#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 1.79 -0.05 1.61 3.41 -1.26 -4.73 113.62 114.38 2yuf n SER 2 Ca 0.00 -3.21 -0.07 0.00 -0.26 0.00 0.00 58.87 55.33 2yuf n SER 2 Cb 0.00 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.45 2yuf n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yuf n SER 3 N -0.56 3.01 0.00 4.04 2.88 -1.26 -5.09 113.62 116.64 2yuf n SER 3 Ca 0.17 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2yuf n SER 3 Cb 0.86 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.41 2yuf n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuf n GLY 4 N 2.80 0.71 3.74 0.46 0.00 -1.26 -5.11 105.19 106.53 2yuf n GLY 4 Ca -0.19 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 2yuf n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yuf s SER 5 N -1.67 6.97 -0.44 1.61 1.04 -1.26 -4.99 113.70 114.96 2yuf s SER 5 Ca 0.00 2.38 0.04 0.00 0.48 0.00 0.00 55.95 58.85 2yuf s SER 5 Cb 0.00 -2.62 0.19 0.00 0.10 0.00 0.00 66.02 63.69 2yuf s SER 5 CO 0.00 -0.45 0.78 -0.55 0.98 0.00 0.00 173.24 174.00 2yuf s SER 6 N 0.05 -1.21 0.04 7.02 0.15 -1.26 -4.91 113.70 113.58 2yuf s SER 6 Ca 0.53 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 56.09 2yuf s SER 6 Cb -0.35 1.57 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 2yuf s SER 6 CO 0.40 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.37 2yuf n GLY 7 N 3.43 0.07 3.54 9.45 0.00 -1.26 -4.93 105.19 115.49 2yuf n GLY 7 Ca 0.14 -1.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 0.90 0.43 1.61 0.41 -1.26 -5.18 118.70 115.61 2yuf s GLU 8 Ca 0.00 0.59 0.05 0.00 -0.41 0.00 0.00 54.97 55.20 2yuf s GLU 8 Cb 0.00 0.43 -0.06 0.00 -1.78 0.00 0.00 34.13 32.72 2yuf s GLU 8 CO 0.00 -0.20 0.01 0.00 -0.49 0.00 0.00 175.26 174.58 2yuf s ALA 9 N -0.40 3.40 1.41 5.21 0.00 -1.26 -5.08 121.76 125.04 2yuf s ALA 9 Ca -0.05 -1.72 -0.22 0.00 0.00 0.00 0.00 51.96 49.96 2yuf s ALA 9 Cb -0.03 0.16 0.34 0.00 0.00 0.00 0.00 23.12 23.59 2yuf s ALA 9 CO 0.05 -0.10 0.83 1.28 0.00 0.00 0.00 175.76 177.82 2yuf n LEU 10 N -1.04 0.00 0.00 0.00 4.77 -1.26 -5.05 117.00 114.42 2yuf n LEU 10 Ca -0.09 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 2yuf n LEU 10 Cb 0.67 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2yuf n LEU 10 CO 0.45 -2.63 0.00 -0.67 -1.33 0.00 0.00 177.39 173.22 2yuf n ASP 11 N -5.46 0.00 0.04 -1.43 2.03 -1.26 -4.89 116.55 105.58 2yuf n ASP 11 Ca 0.13 -0.79 -0.07 0.00 0.52 0.00 0.00 54.79 54.58 2yuf n ASP 11 Cb 0.55 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.83 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 -0.99 0.49 0.08 -1.67 0.00 -1.99 -3.09 119.26 112.10 2yuf h ALA 12 Ca 0.00 -1.04 -0.25 0.00 0.00 0.00 0.00 54.91 53.62 2yuf h ALA 12 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2yuf h ALA 12 CO 0.00 1.31 -1.32 0.00 0.00 0.00 0.00 179.25 179.24 2yuf h ALA 13 N 1.03 0.20 0.20 0.00 0.00 -1.98 -3.06 119.26 115.65 2yuf h ALA 13 Ca -0.09 -1.09 -0.00 0.00 0.00 0.00 0.00 54.91 53.73 2yuf h ALA 13 Cb 1.82 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 20.11 2yuf h ALA 13 CO 0.11 0.77 -0.13 0.00 0.00 0.00 0.00 179.25 180.01 2yuf h ALA 14 N -0.13 -0.31 -0.49 0.00 0.00 -1.96 -2.02 119.26 114.35 2yuf h ALA 14 Ca -0.30 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2yuf h ALA 14 Cb 1.63 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 2yuf h ALA 14 CO -0.00 -0.68 0.10 0.00 0.00 0.00 0.00 179.25 178.67 2yuf h ALA 15 N 0.47 1.25 -0.24 0.00 0.00 -1.73 -2.38 119.26 116.64 2yuf h ALA 15 Ca -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2yuf h ALA 15 Cb 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2yuf h ALA 15 CO 0.01 0.52 0.10 -0.07 0.00 0.00 0.00 179.25 179.81 2yuf h LEU 16 N 0.73 0.29 -1.27 0.00 3.38 -1.38 -1.77 115.31 115.29 2yuf h LEU 16 Ca 0.16 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2yuf h LEU 16 Cb 0.30 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2yuf h LEU 16 CO 0.00 0.26 0.39 0.28 0.09 0.00 0.00 178.44 179.46 2yuf h SER 17 N 0.33 0.78 0.37 -0.43 0.02 -0.82 -1.18 113.55 112.62 2yuf h SER 17 Ca 0.08 -0.04 -0.28 0.00 -0.84 0.00 0.00 61.79 60.71 2yuf h SER 17 Cb 0.05 -0.20 0.02 0.00 0.14 0.00 0.00 62.40 62.41 2yuf h SER 17 CO -0.01 0.61 -1.22 0.58 -1.14 0.00 0.00 176.83 175.64 2yuf h VAL 18 N 0.90 1.38 0.00 2.27 2.07 -1.40 -2.59 116.25 118.88 2yuf h VAL 18 Ca 0.24 -2.71 -0.05 0.00 0.82 0.00 0.00 66.70 64.99 2yuf h VAL 18 Cb -0.03 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 2yuf h VAL 18 CO -0.04 0.81 -0.26 0.00 0.02 0.00 0.00 177.57 178.10 2yuf h ALA 19 N 0.46 1.53 0.00 1.67 0.00 -1.00 0.29 119.26 122.21 2yuf h ALA 19 Ca -0.16 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.27 2yuf h ALA 19 Cb 1.91 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.62 2yuf h ALA 