#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 -0.25 -0.28 1.61 0.15 -1.26 -4.99 113.70 108.68 2yuf s SER 2 Ca 0.00 -0.21 -0.03 0.00 0.70 0.00 0.00 55.95 56.41 2yuf s SER 2 Cb 0.00 1.40 0.01 0.00 -1.71 0.00 0.00 66.02 65.72 2yuf s SER 2 CO 0.00 -0.34 0.06 -1.20 1.20 0.00 0.00 173.24 172.96 2yuf n SER 3 N 5.37 -6.23 0.00 5.45 7.64 -1.26 -4.74 113.62 119.85 2yuf n SER 3 Ca 0.02 1.40 0.00 0.00 1.01 0.00 0.00 58.87 61.30 2yuf n SER 3 Cb 0.51 -5.27 0.00 0.00 -1.01 0.00 0.00 64.21 58.44 2yuf n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuf n GLY 4 N 0.92 0.75 2.92 0.23 0.00 -1.26 -4.93 105.19 103.82 2yuf n GLY 4 Ca -0.10 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 2yuf n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yuf s SER 5 N -4.00 -0.08 0.81 1.61 0.15 -1.26 -4.75 113.70 106.18 2yuf s SER 5 Ca 0.00 0.30 -0.05 0.00 0.70 0.00 0.00 55.95 56.90 2yuf s SER 5 Cb 0.00 0.19 0.16 0.00 -1.71 0.00 0.00 66.02 64.66 2yuf s SER 5 CO 0.00 -0.15 1.02 -1.54 1.20 0.00 0.00 173.24 173.77 2yuf n SER 6 N 4.25 0.84 0.00 5.45 3.41 -1.26 -4.80 113.62 121.52 2yuf n SER 6 Ca -0.26 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.52 2yuf n SER 6 Cb 0.52 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2yuf n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yuf n GLY 7 N -2.35 1.66 3.24 5.00 0.00 -1.26 -4.92 105.19 106.55 2yuf n GLY 7 Ca 0.15 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.83 2yuf n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2yuf n GLU 8 N 0.00 0.25 -1.43 1.61 0.00 -1.26 -4.88 120.64 114.92 2yuf n GLU 8 Ca 0.00 -0.78 0.17 0.00 0.00 0.00 0.00 57.16 56.55 2yuf n GLU 8 Cb 0.00 1.20 -0.10 0.00 0.00 0.00 0.00 31.44 32.55 2yuf n GLU 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2yuf n ALA 9 N -1.28 -3.76 -1.22 4.31 0.00 -1.26 -4.92 120.51 112.38 2yuf n ALA 9 Ca -0.10 0.94 -0.19 0.00 0.00 0.00 0.00 53.44 54.09 2yuf n ALA 9 Cb 0.48 -1.57 0.23 0.00 0.00 0.00 0.00 19.45 18.58 2yuf n ALA 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2yuf n LEU 10 N -4.32 0.00 -4.90 0.00 4.77 -1.26 -5.05 117.00 106.24 2yuf n LEU 10 Ca -0.10 -1.17 -0.28 0.00 -0.03 0.00 0.00 56.01 54.43 2yuf n LEU 10 Cb 0.68 -0.96 0.06 0.00 -2.33 0.00 0.00 43.42 40.86 2yuf n LEU 10 CO 0.04 -1.98 0.69 -1.81 -1.33 0.00 0.00 177.39 173.00 2yuf s ASP 11 N -4.59 5.15 0.48 -1.43 1.01 -1.26 -4.79 116.67 111.25 2yuf s ASP 11 Ca 0.69 0.83 0.14 0.00 0.71 0.00 0.00 52.55 54.92 2yuf s ASP 11 Cb -0.06 -1.58 1.13 0.00 1.01 0.00 0.00 42.92 43.43 2yuf s ASP 11 CO 0.52 -1.45 2.10 0.00 0.21 0.00 0.00 175.17 176.54 2yuf h ALA 12 N -0.63 1.88 0.09 5.23 0.00 -1.99 0.19 119.26 124.04 2yuf h ALA 12 Ca -0.45 -0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.07 2yuf h ALA 12 Cb 1.28 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2yuf h ALA 12 CO 0.63 0.10 -1.92 0.00 0.00 0.00 0.00 179.25 178.06 2yuf n ALA 13 N -2.52 1.05 -0.13 0.00 0.00 -1.26 -3.68 120.51 113.97 2yuf n ALA 13 Ca -0.02 -0.64 -0.09 0.00 0.00 0.00 0.00 53.44 52.69 2yuf n ALA 13 Cb 0.12 -0.73 0.05 0.00 0.00 0.00 0.00 19.45 18.89 2yuf n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yuf h ALA 14 N 0.33 0.80 -0.16 0.00 0.00 -1.86 -2.89 119.26 115.48 2yuf h ALA 14 Ca -0.39 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.08 2yuf h ALA 14 Cb 2.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 2yuf h ALA 14 CO 0.09 0.65 -0.23 0.00 0.00 0.00 0.00 179.25 179.76 2yuf h ALA 15 N 0.99 1.31 -0.06 0.00 0.00 -0.79 -2.49 119.26 118.23 2yuf h ALA 15 Ca 0.11 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2yuf h ALA 15 Cb 0.74 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2yuf h ALA 15 CO 0.06 0.47 -0.37 -0.07 0.00 0.00 0.00 179.25 179.34 2yuf h LEU 16 N 0.27 0.12 -0.07 0.00 3.38 -1.59 -0.03 115.31 117.38 2yuf h LEU 16 Ca 0.04 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2yuf h LEU 16 Cb 0.56 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2yuf h LEU 16 CO 0.04 0.48 -0.36 -1.28 0.09 0.00 0.00 178.44 177.41 2yuf h SER 17 N 0.10 0.44 0.47 -0.43 0.87 -1.30 -1.72 113.55 111.98 2yuf h SER 17 Ca 0.01 -0.65 -0.12 0.00 -1.23 0.00 0.00 61.79 59.79 2yuf h SER 17 Cb 0.71 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 2yuf h SER 17 CO 0.05 1.02 -0.56 0.58 -0.53 0.00 0.00 176.83 177.40 2yuf h VAL 18 N -0.11 1.39 0.00 2.23 2.07 -1.39 0.39 116.25 120.82 2yuf h VAL 18 Ca -0.02 -1.89 -0.17 0.00 0.82 0.00 0.00 66.70 65.43 2yuf h VAL 18 Cb 1.01 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 2yuf h VAL 18 CO 0.07 0.55 -0.81 0.00 0.02 0.00 0.00 177.57 177.40 2yuf h ALA 19 N 1.36 0.66 0.01 1.67 0.00 -1.03 -2.07 119.26 119.87 2yuf h ALA 19 Ca -0.00 -0.73 -0.31 0.00 0.00 0.00 0.00 54.91 53.86 2yuf h ALA 19 Cb 1.00 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 2yuf h ALA 