#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 -8.48 0.12 1.61 7.64 -1.26 -5.04 113.62 108.20 2yuf n SER 2 Ca 0.00 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.09 2yuf n SER 2 Cb 0.00 -4.85 0.00 0.00 -1.01 0.00 0.00 64.21 58.35 2yuf n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yuf n SER 3 N -4.35 -1.95 -4.08 6.43 2.88 -1.26 -5.12 113.62 106.18 2yuf n SER 3 Ca -0.06 0.45 -0.30 0.00 -1.33 0.00 0.00 58.87 57.63 2yuf n SER 3 Cb 0.69 2.02 -0.17 0.00 -0.75 0.00 0.00 64.21 66.01 2yuf n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yuf s GLY 4 N -1.96 1.15 0.68 0.46 0.00 -1.26 -5.13 107.32 101.26 2yuf s GLY 4 Ca 0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 44.72 43.72 2yuf s GLY 4 CO 0.00 0.24 0.78 -1.14 0.00 0.00 0.00 173.10 172.98 2yuf n SER 5 N 4.32 -0.61 -3.80 1.64 3.41 -1.26 -4.99 113.62 112.33 2yuf n SER 5 Ca -0.19 -1.15 -0.23 0.00 -0.26 0.00 0.00 58.87 57.04 2yuf n SER 5 Cb 0.51 -0.64 0.14 0.00 -0.26 0.00 0.00 64.21 63.97 2yuf n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yuf n SER 6 N -3.78 0.48 0.00 4.04 7.64 -1.26 -5.11 113.62 115.63 2yuf n SER 6 Ca 0.10 -1.61 0.00 0.00 1.01 0.00 0.00 58.87 58.37 2yuf n SER 6 Cb 0.37 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 2yuf n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuf n GLY 7 N -1.95 0.69 3.66 0.23 0.00 -1.26 -5.08 105.19 101.48 2yuf n GLY 7 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 2yuf n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yuf s GLU 8 N 1.28 2.42 0.00 1.61 2.02 -1.26 -5.07 118.70 119.70 2yuf s GLU 8 Ca 0.00 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.00 2yuf s GLU 8 Cb 0.00 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.81 2yuf s GLU 8 CO 0.00 0.50 0.00 0.00 0.02 0.00 0.00 175.26 175.78 2yuf n ALA 9 N 0.26 0.55 -1.94 5.21 0.00 -1.26 -5.05 120.51 118.28 2yuf n ALA 9 Ca -0.11 -0.16 -0.26 0.00 0.00 0.00 0.00 53.44 52.91 2yuf n ALA 9 Cb 0.53 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.05 2yuf n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2yuf s LEU 10 N -4.59 2.83 0.56 0.00 1.43 -1.26 -5.05 118.68 112.60 2yuf s LEU 10 Ca 0.00 0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 53.56 2yuf s LEU 10 Cb 0.00 -3.12 0.03 0.00 0.03 0.00 0.00 46.19 43.13 2yuf s LEU 10 CO 0.00 -1.57 0.80 -1.81 0.23 0.00 0.00 176.35 173.99 2yuf s ASP 11 N -4.51 5.29 0.38 2.29 1.01 -1.26 -4.90 116.67 114.97 2yuf s ASP 11 Ca 0.60 0.10 0.11 0.00 0.71 0.00 0.00 52.55 54.08 2yuf s ASP 11 Cb -0.11 -1.01 0.77 0.00 1.01 0.00 0.00 42.92 43.58 2yuf s ASP 11 CO 0.45 -1.14 1.87 0.00 0.21 0.00 0.00 175.17 176.55 2yuf h ALA 12 N 0.02 1.45 0.05 5.23 0.00 -1.99 -0.31 119.26 123.71 2yuf h ALA 12 Ca -0.43 -0.27 -0.28 0.00 0.00 0.00 0.00 54.91 53.93 2yuf h ALA 12 Cb 1.29 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2yuf h ALA 12 CO 0.54 0.40 -1.47 0.00 0.00 0.00 0.00 179.25 178.72 2yuf h ALA 13 N 1.64 0.45 -0.10 0.00 0.00 -2.01 -3.26 119.26 115.99 2yuf h ALA 13 Ca 0.01 -1.18 -0.18 0.00 0.00 0.00 0.00 54.91 53.56 2yuf h ALA 13 Cb 0.52 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2yuf h ALA 13 CO 0.04 1.31 -0.71 0.00 0.00 0.00 0.00 179.25 179.89 2yuf h ALA 14 N 0.76 0.60 -0.07 0.00 0.00 -1.89 -3.12 119.26 115.53 2yuf h ALA 14 Ca -0.20 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.03 2yuf h ALA 14 Cb 1.95 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 2yuf h ALA 14 CO 0.13 0.75 -0.33 0.00 0.00 0.00 0.00 179.25 179.79 2yuf h ALA 15 N 0.92 1.32 -0.68 0.00 0.00 -1.18 -2.84 119.26 116.80 2yuf h ALA 15 Ca -0.03 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2yuf h ALA 15 Cb 1.28 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2yuf h ALA 15 CO 0.12 0.48 0.22 -0.07 0.00 0.00 0.00 179.25 180.01 2yuf h LEU 16 N 0.11 0.97 -1.38 0.00 3.38 -1.58 -1.58 115.31 115.22 2yuf h LEU 16 Ca 0.01 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 2yuf h LEU 16 Cb 0.65 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2yuf h LEU 16 CO 0.05 0.90 -0.30 0.28 0.09 0.00 0.00 178.44 179.46 2yuf h SER 17 N 1.00 0.02 0.19 -0.43 0.02 -1.54 0.11 113.55 112.93 2yuf h SER 17 Ca 0.22 -0.01 -0.27 0.00 -0.84 0.00 0.00 61.79 60.90 2yuf h SER 17 Cb 0.27 -0.01 0.02 0.00 0.14 0.00 0.00 62.40 62.82 2yuf h SER 17 CO -0.01 0.32 -1.11 0.58 -1.14 0.00 0.00 176.83 175.47 2yuf h VAL 18 N 0.02 1.33 0.00 2.27 2.07 -1.36 -1.94 116.25 118.64 2yuf h VAL 18 Ca 0.00 -2.45 -0.18 0.00 0.82 0.00 0.00 66.70 64.89 2yuf h VAL 18 Cb 0.54 2.