#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuf n SER 2 N 0.00 3.37 -4.84 1.61 7.64 -1.26 -5.04 113.62 115.10 2yuf n SER 2 Ca 0.00 -0.02 -0.32 0.00 1.01 0.00 0.00 58.87 59.54 2yuf n SER 2 Cb 0.00 -0.08 -0.05 0.00 -1.01 0.00 0.00 64.21 63.08 2yuf n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yuf s SER 3 N -4.52 6.73 0.00 6.43 0.15 -1.26 -4.70 113.70 116.53 2yuf s SER 3 Ca -0.06 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.16 2yuf s SER 3 Cb 0.02 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2yuf s SER 3 CO 0.10 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.67 2yuf n GLY 4 N -1.21 0.87 2.19 9.45 0.00 -1.26 -4.94 105.19 110.28 2yuf n GLY 4 Ca 0.06 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 2yuf n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yuf n SER 5 N 0.00 4.38 -4.03 1.61 2.88 -1.26 -4.91 113.62 112.30 2yuf n SER 5 Ca 0.00 -3.56 -0.19 0.00 -1.33 0.00 0.00 58.87 53.79 2yuf n SER 5 Cb 0.00 -0.85 -0.15 0.00 -0.75 0.00 0.00 64.21 62.46 2yuf n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yuf s SER 6 N -1.25 1.09 0.00 -3.46 0.15 -1.26 -5.02 113.70 103.95 2yuf s SER 6 Ca 0.55 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2yuf s SER 6 Cb 0.46 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2yuf s SER 6 CO 0.08 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.25 2yuf n GLY 7 N 2.86 -0.31 3.81 9.45 0.00 -1.26 -5.08 105.19 114.66 2yuf n GLY 7 Ca -0.13 0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2yuf n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yuf s GLU 8 N -1.91 3.13 -0.12 1.61 2.56 -1.26 -5.02 118.70 117.69 2yuf s GLU 8 Ca 0.00 1.12 -0.07 0.00 0.00 0.00 0.00 54.97 56.02 2yuf s GLU 8 Cb 0.00 -2.01 -0.02 0.00 2.00 0.00 0.00 34.13 34.10 2yuf s GLU 8 CO 0.00 -0.96 -0.13 0.00 -0.56 0.00 0.00 175.26 173.61 2yuf h ALA 9 N -0.03 0.00 -2.07 6.30 0.00 -2.00 -3.48 119.26 117.98 2yuf h ALA 9 Ca -0.46 -0.41 -0.41 0.00 0.00 0.00 0.00 54.91 53.64 2yuf h ALA 9 Cb 1.22 0.38 0.20 0.00 0.00 0.00 0.00 17.79 19.59 2yuf h ALA 9 CO 0.57 0.38 0.02 -0.51 0.00 0.00 0.00 179.25 179.71 2yuf s LEU 10 N -7.88 0.16 0.00 0.00 1.43 -1.26 -5.05 118.68 106.08 2yuf s LEU 10 Ca -0.11 0.95 -0.03 0.00 -1.03 0.00 0.00 54.13 53.90 2yuf s LEU 10 Cb 0.02 -2.66 0.05 0.00 0.03 0.00 0.00 46.19 43.63 2yuf s LEU 10 CO 0.16 -4.49 0.32 -0.67 0.23 0.00 0.00 176.35 171.91 2yuf n ASP 11 N -5.05 0.09 0.06 2.29 2.03 -1.26 -4.87 116.55 109.84 2yuf n ASP 11 Ca 0.10 -1.16 -0.13 0.00 0.52 0.00 0.00 54.79 54.12 2yuf n ASP 11 Cb 0.58 -0.24 -0.04 0.00 -0.72 0.00 0.00 41.12 40.71 2yuf n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2yuf h ALA 12 N -1.65 0.40 0.02 -1.67 0.00 -2.01 -3.04 119.26 111.31 2yuf h ALA 12 Ca -0.10 -0.69 -0.27 0.00 0.00 0.00 0.00 54.91 53.84 2yuf h ALA 12 Cb 0.30 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2yuf h ALA 12 CO 0.08 0.81 -1.45 0.00 0.00 0.00 0.00 179.25 178.68 2yuf h ALA 13 N 0.76 0.55 0.05 0.00 0.00 -1.99 -3.28 119.26 115.35 2yuf h ALA 13 Ca -0.07 -1.23 -0.00 0.00 0.00 0.00 0.00 54.91 53.61 2yuf h ALA 13 Cb 1.53 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2yuf h ALA 13 CO 0.16 1.40 -0.02 0.00 0.00 0.00 0.00 179.25 180.79 2yuf h ALA 14 N 0.90 -0.06 -0.86 0.00 0.00 -1.94 0.10 119.26 117.40 2yuf h ALA 14 Ca -0.19 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2yuf h ALA 14 Cb 1.93 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.70 2yuf h ALA 14 CO 0.11 -0.51 0.57 0.00 0.00 0.00 0.00 179.25 179.42 2yuf h ALA 15 N 0.84 1.09 -0.07 0.00 0.00 -1.68 -1.95 119.26 117.48 2yuf h ALA 15 Ca -0.01 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2yuf h ALA 15 Cb 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2yuf h ALA 15 CO 0.01 0.48 -0.42 -0.07 0.00 0.00 0.00 179.25 179.25 2yuf h LEU 16 N 1.15 0.17 -1.42 0.00 3.38 -1.57 -2.77 115.31 114.26 2yuf h LEU 16 Ca 0.32 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 2yuf h LEU 16 Cb -0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2yuf h LEU 16 CO -0.07 0.58 -0.20 -1.28 0.09 0.00 0.00 178.44 177.56 2yuf h SER 17 N 0.13 0.13 -0.12 -0.43 0.87 -0.02 -2.19 113.55 111.91 2yuf h SER 17 Ca 0.01 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.48 2yuf h SER 17 Cb 0.81 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.73 2yuf h SER 17 CO 0.06 0.34 -0.17 0.58 -0.53 0.00 0.00 176.83 177.11 2yuf h VAL 18 N 0.13 1.37 -0.09 2.23 2.07 -1.18 -1.00 116.25 119.77 2yuf h VAL 18 Ca 0.02 -1.