19 CO 0.22 0.32 -1.34 0.93 0.00 0.00 0.00 179.25 179.38 2yuf h GLU 20 N 0.00 0.01 0.09 0.00 5.08 -1.27 -3.28 114.58 115.21 2yuf h GLU 20 Ca -0.00 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 2yuf h GLU 20 Cb 0.47 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.73 2yuf h GLU 20 CO 0.03 0.76 -0.63 0.00 -1.00 0.00 0.00 179.01 178.17 2yuf h VAL 22 N -0.58 0.68 0.00 0.00 3.04 -0.59 0.38 116.25 119.18 2yuf h VAL 22 Ca -0.12 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.48 2yuf h VAL 22 Cb 1.44 0.78 -0.01 0.00 -2.01 0.00 0.00 31.29 31.49 2yuf h VAL 22 CO 0.08 0.00 -0.52 -0.33 -1.01 0.00 0.00 177.57 175.79 2yuf h GLU 23 N 0.00 0.00 0.04 4.17 4.39 -1.64 -1.54 114.58 120.00 2yuf h GLU 23 Ca 0.19 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.57 2yuf h GLU 23 Cb 0.80 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.41 2yuf h GLU 23 CO -0.00 0.39 -1.80 0.54 -1.16 0.00 0.00 179.01 176.98 2yuf n ARG 24 N -3.16 0.67 0.06 2.33 1.74 0.56 -4.14 116.66 114.73 2yuf n ARG 24 Ca 0.01 0.29 -0.01 0.00 -0.77 0.00 0.00 57.85 57.37 2yuf n ARG 24 Cb 0.71 -1.77 -0.06 0.00 -1.02 0.00 0.00 32.46 30.32 2yuf n ARG 24 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yuf h MET 25 N 0.02 0.00 0.65 5.56 -0.00 -0.51 -3.27 114.93 117.38 2yuf h MET 25 Ca -0.33 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.35 2yuf h MET 25 Cb 2.02 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.62 2yuf h MET 25 CO 0.08 0.49 -0.42 0.00 -0.00 0.00 0.00 176.91 177.06 2yuf h ALA 26 N 1.33 -1.21 -0.75 -3.00 0.00 -1.44 0.43 119.26 114.63 2yuf h ALA 26 Ca -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2yuf h ALA 26 Cb 1.60 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 19.90 2yuf h ALA 26 CO 0.07 -1.18 0.35 -1.00 0.00 0.00 0.00 179.25 177.49 2yuf h PRO 27 N -1.01 1.08 -0.01 0.00 0.13 -1.74 -2.51 132.00 127.94 2yuf h PRO 27 Ca -0.09 -0.16 -0.11 0.00 -0.87 0.00 0.00 66.00 64.77 2yuf h PRO 27 Cb 0.81 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.73 2yuf h PRO 27 CO 0.07 0.85 -0.53 1.79 -0.23 0.00 0.00 178.00 179.95 2yuf h THR 28 N 1.07 1.38 -3.93 1.56 1.35 -1.59 -3.44 112.91 109.31 2yuf h THR 28 Ca 0.26 -1.81 -0.48 0.00 -0.55 0.00 0.00 66.41 63.83 2yuf h THR 28 Cb 0.13 1.96 0.01 0.00 -1.73 0.00 0.00 68.15 68.52 2yuf h THR 28 CO -0.03 0.52 0.40 -0.76 -0.25 0.00 0.00 175.52 175.40 2yuf s LEU 29 N -7.86 4.23 0.43 3.87 1.43 0.15 -5.02 118.68 115.91 2yuf s LEU 29 Ca -0.02 2.01 -0.23 0.00 -1.03 0.00 0.00 54.13 54.85 2yuf s LEU 29 Cb 0.13 -4.09 -0.08 0.00 0.03 0.00 0.00 46.19 42.18 2yuf s LEU 29 CO 0.75 -0.35 1.09 -2.16 0.23 0.00 0.00 176.35 175.92 2yuf s PRO 30 N -2.29 3.96 0.75 1.29 0.04 -1.26 -4.91 135.00 132.59 2yuf s PRO 30 Ca 0.55 1.59 -0.11 0.00 0.04 0.00 0.00 61.00 63.07 2yuf s PRO 30 Cb -0.22 -2.43 0.04 0.00 0.04 0.00 0.00 34.50 31.93 2yuf s PRO 30 CO 0.28 -0.33 1.08 0.21 0.04 0.00 0.00 177.00 178.28 2yuf s LYS 31 N -2.67 2.42 0.38 4.56 2.20 -1.26 -5.07 119.74 120.31 2yuf s LYS 31 Ca 0.61 1.06 0.08 0.00 -0.36 0.00 0.00 55.97 57.36 2yuf s LYS 31 Cb -0.24 -1.92 -0.04 0.00 -1.51 0.00 0.00 37.83 34.12 2yuf s LYS 31 CO 0.29 -1.49 0.23 0.45 -0.36 0.00 0.00 175.35 174.46 2yuf s SER 32 N -3.54 4.74 -0.32 1.43 0.15 -1.26 -5.05 113.70 109.84 2yuf s SER 32 Ca 0.60 -0.84 -0.28 0.00 0.70 0.00 0.00 55.95 56.13 2yuf s SER 32 Cb -0.16 -0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 63.50 2yuf s SER 32 CO 0.56 -0.47 1.92 1.51 1.20 0.00 0.00 173.24 177.95 2yuf s ASP 33 N -3.95 5.72 -0.14 5.45 -4.77 -1.26 -4.81 116.67 112.91 2yuf s ASP 33 Ca 0.42 1.39 0.18 0.00 -3.30 0.00 0.00 52.55 51.24 2yuf s ASP 33 Cb -0.01 -2.52 -0.26 0.00 -1.09 0.00 0.00 42.92 39.04 2yuf s ASP 33 CO 0.24 -1.83 0.25 0.18 0.70 0.00 0.00 175.17 174.71 2yuf n LEU 34 N 10.90 0.12 -0.00 2.11 4.77 -1.26 -3.96 117.00 129.69 2yuf n LEU 34 Ca 0.25 0.06 -0.17 0.00 -0.03 0.00 0.00 56.01 56.12 2yuf n LEU 34 Cb 0.47 0.35 -0.11 0.00 -2.33 0.00 0.00 43.42 41.79 2yuf n LEU 34 CO 0.68 0.36 0.28 -1.13 -1.33 0.00 0.00 177.39 176.25 2yuf h ASN 35 N 0.00 0.44 -0.26 -1.43 -1.24 -2.00 -3.05 115.58 108.04 2yuf h ASN 35 Ca -0.39 -0.78 0.00 0.00 0.71 0.00 0.00 56.30 55.84 2yuf h ASN 35 Cb 1.93 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 40.84 2yuf h ASN 35 CO 0.03 1.16 0.17 -0.08 -1.29 0.00 0.00 177.43 177.42 2yuf h GLU 36 N -0.24 0.34 -0.11 6.67 4.81 -1.98 -2.10 114.58 121.97 2yuf h GLU 36 Ca -0.07 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2yuf h GLU 36 Cb 1.25 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2yuf h GLU 36 CO 0.10 0.23 0.08 -0.39 -0.73 0.00 0.00 179.01 178.30 2yuf h VAL 37 N 0.35 0.97 -0.92 0.32 -1.51 -1.69 -1.72 116.25 112.05 2yuf h VAL 37 Ca 0.09 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.55 2yuf h VAL 37 Cb -0.04 0.91 -0.05 0.00 -2.13 