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 2yuf h VAL 18 CO 0.04 0.74 -0.87 0.00 0.02 0.00 0.00 177.57 177.50 2yuf h ALA 19 N 0.46 0.56 0.02 1.67 0.00 -1.08 -1.90 119.26 118.99 2yuf h ALA 19 Ca -0.14 -0.79 -0.21 0.00 0.00 0.00 0.00 54.91 53.77 2yuf h ALA 19 Cb 1.77 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 2yuf h ALA 19 CO 0.21 1.07 -0.98 0.93 0.00 0.00 0.00 179.25 180.48 2yuf h GLU 20 N 0.01 0.05 0.24 0.00 5.08 -0.84 -2.74 114.58 116.37 2yuf h GLU 20 Ca -0.01 -0.08 -0.33 0.00 -1.00 0.00 0.00 59.36 57.94 2yuf h GLU 20 Cb 1.54 0.03 0.03 0.00 0.50 0.00 0.00 28.75 30.85 2yuf h GLU 20 CO 0.12 0.99 -1.47 0.00 -1.00 0.00 0.00 179.01 177.64 2yuf h VAL 22 N 0.14 1.33 0.00 0.00 3.04 -1.43 -2.26 116.25 117.06 2yuf h VAL 22 Ca -0.25 -1.57 -0.02 0.00 -1.01 0.00 0.00 66.70 63.86 2yuf h VAL 22 Cb 2.15 1.83 -0.00 0.00 -2.01 0.00 0.00 31.29 33.26 2yuf h VAL 22 CO 0.27 0.45 -0.24 -0.33 -1.01 0.00 0.00 177.57 176.70 2yuf h GLU 23 N 0.02 0.00 0.00 4.17 4.39 -1.56 -2.73 114.58 118.87 2yuf h GLU 23 Ca -0.00 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 2yuf h GLU 23 Cb 0.81 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.43 2yuf h GLU 23 CO 0.06 0.08 -1.16 0.00 -1.16 0.00 0.00 179.01 176.84 2yuf h ARG 24 N 0.00 0.00 0.00 2.33 3.08 -1.23 -3.33 114.38 115.23 2yuf h ARG 24 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 2yuf h ARG 24 Cb 1.07 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.10 2yuf h ARG 24 CO 0.01 0.62 -1.15 0.00 -1.07 0.00 0.00 179.97 178.38 2yuf h MET 25 N 0.00 0.00 0.09 0.04 -0.00 -1.46 -3.38 114.93 110.22 2yuf h MET 25 Ca -0.11 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.61 2yuf h MET 25 Cb 1.71 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 33.28 2yuf h MET 25 CO 0.09 0.38 -0.22 0.00 -0.00 0.00 0.00 176.91 177.16 2yuf h ALA 26 N 1.41 -0.36 -0.38 -3.00 0.00 -1.59 0.44 119.26 115.78 2yuf h ALA 26 Ca -0.11 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.85 2yuf h ALA 26 Cb 1.55 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 19.62 2yuf h ALA 26 CO 0.06 -0.75 -0.17 -1.35 0.00 0.00 0.00 179.25 177.04 2yuf h PRO 27 N -0.41 -0.09 -0.03 0.00 0.11 -1.73 -1.15 132.00 128.70 2yuf h PRO 27 Ca 0.03 0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.03 2yuf h PRO 27 Cb 0.44 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 2yuf h PRO 27 CO -0.14 -0.06 -0.53 0.00 -0.21 0.00 0.00 178.00 177.06 2yuf h THR 28 N -0.10 1.37 -3.82 -1.15 1.03 -1.69 -3.44 112.91 105.11 2yuf h THR 28 Ca 0.19 -1.81 -0.51 0.00 -0.01 0.00 0.00 66.41 64.27 2yuf h THR 28 Cb 0.39 1.94 0.04 0.00 -1.07 0.00 0.00 68.15 69.44 2yuf h THR 28 CO -0.45 0.52 0.55 -0.76 -0.01 0.00 0.00 175.52 175.38 2yuf s LEU 29 N -7.91 4.49 0.85 0.00 1.43 0.15 -5.03 118.68 112.66 2yuf s LEU 29 Ca -0.03 2.46 -0.12 0.00 -1.03 0.00 0.00 54.13 55.41 2yuf s LEU 29 Cb 0.13 -3.64 0.10 0.00 0.03 0.00 0.00 46.19 42.81 2yuf s LEU 29 CO 0.76 -0.33 1.12 -2.16 0.23 0.00 0.00 176.35 175.97 2yuf s PRO 30 N -1.53 1.67 0.49 1.29 0.04 -1.26 -4.87 135.00 130.83 2yuf s PRO 30 Ca 0.47 0.45 0.01 0.00 0.04 0.00 0.00 61.00 61.96 2yuf s PRO 30 Cb -0.35 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.31 2yuf s PRO 30 CO 0.46 -1.86 0.72 -1.59 0.04 0.00 0.00 177.00 174.76 2yuf s LYS 31 N -5.24 2.85 -0.05 4.56 -2.85 -1.26 -5.07 119.74 112.67 2yuf s LYS 31 Ca 0.62 -0.60 0.01 0.00 -1.00 0.00 0.00 55.97 55.00 2yuf s LYS 31 Cb -0.14 -2.53 -0.03 0.00 -2.06 0.00 0.00 37.83 33.07 2yuf s LYS 31 CO 0.53 -0.46 -0.06 -1.12 0.10 0.00 0.00 175.35 174.34 2yuf s SER 32 N -4.30 4.69 -0.43 0.03 0.01 -1.26 -5.06 113.70 107.38 2yuf s SER 32 Ca 0.52 -0.04 -0.28 0.00 1.31 0.00 0.00 55.95 57.46 2yuf s SER 32 Cb -0.10 -1.17 -0.02 0.00 0.21 0.00 0.00 66.02 64.94 2yuf s SER 32 CO 0.38 0.34 1.86 -1.81 0.41 0.00 0.00 173.24 174.42 2yuf s ASP 33 N -0.98 5.59 0.20 2.44 1.01 -1.26 -4.84 116.67 118.84 2yuf s ASP 33 Ca 0.14 0.97 0.06 0.00 0.71 0.00 0.00 52.55 54.44 2yuf s ASP 33 Cb -0.11 -2.53 0.11 0.00 1.01 0.00 0.00 42.92 41.40 2yuf s ASP 33 CO 0.03 -2.00 1.46 -0.07 0.21 0.00 0.00 175.17 174.80 2yuf h LEU 34 N 14.96 0.11 -0.67 1.23 3.38 -1.99 -2.85 115.31 129.47 2yuf h LEU 34 Ca -0.30 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.44 2yuf h LEU 34 Cb 1.17 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2yuf h LEU 34 CO 1.10 0.85 -0.58 -1.13 0.09 0.00 0.00 178.44 178.77 2yuf h ASN 35 N 0.05 0.29 0.23 -0.43 -1.24 -2.00 -2.31 115.58 110.18 2yuf h ASN 35 Ca -0.02 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 56.82 2yuf h ASN 35 Cb 1.37 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.34 2yuf h ASN 35 CO 0.11 0.81 -0.11 -0.08 -1.29 0.00 0.00 177.43 176.86 2yuf h GLU 36 N 0.20 -0.30 -0.04 6.67 4.81 -1.95 -3.18 114.58 120.78 2yuf h GLU 36 Ca -0.00 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2yuf h GLU 36 Cb 1.08 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 2yuf h GLU 36 CO 0.09 0.08 0.04 -0.39 -0.73 0.00 0.00 179.01 178.10 2yuf h VAL 37 N -0.86 0.70 0.42 0.32 -1.51 -1.57 -2.79 116.25 110.95 2yuf h VAL 37 Ca -0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.43 2yuf h VAL 37 Cb 0.51 0.97 -0.02 0.00 -2.13 0.00 0.00 31.29 30.62 2yuf h VAL 37 CO 0.05 0.00 -0.36 0.11 -1.23 0.00 0.00 177.57 176.14 2yuf h LYS 38 N 0.00 -0.75 -0.17 5.19 1.57 -1.39 -1.99 116.57 119.02 2yuf h LYS 38 Ca 0.02 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2yuf h LYS 38 Cb 0.10 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2yuf h LYS 38 CO -0.00 -0.50 0.12 0.93 -0.57 0.00 0.00 179.45 179.43 2yuf h GLU 39 N -0.78 0.09 -0.06 3.15 5.08 -1.53 -0.69 114.58 119.83 2yuf h GLU 39 Ca -0.04 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2yuf h GLU 39 Cb 0.69 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2yuf h GLU 39 CO -0.03 0.06 -0.17 -0.07 -1.00 0.00 0.00 179.01 177.80 2yuf h LEU 40 N 0.09 0.09 0.10 1.33 3.38 -1.29 -2.55 115.31 116.46 2yuf h LEU 40 Ca 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2yuf h LEU 40 Cb 0.19 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2yuf h LEU 40 CO -0.01 0.27 -0.05 -0.07 0.09 0.00 0.00 178.44 178.67 2yuf h LEU 41 N 0.09 -0.12 -2.33 1.67 3.38 -0.61 -1.20 115.31 116.19 2yuf h LEU 41 Ca 0.02 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.66 2yuf h LEU 41 Cb 0.36 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2yuf h LEU 41 CO 0.02 0.30 0.06 0.11 0.09 0.00 0.00 178.44 179.02 2yuf h LYS 42 N -0.55 0.00 0.08 1.13 6.56 -1.48 -1.30 116.57 121.01 2yuf h LYS 42 Ca -0.01 0.00 -0.27 0.00 -1.06 0.00 0.00 60.65 59.31 2yuf h LYS 42 Cb 0.45 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.10 2yuf h LYS 42 CO 0.02 0.00 -1.30 1.79 -2.06 0.00 0.00 179.45 177.90 2yuf h THR 43 N 0.00 1.40 -1.02 -0.16 1.35 -1.32 -3.47 112.91 109.70 2yuf h THR 43 Ca 0.03 -3.05 -0.48 0.00 -0.55 0.00 0.00 66.41 62.35 2yuf h THR 43 Cb 0.14 2.82 0.01 0.00 -1.73 0.00 0.00 68.15 69.39 2yuf h THR 43 CO -0.00 0.86 -0.19 0.20 -0.25 0.00 0.00 175.52 176.14 2yuf s ASN 44 N -6.90 5.21 0.00 5.36 -0.87 -0.47 -5.07 114.94 112.20 2yuf s ASN 44 Ca -0.04 -0.76 0.00 0.00 -1.57 0.00 0.00 52.86 50.49 2yuf s ASN 44 Cb 0.08 -0.05 0.00 0.00 -0.02 0.00 0.00 41.25 41.26 2yuf s ASN 44 CO 0.85 -1.08 0.00 0.29 -2.57 0.00 0.00 177.10 174.59 2yuf n LYS 45 N -2.01 0.00 -0.34 -0.60 5.02 -1.26 -4.52 118.16 114.44 2yuf n LYS 45 Ca 0.10 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.38 2yuf n LYS 45 Cb 0.61 -0.28 0.14 0.00 -0.02 0.00 0.00 35.03 35.48 2yuf n LYS 45 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2yuf h LYS 46 N 0.00 1.25 0.00 1.97 1.57 -1.97 0.89 116.57 120.28 2yuf h LYS 46 Ca 0.00 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.52 2yuf h LYS 46 Cb 0.55 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2yuf h LYS 46 CO 0.00 0.83 -0.85 -0.07 -0.57 0.00 0.00 179.45 178.78 2yuf h LEU 47 N 1.29 0.09 -0.39 2.94 3.38 -1.94 -0.54 115.31 120.13 2yuf h LEU 47 Ca 0.35 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 58.07 2yuf h LEU 47 Cb -0.13 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2yuf h LEU 47 CO -0.08 0.89 -0.62 0.00 0.09 0.00 0.00 178.44 178.72 2yuf h ALA 48 N 1.10 0.57 0.03 1.53 0.00 -1.61 -1.95 119.26 118.92 2yuf h ALA 48 Ca -0.02 -0.55 -0.25 0.00 0.00 0.00 0.00 54.91 54.09 2yuf h ALA 48 Cb 1.49 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 2yuf h ALA 48 CO 0.12 0.70 -1.29 0.87 0.00 0.00 0.00 179.25 179.65 2yuf h LYS 49 N 0.46 0.06 0.14 0.00 6.56 -0.87 -1.41 116.57 121.50 2yuf h LYS 49 Ca -0.01 -0.10 -0.01 0.00 -1.06 0.00 0.00 60.65 59.47 2yuf h LYS 49 Cb 1.20 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 2yuf h LYS 49 CO 0.12 0.90 -0.07 1.98 -2.06 0.00 0.00 179.45 180.33 2yuf h MET 50 N 0.02 -0.18 -0.24 3.15 4.05 -1.10 -3.41 114.93 117.21 2yuf h MET 50 Ca -0.13 0.01 -0.22 0.00 -0.28 0.00 0.00 59.70 59.08 2yuf h MET 50 Cb 1.89 0.04 -0.35 0.00 -0.80 0.00 0.00 31.60 32.38 2yuf h MET 50 CO 0.13 -0.12 -0.97 0.44 0.23 0.00 0.00 176.91 176.62 2yuf n ILE 51 N -2.70 1.05 0.03 1.77 -5.35 -0.93 -4.86 119.36 108.38 2yuf n ILE 51 Ca -0.02 -2.37 -0.22 0.00 -0.27 0.00 0.00 62.75 59.86 2yuf n ILE 51 Cb 0.07 0.68 -0.14 0.00 -1.74 0.00 0.00 39.64 38.52 2yuf n ILE 51 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2yuf h GLY 52 N 1.72 0.34 1.83 3.28 0.00 -0.50 -3.33 103.07 106.40 2yuf h GLY 52 Ca -0.09 -0.87 0.02 0.00 0.00 0.00 0.00 47.33 46.39 2yuf h GLY 52 CO 0.20 0.76 0.06 1.12 0.00 0.00 0.00 176.54 178.68 2yuf h HIS 53 N -0.21 0.00 -0.16 5.60 2.07 -1.85 -0.92 115.15 119.68 2yuf h HIS 53 Ca -0.29 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.11 2yuf h HIS 53 Cb 1.83 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.80 2yuf h HIS 53 CO 0.13 0.00 -0.43 0.82 -3.07 0.00 0.00 177.93 175.38 2yuf h ILE 54 N 0.00 1.31 -0.32 6.12 2.04 -1.91 -0.85 117.51 123.91 2yuf h ILE 54 Ca 0.04 -1.59 -0.12 0.00 1.00 0.00 0.00 64.86 64.18 2yuf h ILE 54 Cb 0.16 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2yuf h ILE 54 CO -0.00 0.49 -0.29 -0.26 0.00 0.00 0.00 178.15 178.08 2yuf h PHE 55 N 0.31 0.90 -0.04 1.37 0.04 -1.28 -3.13 116.94 115.11 2yuf h PHE 55 Ca 0.02 -0.26 -0.15 0.00 2.80 0.00 0.00 57.97 60.38 2yuf h PHE 55 Cb 0.89 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 2yuf h PHE 55 CO 0.02 1.03 -0.67 0.93 -0.60 0.00 0.00 178.31 179.02 2yuf h GLU 56 N 0.52 0.17 -6.99 1.51 5.08 -1.44 -3.45 114.58 109.98 2yuf h GLU 56 Ca 0.05 -0.13 -0.38 0.00 -1.00 0.00 0.00 59.36 57.90 2yuf h GLU 56 Cb 0.86 0.03 0.22 0.00 0.50 0.00 0.00 28.75 30.36 2yuf h GLU 56 CO 0.07 0.77 -0.15 1.41 -1.00 0.00 0.00 179.01 180.12 2yuf s MET 57 N -3.60 -3.05 0.50 2.33 1.75 -0.33 -5.04 119.30 111.86 2yuf s MET 57 Ca -0.03 0.23 -0.03 0.00 -1.25 0.00 0.00 55.69 54.62 2yuf s MET 57 Cb 0.12 -1.35 0.10 0.00 2.84 0.00 0.00 34.83 36.54 2yuf s MET 57 CO 0.80 -4.98 0.68 -1.71 -0.65 0.00 0.00 175.02 169.16 2yuf n ASN 58 N -5.72 0.67 -0.12 1.11 4.05 -1.26 -5.00 115.26 108.99 2yuf n ASN 58 Ca 0.12 -1.63 -0.19 0.00 0.45 0.00 0.00 54.58 53.33 2yuf n ASN 58 Cb 0.60 -0.47 -0.12 0.00 1.23 0.00 0.00 39.78 41.02 2yuf n ASN 58 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2yuf n ASP 59 N -3.08 1.99 -3.21 1.20 8.00 -1.26 -4.54 116.55 115.65 2yuf n ASP 59 Ca 0.10 -0.07 -0.36 0.00 0.71 0.00 0.00 54.79 55.17 2yuf n ASP 59 Cb 0.37 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 2yuf n ASP 59 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2yuf n ASP 60 N -3.36 7.76 -3.86 -2.24 9.92 -1.26 -4.86 116.55 118.65 2yuf n ASP 60 Ca -0.45 -3.04 -0.27 0.00 -0.53 0.00 0.00 54.79 50.50 2yuf n ASP 60 Cb 0.98 -1.37 -0.17 0.00 -0.64 0.00 0.00 41.12 39.92 2yuf n ASP 60 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2yuf s ASP 61 N 0.72 2.35 0.57 -2.24 2.15 -1.26 -5.01 116.67 113.94 2yuf s ASP 61 Ca 0.58 -0.43 0.30 0.00 0.43 0.00 0.00 52.55 53.43 2yuf s ASP 61 Cb 0.23 -0.76 1.46 0.00 -0.30 0.00 0.00 42.92 43.55 2yuf s ASP 61 CO -0.11 -0.17 1.88 -0.65 -0.17 0.00 0.00 175.17 175.95 2yuf h PRO 62 N 8.19 0.00 -0.04 4.34 0.11 -1.98 0.29 132.00 142.92 2yuf h PRO 62 Ca -0.24 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.76 2yuf h PRO 62 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2yuf h PRO 62 CO 0.37 0.00 -0.44 0.45 -0.21 0.00 0.00 178.00 178.16 2yuf h HIS 63 N 0.00 0.11 0.53 0.65 3.86 -1.97 -2.96 115.15 115.37 2yuf h HIS 63 Ca 0.31 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.46 2yuf h HIS 63 Cb 1.43 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.88 2yuf h HIS 63 CO 0.00 0.52 -0.26 -0.22 0.86 0.00 0.00 177.93 178.83 2yuf h LYS 64 N 0.08 -0.70 -0.18 2.45 3.64 -0.76 -0.45 116.57 120.65 2yuf h LYS 64 Ca 0.00 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2yuf h LYS 64 Cb 0.82 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 2yuf h LYS 64 CO 0.06 -0.47 0.12 0.93 -2.27 0.00 0.00 179.45 177.83 2yuf h GLU 65 N -0.72 0.15 -0.01 1.90 3.07 -1.60 0.61 114.58 117.97 2yuf h GLU 65 Ca -0.07 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.64 2yuf h GLU 65 Cb 0.56 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 2yuf h GLU 65 CO 0.11 0.10 -0.64 0.93 -1.40 0.00 0.00 179.01 178.11 2yuf h GLU 66 N 0.15 0.03 0.11 2.33 4.39 -1.27 0.80 114.58 121.11 2yuf h GLU 66 Ca 0.08 -0.02 -0.29 0.00 0.34 0.00 0.00 59.36 59.47 2yuf h GLU 66 Cb 0.12 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2yuf h GLU 66 CO -0.01 0.66 -1.41 0.93 -1.16 0.00 0.00 179.01 178.02 2yuf h GLU 67 N 0.02 0.24 0.08 2.33 4.39 0.42 -3.14 114.58 118.92 2yuf h GLU 67 Ca -0.01 -0.41 -0.17 0.00 0.34 0.00 0.00 59.36 59.12 2yuf h GLU 67 Cb 1.13 0.15 0.02 0.00 -0.10 0.00 0.00 28.75 29.95 2yuf h GLU 67 CO 0.08 1.13 -0.70 0.82 -1.16 0.00 0.00 179.01 179.18 2yuf h ILE 68 N 0.07 1.49 -0.24 3.13 2.04 -0.93 -2.33 117.51 120.73 2yuf h ILE 68 Ca -0.19 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.32 2yuf h ILE 68 Cb 1.99 2.98 -0.01 0.00 -0.74 0.00 0.00 36.82 41.03 2yuf h ILE 68 CO 0.17 0.67 0.16 0.03 0.00 0.00 0.00 178.15 179.18 2yuf h ARG 69 N -0.29 0.30 0.15 2.37 3.08 -0.99 0.74 114.38 119.74 2yuf h ARG 69 Ca -0.11 -0.02 -0.24 0.00 0.07 0.00 0.00 59.98 59.68 2yuf h ARG 69 Cb 1.49 -0.07 0.03 0.00 0.08 0.00 0.00 29.97 31.50 2yuf h ARG 69 CO 0.13 0.20 -1.04 -0.22 -1.07 0.00 0.00 179.97 177.97 2yuf h LYS 70 N 0.31 0.44 -0.02 0.04 3.64 -1.60 -3.31 116.57 116.06 2yuf h LYS 70 Ca 0.09 -0.67 -0.15 0.00 -1.27 0.00 0.00 60.65 58.65 2yuf h LYS 70 Cb -0.02 0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2yuf h LYS 70 CO -0.02 1.31 -0.66 1.88 -2.27 0.00 0.00 179.45 179.68 2yuf h TYR 71 N -0.09 0.14 -0.37 1.91 0.05 -0.97 -3.38 116.97 114.25 2yuf h TYR 71 Ca -0.17 -0.06 -0.45 0.00 0.05 0.00 0.00 58.73 58.10 2yuf h TYR 71 Cb 1.79 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 39.49 2yuf h TYR 71 CO 0.16 0.73 1.53 0.43 -1.05 0.00 0.00 178.16 179.96 2yuf n SER 