19 CO 0.08 1.00 -1.81 0.39 0.00 0.00 0.00 179.25 178.90 2yuf n GLU 20 N -3.59 0.65 0.00 0.00 -0.58 -0.65 -4.05 120.64 112.43 2yuf n GLU 20 Ca -0.01 0.26 -0.16 0.00 -0.42 0.00 0.00 57.16 56.84 2yuf n GLU 20 Cb 0.78 -1.76 -0.05 0.00 -0.57 0.00 0.00 31.44 29.84 2yuf n GLU 20 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yuf h VAL 22 N 0.46 0.97 0.00 0.00 3.04 -1.54 -0.32 116.25 118.86 2yuf h VAL 22 Ca -0.06 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 2yuf h VAL 22 Cb 1.42 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 2yuf h VAL 22 CO 0.16 0.00 -0.98 -0.62 -1.01 0.00 0.00 177.57 175.12 2yuf n GLU 23 N -4.52 0.36 0.02 4.17 1.02 -1.18 -3.18 120.64 117.33 2yuf n GLU 23 Ca -0.01 0.03 -0.06 0.00 -0.02 0.00 0.00 57.16 57.09 2yuf n GLU 23 Cb 0.15 -1.65 -0.12 0.00 -0.02 0.00 0.00 31.44 29.81 2yuf n GLU 23 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yuf h ARG 24 N 0.00 0.00 0.00 3.49 2.47 -0.55 -3.35 114.38 116.44 2yuf h ARG 24 Ca 0.00 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.54 2yuf h ARG 24 Cb 0.79 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.08 2yuf h ARG 24 CO 0.00 0.65 -1.35 0.00 0.56 0.00 0.00 179.97 179.84 2yuf h MET 25 N 0.00 0.00 0.01 0.04 -0.00 -1.27 -3.38 114.93 110.33 2yuf h MET 25 Ca -0.15 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.57 2yuf h MET 25 Cb 1.84 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 33.40 2yuf h MET 25 CO 0.09 0.35 -0.20 0.00 -0.00 0.00 0.00 176.91 177.15 2yuf h ALA 26 N 1.37 -0.26 -0.83 -3.00 0.00 -1.67 0.10 119.26 114.98 2yuf h ALA 26 Ca -0.16 0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.91 2yuf h ALA 26 Cb 1.61 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 19.66 2yuf h ALA 26 CO 0.05 -0.70 0.41 -1.35 0.00 0.00 0.00 179.25 177.66 2yuf h PRO 27 N -0.32 0.55 -0.03 0.00 0.11 -1.74 -0.31 132.00 130.26 2yuf h PRO 27 Ca 0.06 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.97 2yuf h PRO 27 Cb 0.40 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 2yuf h PRO 27 CO -0.18 0.37 -0.70 1.79 -0.21 0.00 0.00 178.00 179.06 2yuf h THR 28 N 0.57 1.45 -4.15 -1.15 1.35 -1.65 -3.45 112.91 105.89 2yuf h THR 28 Ca 0.46 -2.27 -0.49 0.00 -0.55 0.00 0.00 66.41 63.56 2yuf h THR 28 Cb 0.68 2.21 0.05 0.00 -1.73 0.00 0.00 68.15 69.37 2yuf h THR 28 CO -0.38 0.66 0.38 -0.76 -0.25 0.00 0.00 175.52 175.17 2yuf s LEU 29 N -7.64 3.63 0.32 3.87 1.43 0.32 -5.01 118.68 115.61 2yuf s LEU 29 Ca -0.03 1.87 -0.29 0.00 -1.03 0.00 0.00 54.13 54.66 2yuf s LEU 29 Cb 0.12 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.69 2yuf s LEU 29 CO 0.80 -1.03 1.21 -2.16 0.23 0.00 0.00 176.35 175.39 2yuf s PRO 30 N -3.74 4.43 0.09 1.29 0.04 -1.26 -4.91 135.00 130.93 2yuf s PRO 30 Ca 0.65 2.00 -0.10 0.00 0.04 0.00 0.00 61.00 63.60 2yuf s PRO 30 Cb -0.16 -3.06 -0.06 0.00 0.04 0.00 0.00 34.50 31.25 2yuf s PRO 30 CO 0.30 -0.05 0.41 0.15 0.04 0.00 0.00 177.00 177.86 2yuf s LYS 31 N -1.73 3.76 0.10 4.56 3.01 -1.26 -5.10 119.74 123.09 2yuf s LYS 31 Ca 0.48 0.18 0.10 0.00 -1.01 0.00 0.00 55.97 55.72 2yuf s LYS 31 Cb -0.35 -2.99 -0.04 0.00 -1.01 0.00 0.00 37.83 33.44 2yuf s LYS 31 CO 0.46 0.55 -0.25 -1.54 0.51 0.00 0.00 175.35 175.08 2yuf s SER 32 N -1.79 3.37 0.29 2.83 1.04 -1.26 -5.14 113.70 113.04 2yuf s SER 32 Ca 0.34 -0.67 -0.04 0.00 0.48 0.00 0.00 55.95 56.06 2yuf s SER 32 Cb -0.14 -0.30 -0.05 0.00 0.10 0.00 0.00 66.02 65.63 2yuf s SER 32 CO 0.18 0.20 0.54 -0.62 0.98 0.00 0.00 173.24 174.53 2yuf s ASP 33 N -1.82 6.42 0.33 7.02 2.15 -1.26 -4.99 116.67 124.52 2yuf s ASP 33 Ca 0.14 0.66 0.11 0.00 0.43 0.00 0.00 52.55 53.88 2yuf s ASP 33 Cb -0.10 -2.12 0.57 0.00 -0.30 0.00 0.00 42.92 40.96 2yuf s ASP 33 CO 0.05 -0.19 1.74 -0.07 -0.17 0.00 0.00 175.17 176.53 2yuf h LEU 34 N 1.62 0.05 -1.47 -1.34 3.38 -2.00 -2.80 115.31 112.76 2yuf h LEU 34 Ca -0.48 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.42 2yuf h LEU 34 Cb 1.19 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2yuf h LEU 34 CO 0.66 0.50 -0.18 -1.13 0.09 0.00 0.00 178.44 178.38 2yuf h ASN 35 N 0.04 0.12 -0.37 -0.43 -1.24 -1.99 0.26 115.58 111.97 2yuf h ASN 35 Ca 0.00 -0.02 -0.15 0.00 0.71 0.00 0.00 56.30 56.83 2yuf h ASN 35 Cb 0.81 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.82 2yuf h ASN 35 CO 0.06 0.31 -0.36 -0.08 -1.29 0.00 0.00 177.43 176.07 2yuf h GLU 36 N 0.12 0.92 0.00 6.67 4.81 -1.90 -3.13 114.58 122.06 2yuf h GLU 36 Ca 0.02 -0.46 -0.16 0.00 -0.13 0.00 0.00 59.36 58.63 2yuf h GLU 36 Cb 0.39 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2yuf h GLU 36 CO 0.03 1.12 -0.93 -0.39 -0.73 0.00 0.00 179.01 178.10 2yuf h VAL 37 N 0.76 0.99 -0.05 0.32 -1.51 -1.48 -3.33 116.25 111.95 2yuf h VAL 37 Ca 0.07 -2.50 0.02 0.00 -1.23 0.00 0.00 66.70 63.06 2yuf h VAL 37 Cb 0.94 2.44 -0.03 0.00 -2.13 0.00 0.00 31.29 