0.00 0.00 31.29 29.99 2yuf h VAL 37 CO -0.02 0.01 0.58 0.11 -1.23 0.00 0.00 177.57 177.02 2yuf h LYS 38 N 0.05 1.23 -0.02 5.19 1.57 -1.26 -1.85 116.57 121.48 2yuf h LYS 38 Ca 0.05 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 2yuf h LYS 38 Cb 0.14 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2yuf h LYS 38 CO -0.00 0.84 -0.46 0.93 -0.57 0.00 0.00 179.45 180.18 2yuf h GLU 39 N 1.26 0.06 -0.36 3.15 5.08 -1.26 -2.87 114.58 119.63 2yuf h GLU 39 Ca 0.33 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2yuf h GLU 39 Cb -0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2yuf h GLU 39 CO -0.07 0.51 0.20 1.25 -1.00 0.00 0.00 179.01 179.91 2yuf h LEU 40 N 0.05 0.43 -0.19 1.33 6.46 -1.22 -2.29 115.31 119.88 2yuf h LEU 40 Ca -0.00 -0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.63 2yuf h LEU 40 Cb 0.84 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.66 2yuf h LEU 40 CO 0.06 0.34 -0.30 -0.07 -0.62 0.00 0.00 178.44 177.86 2yuf h LEU 41 N 0.49 0.58 -2.10 2.25 3.38 -1.41 -0.01 115.31 118.50 2yuf h LEU 41 Ca 0.13 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2yuf h LEU 41 Cb 0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2yuf h LEU 41 CO -0.02 1.00 -0.04 0.11 0.09 0.00 0.00 178.44 179.58 2yuf h LYS 42 N 0.19 0.00 0.05 1.13 6.56 -1.44 -2.35 116.57 120.71 2yuf h LYS 42 Ca 0.02 0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 59.30 2yuf h LYS 42 Cb 0.88 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.51 2yuf h LYS 42 CO 0.07 0.04 -1.71 1.79 -2.06 0.00 0.00 179.45 177.58 2yuf h THR 43 N 0.00 0.89 -1.64 -0.16 1.35 -1.31 -3.47 112.91 108.57 2yuf h THR 43 Ca -0.00 -2.67 -0.46 0.00 -0.55 0.00 0.00 66.41 62.74 2yuf h THR 43 Cb 0.09 2.53 0.04 0.00 -1.73 0.00 0.00 68.15 69.08 2yuf h THR 43 CO 0.01 0.68 -0.07 0.21 -0.25 0.00 0.00 175.52 176.10 2yuf s ASN 44 N -6.54 5.08 0.00 5.36 3.84 -0.03 -5.06 114.94 117.59 2yuf s ASN 44 Ca -0.10 -0.46 0.00 0.00 0.21 0.00 0.00 52.86 52.52 2yuf s ASN 44 Cb 0.08 -0.24 0.00 0.00 -0.55 0.00 0.00 41.25 40.53 2yuf s ASN 44 CO 0.82 -1.30 0.00 1.17 -2.79 0.00 0.00 177.10 175.00 2yuf n LYS 45 N -2.32 0.00 0.10 0.43 4.81 -1.26 -4.68 118.16 115.24 2yuf n LYS 45 Ca 0.12 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.43 2yuf n LYS 45 Cb 0.60 -0.37 -0.07 0.00 0.02 0.00 0.00 35.03 35.21 2yuf n LYS 45 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2yuf h LYS 46 N 0.00 -0.17 -0.12 1.64 1.57 -1.97 -1.59 116.57 115.94 2yuf h LYS 46 Ca 0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2yuf h LYS 46 Cb 0.37 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2yuf h LYS 46 CO 0.00 -0.10 0.02 -0.07 -0.57 0.00 0.00 179.45 178.73 2yuf h LEU 47 N -0.18 0.14 -0.99 2.94 3.38 -1.96 0.11 115.31 118.75 2yuf h LEU 47 Ca -0.02 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2yuf h LEU 47 Cb 0.14 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2yuf h LEU 47 CO 0.03 0.15 -0.43 0.00 0.09 0.00 0.00 178.44 178.28 2yuf h ALA 48 N 1.87 1.07 0.00 1.53 0.00 -1.69 -1.97 119.26 120.06 2yuf h ALA 48 Ca 0.04 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.35 2yuf h ALA 48 Cb 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2yuf h ALA 48 CO -0.00 0.54 -1.53 1.17 0.00 0.00 0.00 179.25 179.43 2yuf n LYS 49 N -3.71 0.63 0.13 0.00 3.00 -0.46 -1.79 118.16 115.95 2yuf n LYS 49 Ca -0.01 0.24 -0.07 0.00 -0.00 0.00 0.00 58.31 58.47 2yuf n LYS 49 Cb 0.51 -1.80 -0.03 0.00 0.00 0.00 0.00 35.03 33.71 2yuf n LYS 49 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 2yuf h MET 50 N 0.00 -0.40 0.00 1.64 4.05 -0.74 -3.42 114.93 116.07 2yuf h MET 50 Ca -0.21 0.03 -0.12 0.00 -0.28 0.00 0.00 59.70 59.12 2yuf h MET 50 Cb 1.72 0.09 -0.27 0.00 -0.80 0.00 0.00 31.60 32.34 2yuf h MET 50 CO 0.05 -0.24 -0.86 0.44 0.23 0.00 0.00 176.91 176.53 2yuf n ILE 51 N -5.05 0.43 0.04 1.77 -5.35 -0.79 -4.85 119.36 105.57 2yuf n ILE 51 Ca -0.05 -1.32 -0.21 0.00 -0.27 0.00 0.00 62.75 60.90 2yuf n ILE 51 Cb 0.17 0.70 -0.14 0.00 -1.74 0.00 0.00 39.64 38.63 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 0.86 0.36 1.86 3.28 0.00 -0.87 -3.33 103.07 105.23 2yuf h GLY 52 Ca -0.16 -0.92 0.02 0.00 0.00 0.00 0.00 47.33 46.27 2yuf h GLY 52 CO 0.07 0.81 0.05 1.12 0.00 0.00 0.00 176.54 178.59 2yuf h HIS 53 N 0.09 0.00 -0.09 5.60 2.07 -1.80 -1.11 115.15 119.91 2yuf h HIS 53 Ca -0.37 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 56.98 2yuf h HIS 53 Cb 2.06 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 32.04 2yuf h HIS 53 CO 0.09 0.00 -0.65 0.82 -3.07 0.00 0.00 177.93 175.12 2yuf h ILE 54 N 0.00 1.38 -0.02 6.12 2.04 -1.90 -1.93 117.51 123.20 2yuf h ILE 54 Ca 0.03 -2.03 -0.00 0.00 1.00 0.00 0.00 64.86 63.86 2yuf h ILE 54 Cb 0.14 2.02 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2yuf h ILE 54 CO -0.00 0.61 0.01 -0.26 0.00 0.00 0.00 178.15 178.51 2yuf h PHE 55 N 0.25 0.03 0.00 1.37 0.04 -1.30 -2.58 116.94 114.74 2yuf h PHE 55 Ca -0.01 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.68 2yuf h PHE 55 Cb 1.18 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.31 2yuf h PHE 55 CO 0.03 0.05 -0.34 0.93 -0.60 0.00 0.00 178.31 178.38 2yuf h GLU 56 N -0.01 0.00 -6.93 1.51 5.08 -1.56 -3.46 114.58 109.22 2yuf h GLU 56 Ca 0.01 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.86 2yuf h GLU 56 Cb 0.03 0.00 0.21 0.00 0.50 0.00 0.00 28.75 29.50 2yuf h GLU 56 CO -0.00 0.34 -0.39 -0.12 -1.00 0.00 0.00 179.01 177.84 2yuf n MET 57 N -3.46 -0.74 -0.32 2.33 1.56 -0.73 -4.96 117.12 110.81 2yuf n MET 57 Ca 0.00 -0.17 -0.29 0.00 -0.27 0.00 0.00 57.70 56.97 2yuf n MET 57 Cb 0.51 -2.00 0.28 0.00 2.15 0.00 0.00 33.22 34.17 2yuf n MET 57 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 2yuf n ASN 58 N -2.47 -3.39 -0.06 6.12 2.85 -1.26 -4.99 115.26 112.06 2yuf n ASN 58 Ca 0.07 -0.63 -0.07 0.00 -0.11 0.00 0.00 54.58 53.84 2yuf n ASN 58 Cb 0.54 -1.07 -0.09 0.00 1.24 0.00 0.00 39.78 40.40 2yuf n ASN 58 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2yuf n ASP 59 N -5.33 2.10 -2.20 1.20 9.92 -1.26 -4.53 116.55 116.44 2yuf n ASP 59 Ca 0.09 -0.01 -0.27 0.00 -0.53 0.00 0.00 54.79 54.08 2yuf n ASP 59 Cb 0.58 0.67 0.15 0.00 -0.64 0.00 0.00 41.12 41.87 2yuf n ASP 59 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2yuf n ASP 60 N -2.51 4.97 -4.86 -2.24 2.03 -1.26 -4.96 116.55 107.72 2yuf n ASP 60 Ca -0.21 -3.68 -0.37 0.00 0.52 0.00 0.00 54.79 51.06 2yuf n ASP 60 Cb 0.88 -0.87 -0.06 0.00 -0.72 0.00 0.00 41.12 40.35 2yuf n ASP 60 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2yuf s ASP 61 N -1.57 6.26 0.21 1.67 1.11 -1.26 -5.01 116.67 118.07 2yuf s ASP 61 Ca 0.59 0.43 0.01 0.00 0.18 0.00 0.00 52.55 53.75 2yuf s ASP 61 Cb 0.48 -2.00 0.15 0.00 1.07 0.00 0.00 42.92 42.63 2yuf s ASP 61 CO 0.06 0.40 1.51 1.55 1.18 0.00 0.00 175.17 179.87 2yuf h PRO 62 N 4.93 0.38 0.00 8.23 0.13 -1.98 -3.07 132.00 140.62 2yuf h PRO 62 Ca -0.54 -0.27 -0.00 0.00 -0.87 0.00 0.00 66.00 64.32 2yuf h PRO 62 Cb 1.22 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2yuf h PRO 62 CO 0.58 0.88 -0.01 0.45 -0.23 0.00 0.00 178.00 179.68 2yuf h HIS 63 N 0.28 0.00 -0.54 1.56 3.86 -1.99 -2.35 115.15 115.97 2yuf h HIS 63 Ca -0.01 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.25 2yuf h HIS 63 Cb 1.16 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.58 2yuf h HIS 63 CO 0.04 0.01 0.26 -0.22 0.86 0.00 0.00 177.93 178.88 2yuf h LYS 64 N 0.00 0.49 -0.23 2.45 3.64 -1.91 0.16 116.57 121.17 2yuf h LYS 64 Ca -0.00 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 2yuf h LYS 64 Cb 0.02 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2yuf h LYS 64 CO 0.00 0.32 -0.39 0.93 -2.27 0.00 0.00 179.45 178.04 2yuf h GLU 65 N 0.50 0.53 -0.07 1.90 5.08 -1.60 -1.75 114.58 119.17 2yuf h GLU 65 Ca 0.24 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 2yuf h GLU 65 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2yuf h GLU 65 CO -0.18 0.83 -0.45 0.93 -1.00 0.00 0.00 179.01 179.14 2yuf h GLU 66 N 0.44 0.16 0.06 2.33 4.39 -1.25 0.20 114.58 120.91 2yuf h GLU 66 Ca 0.04 -0.08 -0.27 0.00 0.34 0.00 0.00 59.36 59.39 2yuf h GLU 66 Cb 0.88 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.55 2yuf h GLU 66 CO 0.07 0.58 -1.12 0.93 -1.16 0.00 0.00 179.01 178.32 2yuf h GLU 67 N 0.13 0.54 0.06 2.33 4.39 -0.52 -3.05 114.58 118.46 2yuf h GLU 67 Ca 0.01 -0.66 -0.24 0.00 0.34 0.00 0.00 59.36 58.81 2yuf h GLU 67 Cb 0.85 0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2yuf h GLU 67 CO 0.07 1.27 -1.06 0.82 -1.16 0.00 0.00 179.01 178.95 2yuf h ILE 68 N 0.26 1.48 -0.10 3.13 2.04 -1.23 -3.19 117.51 119.91 2yuf h ILE 68 Ca -0.14 -2.80 -0.05 0.00 1.00 0.00 0.00 64.86 62.87 2yuf h ILE 68 Cb 1.78 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 40.53 2yuf h ILE 68 CO 0.21 0.82 -0.16 0.03 0.00 0.00 0.00 178.15 179.05 2yuf h ARG 69 N 0.12 0.16 0.28 2.37 3.08 -0.69 0.18 114.38 119.89 2yuf h ARG 69 Ca -0.09 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2yuf h ARG 69 Cb 1.74 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.77 2yuf h ARG 69 CO 0.17 0.32 -0.13 -0.22 -1.07 0.00 0.00 179.97 179.04 2yuf h LYS 70 N 0.15 -0.36 -0.08 0.04 3.64 -1.55 -3.23 116.57 115.18 2yuf h LYS 70 Ca 0.03 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 2yuf h LYS 70 Cb 0.38 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2yuf h LYS 70 CO 0.02 -0.01 -0.30 1.88 -2.27 0.00 0.00 179.45 178.77 2yuf h TYR 71 N -0.84 0.16 -0.07 1.91 0.05 -1.53 -3.35 116.97 113.30 2yuf h TYR 71 Ca -0.04 -0.03 -0.59 0.00 0.05 0.00 0.00 58.73 58.12 2yuf h TYR 71 Cb 0.51 -0.04 0.05 0.00 1.01 0.00 0.00 36.73 