72 N -3.79 3.11 -3.68 3.88 7.64 0.25 -4.83 113.62 116.20 2yuf n SER 72 Ca -0.02 -2.72 -0.20 0.00 1.01 0.00 0.00 58.87 56.95 2yuf n SER 72 Cb 0.65 -1.58 -0.18 0.00 -1.01 0.00 0.00 64.21 62.10 2yuf n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yuf s ALA 73 N 8.76 0.24 -0.09 -0.43 0.00 -1.26 -4.69 121.76 124.28 2yuf s ALA 73 Ca 0.64 0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.85 2yuf s ALA 73 Cb 0.04 -0.60 -0.10 0.00 0.00 0.00 0.00 23.12 22.46 2yuf s ALA 73 CO 0.12 -0.46 0.00 -0.89 0.00 0.00 0.00 175.76 174.53 2yuf n ILE 74 N 5.22 0.59 0.03 0.00 5.41 -1.26 -4.92 119.36 124.42 2yuf n ILE 74 Ca -0.05 -0.33 -0.00 0.00 1.00 0.00 0.00 62.75 63.37 2yuf n ILE 74 Cb 0.50 -0.80 -0.00 0.00 -0.71 0.00 0.00 39.64 38.63 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 -2.43 0.00 -0.46 1.39 4.01 -1.26 -5.08 117.16 113.33 2yuf n TYR 75 Ca -0.15 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.30 2yuf n TYR 75 Cb 0.76 -0.01 0.25 0.00 -0.31 0.00 0.00 39.34 40.03 2yuf n TYR 75 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2yuf n GLY 76 N 3.43 -2.56 0.82 2.72 0.00 -1.26 -4.94 105.19 103.41 2yuf n GLY 76 Ca -0.00 -1.21 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 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 -4.51 1.64 -1.28 1.61 3.00 -1.26 -4.91 116.66 110.94 2yuf n ARG 77 Ca 0.04 -0.82 0.03 0.00 -0.00 0.00 0.00 57.85 57.10 2yuf n ARG 77 Cb 0.56 0.19 0.10 0.00 0.00 0.00 0.00 32.46 33.31 2yuf n ARG 77 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 2yuf n PHE 78 N -0.39 0.26 -3.60 -0.14 -1.74 -1.26 -5.03 117.46 105.56 2yuf n PHE 78 Ca -0.04 -1.11 -0.02 0.00 -0.56 0.00 0.00 57.45 55.71 2yuf n PHE 78 Cb 0.14 -0.21 -0.05 0.00 1.52 0.00 0.00 39.48 40.88 2yuf n PHE 78 CO 0.00 0.00 0.00 0.16 -0.56 0.00 0.00 176.76 176.36 2yuf s ASP 79 N -2.71 -0.85 -0.37 5.98 -4.77 -1.26 -5.14 116.67 107.55 2yuf s ASP 79 Ca 0.36 1.25 -0.14 0.00 -3.30 0.00 0.00 52.55 50.72 2yuf s ASP 79 Cb 0.38 1.71 -0.00 0.00 -1.09 0.00 0.00 42.92 43.92 2yuf s ASP 79 CO -0.11 -0.19 0.27 -0.55 0.70 0.00 0.00 175.17 175.29 2yuf s SER 80 N 2.16 6.08 0.10 2.11 0.15 -1.26 -5.06 113.70 117.98 2yuf s SER 80 Ca -0.07 -0.63 0.03 0.00 0.70 0.00 0.00 55.95 55.98 2yuf s SER 80 Cb -0.07 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 62.05 2yuf s SER 80 CO -0.18 -0.33 -0.09 -0.54 1.20 0.00 0.00 173.24 173.30 2yuf s LYS 81 N 1.71 0.84 1.22 5.44 -0.14 -1.26 -5.01 119.74 122.54 2yuf s LYS 81 Ca 0.06 -1.22 0.00 0.00 -1.36 0.00 0.00 55.97 53.45 2yuf s LYS 81 Cb -0.18 -0.41 0.00 0.00 -1.68 0.00 0.00 37.83 35.56 2yuf s LYS 81 CO 0.10 0.05 0.00 0.54 -0.76 0.00 0.00 175.35 175.28 2yuf n ARG 82 N 0.35 -1.38 -1.23 1.68 1.74 -1.26 -4.02 116.66 112.54 2yuf n ARG 82 Ca -0.15 0.91 -0.25 0.00 -0.77 0.00 0.00 57.85 57.59 2yuf n ARG 82 Cb 0.59 -1.68 0.16 0.00 -1.02 0.00 0.00 32.46 30.51 2yuf n ARG 82 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2yuf n LYS 83 N -3.07 2.30 -2.68 5.56 5.02 -1.26 -4.96 118.16 119.07 2yuf n LYS 83 Ca 0.00 -3.01 -0.22 0.00 -2.02 0.00 0.00 58.31 53.06 2yuf n LYS 83 Cb 0.31 -2.18 0.09 0.00 -0.02 0.00 0.00 35.03 33.23 2yuf n LYS 83 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2yuf s ASP 84 N -1.35 4.64 0.00 4.39 1.01 -1.26 -5.04 116.67 119.07 2yuf s ASP 84 Ca 0.57 -0.40 0.00 0.00 0.71 0.00 0.00 52.55 53.43 2yuf s ASP 84 Cb 0.48 -0.09 0.00 0.00 1.01 0.00 0.00 42.92 44.32 2yuf s ASP 84 CO 0.09 -1.64 0.00 0.61 0.21 0.00 0.00 175.17 174.44 2yuf n GLY 85 N -2.64 0.00 3.18 0.21 0.00 -1.26 -4.95 105.19 99.73 2yuf n GLY 85 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2yuf n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yuf s LYS 86 N 0.00 3.15 0.00 1.61 2.20 -1.26 -4.62 119.74 120.82 2yuf s LYS 86 Ca 0.00 -2.75 0.00 0.00 -0.36 0.00 0.00 55.97 52.86 2yuf s LYS 86 Cb 0.00 -4.04 0.00 0.00 -1.51 0.00 0.00 37.83 32.28 2yuf s LYS 86 CO 0.00 -1.23 0.00 -2.39 -0.36 0.00 0.00 175.35 171.37 2yuf n HIS 87 N 3.27 -1.21 -5.09 4.03 1.44 -1.26 -5.12 115.22 111.29 2yuf n HIS 87 Ca 0.14 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.53 2yuf n HIS 87 Cb 0.40 0.32 -0.16 0.00 0.12 0.00 0.00 29.99 30.68 2yuf n HIS 87 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2yuf s LEU 88 N -4.29 2.32 0.00 2.39 1.43 -1.26 -4.72 118.68 114.55 2yuf s LEU 88 Ca 0.00 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 2yuf s LEU 88 Cb 0.00 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.76 2yuf s LEU 88 CO 0.00 0.22 0.00 1.07 0.23 0.00 0.00 176.35 177.87 2yuf n THR 89 N 3.13 0.00 0.00 5.49 5.66 -1.26 -5.00 114.28 122.30 2yuf n THR 89 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 2yuf n THR 89 Cb 0.52 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.51 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 -2.57 0.00 -0.03 1.09 7.94 -1.26 -4.96 117.00 117.21 