32.51 2yuf h VAL 37 CO 0.09 0.56 -0.10 0.11 -1.23 0.00 0.00 177.57 177.00 2yuf h LYS 38 N 0.00 -0.14 -0.14 5.19 1.57 -0.45 -1.60 116.57 121.01 2yuf h LYS 38 Ca -0.07 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2yuf h LYS 38 Cb 1.58 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.91 2yuf h LYS 38 CO 0.08 -0.09 0.04 1.49 -0.57 0.00 0.00 179.45 180.40 2yuf h GLU 39 N -0.14 0.18 -0.10 3.15 4.81 -1.68 -1.23 114.58 119.57 2yuf h GLU 39 Ca 0.06 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 2yuf h GLU 39 Cb 0.22 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2yuf h GLU 39 CO -0.14 0.17 -0.24 -0.07 -0.73 0.00 0.00 179.01 177.99 2yuf h LEU 40 N 0.19 0.17 0.00 1.64 3.38 -1.42 -1.68 115.31 117.59 2yuf h LEU 40 Ca 0.05 -0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 2yuf h LEU 40 Cb 0.06 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2yuf h LEU 40 CO -0.00 0.42 -1.17 -0.07 0.09 0.00 0.00 178.44 177.71 2yuf h LEU 41 N 0.16 0.00 -0.64 1.67 3.38 -0.69 -3.16 115.31 116.03 2yuf h LEU 41 Ca 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2yuf h LEU 41 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2yuf h LEU 41 CO 0.04 0.95 -0.33 0.11 0.09 0.00 0.00 178.44 179.29 2yuf h LYS 42 N 0.00 0.00 0.13 1.13 6.56 -1.00 -3.18 116.57 120.20 2yuf h LYS 42 Ca -0.09 0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 59.22 2yuf h LYS 42 Cb 1.80 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.46 2yuf h LYS 42 CO 0.11 0.33 -1.27 0.00 -2.06 0.00 0.00 179.45 176.56 2yuf h THR 43 N 0.00 1.47 -3.65 -0.16 1.03 -1.38 -3.45 112.91 106.78 2yuf h THR 43 Ca -0.00 -3.04 -0.67 0.00 -0.01 0.00 0.00 66.41 62.68 2yuf h THR 43 Cb 1.01 2.93 -0.22 0.00 -1.07 0.00 0.00 68.15 70.80 2yuf h THR 43 CO 0.04 0.89 -0.72 0.20 -0.01 0.00 0.00 175.52 175.92 2yuf s ASN 44 N -7.14 4.39 -0.11 0.00 -0.87 -1.20 -5.01 114.94 105.00 2yuf s ASN 44 Ca -0.04 -0.14 0.13 0.00 -1.57 0.00 0.00 52.86 51.24 2yuf s ASN 44 Cb 0.07 -1.25 -0.24 0.00 -0.02 0.00 0.00 41.25 39.81 2yuf s ASN 44 CO 0.88 0.30 0.40 1.17 -2.57 0.00 0.00 177.10 177.28 2yuf n LYS 45 N 2.66 0.66 -0.00 -0.60 4.81 -1.26 -3.54 118.16 120.89 2yuf n LYS 45 Ca -0.18 0.18 -0.18 0.00 -0.87 0.00 0.00 58.31 57.26 2yuf n LYS 45 Cb 0.53 -1.68 -0.08 0.00 0.02 0.00 0.00 35.03 33.81 2yuf n LYS 45 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2yuf h LYS 46 N 0.00 0.75 -0.01 1.64 3.64 -1.95 -2.51 116.57 118.14 2yuf h LYS 46 Ca -0.40 -0.68 -0.00 0.00 -1.27 0.00 0.00 60.65 58.30 2yuf h LYS 46 Cb 2.10 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 34.08 2yuf h LYS 46 CO 0.06 1.28 -0.00 -0.07 -2.27 0.00 0.00 179.45 178.44 2yuf h LEU 47 N 0.47 0.02 -1.37 5.20 3.38 -1.93 -2.92 115.31 118.16 2yuf h LEU 47 Ca -0.08 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.54 2yuf h LEU 47 Cb 1.50 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.21 2yuf h LEU 47 CO 0.17 0.39 0.44 0.00 0.09 0.00 0.00 178.44 179.53 2yuf h ALA 48 N 0.63 1.58 0.00 1.53 0.00 -1.65 -0.20 119.26 121.15 2yuf h ALA 48 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2yuf h ALA 48 Cb 0.38 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2yuf h ALA 48 CO 0.00 0.37 0.00 -0.22 0.00 0.00 0.00 179.25 179.40 2yuf h LYS 49 N 0.84 0.00 0.00 0.00 1.63 -1.37 0.40 116.57 118.07 2yuf h LYS 49 Ca 0.25 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 2yuf h LYS 49 Cb -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 2yuf h LYS 49 CO -0.06 0.00 -0.10 1.98 -3.45 0.00 0.00 179.45 177.82 2yuf h MET 50 N 0.00 0.00 -1.05 1.90 4.05 -0.85 -3.43 114.93 115.54 2yuf h MET 50 Ca 0.00 0.00 -0.51 0.00 -0.28 0.00 0.00 59.70 58.91 2yuf h MET 50 Cb 0.33 0.00 -0.42 0.00 -0.80 0.00 0.00 31.60 30.71 2yuf h MET 50 CO 0.00 0.00 -0.86 0.44 0.23 0.00 0.00 176.91 176.72 2yuf n ILE 51 N -2.95 2.16 -0.04 1.77 -5.35 -0.93 -4.75 119.36 109.27 2yuf n ILE 51 Ca -0.01 -4.24 -0.02 0.00 -0.27 0.00 0.00 62.75 58.20 2yuf n ILE 51 Cb 0.05 -0.73 -0.14 0.00 -1.74 0.00 0.00 39.64 37.08 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 -0.53 -1.05 0.15 3.28 0.00 0.14 -4.25 105.19 102.93 2yuf n GLY 52 Ca 0.34 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 0.01 -0.27 1.61 2.07 -1.86 -3.04 115.15 113.68 2yuf h HIS 53 Ca -0.31 -0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.11 2yuf h HIS 53 Cb 1.78 -0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.74 2yuf h HIS 53 CO 0.00 0.59 -0.25 0.82 -3.07 0.00 0.00 177.93 176.02 2yuf h ILE 54 N 0.01 1.27 -0.09 6.12 2.04 -1.92 -1.81 117.51 123.13 2yuf h ILE 54 Ca -0.01 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 2yuf h ILE 54 Cb 1.03 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 2yuf h ILE 54 CO 0.08 0.41 -0.14 -0.26 0.00 0.00 0.00 178.15 178.23 2yuf h PHE 55 N 0.45 0.14 0.03 1.37 0.04 -1.71 -2.55 116.94 