38.26 2yuf h TYR 71 CO 0.04 0.44 2.00 0.43 -1.05 0.00 0.00 178.16 180.03 2yuf n SER 72 N -4.14 2.41 -3.46 3.88 7.64 0.62 -4.73 113.62 115.85 2yuf n SER 72 Ca -0.01 -2.66 -0.21 0.00 1.01 0.00 0.00 58.87 57.00 2yuf n SER 72 Cb 0.38 -1.14 -0.12 0.00 -1.01 0.00 0.00 64.21 62.33 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 6.21 -0.12 -0.18 -0.43 0.00 -1.26 -4.72 121.76 121.25 2yuf s ALA 73 Ca 0.60 -0.43 0.14 0.00 0.00 0.00 0.00 51.96 52.27 2yuf s ALA 73 Cb 0.12 -1.60 -0.21 0.00 0.00 0.00 0.00 23.12 21.44 2yuf s ALA 73 CO 0.15 -1.61 0.02 -0.89 0.00 0.00 0.00 175.76 173.44 2yuf n ILE 74 N 5.30 1.21 -3.98 0.00 5.41 -1.26 -4.56 119.36 121.48 2yuf n ILE 74 Ca -0.04 -0.71 -0.35 0.00 1.00 0.00 0.00 62.75 62.66 2yuf n ILE 74 Cb 0.46 -0.64 -0.14 0.00 -0.71 0.00 0.00 39.64 38.61 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 -2.43 2.94 0.00 1.39 1.51 -1.26 -4.59 117.35 114.91 2yuf s TYR 75 Ca -0.12 -0.95 0.00 0.00 -1.01 0.00 0.00 57.07 55.00 2yuf s TYR 75 Cb 0.06 -2.08 0.00 0.00 -0.11 0.00 0.00 41.96 39.83 2yuf s TYR 75 CO 0.69 -0.53 0.00 0.41 -1.11 0.00 0.00 175.55 175.00 2yuf n GLY 76 N 4.69 2.81 7.00 0.71 0.00 -1.26 -4.82 105.19 114.33 2yuf n GLY 76 Ca -0.18 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 0.00 -0.06 1.61 3.00 -1.26 -1.90 116.66 118.05 2yuf n ARG 77 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.76 2yuf n ARG 77 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.31 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 -0.67 0.53 -1.89 -0.14 1.16 -1.26 -4.46 117.46 110.73 2yuf n PHE 78 Ca 0.00 0.19 0.05 0.00 -1.87 0.00 0.00 57.45 55.82 2yuf n PHE 78 Cb 0.00 -1.09 0.08 0.00 -1.61 0.00 0.00 39.48 36.86 2yuf n PHE 78 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 2yuf n ASP 79 N -2.90 1.16 -2.75 5.98 -0.08 -1.26 -5.04 116.55 111.66 2yuf n ASP 79 Ca -0.24 -2.65 -0.03 0.00 -1.51 0.00 0.00 54.79 50.36 2yuf n ASP 79 Cb 1.09 -0.35 -0.03 0.00 2.34 0.00 0.00 41.12 44.17 2yuf n ASP 79 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2yuf n SER 80 N -0.37 -3.32 -0.05 1.67 2.88 -0.80 -4.99 113.62 108.64 2yuf n SER 80 Ca 0.09 1.24 -0.05 0.00 -1.33 0.00 0.00 58.87 58.82 2yuf n SER 80 Cb 0.83 -4.37 -0.06 0.00 -0.75 0.00 0.00 64.21 59.86 2yuf n SER 80 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2yuf n LYS 81 N 1.69 1.83 -2.32 -1.46 4.81 -1.26 -4.92 118.16 116.53 2yuf n LYS 81 Ca -0.26 0.02 -0.41 0.00 -0.87 0.00 0.00 58.31 56.79 2yuf n LYS 81 Cb 0.42 -1.22 -0.03 0.00 0.02 0.00 0.00 35.03 34.22 2yuf n LYS 81 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2yuf s ARG 82 N -2.21 3.23 -0.50 1.64 0.52 -1.26 -4.94 118.95 115.42 2yuf s ARG 82 Ca -0.08 0.56 0.03 0.00 -0.52 0.00 0.00 55.73 55.72 2yuf s ARG 82 Cb 0.03 -4.16 0.13 0.00 0.52 0.00 0.00 34.95 31.47 2yuf s ARG 82 CO 0.32 -2.02 0.25 0.21 0.02 0.00 0.00 175.30 174.08 2yuf s LYS 83 N 5.69 1.79 -0.07 3.54 2.20 -1.26 -4.83 119.74 126.81 2yuf s LYS 83 Ca 0.56 -2.45 0.17 0.00 -0.36 0.00 0.00 55.97 53.90 2yuf s LYS 83 Cb -0.12 -3.05 0.32 0.00 -1.51 0.00 0.00 37.83 33.47 2yuf s LYS 83 CO 0.25 -1.12 1.15 -0.40 -0.36 0.00 0.00 175.35 174.87 2yuf n ASP 84 N 3.24 0.35 -1.21 1.43 5.75 -1.26 -4.98 116.55 119.86 2yuf n ASP 84 Ca 0.06 -2.02 -0.07 0.00 -0.01 0.00 0.00 54.79 52.75 2yuf n ASP 84 Cb 0.33 -0.08 0.02 0.00 -1.03 0.00 0.00 41.12 40.35 2yuf n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2yuf n GLY 85 N 0.03 0.39 2.60 6.12 0.00 -1.26 -5.03 105.19 108.04 2yuf n GLY 85 Ca -0.05 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 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 -5.06 0.24 0.55 1.61 2.47 -1.26 -5.14 119.74 113.14 2yuf s LYS 86 Ca 0.12 -0.41 0.07 0.00 -1.56 0.00 0.00 55.97 54.19 2yuf s LYS 86 Cb -0.05 -1.57 0.05 0.00 -1.46 0.00 0.00 37.83 34.80 2yuf s LYS 86 CO 0.15 -0.85 0.54 -1.01 0.16 0.00 0.00 175.35 174.34 2yuf s HIS 87 N 2.04 1.63 -0.70 4.03 3.76 -1.26 -4.93 115.29 119.86 2yuf s HIS 87 Ca 0.06 -0.77 -0.24 0.00 -0.15 0.00 0.00 55.06 53.96 2yuf s HIS 87 Cb -0.16 -2.04 0.06 0.00 1.11 0.00 0.00 32.58 31.55 2yuf s HIS 87 CO -0.23 -0.70 1.06 -0.51 -0.85 0.00 0.00 174.74 173.51 2yuf s LEU 88 N -4.41 4.08 -0.25 0.89 1.43 -1.26 -4.81 118.68 114.34 2yuf s LEU 88 Ca 0.45 -0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 2yuf s LEU 88 Cb -0.04 -2.46 -0.17 0.00 0.03 0.00 0.00 46.19 43.56 2yuf s LEU 88 CO 0.28 -1.53 -0.20 1.07 0.23 0.00 0.00 176.35 176.20 2yuf n THR 89 N 6.05 1.52 0.02 5.49 5.66 -1.26 -4.92 114.28 126.84 2yuf n THR 89 Ca -0.00 -0.53 0.00 0.00 -3.05 0.00 0.00 64.05 60.46 2yuf n THR 89 Cb 0.47 -1.55 0.00 0.00 -1.55 0.00 0.00 70.33 67.70 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 -3.49 -0.44 0.19 1.09 7.94 -1.26 -4.95 117.00 116.08 2yuf n LEU 90 Ca -0.46 0.31 0.07 0.00 -1.11 0.00 0.00 56.01 54.82 2yuf n