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 0.40 0.10 -0.09 0.00 0.53 0.00 0.00 43.42 44.36 2yuf n LEU 90 CO 0.00 -0.10 0.63 -0.74 -1.11 0.00 0.00 177.39 176.08 2yuf h HIS 91 N 0.00 0.18 -0.14 1.96 2.76 -1.97 -3.08 115.15 114.87 2yuf h HIS 91 Ca 0.00 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.11 2yuf h HIS 91 Cb 0.00 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 2yuf h HIS 91 CO 0.00 0.58 0.05 0.93 -1.30 0.00 0.00 177.93 178.20 2yuf h GLU 92 N -0.27 0.19 -0.25 5.26 3.07 -1.94 -1.40 114.58 119.25 2yuf h GLU 92 Ca 0.01 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 2yuf h GLU 92 Cb 0.55 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 2yuf h GLU 92 CO 0.01 0.16 -0.03 -0.07 -1.40 0.00 0.00 179.01 177.69 2yuf h LEU 93 N 0.19 0.35 0.24 1.33 3.38 -1.91 -2.29 115.31 116.60 2yuf h LEU 93 Ca 0.05 -0.06 -0.33 0.00 0.09 0.00 0.00 57.88 57.63 2yuf h LEU 93 Cb 0.05 -0.09 0.03 0.00 0.09 0.00 0.00 40.66 40.74 2yuf h LEU 93 CO -0.01 0.43 -1.49 0.74 0.09 0.00 0.00 178.44 178.20 2yuf h THR 94 N 0.36 1.27 -0.10 0.22 2.02 -1.22 -3.29 112.91 112.17 2yuf h THR 94 Ca 0.08 -2.72 0.00 0.00 0.77 0.00 0.00 66.41 64.54 2yuf h THR 94 Cb 0.29 3.01 -0.01 0.00 -1.74 0.00 0.00 68.15 69.70 2yuf h THR 94 CO 0.01 0.82 0.07 0.58 0.37 0.00 0.00 175.52 177.37 2yuf h VAL 95 N 0.14 1.03 0.66 3.16 2.07 -1.13 0.48 116.25 122.65 2yuf h VAL 95 Ca -0.25 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2yuf h VAL 95 Cb 2.15 0.88 0.01 0.00 -1.52 0.00 0.00 31.29 32.80 2yuf h VAL 95 CO 0.26 0.03 -0.32 0.78 0.02 0.00 0.00 177.57 178.34 2yuf h ASN 96 N 0.14 -0.75 0.57 0.57 2.35 -1.48 -2.46 115.58 114.52 2yuf h ASN 96 Ca 0.04 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.64 2yuf h ASN 96 Cb -0.01 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 2yuf h ASN 96 CO -0.01 -0.44 -0.64 -0.33 -1.65 0.00 0.00 177.43 174.36 2yuf h GLU 97 N -1.04 0.06 -0.11 0.81 5.08 -1.60 -1.10 114.58 116.68 2yuf h GLU 97 Ca -0.09 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2yuf h GLU 97 Cb 0.72 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2yuf h GLU 97 CO 0.15 0.68 0.08 0.00 -1.00 0.00 0.00 179.01 178.92 2yuf h ALA 98 N 1.31 2.01 0.01 3.43 0.00 0.00 -1.74 119.26 124.28 2yuf h ALA 98 Ca -0.01 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.54 2yuf h ALA 98 Cb 1.14 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 2yuf h ALA 98 CO 0.09 -0.03 -2.26 0.00 0.00 0.00 0.00 179.25 177.05 2yuf n ALA 99 N -2.54 1.45 -0.02 0.00 0.00 -0.93 -4.07 120.51 114.41 2yuf n ALA 99 Ca -0.01 -1.15 0.03 0.00 0.00 0.00 0.00 53.44 52.31 2yuf n ALA 99 Cb 0.14 -0.32 0.39 0.00 0.00 0.00 0.00 19.45 19.67 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 0.77 1.64 -0.02 0.00 0.00 -0.86 -0.94 119.26 119.87 2yuf h ALA 100 Ca -0.50 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.19 2yuf h ALA 100 Cb 2.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 2yuf h ALA 100 CO 0.02 0.31 -0.74 1.96 0.00 0.00 0.00 179.25 180.81 2yuf h GLN 101 N 0.59 0.12 -0.14 0.00 4.20 -1.51 -3.19 115.11 115.17 2yuf h GLN 101 Ca 0.16 -0.10 -0.21 0.00 0.06 0.00 0.00 58.65 58.55 2yuf h GLN 101 Cb -0.02 0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.79 2yuf h GLN 101 CO -0.03 0.80 -0.75 -0.07 -0.67 0.00 0.00 178.83 178.11 2yuf h LEU 102 N 0.08 0.82 -1.89 1.46 3.38 -1.47 -3.11 115.31 114.57 2yuf h LEU 102 Ca -0.02 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2yuf h LEU 102 Cb 1.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2yuf h LEU 102 CO 0.11 1.31 0.08 0.00 0.09 0.00 0.00 178.44 180.03 2yuf h VAL 104 N 0.15 0.00 -0.19 0.00 2.07 -1.53 -2.61 116.25 114.15 2yuf h VAL 104 Ca 0.05 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 2yuf h VAL 104 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 2yuf h VAL 104 CO -0.01 0.00 -0.09 0.11 0.02 0.00 0.00 177.57 177.60 2yuf h LYS 105 N -0.74 0.29 -3.40 1.57 1.79 -1.61 -3.34 116.57 111.12 2yuf h LYS 105 Ca -0.07 -0.06 -0.65 0.00 -2.18 0.00 0.00 60.65 57.68 2yuf h LYS 105 Cb 0.56 -0.04 -0.40 0.00 -1.58 0.00 0.00 32.23 30.77 2yuf h LYS 105 CO 0.12 0.40 -0.58 -0.51 -1.08 0.00 0.00 179.45 177.80 2yuf s ASP 106 N -6.85 4.48 0.53 0.86 1.01 0.14 -4.93 116.67 111.91 2yuf s ASP 106 Ca -0.06 -3.02 0.27 0.00 0.71 0.00 0.00 52.55 50.45 2yuf s ASP 106 Cb 0.16 -1.68 1.49 0.00 1.01 0.00 0.00 42.92 43.90 2yuf s ASP 106 CO 0.74 -0.25 2.10 -1.13 0.21 0.00 0.00 175.17 176.84 2yuf h ASN 107 N 6.55 0.00 0.55 0.27 -0.73 -1.60 -1.97 115.58 118.65 2yuf h ASN 107 Ca -0.06 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 57.99 2yuf h ASN 107 Cb 0.90 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.47 2yuf h ASN 107 CO 0.69 0.10 -0.56 0.00 -0.37 0.00 0.00 177.43 177.30 2yuf h ALA 108 N 1.90 1.07 -0.09 1.57 0.00 -1.92 -2.92 119.26 118.88 2yuf h ALA 108 Ca -0.00 