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.12 2yuf h VAL 18 Cb 0.43 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 2yuf h VAL 18 CO 0.03 0.40 -0.12 0.00 0.02 0.00 0.00 177.57 177.90 2yuf h ALA 19 N 0.57 1.64 0.05 1.67 0.00 -1.45 0.57 119.26 122.30 2yuf h ALA 19 Ca 0.01 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.53 2yuf h ALA 19 Cb 0.73 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2yuf h ALA 19 CO 0.04 0.27 -1.08 0.93 0.00 0.00 0.00 179.25 179.41 2yuf h GLU 20 N 0.13 0.11 0.12 0.00 5.08 -1.34 -3.07 114.58 115.61 2yuf h GLU 20 Ca 0.03 -0.17 -0.21 0.00 -1.00 0.00 0.00 59.36 58.00 2yuf h GLU 20 Cb 0.30 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.62 2yuf h GLU 20 CO 0.02 1.07 -1.01 0.00 -1.00 0.00 0.00 179.01 178.09 2yuf h VAL 22 N -0.39 0.97 0.00 0.00 3.04 0.00 0.11 116.25 119.99 2yuf h VAL 22 Ca -0.20 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 2yuf h VAL 22 Cb 1.66 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.86 2yuf h VAL 22 CO 0.11 0.01 -0.52 -0.33 -1.01 0.00 0.00 177.57 175.82 2yuf h GLU 23 N 0.05 0.00 0.00 4.17 4.39 -1.63 -2.72 114.58 118.84 2yuf h GLU 23 Ca 0.05 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.53 2yuf h GLU 23 Cb 0.13 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 2yuf h GLU 23 CO -0.00 0.00 -1.44 0.00 -1.16 0.00 0.00 179.01 176.40 2yuf h ARG 24 N 0.00 0.00 0.00 2.33 3.08 -0.91 -3.36 114.38 115.52 2yuf h ARG 24 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 2yuf h ARG 24 Cb 0.99 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.00 2yuf h ARG 24 CO 0.00 0.44 -1.39 0.00 -1.07 0.00 0.00 179.97 177.95 2yuf h MET 25 N 0.00 0.00 0.11 0.04 -0.00 -0.95 -3.38 114.93 110.75 2yuf h MET 25 Ca -0.19 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.52 2yuf h MET 25 Cb 1.76 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.34 2yuf h MET 25 CO 0.07 0.44 -0.17 0.00 -0.00 0.00 0.00 176.91 177.25 2yuf h ALA 26 N 1.24 -0.30 -0.76 -3.00 0.00 -1.63 0.80 119.26 115.62 2yuf h ALA 26 Ca -0.18 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.83 2yuf h ALA 26 Cb 1.73 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 19.71 2yuf h ALA 26 CO 0.07 -0.70 0.34 -1.35 0.00 0.00 0.00 179.25 177.61 2yuf h PRO 27 N -0.34 0.51 0.00 0.00 0.11 -1.74 -1.16 132.00 129.39 2yuf h PRO 27 Ca 0.02 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.95 2yuf h PRO 27 Cb 0.35 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 2yuf h PRO 27 CO -0.09 0.34 -0.73 0.00 -0.21 0.00 0.00 178.00 177.31 2yuf h THR 28 N 0.53 1.18 -2.20 -1.15 1.03 -1.66 -3.45 112.91 107.18 2yuf h THR 28 Ca 0.40 -2.68 -0.59 0.00 -0.01 0.00 0.00 66.41 63.54 2yuf h THR 28 Cb 0.55 2.58 0.03 0.00 -1.07 0.00 0.00 68.15 70.24 2yuf h THR 28 CO -0.35 0.67 1.02 0.18 -0.01 0.00 0.00 175.52 177.03 2yuf n LEU 29 N -3.26 3.48 -4.17 0.00 4.77 0.28 -4.95 117.00 113.15 2yuf n LEU 29 Ca 0.01 1.00 -0.25 0.00 -0.03 0.00 0.00 56.01 56.74 2yuf n LEU 29 Cb 0.82 -1.43 0.20 0.00 -2.33 0.00 0.00 43.42 40.69 2yuf n LEU 29 CO 0.43 -0.07 0.01 -2.65 -1.33 0.00 0.00 177.39 173.78 2yuf n PRO 30 N 5.55 -2.82 -2.21 3.23 -0.02 -1.26 -4.95 135.00 132.52 2yuf n PRO 30 Ca 0.20 -0.83 -0.28 0.00 -2.02 0.00 0.00 63.50 60.57 2yuf n PRO 30 Cb 0.31 -1.71 0.03 0.00 -0.02 0.00 0.00 33.50 32.11 2yuf n PRO 30 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2yuf s LYS 31 N -3.95 3.10 -0.06 -0.52 -0.14 -1.26 -5.09 119.74 111.82 2yuf s LYS 31 Ca 0.52 0.27 0.04 0.00 -1.36 0.00 0.00 55.97 55.44 2yuf s LYS 31 Cb -0.11 -2.19 -0.00 0.00 -1.68 0.00 0.00 37.83 33.85 2yuf s LYS 31 CO 0.50 -0.70 -0.19 -1.12 -0.76 0.00 0.00 175.35 173.09 2yuf s SER 32 N -4.27 2.40 -0.54 2.83 0.01 -1.26 -5.10 113.70 107.77 2yuf s SER 32 Ca 0.54 -0.41 -0.18 0.00 1.31 0.00 0.00 55.95 57.21 2yuf s SER 32 Cb -0.11 -0.85 0.09 0.00 0.21 0.00 0.00 66.02 65.37 2yuf s SER 32 CO 0.48 0.14 0.62 -0.62 0.41 0.00 0.00 173.24 174.28 2yuf s ASP 33 N 0.20 6.19 0.43 2.44 2.15 -1.26 -4.91 116.67 121.92 2yuf s ASP 33 Ca -0.09 -1.28 0.15 0.00 0.43 0.00 0.00 52.55 51.76 2yuf s ASP 33 Cb -0.14 -2.28 0.96 0.00 -0.30 0.00 0.00 42.92 41.17 2yuf s ASP 33 CO 0.04 -0.96 1.95 -0.07 -0.17 0.00 0.00 175.17 175.96 2yuf h LEU 34 N 9.64 0.00 -0.56 -1.34 3.38 -1.99 -2.26 115.31 122.18 2yuf h LEU 34 Ca -0.29 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.53 2yuf h LEU 34 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2yuf h LEU 34 CO 1.02 0.23 -0.72 -1.13 0.09 0.00 0.00 178.44 177.94 2yuf h ASN 35 N 0.00 0.03 0.53 -0.43 -0.00 -1.99 -0.76 115.58 112.95 2yuf h ASN 35 Ca -0.00 -0.02 -0.19 0.00 -0.00 0.00 0.00 56.30 56.09 2yuf h ASN 35 Cb 0.42 -0.01 -0.01 0.00 -0.00 0.00 0.00 38.32 38.72 2yuf h ASN 35 CO 0.03 0.73 -0.81 -0.08 -0.00 0.00 0.00 177.43 177.30 2yuf h GLU 36 N 0.02 0.21 0.00 6.67 4.81 -1.83 -3.22 114.58 121.23 2yuf h GLU 36 Ca -0.01 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 58.90 2yuf h GLU 36 Cb 1.27 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 2yuf h GLU 36 CO 0.09 0.91 -1.00 -0.39 -0.73 0.00 0.00 179.01 177.90 2yuf h VAL 37 N 0.13 0.52 0.62 0.32 -1.51 -1.42 -3.34 116.25 111.56 2yuf h VAL 37 Ca -0.04 -1.87 -0.02 0.00 -1.23 0.00 