LEU 90 Cb 0.97 0.67 0.58 0.00 0.53 0.00 0.00 43.42 46.17 2yuf n LEU 90 CO 0.23 -0.01 1.10 -0.74 -1.11 0.00 0.00 177.39 176.86 2yuf h HIS 91 N 0.00 0.14 -0.11 1.96 2.76 -1.96 -2.39 115.15 115.55 2yuf h HIS 91 Ca 0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2yuf h HIS 91 Cb 0.00 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 28.91 2yuf h HIS 91 CO 0.00 0.09 -0.02 0.93 -1.30 0.00 0.00 177.93 177.63 2yuf h GLU 92 N 0.15 0.21 -0.09 5.26 3.07 -1.92 -2.91 114.58 118.34 2yuf h GLU 92 Ca 0.04 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2yuf h GLU 92 Cb -0.01 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 2yuf h GLU 92 CO -0.01 0.50 0.06 -0.07 -1.40 0.00 0.00 179.01 178.09 2yuf h LEU 93 N -0.10 0.10 -0.93 1.33 3.38 -1.80 -1.61 115.31 115.69 2yuf h LEU 93 Ca 0.03 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2yuf h LEU 93 Cb 0.42 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2yuf h LEU 93 CO 0.01 0.08 0.05 0.74 0.09 0.00 0.00 178.44 179.40 2yuf h THR 94 N 0.12 1.24 -0.03 0.22 2.02 -1.27 -2.54 112.91 112.67 2yuf h THR 94 Ca 0.03 -0.95 -0.10 0.00 0.77 0.00 0.00 66.41 66.16 2yuf h THR 94 Cb -0.01 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2yuf h THR 94 CO -0.01 0.34 -0.45 0.58 0.37 0.00 0.00 175.52 176.36 2yuf h VAL 95 N 0.79 1.33 0.48 3.16 2.07 -1.16 0.24 116.25 123.16 2yuf h VAL 95 Ca 0.16 -1.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 2yuf h VAL 95 Cb 0.40 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2yuf h VAL 95 CO 0.01 0.45 -0.23 -1.13 0.02 0.00 0.00 177.57 176.69 2yuf h ASN 96 N 0.05 -0.55 1.70 0.57 -0.73 -1.26 -3.09 115.58 112.27 2yuf h ASN 96 Ca 0.00 -0.05 -0.05 0.00 1.87 0.00 0.00 56.30 58.08 2yuf h ASN 96 Cb 0.82 0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.54 2yuf h ASN 96 CO 0.06 -0.29 -0.23 -0.33 -0.37 0.00 0.00 177.43 176.28 2yuf h GLU 97 N -0.80 0.00 -0.57 6.67 5.08 -1.54 -3.30 114.58 120.12 2yuf h GLU 97 Ca -0.07 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.37 2yuf h GLU 97 Cb 0.56 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 2yuf h GLU 97 CO 0.11 0.23 0.22 0.00 -1.00 0.00 0.00 179.01 178.56 2yuf h ALA 98 N 1.77 0.72 -0.70 3.43 0.00 -0.44 -0.82 119.26 123.22 2yuf h ALA 98 Ca -0.00 0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 2yuf h ALA 98 Cb 1.14 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.82 2yuf h ALA 98 CO 0.03 -0.19 0.29 0.00 0.00 0.00 0.00 179.25 179.39 2yuf n ALA 99 N -2.44 4.51 -0.11 0.00 0.00 -1.17 -4.11 120.51 117.18 2yuf n ALA 99 Ca 0.07 -2.15 -0.13 0.00 0.00 0.00 0.00 53.44 51.23 2yuf n ALA 99 Cb 0.24 -1.26 -0.14 0.00 0.00 0.00 0.00 19.45 18.29 2yuf n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yuf n ALA 100 N -0.20 1.48 -0.03 0.00 0.00 -0.32 -4.26 120.51 117.18 2yuf n ALA 100 Ca 0.39 -1.24 -0.10 0.00 0.00 0.00 0.00 53.44 52.49 2yuf n ALA 100 Cb 1.33 -0.15 -0.14 0.00 0.00 0.00 0.00 19.45 20.49 2yuf n ALA 100 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2yuf n GLN 101 N -2.96 0.65 -0.29 0.00 6.02 -1.22 -4.15 117.38 115.43 2yuf n GLN 101 Ca -0.38 0.26 -0.04 0.00 -0.01 0.00 0.00 57.00 56.83 2yuf n GLN 101 Cb 1.09 -1.76 0.07 0.00 1.02 0.00 0.00 30.24 30.66 2yuf n GLN 101 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2yuf h LEU 102 N 0.01 0.90 -1.54 1.08 3.38 -1.79 -1.98 115.31 115.36 2yuf h LEU 102 Ca -0.33 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.63 2yuf h LEU 102 Cb 2.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 2yuf h LEU 102 CO 0.07 0.65 0.31 0.00 0.09 0.00 0.00 178.44 179.57 2yuf h VAL 104 N 0.63 1.21 -0.14 0.00 2.07 -1.52 -2.65 116.25 115.85 2yuf h VAL 104 Ca 0.17 -0.50 -0.17 0.00 0.82 0.00 0.00 66.70 67.02 2yuf h VAL 104 Cb -0.05 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2yuf h VAL 104 CO -0.04 0.22 -0.63 0.11 0.02 0.00 0.00 177.57 177.26 2yuf h LYS 105 N 0.93 0.50 -3.72 1.57 1.79 -1.27 -3.41 116.57 112.96 2yuf h LYS 105 Ca 0.24 -0.35 -0.58 0.00 -2.18 0.00 0.00 60.65 57.79 2yuf h LYS 105 Cb 0.02 0.06 -0.40 0.00 -1.58 0.00 0.00 32.23 30.32 2yuf h LYS 105 CO -0.04 0.97 -0.76 -0.51 -1.08 0.00 0.00 179.45 178.03 2yuf s ASP 106 N -6.95 3.79 0.45 0.86 1.11 -0.61 -4.98 116.67 110.35 2yuf s ASP 106 Ca -0.07 -1.41 0.15 0.00 0.18 0.00 0.00 52.55 51.40 2yuf s ASP 106 Cb 0.11 -0.89 1.04 0.00 1.07 0.00 0.00 42.92 44.25 2yuf s ASP 106 CO 0.84 -0.36 2.00 -1.13 1.18 0.00 0.00 175.17 177.70 2yuf h ASN 107 N 8.08 0.00 -0.18 0.27 -0.00 -1.75 -2.15 115.58 119.85 2yuf h ASN 107 Ca -0.14 0.00 0.05 0.00 -0.00 0.00 0.00 56.30 56.21 2yuf h ASN 107 Cb 1.05 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.36 2yuf h ASN 107 CO 0.43 0.17 0.14 0.00 -0.00 0.00 0.00 177.43 178.18 2yuf h ALA 108 N 1.83 2.09 0.00 1.57 0.00 -1.93 -0.39 119.26 122.44 2yuf h ALA 108 