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2yuf h ARG 113 CO 1.11 1.19 -0.24 -0.44 -1.51 0.00 0.00 179.97 180.07 2yuf h ASP 114 N -0.10 -0.60 0.23 -3.80 5.19 -1.95 0.92 116.42 116.30 2yuf h ASP 114 Ca -0.40 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.03 2yuf h ASP 114 Cb 1.92 0.18 -0.00 0.00 0.18 0.00 0.00 39.33 41.61 2yuf h ASP 114 CO 0.05 -0.39 -0.13 -0.08 -3.12 0.00 0.00 179.24 175.57 2yuf h GLU 115 N -0.63 -0.33 -0.20 3.56 4.81 -1.96 -1.84 114.58 118.00 2yuf h GLU 115 Ca -0.05 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 2yuf h GLU 115 Cb 0.51 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 2yuf h GLU 115 CO 0.06 -0.22 0.15 1.25 -0.73 0.00 0.00 179.01 179.52 2yuf h LEU 116 N -0.34 0.00 -0.58 1.64 5.85 -1.54 0.35 115.31 120.69 2yuf h LEU 116 Ca -0.03 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 2yuf h LEU 116 Cb 0.28 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2yuf h LEU 116 CO 0.03 0.00 -0.71 0.15 -0.34 0.00 0.00 178.44 177.58 2yuf h PHE 117 N 0.00 0.01 0.14 1.25 3.04 -0.17 -1.37 116.94 119.84 2yuf h PHE 117 Ca 0.09 -0.01 -0.33 0.00 3.98 0.00 0.00 57.97 61.70 2yuf h PHE 117 Cb 0.39 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 2yuf h PHE 117 CO 0.00 0.71 -1.74 0.00 -2.02 0.00 0.00 178.31 175.27 2yuf h ALA 118 N 1.28 0.27 -0.24 2.41 0.00 -0.23 -3.22 119.26 119.54 2yuf h ALA 118 Ca -0.01 -1.23 -0.06 0.00 0.00 0.00 0.00 54.91 53.61 2yuf h ALA 118 Cb 1.25 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 2yuf h ALA 118 CO 0.09 1.07 -0.09 -0.07 0.00 0.00 0.00 179.25 180.25 2yuf h LEU 119 N -0.07 0.49 0.19 0.00 3.38 -0.47 -2.26 115.31 116.56 2yuf h LEU 119 Ca -0.37 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.21 2yuf h LEU 119 Cb 1.95 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.56 2yuf h LEU 119 CO 0.09 0.77 -0.12 0.00 0.09 0.00 0.00 178.44 179.27 2yuf h ALA 120 N 0.73 -0.29 -0.03 1.53 0.00 -1.43 -2.21 119.26 117.57 2yuf h ALA 120 Ca 0.06 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2yuf h ALA 120 Cb 0.58 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2yuf h ALA 120 CO 0.03 -0.67 0.03 -0.09 0.00 0.00 0.00 179.25 178.55 2yuf h ARG 121 N -0.30 0.00 -0.36 0.00 2.43 -1.59 -1.36 114.38 113.20 2yuf h ARG 121 Ca -0.02 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2yuf h ARG 121 Cb 0.25 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2yuf h ARG 121 CO 0.02 0.00 0.24 0.37 -1.51 0.00 0.00 179.97 179.09 2yuf h GLN 122 N 0.00 0.32 0.04 0.20 4.15 -0.77 -1.52 115.11 117.53 2yuf h GLN 122 Ca 0.02 -0.02 -0.27 0.00 0.77 0.00 0.00 58.65 59.15 2yuf h GLN 122 Cb 0.07 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 2yuf h GLN 122 CO -0.00 0.21 -1.41 0.82 -1.93 0.00 0.00 178.83 176.52 2yuf h ILE 123 N 0.33 1.25 -0.11 2.39 2.04 -1.22 -3.29 117.51 118.89 2yuf h ILE 123 Ca 0.15 -2.98 -0.01 0.00 1.00 0.00 0.00 64.86 63.02 2yuf h ILE 123 Cb 0.19 2.