114.72 2yuf h PHE 55 Ca 0.07 -0.01 -0.25 0.00 2.80 0.00 0.00 57.97 60.57 2yuf h PHE 55 Cb 0.67 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.75 2yuf h PHE 55 CO 0.02 0.28 -1.30 0.93 -0.60 0.00 0.00 178.31 177.64 2yuf h GLU 56 N 0.13 0.07 -7.01 1.51 5.08 -1.52 -3.46 114.58 109.37 2yuf h GLU 56 Ca 0.03 -0.11 -0.55 0.00 -1.00 0.00 0.00 59.36 57.73 2yuf h GLU 56 Cb 0.34 0.04 0.13 0.00 0.50 0.00 0.00 28.75 29.76 2yuf h GLU 56 CO 0.02 0.91 0.67 -0.12 -1.00 0.00 0.00 179.01 179.49 2yuf n MET 57 N -3.30 2.05 -1.88 2.33 1.56 -0.71 -4.98 117.12 112.19 2yuf n MET 57 Ca -0.08 0.74 -0.32 0.00 -0.27 0.00 0.00 57.70 57.77 2yuf n MET 57 Cb 0.99 -2.62 0.02 0.00 2.15 0.00 0.00 33.22 33.76 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 -0.64 5.84 0.26 6.12 2.47 -1.26 -4.97 114.94 122.76 2yuf s ASN 58 Ca 0.65 1.62 0.08 0.00 0.42 0.00 0.00 52.86 55.63 2yuf s ASN 58 Cb -0.43 -2.50 0.32 0.00 -1.45 0.00 0.00 41.25 37.18 2yuf s ASN 58 CO 0.54 -1.13 1.60 -0.78 -3.72 0.00 0.00 177.10 173.61 2yuf h ASP 59 N -0.09 0.14 0.61 -4.21 1.82 -1.95 -3.03 116.42 109.70 2yuf h ASP 59 Ca -0.45 -0.08 -0.15 0.00 -0.39 0.00 0.00 57.03 55.96 2yuf h ASP 59 Cb 1.20 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 41.16 2yuf h ASP 59 CO 0.59 0.70 -0.70 -0.78 -1.61 0.00 0.00 179.24 177.44 2yuf h ASP 60 N 0.09 0.09 -1.77 2.28 3.58 -2.03 -3.44 116.42 115.21 2yuf h ASP 60 Ca -0.01 -0.06 -0.61 0.00 0.42 0.00 0.00 57.03 56.78 2yuf h ASP 60 Cb 1.08 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 2yuf h ASP 60 CO 0.09 0.75 1.49 -0.67 -2.88 0.00 0.00 179.24 178.01 2yuf n ASP 61 N -3.74 2.99 0.05 2.28 2.03 -1.15 -4.82 116.55 114.19 2yuf n ASP 61 Ca -0.02 0.22 0.21 0.00 0.52 0.00 0.00 54.79 55.73 2yuf n ASP 61 Cb 0.68 -1.49 0.73 0.00 -0.72 0.00 0.00 41.12 40.32 2yuf n ASP 61 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2yuf h PRO 62 N 14.64 0.00 -0.05 -0.67 0.11 -1.88 0.73 132.00 144.88 2yuf h PRO 62 Ca -0.38 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.74 2yuf h PRO 62 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2yuf h PRO 62 CO 0.98 0.00 0.04 0.45 -0.21 0.00 0.00 178.00 179.25 2yuf h HIS 63 N 0.00 0.03 -0.68 0.65 3.86 -1.93 -2.08 115.15 115.00 2yuf h HIS 63 Ca 0.23 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.45 2yuf h HIS 63 Cb 1.16 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.58 2yuf h HIS 63 CO 0.00 0.02 0.44 -0.22 0.86 0.00 0.00 177.93 179.03 2yuf h LYS 64 N 0.03 0.87 -0.10 2.45 3.64 -1.12 0.48 116.57 122.83 2yuf h LYS 64 Ca 0.02 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2yuf h LYS 64 Cb 0.05 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2yuf h LYS 64 CO -0.00 0.57 0.04 1.49 -2.27 0.00 0.00 179.45 179.28 2yuf h GLU 65 N 0.89 0.13 0.14 1.90 4.22 -1.52 0.22 114.58 120.56 2yuf h GLU 65 Ca 0.25 -0.01 -0.29 0.00 0.08 0.00 0.00 59.36 59.39 2yuf h GLU 65 Cb -0.07 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2yuf h GLU 65 CO -0.07 0.11 -1.39 0.93 -2.18 0.00 0.00 179.01 176.41 2yuf h GLU 66 N 0.13 0.29 -0.32 1.92 5.08 -1.31 -2.40 114.58 117.98 2yuf h GLU 66 Ca 0.03 -0.50 -0.11 0.00 -1.00 0.00 0.00 59.36 57.79 2yuf h GLU 66 Cb 0.03 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2yuf h GLU 66 CO -0.00 1.20 -0.22 0.93 -1.00 0.00 0.00 179.01 179.92 2yuf h GLU 67 N 0.08 0.71 -0.00 2.33 4.39 -0.31 -1.29 114.58 120.48 2yuf h GLU 67 Ca -0.19 -0.34 -0.00 0.00 0.34 0.00 0.00 59.36 59.17 2yuf h GLU 67 Cb 2.01 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.66 2yuf h GLU 67 CO 0.19 0.94 -0.01 0.82 -1.16 0.00 0.00 179.01 179.80 2yuf h ILE 68 N 0.47 1.47 -0.14 3.13 2.04 -1.09 -3.07 117.51 120.31 2yuf h ILE 68 Ca 0.06 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.54 2yuf h ILE 68 Cb 0.77 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.24 2yuf h ILE 68 CO 0.06 0.36 0.09 0.03 0.00 0.00 0.00 178.15 178.69 2yuf h ARG 69 N -0.57 0.17 -0.45 2.37 3.08 -1.50 0.22 114.38 117.70 2yuf h ARG 69 Ca 0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2yuf h ARG 69 Cb 0.59 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2yuf h ARG 69 CO 0.00 0.11 0.16 -0.22 -1.07 0.00 0.00 179.97 178.96 2yuf h LYS 70 N 0.17 0.68 0.04 0.04 3.64 -1.21 -3.02 116.57 116.91 2yuf h LYS 70 Ca 0.05 -0.13 -0.23 0.00 -1.27 0.00 0.00 60.65 59.06 2yuf h LYS 70 Cb 0.00 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2yuf h LYS 70 CO -0.01 0.64 -1.11 1.88 -2.27 0.00 0.00 179.45 178.57 2yuf h TYR 71 N 0.59 0.16 -0.64 1.91 0.05 -1.30 -3.42 116.97 114.32 2yuf h TYR 71 Ca 0.15 -0.12 -0.30 0.00 0.05 0.00 0.00 58.73 58.52 2yuf h TYR 71 Cb 0.22 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 37.91 2yuf h TYR 71 CO 0.01 1.09 0.81 -1.12 -1.05 0.00 0.00 178.16 177.90 2yuf s SER 72 N -6.82 5.08 -0.30 3.88 0.01 0.71 -4.76 113.70 111.50 2yuf s