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2yuf h ALA 108 Cb 0.31 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2yuf h ALA 108 CO 0.02 -0.23 -0.11 -0.07 0.00 0.00 0.00 179.25 178.86 2yuf h LEU 109 N 0.00 0.00 -1.58 0.00 3.38 -1.67 -2.05 115.31 113.39 2yuf h LEU 109 Ca 0.09 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2yuf h LEU 109 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2yuf h LEU 109 CO -0.00 0.11 0.33 -0.07 0.09 0.00 0.00 178.44 178.90 2yuf h LEU 110 N 0.00 0.48 0.01 1.67 3.38 -1.22 -1.82 115.31 117.82 2yuf h LEU 110 Ca -0.00 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 2yuf h LEU 110 Cb 0.21 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2yuf h LEU 110 CO 0.01 0.33 -1.20 0.71 0.09 0.00 0.00 178.44 178.39 2yuf h THR 111 N 0.56 1.48 -3.31 0.22 1.35 -1.51 -3.42 112.91 108.27 2yuf h THR 111 Ca 0.20 -3.22 -0.73 0.00 -0.55 0.00 0.00 66.41 62.11 2yuf h THR 111 Cb 0.11 2.75 -0.26 0.00 -1.73 0.00 0.00 68.15 69.02 2yuf h THR 111 CO -0.05 0.85 -0.37 -0.13 -0.25 0.00 0.00 175.52 175.58 2yuf s ARG 112 N -2.68 2.76 0.15 4.72 0.52 -0.68 -4.92 118.95 118.83 2yuf s ARG 112 Ca -0.01 -1.53 0.04 0.00 -0.52 0.00 0.00 55.73 53.71 2yuf s ARG 112 Cb 0.09 -4.01 -0.07 0.00 0.52 0.00 0.00 34.95 31.49 2yuf s ARG 112 CO 0.83 -1.09 1.35 0.00 0.02 0.00 0.00 175.30 176.40 2yuf h ARG 113 N 8.61 0.10 0.22 3.54 2.47 -1.82 -2.95 114.38 124.55 2yuf h ARG 113 Ca -0.25 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.32 2yuf h ARG 113 Cb 1.09 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 2yuf h ARG 113 CO 0.86 0.96 -0.11 -0.44 0.56 0.00 0.00 179.97 181.80 2yuf h ASP 114 N 0.05 -0.25 0.00 7.04 3.32 -1.91 0.17 116.42 124.85 2yuf h ASP 114 Ca -0.04 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 2yuf h ASP 114 Cb 1.60 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 41.21 2yuf h ASP 114 CO 0.13 -0.02 -0.08 -0.08 -1.72 0.00 0.00 179.24 177.48 2yuf h GLU 115 N -0.48 0.18 0.00 3.56 4.57 -1.93 -1.92 114.58 118.57 2yuf h GLU 115 Ca -0.03 -0.03 -0.19 0.00 -1.18 0.00 0.00 59.36 57.93 2yuf h GLU 115 Cb 0.36 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 2yuf h GLU 115 CO 0.05 0.28 -0.87 1.25 -1.18 0.00 0.00 179.01 178.54 2yuf h LEU 116 N 0.18 0.07 -0.29 1.64 5.85 -1.32 -2.97 115.31 118.47 2yuf h LEU 116 Ca 0.04 -0.06 -0.17 0.00 0.84 0.00 0.00 57.88 58.52 2yuf h LEU 116 Cb 0.26 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 2yuf h LEU 116 CO 0.01 0.90 -0.49 0.15 -0.34 0.00 0.00 178.44 178.68 2yuf h PHE 117 N 0.03 1.05 -0.24 1.25 3.04 0.02 -1.38 116.94 120.70 2yuf h PHE 117 Ca -0.02 -0.36 -0.09 0.00 3.98 0.00 0.00 57.97 61.47 2yuf h PHE 117 Cb 1.52 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.81 2yuf h PHE 117 CO 0.01 1.18 -0.25 0.00 -2.02 0.00 0.00 178.31 177.23 2yuf h ALA 118 N 0.68 1.14 0.01 2.41 0.00 -1.42 -1.55 119.26 120.52 2yuf h ALA 118 Ca 0.02 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.40 2yuf h ALA 118 Cb 1.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2yuf h ALA 118 CO 0.11 0.54 -0.91 -0.07 0.00 0.00 0.00 179.25 178.92 2yuf h LEU 119 N 0.39 0.05 -0.27 0.00 3.38 -1.47 -2.50 115.31 114.89 2yuf h LEU 119 Ca 0.06 -0.05 -0.21 0.00 0.09 0.00 0.00 57.88 57.77 2yuf h LEU 119 Cb 0.65 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2yuf h LEU 119 CO 0.05 0.93 -0.78 0.00 0.09 0.00 0.00 178.44 178.73 2yuf h ALA 120 N 1.06 0.44 -0.00 1.53 0.00 -1.00 -3.20 119.26 118.09 2yuf h ALA 120 Ca -0.02 -0.62 -0.17 0.00 0.00 0.00 0.00 54.91 54.11 2yuf h ALA 120 Cb 1.59 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 2yuf h ALA 120 CO 0.12 0.73 -0.80 0.00 0.00 0.00 0.00 179.25 179.30 2yuf h ARG 121 N 0.39 0.02 -0.02 0.00 3.08 -1.34 -1.77 114.38 114.74 2yuf h ARG 121 Ca -0.05 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2yuf h ARG 121 Cb 1.39 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.44 2yuf h ARG 121 CO 0.15 0.81 -0.10 0.37 -1.07 0.00 0.00 179.97 180.13 2yuf h GLN 122 N 0.01 0.03 0.00 0.04 4.15 -1.44 -2.70 115.11 115.20 2yuf h GLN 122 Ca -0.01 -0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.07 2yuf h GLN 122 Cb 1.41 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 29.03 2yuf h GLN 122 CO 0.11 0.13 -2.09 -0.89 -1.93 0.00 0.00 178.83 174.16 2yuf n ILE 123 N -4.41 1.50 0.16 2.39 5.41 -1.19 -3.98 119.36 119.23 2yuf n ILE 123 Ca -0.02 -0.82 0.09 0.00 1.00 0.00 0.00 62.75 62.99 2yuf n ILE 123 Cb 0.18 -0.76 0.59 0.00 -0.71 0.00 0.00 39.64 38.94 2yuf n ILE 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2yuf h SER 124 N 0.00 0.13 0.91 4.38 0.02 -1.04 -1.30 113.55 116.64 2yuf h SER 124 Ca -0.43 -0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.29 2yuf h SER 124 Cb 2.14 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 64.62 2yuf h SER 124 