0.00 66.70 63.54 2yuf h VAL 37 Cb 1.41 2.08 -0.01 0.00 -2.13 0.00 0.00 31.29 32.64 2yuf h VAL 37 CO 0.12 0.29 -0.41 0.11 -1.23 0.00 0.00 177.57 176.46 2yuf h LYS 38 N 0.00 -0.95 -0.66 5.19 1.57 -1.14 -2.40 116.57 118.18 2yuf h LYS 38 Ca -0.08 0.06 0.12 0.00 -1.87 0.00 0.00 60.65 58.88 2yuf h LYS 38 Cb 1.41 0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.89 2yuf h LYS 38 CO 0.04 -0.63 0.44 0.93 -0.57 0.00 0.00 179.45 179.66 2yuf h GLU 39 N -0.99 0.39 -0.02 3.15 3.07 -1.73 0.74 114.58 119.19 2yuf h GLU 39 Ca -0.08 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 2yuf h GLU 39 Cb 0.81 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.63 2yuf h GLU 39 CO 0.06 0.26 -0.05 -0.07 -1.40 0.00 0.00 179.01 177.81 2yuf h LEU 40 N 0.40 0.02 0.17 1.33 3.38 -1.56 -2.31 115.31 116.74 2yuf h LEU 40 Ca 0.31 -0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.98 2yuf h LEU 40 Cb 0.68 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.45 2yuf h LEU 40 CO -0.09 0.08 -1.34 -0.07 0.09 0.00 0.00 178.44 177.11 2yuf h LEU 41 N 0.03 0.70 -2.14 1.67 3.38 -0.54 -3.05 115.31 115.36 2yuf h LEU 41 Ca 0.01 -0.72 0.04 0.00 0.09 0.00 0.00 57.88 57.29 2yuf h LEU 41 Cb 0.11 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2yuf h LEU 41 CO 0.01 1.55 0.10 0.11 0.09 0.00 0.00 178.44 180.30 2yuf h LYS 42 N 0.15 0.00 0.07 1.13 6.56 -1.06 -1.30 116.57 122.12 2yuf h LYS 42 Ca -0.20 0.00 -0.27 0.00 -1.06 0.00 0.00 60.65 59.12 2yuf h LYS 42 Cb 2.03 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.67 2yuf h LYS 42 CO 0.24 0.00 -1.37 1.79 -2.06 0.00 0.00 179.45 178.05 2yuf h THR 43 N 0.00 1.31 -3.29 -0.16 1.35 -1.54 -3.47 112.91 107.12 2yuf h THR 43 Ca 0.06 -3.00 -0.46 0.00 -0.55 0.00 0.00 66.41 62.47 2yuf h THR 43 Cb 0.26 2.75 0.11 0.00 -1.73 0.00 0.00 68.15 69.55 2yuf h THR 43 CO -0.00 0.82 0.26 0.20 -0.25 0.00 0.00 175.52 176.55 2yuf s ASN 44 N -6.78 3.97 0.00 5.36 -0.87 -0.49 -5.05 114.94 111.08 2yuf s ASN 44 Ca -0.05 0.09 0.00 0.00 -1.57 0.00 0.00 52.86 51.33 2yuf s ASN 44 Cb 0.08 -0.40 0.00 0.00 -0.02 0.00 0.00 41.25 40.91 2yuf s ASN 44 CO 0.84 -2.15 0.00 2.29 -2.57 0.00 0.00 177.10 175.52 2yuf n LYS 45 N -3.23 0.00 0.07 -0.60 -0.00 -1.26 -4.69 118.16 108.46 2yuf n LYS 45 Ca 0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.32 2yuf n LYS 45 Cb 0.60 -0.34 -0.08 0.00 -0.00 0.00 0.00 35.03 35.20 2yuf n LYS 45 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2yuf h LYS 46 N 0.00 -0.22 -0.19 -1.58 3.64 -1.96 -1.63 116.57 114.63 2yuf h LYS 46 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2yuf h LYS 46 Cb 0.35 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2yuf h LYS 46 CO 0.00 0.18 0.12 -0.07 -2.27 0.00 0.00 179.45 177.41 2yuf h LEU 47 N -0.70 0.21 -0.50 5.20 3.38 -1.95 0.53 115.31 121.49 2yuf h LEU 47 Ca -0.02 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 2yuf h LEU 47 Cb 0.50 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2yuf h LEU 47 CO 0.04 0.16 -0.53 0.00 0.09 0.00 0.00 178.44 178.20 2yuf h ALA 48 N 1.88 0.80 0.00 1.53 0.00 -1.81 -1.43 119.26 120.23 2yuf h ALA 48 Ca 0.07 -0.48 -0.26 0.00 0.00 0.00 0.00 54.91 54.24 2yuf h ALA 48 Cb -0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2yuf h ALA 48 CO -0.01 0.66 -1.70 1.17 0.00 0.00 0.00 179.25 179.36 2yuf n LYS 49 N -3.44 0.63 -0.02 0.00 4.81 -0.39 -2.64 118.16 117.12 2yuf n LYS 49 Ca 0.00 0.25 -0.00 0.00 -0.87 0.00 0.00 58.31 57.69 2yuf n LYS 49 Cb 0.65 -1.77 -0.00 0.00 0.02 0.00 0.00 35.03 33.93 2yuf n LYS 49 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 2yuf h MET 50 N 0.00 0.00 -0.49 1.64 4.05 -0.03 -3.42 114.93 116.68 2yuf h MET 50 Ca -0.28 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 58.78 2yuf h MET 50 Cb 1.92 0.00 -0.31 0.00 -0.80 0.00 0.00 31.60 32.41 2yuf h MET 50 CO 0.07 0.00 -0.76 0.44 0.23 0.00 0.00 176.91 176.89 2yuf n ILE 51 N -2.96 2.27 -0.09 1.77 -5.35 -0.73 -4.74 119.36 109.54 2yuf n ILE 51 Ca -0.00 -3.75 -0.21 0.00 -0.27 0.00 0.00 62.75 58.52 2yuf n ILE 51 Cb 0.00 -0.64 -0.12 0.00 -1.74 0.00 0.00 39.64 37.14 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 -0.78 -0.46 0.26 3.28 0.00 -0.62 -4.28 105.19 102.59 2yuf n GLY 52 Ca 0.33 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.17 0.00 -0.24 1.61 2.07 -1.84 -1.50 115.15 115.08 2yuf h HIS 53 Ca -0.53 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 56.92 2yuf h HIS 53 Cb 1.87 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.83 2yuf h HIS 53 CO 0.03 0.04 -0.15 0.82 -3.07 0.00 0.00 177.93 175.60 2yuf h ILE 54 N 0.00 1.22 0.25 6.12 2.04 -1.90 -0.89 117.51 124.35 2yuf h ILE 54 Ca -0.00 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 2yuf h ILE 54 Cb 0.07 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2yuf h ILE 54 CO 0.00 0.31 -0.12 -0.26 0.00 0.00 0.00 178.15 178.09 2yuf h PHE 55 N 