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.42 2yuf h ALA 108 Cb 0.27 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2yuf h ALA 108 CO 0.01 0.70 0.11 -0.07 0.00 0.00 0.00 179.25 180.00 2yuf h LEU 109 N 0.01 0.00 -1.57 0.00 3.38 -1.68 -1.32 115.31 114.13 2yuf h LEU 109 Ca -0.01 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.05 2yuf h LEU 109 Cb 0.99 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 2yuf h LEU 109 CO 0.07 0.00 0.42 -0.07 0.09 0.00 0.00 178.44 178.95 2yuf h LEU 110 N 0.00 0.44 0.21 1.67 3.38 -1.64 -2.14 115.31 117.23 2yuf h LEU 110 Ca 0.04 0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.68 2yuf h LEU 110 Cb 0.26 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 40.95 2yuf h LEU 110 CO -0.00 0.27 -1.57 0.71 0.09 0.00 0.00 178.44 177.94 2yuf h THR 111 N 0.50 1.16 -2.54 0.22 1.35 -1.45 -3.42 112.91 108.72 2yuf h THR 111 Ca 0.28 -2.66 -0.54 0.00 -0.55 0.00 0.00 66.41 62.94 2yuf h THR 111 Cb 0.46 2.91 -0.07 0.00 -1.73 0.00 0.00 68.15 69.72 2yuf h THR 111 CO -0.08 0.83 1.08 -0.13 -0.25 0.00 0.00 175.52 176.97 2yuf s ARG 112 N -2.60 3.21 -0.07 4.72 1.81 -0.81 -4.85 118.95 120.36 2yuf s ARG 112 Ca -0.11 0.04 -0.22 0.00 -1.72 0.00 0.00 55.73 53.72 2yuf s ARG 112 Cb 0.05 -4.16 -0.30 0.00 -0.45 0.00 0.00 34.95 30.09 2yuf s ARG 112 CO 0.90 -2.09 0.80 -0.09 -0.68 0.00 0.00 175.30 174.14 2yuf h ARG 113 N 10.60 0.24 -0.24 3.54 1.12 -1.83 -2.93 114.38 124.87 2yuf h ARG 113 Ca -0.27 -0.41 0.02 0.00 -1.11 0.00 0.00 59.98 58.21 2yuf h ARG 113 Cb 1.07 0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 31.16 2yuf h ARG 113 CO 1.24 1.19 0.11 0.22 -3.11 0.00 0.00 179.97 179.62 2yuf h ASP 114 N -0.47 0.15 0.12 -3.80 3.58 -1.95 0.55 116.42 114.60 2yuf h ASP 114 Ca -0.15 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.30 2yuf h ASP 114 Cb 1.56 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.60 2yuf h ASP 114 CO 0.10 0.12 -0.06 -0.08 -2.88 0.00 0.00 179.24 176.44 2yuf h GLU 115 N 0.23 -0.16 -0.02 0.28 4.81 -1.95 -2.15 114.58 115.61 2yuf h GLU 115 Ca 0.10 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 2yuf h GLU 115 Cb 0.04 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2yuf h GLU 115 CO -0.08 -0.02 -0.22 1.25 -0.73 0.00 0.00 179.01 179.21 2yuf h LEU 116 N -0.27 0.03 -1.23 1.64 5.85 -1.36 -1.43 115.31 118.54 2yuf h LEU 116 Ca -0.02 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 2yuf h LEU 116 Cb 0.22 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2yuf h LEU 116 CO 0.03 0.26 -0.38 0.15 -0.34 0.00 0.00 178.44 178.16 2yuf h PHE 117 N 0.03 0.00 0.01 1.25 3.57 0.43 -1.60 116.94 120.64 2yuf h PHE 117 Ca 0.00 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.24 2yuf h PHE 117 Cb 0.41 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 2yuf h PHE 117 CO 0.00 0.38 -1.48 0.00 -2.23 0.00 0.00 178.31 174.98 2yuf h ALA 118 N 1.62 0.61 -0.05 2.41 0.00 -0.74 -3.24 119.26 119.87 2yuf h ALA 118 Ca -0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 54.91 53.60 2yuf h ALA 118 Cb 0.69 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2yuf h ALA 118 CO 0.05 1.46 -0.09 -0.07 0.00 0.00 0.00 179.25 180.59 2yuf h LEU 119 N 0.00 0.17 -0.80 0.00 3.38 -1.11 -2.89 115.31 114.06 2yuf h LEU 119 Ca -0.20 -0.55 0.02 0.00 0.09 0.00 0.00 57.88 57.24 2yuf h LEU 119 Cb 1.94 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 42.59 2yuf h LEU 119 CO 0.10 0.69 0.52 0.00 0.09 0.00 0.00 178.44 179.84 2yuf h ALA 120 N 0.49 1.04 -0.08 1.53 0.00 -1.46 -1.65 119.26 119.14 2yuf h ALA 120 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2yuf h ALA 120 Cb 0.66 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2yuf h ALA 120 CO 0.02 0.37 -0.05 0.00 0.00 0.00 0.00 179.25 179.60 2yuf h ARG 121 N 1.04 0.12 -0.33 0.00 3.08 -1.59 0.48 114.38 117.18 2yuf h ARG 121 Ca 0.31 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 2yuf h ARG 121 Cb -0.04 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 2yuf h ARG 121 CO -0.09 0.18 0.17 0.37 -1.07 0.00 0.00 179.97 179.52 2yuf h GLN 122 N 0.12 0.47 0.04 0.04 4.15 -1.08 -2.04 115.11 116.81 2yuf h GLN 122 Ca 0.03 -0.06 -0.23 0.00 0.77 0.00 0.00 58.65 59.16 2yuf h GLN 122 Cb 0.16 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 2yuf h GLN 122 CO 0.01 0.42 -1.04 0.82 -1.93 0.00 0.00 178.83 177.11 2yuf h ILE 123 N 0.40 1.58 -0.92 2.39 2.04 -1.37 -2.89 117.51 118.74 2yuf h ILE 123 Ca 0.11 -3.06 0.01 0.00 1.00 0.00 0.00 64.86 62.93 2yuf h ILE 123 Cb 0.10 2.