SER 72 Ca -0.01 -0.93 -0.01 0.00 1.31 0.00 0.00 55.95 56.31 2yuf s SER 72 Cb 0.09 -2.57 0.19 0.00 0.21 0.00 0.00 66.02 63.94 2yuf s SER 72 CO 0.84 -2.87 0.78 0.00 0.41 0.00 0.00 173.24 172.41 2yuf s ALA 73 N 10.45 -3.11 -0.11 1.44 0.00 -1.26 -4.73 121.76 124.45 2yuf s ALA 73 Ca 0.70 1.15 0.08 0.00 0.00 0.00 0.00 51.96 53.89 2yuf s ALA 73 Cb -0.05 -2.68 -0.12 0.00 0.00 0.00 0.00 23.12 20.27 2yuf s ALA 73 CO 0.03 -1.97 0.00 -0.89 0.00 0.00 0.00 175.76 172.94 2yuf n ILE 74 N 5.22 0.72 -1.30 0.00 5.41 -1.26 -4.59 119.36 123.56 2yuf n ILE 74 Ca 0.07 -0.41 -0.30 0.00 1.00 0.00 0.00 62.75 63.10 2yuf n ILE 74 Cb 0.56 -0.77 0.06 0.00 -0.71 0.00 0.00 39.64 38.77 2yuf n ILE 74 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2yuf n TYR 75 N -2.49 2.68 0.00 1.39 4.02 -1.26 -4.99 117.16 116.51 2yuf n TYR 75 Ca -0.18 -2.61 0.00 0.00 -0.01 0.00 0.00 57.90 55.09 2yuf n TYR 75 Cb 0.82 -1.30 0.00 0.00 -0.02 0.00 0.00 39.34 38.85 2yuf n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2yuf n GLY 76 N -0.44 0.37 0.00 2.72 0.00 -1.26 -4.89 105.19 101.68 2yuf n GLY 76 Ca 0.53 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2yuf n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuf n ARG 77 N 0.00 0.26 -0.03 1.61 1.74 -1.26 -4.75 116.66 114.24 2yuf n ARG 77 Ca 0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 2yuf n ARG 77 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2yuf n ARG 77 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2yuf n PHE 78 N -1.70 0.00 -3.37 -1.55 -1.74 -1.26 -4.89 117.46 102.95 2yuf n PHE 78 Ca 0.00 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.69 2yuf n PHE 78 Cb 0.00 -0.24 -0.09 0.00 1.52 0.00 0.00 39.48 40.67 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 -4.83 1.52 -0.42 5.98 1.11 -1.26 -4.96 116.67 113.81 2yuf s ASP 79 Ca -0.09 -1.82 0.05 0.00 0.18 0.00 0.00 52.55 50.88 2yuf s ASP 79 Cb 0.02 0.32 0.20 0.00 1.07 0.00 0.00 42.92 44.53 2yuf s ASP 79 CO 0.14 -0.26 0.41 -0.24 1.18 0.00 0.00 175.17 176.40 2yuf n SER 80 N 4.07 -0.07 -4.56 0.27 2.88 -1.26 -5.08 113.62 109.87 2yuf n SER 80 Ca 0.13 -2.52 -0.38 0.00 -1.33 0.00 0.00 58.87 54.76 2yuf n SER 80 Cb 0.44 -0.59 -0.03 0.00 -0.75 0.00 0.00 64.21 63.28 2yuf n SER 80 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2yuf s LYS 81 N -0.43 2.54 0.30 -1.46 1.02 -1.26 -4.95 119.74 115.50 2yuf s LYS 81 Ca 0.33 1.11 0.11 0.00 0.02 0.00 0.00 55.97 57.54 2yuf s LYS 81 Cb 0.08 -4.44 -0.05 0.00 -0.52 0.00 0.00 37.83 32.89 2yuf s LYS 81 CO -0.17 -2.79 -0.16 1.03 -0.92 0.00 0.00 175.35 172.34 2yuf s ARG 82 N 7.29 1.70 -0.45 1.68 0.52 -1.26 -5.04 118.95 123.39 2yuf s ARG 82 Ca 0.82 -1.81 0.04 0.00 -0.52 0.00 0.00 55.73 54.26 2yuf s ARG 82 Cb -0.17 -1.69 0.67 0.00 0.52 0.00 0.00 34.95 34.28 2yuf s ARG 82 CO 0.25 0.25 1.92 0.36 0.02 0.00 0.00 175.30 178.10 2yuf n LYS 83 N -0.66 2.28 -1.42 3.54 2.85 -1.26 -4.30 118.16 119.19 2yuf n LYS 83 Ca -0.05 -3.01 -0.00 0.00 -1.05 0.00 0.00 58.31 54.19 2yuf n LYS 83 Cb 0.61 -2.18 0.01 0.00 -0.65 0.00 0.00 35.03 32.82 2yuf n LYS 83 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2yuf n ASP 84 N -1.13 -0.18 -0.96 -5.58 5.68 -1.26 -5.01 116.55 108.11 2yuf n ASP 84 Ca 0.60 -0.97 0.05 0.00 -0.50 0.00 0.00 54.79 53.97 2yuf n ASP 84 Cb 1.68 0.08 0.11 0.00 -1.14 0.00 0.00 41.12 41.84 2yuf n ASP 84 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2yuf n GLY 85 N -0.16 2.94 3.14 6.12 0.00 -1.26 -4.94 105.19 111.03 2yuf n GLY 85 Ca -0.03 -1.00 -0.44 0.00 0.00 0.00 0.00 46.02 44.56 2yuf n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yuf n LYS 86 N -0.33 3.95 -0.07 1.61 3.00 -1.26 -4.68 118.16 120.37 2yuf n LYS 86 Ca 0.12 -4.30 -0.11 0.00 -0.00 0.00 0.00 58.31 54.02 2yuf n LYS 86 Cb 0.89 -2.64 -0.15 0.00 0.00 0.00 0.00 35.03 33.14 2yuf n LYS 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2yuf n HIS 87 N 2.58 0.40 -0.36 5.64 8.25 -1.26 -4.97 115.22 125.49 2yuf n HIS 87 Ca 0.29 0.13 -0.30 0.00 -0.26 0.00 0.00 57.72 57.58 2yuf n HIS 87 Cb 0.36 -1.07 0.28 0.00 1.12 0.00 0.00 29.99 30.69 2yuf n HIS 87 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2yuf s LEU 88 N -5.87 -0.73 0.00 2.41 1.43 -1.26 -5.02 118.68 109.64 2yuf s LEU 88 Ca -0.11 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 2yuf s LEU 88 Cb 0.07 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.71 2yuf s LEU 88 CO 0.80 -5.17 0.00 1.07 0.23 0.00 0.00 176.35 173.28 2yuf n THR 89 N -5.52 0.00 0.03 5.49 5.66 -1.26 -5.04 114.28 113.64 2yuf n THR 89 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 2yuf n THR 89 Cb 0.58 -0.91 0.00 0.00 -1.55 0.00 0.00 70.33 68.46 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 -2.71 -0.56 0.17 1.09 7.94 -1.26 -4.68 117.00 116.99 2yuf n LEU 90 Ca 0.00 0.53 0.13 0.00 -1.11 0.00 0.00 56.01 55.56 2yuf n LEU 90 Cb 0.20 