0.37 -0.31 0.00 1.37 0.04 -1.45 -3.02 116.94 113.93 2yuf h PHE 55 Ca 0.07 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.78 2yuf h PHE 55 Cb 0.48 0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 2yuf h PHE 55 CO 0.01 -0.02 -0.24 0.93 -0.60 0.00 0.00 178.31 178.40 2yuf h GLU 56 N -0.61 0.00 -6.91 1.51 4.39 -1.50 -3.44 114.58 108.01 2yuf h GLU 56 Ca -0.03 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.26 2yuf h GLU 56 Cb 0.44 0.00 0.22 0.00 -0.10 0.00 0.00 28.75 29.30 2yuf h GLU 56 CO 0.06 0.24 -0.28 -0.12 -1.16 0.00 0.00 179.01 177.75 2yuf n MET 57 N -4.02 -3.02 -1.99 2.33 1.56 -0.35 -4.94 117.12 106.69 2yuf n MET 57 Ca -0.02 -0.87 -0.35 0.00 -0.27 0.00 0.00 57.70 56.19 2yuf n MET 57 Cb 0.31 -1.96 0.03 0.00 2.15 0.00 0.00 33.22 33.75 2yuf n MET 57 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 2yuf s ASN 58 N -2.42 5.22 0.24 6.12 3.84 -1.26 -4.94 114.94 121.74 2yuf s ASN 58 Ca 0.64 2.29 0.07 0.00 0.21 0.00 0.00 52.86 56.06 2yuf s ASN 58 Cb -0.19 -2.59 0.27 0.00 -0.55 0.00 0.00 41.25 38.19 2yuf s ASN 58 CO 0.61 -1.57 1.56 -0.78 -2.79 0.00 0.00 177.10 174.14 2yuf h ASP 59 N 0.76 0.16 -2.17 -4.21 3.58 -1.92 -3.34 116.42 109.29 2yuf h ASP 59 Ca -0.50 -0.10 -0.58 0.00 0.42 0.00 0.00 57.03 56.28 2yuf h ASP 59 Cb 1.28 -0.05 -0.41 0.00 1.72 0.00 0.00 39.33 41.87 2yuf h ASP 59 CO 0.55 0.75 -0.76 -0.90 -2.88 0.00 0.00 179.24 176.00 2yuf n ASP 60 N -3.83 3.06 -4.75 2.28 5.68 -1.26 -5.08 116.55 112.65 2yuf n ASP 60 Ca -0.02 -3.35 -0.32 0.00 -0.50 0.00 0.00 54.79 50.60 2yuf n ASP 60 Cb 0.63 -0.63 -0.07 0.00 -1.14 0.00 0.00 41.12 39.92 2yuf n ASP 60 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2yuf s ASP 61 N -2.57 5.48 0.28 -1.12 2.15 -1.25 -5.02 116.67 114.61 2yuf s ASP 61 Ca 0.42 0.05 0.06 0.00 0.43 0.00 0.00 52.55 53.51 2yuf s ASP 61 Cb 0.22 -1.50 0.39 0.00 -0.30 0.00 0.00 42.92 41.72 2yuf s ASP 61 CO -0.07 0.24 1.65 1.55 -0.17 0.00 0.00 175.17 178.37 2yuf h PRO 62 N 3.88 0.23 0.00 4.34 0.13 -1.98 -2.97 132.00 135.63 2yuf h PRO 62 Ca -0.48 -0.13 -0.11 0.00 -0.87 0.00 0.00 66.00 64.41 2yuf h PRO 62 Cb 1.17 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2yuf h PRO 62 CO 0.62 0.67 -0.51 0.45 -0.23 0.00 0.00 178.00 179.00 2yuf h HIS 63 N 0.19 0.00 -0.77 1.56 3.86 -2.00 -3.19 115.15 114.80 2yuf h HIS 63 Ca 0.01 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.32 2yuf h HIS 63 Cb 0.91 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.33 2yuf h HIS 63 CO 0.02 0.51 0.51 0.87 0.86 0.00 0.00 177.93 180.69 2yuf h LYS 64 N 0.00 0.68 -0.05 2.45 1.57 -1.89 0.29 116.57 119.61 2yuf h LYS 64 Ca -0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2yuf h LYS 64 Cb 1.16 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 2yuf h LYS 64 CO 0.07 0.45 0.00 0.93 -0.57 0.00 0.00 179.45 180.33 2yuf h GLU 65 N 0.70 0.07 0.06 3.15 5.08 -1.66 0.28 114.58 122.26 2yuf h GLU 65 Ca 0.36 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.43 2yuf h GLU 65 Cb 0.45 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2yuf h GLU 65 CO -0.13 0.08 -1.41 0.93 -1.00 0.00 0.00 179.01 177.47 2yuf h GLU 66 N 0.07 0.13 -0.11 2.33 5.08 -1.15 -2.47 114.58 118.46 2yuf h GLU 66 Ca 0.02 -0.22 -0.16 0.00 -1.00 0.00 0.00 59.36 58.00 2yuf h GLU 66 Cb 0.05 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2yuf h GLU 66 CO 0.00 0.96 -0.60 0.93 -1.00 0.00 0.00 179.01 179.30 2yuf h GLU 67 N 0.04 0.38 0.11 2.33 4.39 -0.60 -2.56 114.58 118.66 2yuf h GLU 67 Ca -0.18 -0.25 -0.16 0.00 0.34 0.00 0.00 59.36 59.10 2yuf h GLU 67 Cb 1.95 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 30.65 2yuf h GLU 67 CO 0.14 0.86 -0.72 0.82 -1.16 0.00 0.00 179.01 178.95 2yuf h ILE 68 N 0.28 1.52 -0.09 3.13 2.04 -1.08 -3.24 117.51 120.08 2yuf h ILE 68 Ca -0.00 -2.48 0.02 0.00 1.00 0.00 0.00 64.86 63.40 2yuf h ILE 68 Cb 1.12 3.18 -0.00 0.00 -0.74 0.00 0.00 36.82 40.38 2yuf h ILE 68 CO 0.10 0.69 0.06 0.03 0.00 0.00 0.00 178.15 179.03 2yuf h ARG 69 N -0.50 0.00 -0.12 2.37 3.08 -1.50 0.87 114.38 118.57 2yuf h ARG 69 Ca -0.13 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 2yuf h ARG 69 Cb 1.52 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.57 2yuf h ARG 69 CO 0.11 0.00 -0.06 -0.22 -1.07 0.00 0.00 179.97 178.73 2yuf h LYS 70 N 0.00 0.26 0.00 0.04 3.64 -1.54 -3.22 116.57 115.75 2yuf h LYS 70 Ca 0.04 -0.11 -0.16 0.00 -1.27 0.00 0.00 60.65 59.15 2yuf h LYS 70 Cb 0.17 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 2yuf h LYS 70 CO -0.00 0.60 -0.86 1.88 -2.27 0.00 0.00 179.45 178.80 2yuf h TYR 71 N -0.09 0.00 -0.34 1.91 0.05 -1.44 -3.43 116.97 113.63 2yuf h TYR 71 Ca 0.03 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.73 2yuf h TYR 71 Cb 0.52 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 2yuf h TYR 71 CO 0.07 0.72 0.38 -1.13 -1.05 0.00 0.00 178.16 177.14 2yuf n SER 72 N -3.22 