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.90 2yuf h ILE 123 CO -0.02 0.88 0.61 -1.28 0.00 0.00 0.00 178.15 178.35 2yuf h SER 124 N 0.06 1.05 0.90 1.72 0.87 -0.76 -1.93 113.55 115.45 2yuf h SER 124 Ca -0.06 -0.03 -0.22 0.00 -1.23 0.00 0.00 61.79 60.26 2yuf h SER 124 Cb 1.75 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 63.43 2yuf h SER 124 CO 0.16 0.76 -1.01 0.03 -0.53 0.00 0.00 176.83 176.23 2yuf h ARG 125 N 1.24 0.05 0.22 2.24 3.08 -1.43 -3.17 114.38 116.62 2yuf h ARG 125 Ca 0.34 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 2yuf h ARG 125 Cb -0.14 0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2yuf h ARG 125 CO -0.07 1.01 -0.10 0.93 -1.07 0.00 0.00 179.97 180.67 2yuf h GLU 126 N 0.02 -0.28 -0.75 0.04 5.08 -1.19 -0.77 114.58 116.73 2yuf h GLU 126 Ca -0.03 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2yuf h GLU 126 Cb 1.76 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 31.03 2yuf h GLU 126 CO 0.14 -0.13 0.48 0.28 -1.00 0.00 0.00 179.01 178.78 2yuf h VAL 127 N -0.37 1.14 0.00 3.13 2.07 -1.48 -1.48 116.25 119.26 2yuf h VAL 127 Ca -0.03 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2yuf h VAL 127 Cb 0.28 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2yuf h VAL 127 CO 0.05 0.17 -0.20 0.74 0.02 0.00 0.00 177.57 178.35 2yuf h THR 128 N 0.96 0.86 0.54 2.57 2.02 -1.49 -3.19 112.91 115.17 2yuf h THR 128 Ca 0.29 -0.78 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 2yuf h THR 128 Cb -0.03 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 2yuf h THR 128 CO -0.09 0.20 -0.38 0.22 0.37 0.00 0.00 175.52 175.84 2yuf h TYR 129 N 0.00 -1.02 -1.71 3.16 3.20 -0.02 -3.44 116.97 117.13 2yuf h TYR 129 Ca -0.00 -0.00 -0.46 0.00 3.14 0.00 0.00 58.73 61.41 2yuf h TYR 129 Cb 0.44 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 2yuf h TYR 129 CO 0.00 -0.54 -0.36 0.15 -1.64 0.00 0.00 178.16 175.77 2yuf s LYS 130 N -5.18 2.90 -0.30 1.82 3.01 -1.21 -5.12 119.74 115.66 2yuf s LYS 130 Ca -0.14 -1.18 -0.12 0.00 -1.01 0.00 0.00 55.97 53.51 2yuf s LYS 130 Cb 0.03 -2.67 0.14 0.00 -1.01 0.00 0.00 37.83 34.31 2yuf s LYS 130 CO 0.45 -0.02 0.77 -0.47 0.51 0.00 0.00 175.35 176.59 2yuf s TYR 131 N -2.27 -1.08 0.47 3.18 5.04 -1.26 -4.83 117.35 116.59 2yuf s TYR 131 Ca 0.46 1.91 0.00 0.00 -2.44 0.00 0.00 57.07 57.00 2yuf s TYR 131 Cb -0.08 0.65 0.00 0.00 0.35 0.00 0.00 41.96 42.88 2yuf s TYR 131 CO 0.30 -0.54 0.00 2.41 -1.34 0.00 0.00 175.55 176.38 2yuf n THR 132 N 5.11 0.00 -3.90 4.34 -1.04 -1.26 -4.84 114.28 112.69 2yuf n THR 132 Ca -0.12 0.42 -0.37 0.00 -2.04 0.00 0.00 64.05 61.94 2yuf n THR 132 Cb 0.51 -0.92 -0.07 0.00 -1.82 0.00 0.00 70.33 68.04 2yuf n THR 132 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2yuf s TYR 133 N -3.13 3.54 -0.03 -1.42 1.51 -1.26 -5.04 117.35 111.52 2yuf s TYR 133 Ca 0.00 0.47 -0.02 0.00 -1.01 0.00 0.00 57.07 56.52 2yuf s TYR 133 Cb 0.00 -1.96 -0.01 0.00 -0.11 0.00 0.00 41.96 39.89 2yuf s TYR 133 CO 0.00 0.66 -0.03 0.00 -1.11 0.00 0.00 175.55 175.07 2yuf h ARG 134 N 5.22 0.00 0.00 -0.62 2.47 -2.02 -3.49 114.38 115.93 2yuf h ARG 134 Ca -0.53 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 57.71 2yuf h ARG 134 Cb 1.22 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.48 2yuf h ARG 134 CO 0.60 0.00 -0.28 0.25 0.56 0.00 0.00 179.97 181.10 2yuf n THR 135 N -2.80 0.00 -3.15 2.04 -2.24 -1.26 -4.92 114.28 101.95 2yuf n THR 135 Ca -0.01 -1.80 0.05 0.00 -2.27 0.00 0.00 64.05 60.02 2yuf n THR 135 Cb 0.05 0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.33 2yuf n THR 135 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2yuf s THR 136 N -2.27 -0.58 -1.75 4.28 -4.23 -1.26 -4.94 115.64 104.89 2yuf s THR 136 Ca 0.15 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.65 2yuf s THR 136 Cb -0.01 -0.91 0.00 0.00 1.34 0.00 0.00 72.50 72.92 2yuf s THR 136 CO 0.10 0.00 0.14 -0.24 -0.54 0.00 0.00 174.62 174.08 2yuf n SER 137 N 5.41 -6.01 0.00 3.99 2.88 -1.26 -4.71 113.62 113.92 2yuf n SER 137 Ca -0.02 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 2yuf n SER 137 Cb 0.53 -4.97 0.00 0.00 -0.75 0.00 0.00 64.21 59.03 2yuf n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuf n GLY 138 N -1.14 0.60 1.00 0.46 0.00 -1.26 -5.09 105.19 99.76 2yuf n GLY 138 Ca -0.22 -2.20 -0.07 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.36 -3.23 1.61 -0.02 -1.26 -4.78 135.00 125.96 2yuf n PRO 139 Ca 0.00 -0.33 -0.02 0.00 -2.02 0.00 0.00 63.50 61.13 2yuf n PRO 139 Cb 0.00 -0.53 -0.02 0.00 -0.02 0.00 0.00 33.50 32.92 2yuf n PRO 139 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2yuf s SER 140 N -1.92 -0.86 -0.25 2.55 0.15 -1.26 -4.34 113.70 107.77 2yuf s SER 140 Ca 0.15 -0.61 -0.12 0.00 0.70 0.00 0.00 55.95 56.07 2yuf s SER 140 Cb -0.03 1.64 -0.05 0.00 -1.71 0.00 0.00 66.02 65.88 2yuf s SER 140 CO 0.13 -0.24 0.25 -0.55 1.20 0.00 0.00 173.24 174.02 2yuf s SER 141 N 2.13 6.18 0.00 5.45 0.15 -1.26 -5.12 113.70 121.23 2yuf s SER 141 Ca 0.14 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.98 2yuf s SER 141 Cb -0.08 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 2yuf s SER 141 CO -0.15 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 174.88