0.94 0.68 0.00 0.53 0.00 0.00 43.42 45.77 2yuf n LEU 90 CO 0.00 0.04 1.12 -0.74 -1.11 0.00 0.00 177.39 176.70 2yuf h HIS 91 N 0.00 0.00 -0.09 1.96 2.76 -1.98 -0.13 115.15 117.67 2yuf h HIS 91 Ca 0.00 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 57.94 2yuf h HIS 91 Cb 0.00 0.00 0.01 0.00 1.55 0.00 0.00 27.41 28.97 2yuf h HIS 91 CO 0.00 0.00 -0.85 0.93 -1.30 0.00 0.00 177.93 176.71 2yuf h GLU 92 N 0.00 0.68 -0.01 5.26 5.08 -1.97 -3.10 114.58 120.53 2yuf h GLU 92 Ca 0.09 -0.61 -0.15 0.00 -1.00 0.00 0.00 59.36 57.69 2yuf h GLU 92 Cb 0.38 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2yuf h GLU 92 CO -0.00 1.22 -0.70 -0.07 -1.00 0.00 0.00 179.01 178.46 2yuf h LEU 93 N 0.44 0.05 -0.70 1.33 3.38 -1.62 -3.19 115.31 115.00 2yuf h LEU 93 Ca -0.07 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2yuf h LEU 93 Cb 1.48 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 2yuf h LEU 93 CO 0.17 0.73 0.23 0.74 0.09 0.00 0.00 178.44 180.40 2yuf h THR 94 N 0.03 1.25 -0.50 0.22 2.02 -1.07 -2.66 112.91 112.20 2yuf h THR 94 Ca -0.01 -0.86 0.03 0.00 0.77 0.00 0.00 66.41 66.34 2yuf h THR 94 Cb 1.24 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 2yuf h THR 94 CO 0.09 0.34 0.28 0.58 0.37 0.00 0.00 175.52 177.18 2yuf h VAL 95 N 1.03 1.02 0.06 3.16 2.07 -1.52 0.52 116.25 122.59 2yuf h VAL 95 Ca 0.23 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 2yuf h VAL 95 Cb 0.28 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2yuf h VAL 95 CO -0.01 0.10 -0.03 0.78 0.02 0.00 0.00 177.57 178.43 2yuf h ASN 96 N 0.56 -0.08 -0.27 0.57 2.35 -1.57 0.11 115.58 117.24 2yuf h ASN 96 Ca 0.21 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.91 2yuf h ASN 96 Cb 0.06 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2yuf h ASN 96 CO -0.11 -0.06 -0.01 -0.33 -1.65 0.00 0.00 177.43 175.27 2yuf h GLU 97 N -0.09 0.49 0.03 0.81 3.07 -1.23 -2.48 114.58 115.18 2yuf h GLU 97 Ca -0.01 -0.16 0.01 0.00 -0.50 0.00 0.00 59.36 58.70 2yuf h GLU 97 Cb 0.07 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 2yuf h GLU 97 CO 0.01 0.66 -0.08 0.00 -1.40 0.00 0.00 179.01 178.20 2yuf h ALA 98 N 0.82 -0.11 -0.09 3.43 0.00 0.16 -1.44 119.26 122.03 2yuf h ALA 98 Ca 0.08 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2yuf h ALA 98 Cb 0.44 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2yuf h ALA 98 CO 0.02 -0.58 0.07 0.00 0.00 0.00 0.00 179.25 178.76 2yuf h ALA 99 N 0.80 2.01 0.38 0.00 0.00 -0.78 -0.33 119.26 121.33 2yuf h ALA 99 Ca 0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2yuf h ALA 99 Cb 0.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2yuf h ALA 99 CO -0.06 -0.12 -0.18 0.00 0.00 0.00 0.00 179.25 178.89 2yuf h ALA 100 N 1.94 -0.51 -0.69 0.00 0.00 -0.87 -2.31 119.26 116.83 2yuf h ALA 100 Ca 0.04 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2yuf h ALA 100 Cb 0.19 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2yuf h ALA 100 CO -0.00 -0.49 0.46 1.96 0.00 0.00 0.00 179.25 181.17 2yuf h GLN 101 N -1.09 0.78 -0.65 0.00 4.20 -1.11 -1.76 115.11 115.48 2yuf h GLN 101 Ca -0.05 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 2yuf h GLN 101 Cb 0.45 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2yuf h GLN 101 CO 0.08 0.52 0.08 -0.07 -0.67 0.00 0.00 178.83 178.78 2yuf h LEU 102 N 0.81 1.05 -1.09 1.46 3.38 -1.13 -2.65 115.31 117.15 2yuf h LEU 102 Ca 0.28 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2yuf h LEU 102 Cb 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2yuf h LEU 102 CO -0.08 1.05 -0.24 0.00 0.09 0.00 0.00 178.44 179.27 2yuf h VAL 104 N 0.32 0.56 -0.18 0.00 2.07 -1.09 -2.98 116.25 114.96 2yuf h VAL 104 Ca 0.05 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.20 2yuf h VAL 104 Cb 0.60 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2yuf h VAL 104 CO 0.04 0.07 0.12 0.11 0.02 0.00 0.00 177.57 177.93 2yuf h LYS 105 N -0.79 0.17 -3.58 1.57 1.79 -1.46 -3.38 116.57 110.89 2yuf h LYS 105 Ca -0.06 -0.01 -0.53 0.00 -2.18 0.00 0.00 60.65 57.88 2yuf h LYS 105 Cb 0.54 -0.04 -0.40 0.00 -1.58 0.00 0.00 32.23 30.75 2yuf h LYS 105 CO 0.09 0.11 -0.76 -0.51 -1.08 0.00 0.00 179.45 177.30 2yuf s ASP 106 N -6.86 3.04 0.33 0.86 1.11 -0.88 -5.00 116.67 109.28 2yuf s ASP 106 Ca -0.06 -0.90 0.11 0.00 0.18 0.00 0.00 52.55 51.88 2yuf s ASP 106 Cb 0.17 -0.64 0.57 0.00 1.07 0.00 0.00 42.92 44.10 2yuf s ASP 106 CO 0.69 -0.31 1.75 0.78 1.18 0.00 0.00 175.17 179.26 2yuf h ASN 107 N 8.22 0.05 -0.13 0.27 -0.26 -1.72 -2.76 115.58 119.25 2yuf h ASN 107 Ca -0.16 -0.02 0.04 0.00 -0.56 0.00 0.00 56.30 55.60 2yuf h ASN 107 Cb 1.11 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 38.35 2yuf h ASN 107 CO 0.35 0.49 0.11 0.00 -1.06 0.00 0.00 177.43 177.32 2yuf h ALA 108 N 1.51 1.94 0.00 -0.83 0.00 -1.94 -0.32 119.26 119.62 2yuf h ALA 108 