1.35 -3.52 3.88 3.41 0.30 -4.76 113.62 111.06 2yuf n SER 72 Ca -0.01 -1.31 0.02 0.00 -0.26 0.00 0.00 58.87 57.30 2yuf n SER 72 Cb 0.84 -1.50 -0.06 0.00 -0.26 0.00 0.00 64.21 63.24 2yuf n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yuf s ALA 73 N 12.63 -2.73 -0.11 7.33 0.00 -1.26 -4.84 121.76 132.78 2yuf s ALA 73 Ca 0.99 1.99 0.06 0.00 0.00 0.00 0.00 51.96 55.00 2yuf s ALA 73 Cb -0.24 -2.01 -0.10 0.00 0.00 0.00 0.00 23.12 20.77 2yuf s ALA 73 CO 0.16 -0.53 -0.02 -0.89 0.00 0.00 0.00 175.76 174.48 2yuf n ILE 74 N 3.72 0.68 -5.21 0.00 5.41 -1.26 -5.00 119.36 117.71 2yuf n ILE 74 Ca -0.14 -0.35 -0.32 0.00 1.00 0.00 0.00 62.75 62.94 2yuf n ILE 74 Cb 0.56 -0.82 -0.16 0.00 -0.71 0.00 0.00 39.64 38.51 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 -2.24 2.48 0.13 1.39 2.02 -1.26 -5.06 117.35 114.82 2yuf s TYR 75 Ca -0.09 -0.68 0.00 0.00 -0.37 0.00 0.00 57.07 55.92 2yuf s TYR 75 Cb 0.03 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.98 2yuf s TYR 75 CO 0.35 -0.19 0.00 0.41 -1.57 0.00 0.00 175.55 174.55 2yuf n GLY 76 N 2.95 -1.96 0.00 0.71 0.00 -1.26 -4.99 105.19 100.63 2yuf n GLY 76 Ca -0.17 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2yuf n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2yuf n ARG 77 N -2.26 0.24 -0.09 1.61 0.63 -1.26 -5.02 116.66 110.51 2yuf n ARG 77 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 2yuf n ARG 77 Cb 0.26 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.04 2yuf n ARG 77 CO 0.00 0.00 0.00 1.97 -2.51 0.00 0.00 177.63 177.09 2yuf n PHE 78 N 0.00 0.00 -2.78 -0.14 -1.74 -1.26 -4.92 117.46 106.62 2yuf n PHE 78 Ca 0.00 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.47 2yuf n PHE 78 Cb 0.00 -0.84 -0.03 0.00 1.52 0.00 0.00 39.48 40.13 2yuf n PHE 78 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2yuf s ASP 79 N -5.24 6.94 -0.38 5.98 1.01 -1.26 -4.97 116.67 118.74 2yuf s ASP 79 Ca -0.12 1.15 -0.27 0.00 0.71 0.00 0.00 52.55 54.02 2yuf s ASP 79 Cb 0.05 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 2yuf s ASP 79 CO 0.67 -0.61 2.05 -0.44 0.21 0.00 0.00 175.17 177.05 2yuf s SER 80 N 1.32 5.35 0.36 0.27 0.01 -1.26 -4.92 113.70 114.82 2yuf s SER 80 Ca 0.39 1.24 0.06 0.00 1.31 0.00 0.00 55.95 58.95 2yuf s SER 80 Cb -0.15 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 2yuf s SER 80 CO 0.08 -2.15 0.22 0.29 0.41 0.00 0.00 173.24 172.09 2yuf n LYS 81 N 8.78 0.47 -1.43 12.44 5.02 -1.26 -5.08 118.16 137.10 2yuf n LYS 81 Ca 0.27 -3.31 0.19 0.00 -2.02 0.00 0.00 58.31 53.44 2yuf n LYS 81 Cb 0.49 2.34 -0.05 0.00 -0.02 0.00 0.00 35.03 37.79 2yuf n LYS 81 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2yuf n ARG 82 N -0.74 -2.87 -1.63 1.97 1.74 -1.26 -4.09 116.66 109.78 2yuf n ARG 82 Ca 0.02 1.89 -0.43 0.00 -0.77 0.00 0.00 57.85 58.57 2yuf n ARG 82 Cb 0.60 -3.50 -0.03 0.00 -1.02 0.00 0.00 32.46 28.50 2yuf n ARG 82 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2yuf s LYS 83 N -2.21 3.36 0.00 5.56 2.20 -1.26 -4.25 119.74 123.14 2yuf s LYS 83 Ca 0.00 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.75 2yuf s LYS 83 Cb 0.00 -4.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.00 2yuf s LYS 83 CO 0.00 -1.85 0.00 -0.25 -0.36 0.00 0.00 175.35 172.89 2yuf n ASP 84 N 10.75 0.00 0.00 1.43 8.00 -1.26 -4.35 116.55 131.12 2yuf n ASP 84 Ca 0.27 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.77 2yuf n ASP 84 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2yuf n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2yuf n GLY 85 N 0.00 0.95 2.58 0.44 0.00 -1.26 -4.65 105.19 103.25 2yuf n GLY 85 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2yuf n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yuf n LYS 86 N 0.00 0.96 -0.12 1.61 4.01 -1.26 -4.90 118.16 118.46 2yuf n LYS 86 Ca 0.00 -3.75 -0.17 0.00 -0.51 0.00 0.00 58.31 53.88 2yuf n LYS 86 Cb 0.00 -1.91 -0.13 0.00 -0.51 0.00 0.00 35.03 32.48 2yuf n LYS 86 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2yuf n HIS 87 N 2.33 0.06 -0.50 2.13 8.25 -1.26 -4.99 115.22 121.25 2yuf n HIS 87 Ca 0.26 0.01 -0.26 0.00 -0.26 0.00 0.00 57.72 57.47 2yuf n HIS 87 Cb 0.43 -1.01 0.24 0.00 1.12 0.00 0.00 29.99 30.77 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 -3.19 0.00 0.08 2.41 4.77 -1.26 -5.02 117.00 114.79 2yuf n LEU 88 Ca -0.43 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 54.70 2yuf n LEU 88 Cb 1.02 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2yuf n LEU 88 CO 0.29 -2.40 0.00 1.07 -1.33 0.00 0.00 177.39 175.03 2yuf n THR 89 N -5.08 0.00 0.00 -5.08 5.66 -1.26 -5.06 114.28 103.46 2yuf n THR 89 Ca 0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 2yuf n THR 89 Cb 0.51 -0.18 0.00 0.00 -1.55 0.00 0.00 70.33 69.11 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 -2.85 0.00 0.00 1.09 7.94 -1.26 -4.97 117.00 