CO 0.05 0.09 -1.07 0.03 -1.14 0.00 0.00 176.83 174.79 2yuf h ARG 125 N 0.15 0.06 -0.09 3.45 3.08 -1.66 -3.08 114.38 116.29 2yuf h ARG 125 Ca 0.08 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 2yuf h ARG 125 Cb 0.12 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2yuf h ARG 125 CO -0.01 1.04 -0.27 1.49 -1.07 0.00 0.00 179.97 181.15 2yuf h GLU 126 N 0.02 0.17 0.09 0.04 4.81 -1.38 -1.31 114.58 117.00 2yuf h GLU 126 Ca -0.04 -0.05 -0.27 0.00 -0.13 0.00 0.00 59.36 58.86 2yuf h GLU 126 Cb 1.82 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 31.20 2yuf h GLU 126 CO 0.15 0.43 -1.15 0.28 -0.73 0.00 0.00 179.01 177.98 2yuf h VAL 127 N 0.15 1.37 0.00 0.32 2.07 -1.48 -3.25 116.25 115.42 2yuf h VAL 127 Ca 0.02 -2.59 -0.11 0.00 0.82 0.00 0.00 66.70 64.84 2yuf h VAL 127 Cb 0.56 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 2yuf h VAL 127 CO 0.04 0.77 -0.54 0.74 0.02 0.00 0.00 177.57 178.61 2yuf h THR 128 N 0.22 1.35 0.33 2.57 2.02 -1.42 -3.06 112.91 114.93 2yuf h THR 128 Ca -0.14 -1.87 -0.02 0.00 0.77 0.00 0.00 66.41 65.15 2yuf h THR 128 Cb 1.82 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 70.25 2yuf h THR 128 CO 0.21 0.53 -0.18 0.22 0.37 0.00 0.00 175.52 176.66 2yuf h TYR 129 N 0.00 -0.48 -2.24 3.16 5.03 -1.28 -3.26 116.97 117.90 2yuf h TYR 129 Ca -0.01 -0.01 -0.81 0.00 2.58 0.00 0.00 58.73 60.49 2yuf h TYR 129 Cb 0.97 0.17 -0.27 0.00 1.55 0.00 0.00 36.73 39.15 2yuf h TYR 129 CO 0.00 -0.28 1.02 1.63 -1.32 0.00 0.00 178.16 179.21 2yuf n LYS 130 N -3.39 5.30 -0.07 1.82 5.02 -1.24 -4.68 118.16 120.93 2yuf n LYS 130 Ca -0.06 -4.62 -0.05 0.00 -2.02 0.00 0.00 58.31 51.57 2yuf n LYS 130 Cb 0.19 -2.46 -0.02 0.00 -0.02 0.00 0.00 35.03 32.73 2yuf n LYS 130 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2yuf n TYR 131 N -0.09 0.84 -3.29 2.13 4.19 -1.16 -4.97 117.16 114.82 2yuf n TYR 131 Ca 0.47 0.36 -0.04 0.00 3.31 0.00 0.00 57.90 62.00 2yuf n TYR 131 Cb 0.26 -0.74 -0.05 0.00 0.49 0.00 0.00 39.34 39.30 2yuf n TYR 131 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 2yuf s THR 132 N -2.25 -0.75 0.42 2.97 -4.23 -1.26 -5.11 115.64 105.43 2yuf s THR 132 Ca -0.15 -0.04 -0.25 0.00 -1.18 0.00 0.00 61.69 60.07 2yuf s THR 132 Cb 0.02 -0.88 -0.08 0.00 1.34 0.00 0.00 72.50 72.90 2yuf s THR 132 CO 0.23 -0.07 1.25 -0.31 -0.54 0.00 0.00 174.62 175.18 2yuf s TYR 133 N 2.66 2.85 0.12 3.99 1.51 -1.26 -5.04 117.35 122.18 2yuf s TYR 133 Ca 0.15 1.46 0.01 0.00 -1.01 0.00 0.00 57.07 57.68 2yuf s TYR 133 Cb -0.15 -3.57 0.01 0.00 -0.11 0.00 0.00 41.96 38.14 2yuf s TYR 133 CO -0.18 -1.87 0.05 0.54 -1.11 0.00 0.00 175.55 172.98 2yuf n ARG 134 N -0.06 1.49 -2.66 -0.62 5.12 -1.26 -5.08 116.66 113.60 2yuf n ARG 134 Ca 0.05 -0.81 -0.43 0.00 -1.93 0.00 0.00 57.85 54.73 2yuf n ARG 134 Cb 0.45 0.15 -0.03 0.00 -1.16 0.00 0.00 32.46 31.87 2yuf n ARG 134 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2yuf s THR 135 N -0.97 4.25 0.39 0.55 -4.23 -1.26 -4.90 115.64 109.47 2yuf s THR 135 Ca 0.04 1.06 0.06 0.00 -1.18 0.00 0.00 61.69 61.66 2yuf s THR 135 Cb -0.00 -4.58 0.26 0.00 1.34 0.00 0.00 72.50 69.52 2yuf s THR 135 CO 0.02 -1.01 2.03 0.71 -0.54 0.00 0.00 174.62 175.84 2yuf h THR 136 N 6.19 1.13 -0.35 3.99 1.35 -2.05 -3.39 112.91 119.78 2yuf h THR 136 Ca -0.23 -0.27 -0.09 0.00 -0.55 0.00 0.00 66.41 65.27 2yuf h THR 136 Cb 1.06 0.47 -0.15 0.00 -1.73 0.00 0.00 68.15 67.81 2yuf h THR 136 CO 1.11 0.13 -0.27 -0.24 -0.25 0.00 0.00 175.52 176.00 2yuf n SER 137 N -4.45 -2.23 -4.15 5.36 2.88 -1.26 -5.11 113.62 104.65 2yuf n SER 137 Ca 0.04 -2.04 -0.39 0.00 -1.33 0.00 0.00 58.87 55.15 2yuf n SER 137 Cb 0.07 1.20 -0.09 0.00 -0.75 0.00 0.00 64.21 64.64 2yuf n SER 137 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yuf s GLY 138 N 0.28 2.26 -0.41 0.46 0.00 -1.26 -5.05 107.32 103.61 2yuf s GLY 138 Ca 0.27 -2.89 -0.28 0.00 0.00 0.00 0.00 44.72 41.83 2yuf s GLY 138 CO -0.11 1.10 1.83 2.56 0.00 0.00 0.00 173.10 178.48 2yuf s PRO 139 N 0.65 3.12 0.79 2.90 0.04 -1.26 -4.98 135.00 136.26 2yuf s PRO 139 Ca 0.12 1.22 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 2yuf s PRO 139 Cb -0.22 -4.26 0.07 0.00 0.04 0.00 0.00 34.50 30.14 2yuf s PRO 139 CO -0.03 -2.12 1.09 -1.54 0.04 0.00 0.00 177.00 174.43 2yuf s SER 140 N 6.78 4.42 0.15 6.66 1.04 -1.26 -4.96 113.70 126.53 2yuf s SER 140 Ca 0.77 1.63 0.00 0.00 0.48 0.00 0.00 55.95 58.83 2yuf s SER 140 Cb -0.20 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2yuf s SER 140 CO 0.30 -2.06 0.00 -1.20 0.98 0.00 0.00 173.24 171.26 2yuf n SER 141 N -3.53 -1.38 0.00 7.02 7.64 -1.26 -5.34 113.62 116.78 2yuf n SER 141 Ca 0.08 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.26 2yuf n SER 141 Cb 0.54 1.62 0.00 0.00 -1.01 0.00 0.00 64.21 65.36 2yuf n SER 141 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64