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.95 2yuf h ILE 123 CO -0.03 0.77 0.04 -1.28 0.00 0.00 0.00 178.15 177.65 2yuf h SER 124 N 0.02 0.15 -0.12 1.72 0.87 -1.09 -1.75 113.55 113.35 2yuf h SER 124 Ca -0.18 -0.17 0.02 0.00 -1.23 0.00 0.00 61.79 60.23 2yuf h SER 124 Cb 1.93 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.85 2yuf h SER 124 CO 0.12 0.28 0.08 0.03 -0.53 0.00 0.00 176.83 176.82 2yuf h ARG 125 N 0.01 0.07 0.14 2.24 3.08 -1.45 0.40 114.38 118.87 2yuf h ARG 125 Ca 0.04 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2yuf h ARG 125 Cb 0.18 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2yuf h ARG 125 CO -0.00 0.05 -0.07 0.93 -1.07 0.00 0.00 179.97 179.81 2yuf h GLU 126 N 0.08 -0.18 -0.35 0.04 4.39 -1.54 -2.04 114.58 114.97 2yuf h GLU 126 Ca 0.05 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 2yuf h GLU 126 Cb 0.12 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2yuf h GLU 126 CO -0.01 0.27 -0.07 0.28 -1.16 0.00 0.00 179.01 178.32 2yuf h VAL 127 N -0.77 1.28 -0.95 3.13 2.07 -1.02 -2.86 116.25 117.13 2yuf h VAL 127 Ca -0.02 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.39 2yuf h VAL 127 Cb 0.54 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 2yuf h VAL 127 CO 0.03 0.37 0.63 0.74 0.02 0.00 0.00 177.57 179.36 2yuf h THR 128 N 0.46 1.23 0.78 2.57 2.02 -0.32 -3.01 112.91 116.65 2yuf h THR 128 Ca 0.09 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 2yuf h THR 128 Cb 0.57 -0.15 0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2yuf h THR 128 CO 0.03 0.23 -0.38 0.22 0.37 0.00 0.00 175.52 176.00 2yuf h TYR 129 N 1.27 -0.98 -3.51 3.16 3.20 -1.25 -3.39 116.97 115.48 2yuf h TYR 129 Ca 0.35 -0.02 -0.71 0.00 3.14 0.00 0.00 58.73 61.49 2yuf h TYR 129 Cb -0.12 0.32 -0.29 0.00 1.54 0.00 0.00 36.73 38.18 2yuf h TYR 129 CO -0.00 -0.61 -0.51 -1.59 -1.64 0.00 0.00 178.16 173.81 2yuf s LYS 130 N -6.02 2.52 0.00 1.82 -2.85 -1.09 -5.08 119.74 109.04 2yuf s LYS 130 Ca -0.18 -1.45 0.00 0.00 -1.00 0.00 0.00 55.97 53.34 2yuf s LYS 130 Cb 0.03 -3.67 0.00 0.00 -2.06 0.00 0.00 37.83 32.13 2yuf s LYS 130 CO 0.61 -0.90 0.00 0.98 0.10 0.00 0.00 175.35 176.14 2yuf n TYR 131 N 4.84 -2.95 -2.61 1.78 9.36 -1.24 -4.69 117.16 121.66 2yuf n TYR 131 Ca -0.10 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.75 2yuf n TYR 131 Cb 0.43 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.09 2yuf n TYR 131 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2yuf s THR 132 N 0.93 3.82 0.16 2.97 -4.23 -1.26 -5.06 115.64 112.97 2yuf s THR 132 Ca 0.00 1.57 0.06 0.00 -1.18 0.00 0.00 61.69 62.14 2yuf s THR 132 Cb 0.00 -3.90 -0.04 0.00 1.34 0.00 0.00 72.50 69.90 2yuf s THR 132 CO 0.00 0.18 0.07 -0.31 -0.54 0.00 0.00 174.62 174.02 2yuf s TYR 133 N -1.47 3.01 0.09 3.99 2.02 -1.26 -5.13 117.35 118.59 2yuf s TYR 133 Ca 0.51 -0.07 0.07 0.00 -0.37 0.00 0.00 57.07 57.21 2yuf s TYR 133 Cb -0.24 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.82 2yuf s TYR 133 CO 0.30 0.52 -0.12 0.50 -1.57 0.00 0.00 175.55 175.18 2yuf s ARG 134 N -2.96 2.08 -0.30 -0.62 6.06 -1.26 -5.11 118.95 116.84 2yuf s ARG 134 Ca 0.29 -1.03 -0.08 0.00 -2.50 0.00 0.00 55.73 52.41 2yuf s ARG 134 Cb -0.10 -2.27 -0.00 0.00 0.06 0.00 0.00 34.95 32.64 2yuf s ARG 134 CO 0.21 0.51 0.12 0.95 -2.50 0.00 0.00 175.30 174.59 2yuf s THR 135 N -1.14 4.35 -0.23 4.11 -4.23 -1.26 -5.05 115.64 112.18 2yuf s THR 135 Ca 0.19 -0.48 -0.03 0.00 -1.18 0.00 0.00 61.69 60.19 2yuf s THR 135 Cb -0.11 -3.20 0.12 0.00 1.34 0.00 0.00 72.50 70.65 2yuf s THR 135 CO 0.11 0.10 0.32 0.28 -0.54 0.00 0.00 174.62 174.90 2yuf s THR 136 N 1.57 -0.50 -0.04 3.99 -1.32 -1.26 -4.66 115.64 113.42 2yuf s THR 136 Ca 0.04 -0.11 0.17 0.00 -1.21 0.00 0.00 61.69 60.58 2yuf s THR 136 Cb -0.17 -0.78 0.31 0.00 -1.51 0.00 0.00 72.50 70.35 2yuf s THR 136 CO 0.05 -0.17 1.13 -1.20 -2.21 0.00 0.00 174.62 172.21 2yuf n SER 137 N 5.35 0.32 -3.79 8.08 7.64 -1.26 -5.09 113.62 124.86 2yuf n SER 137 Ca -0.04 -2.01 -0.13 0.00 1.01 0.00 0.00 58.87 57.70 2yuf n SER 137 Cb 0.50 -0.08 -0.10 0.00 -1.01 0.00 0.00 64.21 63.52 2yuf n SER 137 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yuf s GLY 138 N -1.82 -0.13 0.24 0.23 0.00 -1.25 -5.05 107.32 99.54 2yuf s GLY 138 Ca 0.22 0.37 0.07 0.00 0.00 0.00 0.00 44.72 45.38 2yuf s GLY 138 CO -0.10 0.21 1.55 -0.56 0.00 0.00 0.00 173.10 174.19 2yuf h PRO 139 N 4.48 0.09 0.00 2.90 0.13 -1.99 -3.38 132.00 134.23 2yuf h PRO 139 Ca -0.29 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2yuf h PRO 139 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2yuf h PRO 139 CO 0.38 0.73 0.00 -1.13 -0.23 0.00 0.00 178.00 177.74 2yuf n SER 140 N -3.78 0.00 -4.91 1.44 3.41 -1.26 -5.00 113.62 103.52 2yuf n SER 140 Ca -0.02 0.26 -0.24 0.00 -0.26 0.00 0.00 58.87 58.61 2yuf n SER 140 Cb 0.66 -0.23 -0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2yuf n SER 140 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yuf s SER 141 N -1.94 4.76 0.00 4.04 1.04 -1.26 -5.20 113.70 115.15 2yuf s SER 141 Ca 0.00 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.33 2yuf s SER 141 Cb 0.00 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2yuf s SER 141 CO 0.00 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.79