116.95 2yuf n LEU 90 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 2yuf n LEU 90 Cb 0.00 0.01 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 2yuf n LEU 90 CO 0.00 -0.01 0.66 -0.74 -1.11 0.00 0.00 177.39 176.20 2yuf h HIS 91 N 0.00 -0.02 -0.21 1.96 2.76 -1.99 -3.03 115.15 114.62 2yuf h HIS 91 Ca 0.00 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 2yuf h HIS 91 Cb 0.00 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 2yuf h HIS 91 CO 0.00 0.38 0.14 0.93 -1.30 0.00 0.00 177.93 178.08 2yuf h GLU 92 N -0.43 0.19 -0.16 5.26 3.07 -1.97 -2.30 114.58 118.23 2yuf h GLU 92 Ca -0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2yuf h GLU 92 Cb 0.42 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 2yuf h GLU 92 CO 0.00 0.12 0.09 -0.07 -1.40 0.00 0.00 179.01 177.76 2yuf h LEU 93 N 0.19 0.20 -0.31 1.33 3.38 -1.91 -2.44 115.31 115.75 2yuf h LEU 93 Ca 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2yuf h LEU 93 Cb 0.11 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2yuf h LEU 93 CO -0.02 0.22 0.17 0.74 0.09 0.00 0.00 178.44 179.64 2yuf h THR 94 N 0.17 1.14 -0.35 0.22 2.02 -1.31 -2.18 112.91 112.61 2yuf h THR 94 Ca 0.06 -0.36 0.10 0.00 0.77 0.00 0.00 66.41 66.97 2yuf h THR 94 Cb 0.06 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2yuf h THR 94 CO -0.01 0.14 0.28 0.58 0.37 0.00 0.00 175.52 176.88 2yuf h VAL 95 N 0.38 0.69 0.19 3.16 2.07 -1.34 0.79 116.25 122.20 2yuf h VAL 95 Ca 0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 2yuf h VAL 95 Cb 0.07 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2yuf h VAL 95 CO -0.02 0.00 -0.09 0.78 0.02 0.00 0.00 177.57 178.26 2yuf h ASN 96 N 0.00 -0.22 0.22 0.57 4.21 -0.91 -3.14 115.58 116.31 2yuf h ASN 96 Ca 0.16 0.01 -0.05 0.00 1.21 0.00 0.00 56.30 57.63 2yuf h ASN 96 Cb 0.72 0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.97 2yuf h ASN 96 CO -0.00 0.17 -0.24 -0.33 -1.29 0.00 0.00 177.43 175.74 2yuf h GLU 97 N -0.92 0.03 -0.01 0.81 5.08 -1.22 -2.06 114.58 116.29 2yuf h GLU 97 Ca -0.03 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2yuf h GLU 97 Cb 0.20 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2yuf h GLU 97 CO 0.04 0.27 -0.16 0.00 -1.00 0.00 0.00 179.01 178.16 2yuf h ALA 98 N 1.73 1.72 0.00 3.43 0.00 0.49 -2.58 119.26 124.05 2yuf h ALA 98 Ca 0.00 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.52 2yuf h ALA 98 Cb 0.44 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2yuf h ALA 98 CO 0.03 0.21 -1.55 0.00 0.00 0.00 0.00 179.25 177.95 2yuf h ALA 99 N 1.83 0.71 -0.33 0.00 0.00 -1.37 -3.33 119.26 116.77 2yuf h ALA 99 Ca 0.00 -1.21 0.02 0.00 0.00 0.00 0.00 54.91 53.72 2yuf h ALA 99 Cb 0.29 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2yuf h ALA 99 CO 0.02 1.33 0.17 0.00 0.00 0.00 0.00 179.25 180.77 2yuf h ALA 100 N 1.15 0.41 -0.14 0.00 0.00 -0.99 0.17 119.26 119.85 2yuf h ALA 100 Ca -0.23 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2yuf h ALA 100 Cb 1.85 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 2yuf h ALA 100 CO 0.07 -0.20 -0.24 1.96 0.00 0.00 0.00 179.25 180.83 2yuf h GLN 101 N 0.35 0.25 -0.17 0.00 4.20 -1.69 -2.88 115.11 115.17 2yuf h GLN 101 Ca 0.14 -0.08 -0.22 0.00 0.06 0.00 0.00 58.65 58.55 2yuf h GLN 101 Cb 0.05 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.81 2yuf h GLN 101 CO -0.09 0.49 -0.75 -0.07 -0.67 0.00 0.00 178.83 177.73 2yuf h LEU 102 N 0.23 0.95 -1.92 1.46 3.38 -1.50 -3.11 115.31 114.79 2yuf h LEU 102 Ca 0.04 -0.61 0.03 0.00 0.09 0.00 0.00 57.88 57.43 2yuf h LEU 102 Cb 0.56 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2yuf h LEU 102 CO 0.04 1.41 0.12 0.00 0.09 0.00 0.00 178.44 180.09 2yuf h VAL 104 N 0.10 1.21 -0.70 0.00 2.07 -1.46 -3.22 116.25 114.26 2yuf h VAL 104 Ca 0.07 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 2yuf h VAL 104 Cb 0.17 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 2yuf h VAL 104 CO -0.01 0.23 0.38 0.11 0.02 0.00 0.00 177.57 178.30 2yuf h LYS 105 N -0.47 0.99 -4.52 1.57 1.79 -1.44 -3.39 116.57 111.09 2yuf h LYS 105 Ca -0.01 -0.12 -0.61 0.00 -2.18 0.00 0.00 60.65 57.73 2yuf h LYS 105 Cb 0.42 -0.19 -0.37 0.00 -1.58 0.00 0.00 32.23 30.51 2yuf h LYS 105 CO 0.01 0.74 -0.80 0.34 -1.08 0.00 0.00 179.45 178.66 2yuf s ASP 106 N -6.03 3.48 0.30 0.86 2.15 -0.55 -4.99 116.67 111.89 2yuf s ASP 106 Ca -0.13 -0.94 0.11 0.00 0.43 0.00 0.00 52.55 52.02 2yuf s ASP 106 Cb 0.14 -1.21 0.46 0.00 -0.30 0.00 0.00 42.92 42.01 2yuf s ASP 106 CO 0.79 -0.16 1.68 -1.13 -0.17 0.00 0.00 175.17 176.18 2yuf h ASN 107 N 7.97 0.01 0.08 -0.34 -0.00 -1.77 -2.92 115.58 118.61 2yuf h ASN 107 Ca -0.25 -0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.02 2yuf h ASN 107 Cb 1.09 -0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.41 2yuf h ASN 107 CO 0.46 0.55 -0.08 0.00 -0.00 0.00 0.00 177.43 