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2yuf h ALA 108 Cb 0.80 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2yuf h ALA 108 CO 0.06 -0.18 -0.21 -0.07 0.00 0.00 0.00 179.25 178.84 2yuf h LEU 109 N 0.00 0.00 -1.60 0.00 3.38 -1.80 -2.47 115.31 112.83 2yuf h LEU 109 Ca 0.06 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.09 2yuf h LEU 109 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2yuf h LEU 109 CO -0.00 0.21 0.36 -0.07 0.09 0.00 0.00 178.44 179.03 2yuf h LEU 110 N 0.00 0.43 0.10 1.67 3.38 -1.20 -1.92 115.31 117.77 2yuf h LEU 110 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 2yuf h LEU 110 Cb 0.41 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2yuf h LEU 110 CO 0.03 0.28 -1.37 0.71 0.09 0.00 0.00 178.44 178.18 2yuf h THR 111 N 0.50 1.33 -3.57 0.22 1.35 -1.58 -3.43 112.91 107.72 2yuf h THR 111 Ca 0.23 -2.97 -0.63 0.00 -0.55 0.00 0.00 66.41 62.49 2yuf h THR 111 Cb 0.29 2.82 -0.13 0.00 -1.73 0.00 0.00 68.15 69.39 2yuf h THR 111 CO -0.06 0.85 0.22 -0.13 -0.25 0.00 0.00 175.52 176.14 2yuf s ARG 112 N -2.64 3.58 -0.01 4.72 1.81 -0.72 -4.91 118.95 120.77 2yuf s ARG 112 Ca -0.06 0.01 -0.01 0.00 -1.72 0.00 0.00 55.73 53.95 2yuf s ARG 112 Cb 0.07 -3.85 -0.27 0.00 -0.45 0.00 0.00 34.95 30.45 2yuf s ARG 112 CO 0.86 -0.86 0.79 -0.09 -0.68 0.00 0.00 175.30 175.31 2yuf h ARG 113 N 8.62 0.21 -0.00 3.54 2.43 -1.85 -3.16 114.38 124.17 2yuf h ARG 113 Ca -0.26 -0.36 -0.17 0.00 -0.81 0.00 0.00 59.98 58.39 2yuf h ARG 113 Cb 1.10 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 2yuf h ARG 113 CO 0.88 1.04 -0.79 -0.44 -1.51 0.00 0.00 179.97 179.15 2yuf h ASP 114 N 0.06 0.08 -0.20 -3.80 3.32 -1.93 -1.23 116.42 112.72 2yuf h ASP 114 Ca -0.26 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.61 2yuf h ASP 114 Cb 2.01 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 41.53 2yuf h ASP 114 CO 0.14 0.83 -0.33 -0.08 -1.72 0.00 0.00 179.24 178.09 2yuf h GLU 115 N 0.04 0.58 -0.01 3.56 4.81 -1.93 -2.91 114.58 118.71 2yuf h GLU 115 Ca -0.02 -0.35 -0.20 0.00 -0.13 0.00 0.00 59.36 58.66 2yuf h GLU 115 Cb 1.38 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.79 2yuf h GLU 115 CO 0.11 0.96 -0.86 1.25 -0.73 0.00 0.00 179.01 179.74 2yuf h LEU 116 N 0.25 0.37 -1.80 1.64 5.85 -1.59 -2.02 115.31 118.01 2yuf h LEU 116 Ca 0.02 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 2yuf h LEU 116 Cb 0.91 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 2yuf h LEU 116 CO 0.07 1.06 -0.05 0.15 -0.34 0.00 0.00 178.44 179.34 2yuf h PHE 117 N 0.17 0.06 0.11 1.25 3.57 -1.24 -0.50 116.94 120.37 2yuf h PHE 117 Ca -0.05 -0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.13 2yuf h PHE 117 Cb 1.47 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 2yuf h PHE 117 CO 0.04 0.12 -1.67 0.00 -2.23 0.00 0.00 178.31 174.56 2yuf h ALA 118 N 1.89 0.29 -0.37 2.41 0.00 -1.47 -3.18 119.26 118.82 2yuf h ALA 118 Ca 0.02 -1.23 0.01 0.00 0.00 0.00 0.00 54.91 53.70 2yuf h ALA 118 Cb 0.13 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2yuf h ALA 118 CO 0.01 1.03 0.24 -0.07 0.00 0.00 0.00 179.25 180.46 2yuf h LEU 119 N -0.19 0.42 -0.18 0.00 3.38 -1.17 0.33 115.31 117.89 2yuf h LEU 119 Ca -0.36 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2yuf h LEU 119 Cb 1.85 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 2yuf h LEU 119 CO 0.05 0.30 0.06 0.00 0.09 0.00 0.00 178.44 178.94 2yuf h ALA 120 N 1.14 0.24 0.00 1.53 0.00 -1.27 -2.63 119.26 118.27 2yuf h ALA 120 Ca 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2yuf h ALA 120 Cb -0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2yuf h ALA 120 CO -0.03 -0.14 -0.12 0.00 0.00 0.00 0.00 179.25 178.96 2yuf h ARG 121 N 0.12 0.00 0.41 0.00 3.08 -1.50 -2.31 114.38 114.19 2yuf h ARG 121 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2yuf h ARG 121 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2yuf h ARG 121 CO -0.00 0.12 -0.28 1.96 -1.07 0.00 0.00 179.97 180.69 2yuf h GLN 122 N 0.00 -0.65 0.00 0.04 4.20 -0.54 -2.67 115.11 115.48 2yuf h GLN 122 Ca -0.00 0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.68 2yuf h GLN 122 Cb 0.26 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2yuf h GLN 122 CO 0.02 -0.43 -0.37 0.82 -0.67 0.00 0.00 178.83 178.19 2yuf h ILE 123 N -0.68 0.88 -0.40 2.54 2.04 -1.51 -3.03 117.51 117.34 2yuf h ILE 123 Ca -0.04 -1.49 0.11 0.00 1.00 0.00 0.00 64.86 64.44 2yuf h ILE 123 Cb 0.57 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 2yuf h ILE 123 CO 0.02 0.36 0.29 0.28 0.00 0.00 0.00 178.15 179.10 2yuf h SER 124 N 0.00 0.02 0.63 1.72 0.02 -1.07 -0.59 113.55 114.28 2yuf h SER 124 Ca -0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.67 2yuf h SER 124 Cb 0.88 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 2yuf h SER 124 CO 0.05 0.01 -1.44 