178.35 2yuf h ALA 108 N 1.45 1.85 0.00 1.57 0.00 -1.94 -1.76 119.26 120.43 2yuf h ALA 108 Ca -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2yuf h ALA 108 Cb 0.96 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2yuf h ALA 108 CO 0.07 0.12 -0.03 -0.07 0.00 0.00 0.00 179.25 179.34 2yuf h LEU 109 N 0.01 0.00 -1.79 0.00 3.38 -1.84 -1.53 115.31 113.54 2yuf h LEU 109 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2yuf h LEU 109 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2yuf h LEU 109 CO 0.01 0.03 0.24 -0.07 0.09 0.00 0.00 178.44 178.74 2yuf h LEU 110 N 0.00 0.23 0.14 1.67 3.38 -1.47 -2.38 115.31 116.87 2yuf h LEU 110 Ca -0.00 -0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2yuf h LEU 110 Cb 0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2yuf h LEU 110 CO 0.00 0.15 -1.78 0.71 0.09 0.00 0.00 178.44 177.61 2yuf h THR 111 N 0.26 0.87 -1.17 0.22 1.35 -1.44 -3.42 112.91 109.58 2yuf h THR 111 Ca 0.16 -2.53 -0.61 0.00 -0.55 0.00 0.00 66.41 62.87 2yuf h THR 111 Cb 0.29 2.65 -0.10 0.00 -1.73 0.00 0.00 68.15 69.26 2yuf h THR 111 CO -0.03 0.83 1.50 -0.13 -0.25 0.00 0.00 175.52 177.45 2yuf s ARG 112 N -2.58 3.62 0.07 4.72 0.52 -0.90 -4.81 118.95 119.59 2yuf s ARG 112 Ca -0.16 -1.21 -0.17 0.00 -0.52 0.00 0.00 55.73 53.67 2yuf s ARG 112 Cb 0.06 -5.34 -0.12 0.00 0.52 0.00 0.00 34.95 30.07 2yuf s ARG 112 CO 0.82 -2.19 1.38 -0.09 0.02 0.00 0.00 175.30 175.24 2yuf h ARG 113 N 9.60 0.55 -0.14 3.54 2.43 -1.82 0.59 114.38 129.13 2yuf h ARG 113 Ca 0.21 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2yuf h ARG 113 Cb 1.00 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 2yuf h ARG 113 CO 1.41 0.90 -0.02 0.22 -1.51 0.00 0.00 179.97 180.97 2yuf h ASP 114 N 0.24 0.19 0.22 -3.80 1.82 -1.94 0.74 116.42 113.89 2yuf h ASP 114 Ca 0.03 -0.02 -0.34 0.00 -0.39 0.00 0.00 57.03 56.31 2yuf h ASP 114 Cb 0.81 -0.05 0.03 0.00 0.68 0.00 0.00 39.33 40.80 2yuf h ASP 114 CO 0.06 0.24 -1.56 -0.08 -1.61 0.00 0.00 179.24 176.29 2yuf h GLU 115 N 0.20 0.47 -0.13 0.28 4.57 -1.90 -3.08 114.58 114.99 2yuf h GLU 115 Ca 0.05 -0.81 -0.09 0.00 -1.18 0.00 0.00 59.36 57.33 2yuf h GLU 115 Cb 0.17 0.30 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 2yuf h GLU 115 CO 0.00 1.39 -0.31 1.25 -1.18 0.00 0.00 179.01 180.16 2yuf h LEU 116 N 0.10 0.25 -0.20 1.64 5.85 -0.56 -2.79 115.31 119.60 2yuf h LEU 116 Ca -0.29 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.24 2yuf h LEU 116 Cb 2.12 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 43.08 2yuf h LEU 116 CO 0.23 0.56 -0.27 0.15 -0.34 0.00 0.00 178.44 178.77 2yuf h PHE 117 N 0.22 0.65 -0.24 1.25 3.57 -0.96 -1.70 116.94 119.73 2yuf h PHE 117 Ca 0.03 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.32 2yuf h PHE 117 Cb 0.66 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2yuf h PHE 117 CO 0.01 0.92 0.16 0.00 -2.23 0.00 0.00 178.31 177.17 2yuf h ALA 118 N 0.62 1.83 0.02 2.41 0.00 -1.43 0.52 119.26 123.22 2yuf h ALA 118 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2yuf h ALA 118 Cb 0.84 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2yuf h ALA 118 CO 0.06 0.16 -0.01 -0.07 0.00 0.00 0.00 179.25 179.39 2yuf h LEU 119 N 0.33 -0.03 -1.43 0.00 3.38 -1.41 -2.47 115.31 113.68 2yuf h LEU 119 Ca 0.09 -0.71 0.02 0.00 0.09 0.00 0.00 57.88 57.37 2yuf h LEU 119 Cb -0.04 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2yuf h LEU 119 CO -0.02 0.75 0.40 0.00 0.09 0.00 0.00 178.44 179.66 2yuf h ALA 120 N -0.00 1.63 -0.03 1.53 0.00 -1.09 -1.50 119.26 119.79 2yuf h ALA 120 Ca -0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 2yuf h ALA 120 Cb 0.74 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2yuf h ALA 120 CO 0.01 0.33 -0.66 -0.09 0.00 0.00 0.00 179.25 178.83 2yuf h ARG 121 N 0.76 0.11 -0.87 0.00 2.43 -0.98 -2.60 114.38 113.23 2yuf h ARG 121 Ca 0.23 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2yuf h ARG 121 Cb -0.01 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 2yuf h ARG 121 CO -0.06 0.73 0.57 0.37 -1.51 0.00 0.00 179.97 180.07 2yuf h GLN 122 N 0.08 1.16 0.02 0.20 4.15 -0.78 -1.64 115.11 118.30 2yuf h GLN 122 Ca -0.01 -0.08 -0.22 0.00 0.77 0.00 0.00 58.65 59.11 2yuf h GLN 122 Cb 1.18 -0.26 -0.00 0.00 0.21 0.00 0.00 27.48 28.61 2yuf h GLN 122 CO 0.09 0.78 -0.96 0.82 -1.93 0.00 0.00 178.83 177.63 2yuf h ILE 123 N 1.19 1.45 0.09 2.39 2.04 -1.48 -3.02 117.51 120.16 2yuf h ILE 123 Ca 0.32 -2.60 -0.00 0.00 1.00 0.00 0.00 64.86 63.58 2yuf h ILE 123 Cb -0.12 2.