0.03 -1.14 0.00 0.00 176.83 174.33 2yuf h ARG 125 N 0.02 0.08 -0.42 3.45 3.08 -1.40 -3.24 114.38 115.95 2yuf h ARG 125 Ca 0.19 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 2yuf h ARG 125 Cb 0.74 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 2yuf h ARG 125 CO -0.01 0.86 -0.05 0.93 -1.07 0.00 0.00 179.97 180.63 2yuf h GLU 126 N 0.02 0.71 -0.25 0.04 3.07 -1.17 0.61 114.58 117.61 2yuf h GLU 126 Ca -0.19 -0.20 -0.17 0.00 -0.50 0.00 0.00 59.36 58.29 2yuf h GLU 126 Cb 1.94 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 29.77 2yuf h GLU 126 CO 0.12 0.76 -0.54 0.28 -1.40 0.00 0.00 179.01 178.23 2yuf h VAL 127 N 0.66 1.29 0.10 3.13 2.07 -1.41 -2.70 116.25 119.40 2yuf h VAL 127 Ca 0.12 -1.75 -0.26 0.00 0.82 0.00 0.00 66.70 65.64 2yuf h VAL 127 Cb 0.48 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2yuf h VAL 127 CO 0.02 0.56 -1.23 0.74 0.02 0.00 0.00 177.57 177.69 2yuf h THR 128 N 0.58 1.50 0.26 2.57 2.02 -1.53 -3.35 112.91 114.97 2yuf h THR 128 Ca 0.01 -3.11 -0.01 0.00 0.77 0.00 0.00 66.41 64.07 2yuf h THR 128 Cb 1.12 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 70.44 2yuf h THR 128 CO 0.11 0.90 -0.12 0.22 0.37 0.00 0.00 175.52 177.00 2yuf h TYR 129 N 0.06 -0.32 -2.72 3.16 3.20 0.22 -3.45 116.97 117.12 2yuf h TYR 129 Ca -0.12 -0.01 -0.48 0.00 3.14 0.00 0.00 58.73 61.26 2yuf h TYR 129 Cb 1.94 0.11 -0.14 0.00 1.54 0.00 0.00 36.73 40.17 2yuf h TYR 129 CO 0.05 -0.18 -0.72 0.15 -1.64 0.00 0.00 178.16 175.82 2yuf s LYS 130 N -6.03 1.44 0.05 1.82 1.02 -1.02 -5.04 119.74 111.98 2yuf s LYS 130 Ca -0.15 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.17 2yuf s LYS 130 Cb 0.05 -1.21 0.00 0.00 -0.52 0.00 0.00 37.83 36.15 2yuf s LYS 130 CO 0.64 0.15 0.00 0.66 -0.92 0.00 0.00 175.35 175.88 2yuf n TYR 131 N -0.47 -1.92 -3.61 3.18 4.01 -1.26 -4.51 117.16 112.57 2yuf n TYR 131 Ca -0.07 0.15 -0.04 0.00 -0.16 0.00 0.00 57.90 57.79 2yuf n TYR 131 Cb 0.61 0.79 -0.03 0.00 -0.31 0.00 0.00 39.34 40.41 2yuf n TYR 131 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2yuf s THR 132 N -2.00 0.00 -0.67 -0.72 -1.32 -1.26 -5.11 115.64 104.57 2yuf s THR 132 Ca 0.00 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.47 2yuf s THR 132 Cb 0.00 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 70.16 2yuf s THR 132 CO 0.00 0.00 0.48 -0.31 -2.21 0.00 0.00 174.62 172.58 2yuf s TYR 133 N -1.98 3.46 0.18 9.09 1.51 -1.26 -4.63 117.35 123.72 2yuf s TYR 133 Ca 0.09 -2.89 0.00 0.00 -1.01 0.00 0.00 57.07 53.26 2yuf s TYR 133 Cb -0.01 -3.11 0.00 0.00 -0.11 0.00 0.00 41.96 38.73 2yuf s TYR 133 CO -0.04 -0.78 0.00 2.89 -1.11 0.00 0.00 175.55 176.50 2yuf n ARG 134 N 3.10 0.00 -0.05 -0.62 -4.01 -1.26 -4.97 116.66 108.86 2yuf n ARG 134 Ca 0.11 0.00 -0.05 0.00 -1.04 0.00 0.00 57.85 56.87 2yuf n ARG 134 Cb 0.37 0.00 -0.07 0.00 -3.04 0.00 0.00 32.46 29.72 2yuf n ARG 134 CO 0.00 0.00 0.00 2.41 -3.04 0.00 0.00 177.63 177.00 2yuf n THR 135 N -3.08 0.63 -2.94 8.89 -1.04 -1.26 -5.09 114.28 110.38 2yuf n THR 135 Ca 0.00 -0.36 -0.00 0.00 -2.04 0.00 0.00 64.05 61.65 2yuf n THR 135 Cb 0.00 -0.79 -0.00 0.00 -1.82 0.00 0.00 70.33 67.72 2yuf n THR 135 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2yuf n THR 136 N -2.43 -6.93 -2.98 12.58 -2.24 -1.26 -5.01 114.28 106.01 2yuf n THR 136 Ca -0.16 1.20 -0.13 0.00 -2.27 0.00 0.00 64.05 62.70 2yuf n THR 136 Cb 0.78 -4.86 -0.02 0.00 -2.10 0.00 0.00 70.33 64.12 2yuf n THR 136 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2yuf n SER 137 N 1.19 -2.25 -0.03 3.42 3.41 -1.26 -5.04 113.62 113.07 2yuf n SER 137 Ca -0.03 -2.78 -0.02 0.00 -0.26 0.00 0.00 58.87 55.77 2yuf n SER 137 Cb 0.27 0.90 -0.01 0.00 -0.26 0.00 0.00 64.21 65.11 2yuf n SER 137 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2yuf h GLY 138 N 5.00 0.00 0.23 5.00 0.00 -2.02 -3.42 103.07 107.86 2yuf h GLY 138 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.48 2yuf h GLY 138 CO 0.19 0.00 -0.27 -2.55 0.00 0.00 0.00 176.54 173.91 2yuf h PRO 139 N -0.43 -0.33 -6.69 4.80 0.11 -2.04 -3.42 132.00 124.00 2yuf h PRO 139 Ca 0.00 0.02 -0.50 0.00 0.11 0.00 0.00 66.00 65.63 2yuf h PRO 139 Cb 0.20 0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.39 2yuf h PRO 139 CO 0.00 -0.22 -0.03 0.45 -0.21 0.00 0.00 178.00 177.99 2yuf s SER 140 N -4.96 6.38 -0.25 -2.05 0.15 -1.26 -5.10 113.70 106.60 2yuf s SER 140 Ca -0.15 0.81 -0.19 0.00 0.70 0.00 0.00 55.95 57.11 2yuf s SER 140 Cb 0.11 -2.19 0.07 0.00 -1.71 0.00 0.00 66.02 62.30 2yuf s SER 140 CO 0.67 -0.36 0.65 -0.94 1.20 0.00 0.00 173.24 174.46 2yuf s SER 141 N -3.60 -0.78 0.00 5.45 1.04 -1.26 -4.82 113.70 109.73 2yuf s SER 141 Ca 0.46 1.37 0.00 0.00 0.48 0.00 0.00 55.95 58.26 2yuf s SER 141 Cb -0.10 1.32 0.00 0.00 0.10 0.00 0.00 66.02 67.34 2yuf s SER 141 CO 0.36 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.96