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 2yuf h ILE 123 CO -0.07 0.77 -0.05 -1.28 0.00 0.00 0.00 178.15 177.52 2yuf h SER 124 N 0.17 -0.12 0.05 1.72 0.87 -1.05 -1.03 113.55 114.15 2yuf h SER 124 Ca -0.07 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 2yuf h SER 124 Cb 1.61 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.59 2yuf h SER 124 CO 0.16 -0.08 -0.10 0.03 -0.53 0.00 0.00 176.83 176.30 2yuf h ARG 125 N -0.13 0.13 -0.30 2.24 3.08 -1.40 -2.05 114.38 115.95 2yuf h ARG 125 Ca -0.01 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 2yuf h ARG 125 Cb 0.10 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2yuf h ARG 125 CO 0.01 0.25 -0.12 0.93 -1.07 0.00 0.00 179.97 179.97 2yuf h GLU 126 N 0.13 0.61 -0.20 0.04 5.08 -1.29 -2.70 114.58 116.25 2yuf h GLU 126 Ca 0.03 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 2yuf h GLU 126 Cb 0.27 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2yuf h GLU 126 CO 0.02 0.82 -0.24 0.28 -1.00 0.00 0.00 179.01 178.89 2yuf h VAL 127 N 0.37 1.25 -0.11 3.13 2.07 -0.84 -2.63 116.25 119.49 2yuf h VAL 127 Ca 0.07 -1.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.35 2yuf h VAL 127 Cb 0.62 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2yuf h VAL 127 CO 0.04 0.36 -0.28 0.74 0.02 0.00 0.00 177.57 178.46 2yuf h THR 128 N 0.33 1.24 0.43 2.57 2.02 -1.27 -3.13 112.91 115.10 2yuf h THR 128 Ca 0.05 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.07 2yuf h THR 128 Cb 0.60 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 2yuf h THR 128 CO 0.04 0.34 -0.21 0.22 0.37 0.00 0.00 175.52 176.29 2yuf h TYR 129 N 0.17 -0.54 -3.43 3.16 3.20 -1.14 -3.41 116.97 114.98 2yuf h TYR 129 Ca 0.03 -0.01 -0.61 0.00 3.14 0.00 0.00 58.73 61.27 2yuf h TYR 129 Cb 0.58 0.18 -0.14 0.00 1.54 0.00 0.00 36.73 38.89 2yuf h TYR 129 CO 0.01 -0.30 -0.52 0.15 -1.64 0.00 0.00 178.16 175.86 2yuf s LYS 130 N -5.85 4.07 -0.31 1.82 1.02 -1.18 -4.95 119.74 114.35 2yuf s LYS 130 Ca -0.16 -0.28 0.17 0.00 0.02 0.00 0.00 55.97 55.72 2yuf s LYS 130 Cb 0.04 -3.43 0.45 0.00 -0.52 0.00 0.00 37.83 34.37 2yuf s LYS 130 CO 0.62 0.16 1.37 0.98 -0.92 0.00 0.00 175.35 177.56 2yuf n TYR 131 N 3.94 -0.76 -4.12 3.18 9.36 -1.26 -4.79 117.16 122.70 2yuf n TYR 131 Ca -0.16 -1.90 -0.15 0.00 3.32 0.00 0.00 57.90 59.01 2yuf n TYR 131 Cb 0.52 0.85 -0.11 0.00 -0.63 0.00 0.00 39.34 39.97 2yuf n TYR 131 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 2yuf s THR 132 N -1.43 0.79 0.41 2.97 -1.32 -1.26 -5.17 115.64 110.63 2yuf s THR 132 Ca 0.17 -1.32 0.00 0.00 -1.21 0.00 0.00 61.69 59.33 2yuf s THR 132 Cb 0.40 -0.96 -0.00 0.00 -1.51 0.00 0.00 72.50 70.42 2yuf s THR 132 CO -0.09 -0.41 0.01 -1.22 -2.21 0.00 0.00 174.62 170.70 2yuf n TYR 133 N 1.12 0.87 -1.54 9.09 4.02 -1.26 -5.04 117.16 124.42 2yuf n TYR 133 Ca -0.20 -2.08 -0.29 0.00 -0.01 0.00 0.00 57.90 55.32 2yuf n TYR 133 Cb 0.56 -0.24 -0.04 0.00 -0.02 0.00 0.00 39.34 39.59 2yuf n TYR 133 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 2yuf n ARG 134 N -1.01 2.44 -3.61 -0.72 1.85 -1.26 -4.88 116.66 109.47 2yuf n ARG 134 Ca -0.16 -2.52 -0.10 0.00 -1.00 0.00 0.00 57.85 54.07 2yuf n ARG 134 Cb 0.53 -2.15 -0.03 0.00 -1.05 0.00 0.00 32.46 29.76 2yuf n ARG 134 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 2yuf s THR 135 N -2.73 0.02 0.64 8.89 -1.32 -1.26 -5.15 115.64 114.72 2yuf s THR 135 Ca 0.57 -0.46 -0.18 0.00 -1.21 0.00 0.00 61.69 60.42 2yuf s THR 135 Cb 0.39 -1.35 -0.02 0.00 -1.51 0.00 0.00 72.50 70.02 2yuf s THR 135 CO -0.25 -0.07 1.18 1.07 -2.21 0.00 0.00 174.62 174.34 2yuf n THR 136 N -0.36 4.50 -2.27 5.08 5.66 -1.26 -4.88 114.28 120.75 2yuf n THR 136 Ca -0.13 -0.49 -0.41 0.00 -3.05 0.00 0.00 64.05 59.97 2yuf n THR 136 Cb 0.63 -1.36 -0.03 0.00 -1.55 0.00 0.00 70.33 68.02 2yuf n THR 136 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2yuf s SER 137 N -1.37 5.91 0.00 1.09 0.01 -1.26 -4.71 113.70 113.37 2yuf s SER 137 Ca 0.81 0.39 0.00 0.00 1.31 0.00 0.00 55.95 58.46 2yuf s SER 137 Cb -0.39 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.30 2yuf s SER 137 CO 0.43 -1.86 0.00 0.61 0.41 0.00 0.00 173.24 172.82 2yuf n GLY 138 N 5.38 -1.82 3.30 3.44 0.00 -1.26 -5.17 105.19 109.06 2yuf n GLY 138 Ca 0.15 0.88 -0.31 0.00 0.00 0.00 0.00 46.02 46.74 2yuf n GLY 138 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2yuf n PRO 139 N 0.00 -1.88 0.03 1.61 -0.02 -1.26 -4.92 135.00 128.55 2yuf n PRO 139 Ca 0.00 -0.53 0.00 0.00 -2.02 0.00 0.00 63.50 60.95 2yuf n PRO 139 Cb 0.00 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2yuf n PRO 139 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2yuf n SER 140 N -2.35 -0.54 -2.41 2.55 2.88 -1.26 -5.13 113.62 107.36 2yuf n SER 140 Ca 0.01 0.39 -0.02 0.00 -1.33 0.00 0.00 58.87 57.91 2yuf n SER 140 Cb 0.61 0.80 -0.02 0.00 -0.75 0.00 0.00 64.21 64.85 2yuf n SER 140 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yuf n SER 141 N -2.75 -6.22 0.00 -3.46 7.64 -1.26 -5.24 113.62 102.33 2yuf n SER 141 Ca 0.00 1.65 0.00 0.00 1.01 0.00 0.00 58.87 61.53 2yuf n SER 141 Cb 0.00 -5.16 0.00 0.00 -1.01 0.00 0.00 64.21 58.04 2yuf n SER 141 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64