#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 0.66 -0.01 1.61 2.88 -1.26 -4.94 113.62 112.56 2yuf n SER 2 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 2yuf n SER 2 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 2yuf n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yuf n SER 3 N -2.43 0.93 -0.02 -3.46 7.64 -1.26 -4.95 113.62 110.07 2yuf n SER 3 Ca 0.00 0.14 -0.03 0.00 1.01 0.00 0.00 58.87 59.99 2yuf n SER 3 Cb 0.22 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 62.98 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 2.58 -0.15 2.35 0.23 0.00 -1.26 -5.12 105.19 103.82 2yuf n GLY 4 Ca -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 2yuf n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yuf n SER 5 N -2.35 -7.31 0.09 1.61 2.88 -1.26 -4.91 113.62 102.37 2yuf n SER 5 Ca -0.08 1.68 0.00 0.00 -1.33 0.00 0.00 58.87 59.15 2yuf n SER 5 Cb 0.62 -5.06 0.00 0.00 -0.75 0.00 0.00 64.21 59.02 2yuf n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yuf n SER 6 N 1.73 -0.71 0.00 -3.46 7.64 -1.26 -4.93 113.62 112.63 2yuf n SER 6 Ca -0.09 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2yuf n SER 6 Cb 0.14 0.82 0.00 0.00 -1.01 0.00 0.00 64.21 64.16 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 0.60 3.15 3.92 0.23 0.00 -1.26 -5.16 105.19 106.67 2yuf n GLY 7 Ca 0.00 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.38 2.43 0.04 1.61 8.01 -1.26 -5.05 118.70 121.10 2yuf s GLU 8 Ca 0.00 -1.68 -0.26 0.00 0.01 0.00 0.00 54.97 53.04 2yuf s GLU 8 Cb 0.00 -2.37 -0.17 0.00 -4.31 0.00 0.00 34.13 27.28 2yuf s GLU 8 CO 0.00 -0.45 1.50 0.00 0.01 0.00 0.00 175.26 176.32 2yuf h ALA 9 N 0.76 -0.25 -3.28 5.21 0.00 -2.00 -3.44 119.26 116.25 2yuf h ALA 9 Ca -0.38 -0.12 -0.32 0.00 0.00 0.00 0.00 54.91 54.09 2yuf h ALA 9 Cb 1.28 0.10 0.16 0.00 0.00 0.00 0.00 17.79 19.33 2yuf h ALA 9 CO 0.53 -0.55 0.07 1.28 0.00 0.00 0.00 179.25 180.58 2yuf n LEU 10 N -5.12 0.00 0.00 0.00 4.77 -1.26 -5.07 117.00 110.32 2yuf n LEU 10 Ca -0.09 -0.92 -0.14 0.00 -0.03 0.00 0.00 56.01 54.84 2yuf n LEU 10 Cb 0.18 -0.81 0.06 0.00 -2.33 0.00 0.00 43.42 40.52 2yuf n LEU 10 CO 0.33 -2.02 0.31 0.47 -1.33 0.00 0.00 177.39 175.15 2yuf n ASP 11 N -4.60 1.10 0.11 -1.43 8.00 -1.26 -4.89 116.55 113.58 2yuf n ASP 11 Ca 0.12 -1.86 -0.03 0.00 0.71 0.00 0.00 54.79 53.73 2yuf n ASP 11 Cb 0.48 -0.35 0.11 0.00 -0.02 0.00 0.00 41.12 41.33 2yuf n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yuf h ALA 12 N -0.19 0.84 0.02 2.24 0.00 -1.97 -1.51 119.26 118.69 2yuf h ALA 12 Ca -0.20 -0.62 -0.28 0.00 0.00 0.00 0.00 54.91 53.81 2yuf h ALA 12 Cb 0.80 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2yuf h ALA 12 CO 0.24 0.84 -1.59 0.00 0.00 0.00 0.00 179.25 178.73 2yuf h ALA 13 N 1.27 0.65 0.00 0.00 0.00 -1.97 -2.89 119.26 116.32 2yuf h ALA 13 Ca -0.01 -1.35 -0.18 0.00 0.00 0.00 0.00 54.91 53.37 2yuf h ALA 13 Cb 1.22 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 2yuf h ALA 13 CO 0.09 1.49 -0.85 0.00 0.00 0.00 0.00 179.25 179.98 2yuf h ALA 14 N 0.91 0.59 0.02 0.00 0.00 -1.94 -3.25 119.26 115.59 2yuf h ALA 14 Ca -0.24 -0.76 -0.25 0.00 0.00 0.00 0.00 54.91 53.65 2yuf h ALA 14 Cb 1.97 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 2yuf h ALA 14 CO 0.09 1.02 -1.33 0.00 0.00 0.00 0.00 179.25 179.03 2yuf h ALA 15 N 1.11 0.48 -0.12 0.00 0.00 -1.41 -3.29 119.26 116.03 2yuf h ALA 15 Ca -0.02 -1.13 -0.00 0.00 0.00 0.00 0.00 54.91 53.76 2yuf h ALA 15 Cb 1.50 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2yuf h ALA 15 CO 0.12 1.34 0.07 -0.07 0.00 0.00 0.00 179.25 180.71 2yuf h LEU 16 N 0.01 0.14 -0.04 0.00 3.38 -1.55 0.79 115.31 118.06 2yuf h LEU 16 Ca -0.14 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.66 2yuf h LEU 16 Cb 1.90 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 42.62 2yuf h LEU 16 CO 0.12 0.12 -0.61 -1.28 0.09 0.00 0.00 178.44 176.88 2yuf h SER 17 N 0.17 0.60 0.31 -0.43 0.87 -1.64 -2.70 113.55 110.72 2yuf h SER 17 Ca 0.04 -0.72 -0.10 0.00 -1.23 0.00 0.00 61.79 59.78 2yuf h SER 17 Cb 0.00 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 2yuf h SER 17 CO -0.01 1.23 -0.43 0.58 -0.53 0.00 0.00 176.83 177.67 2yuf h VAL 18 N 0.02 1.32 -0.01 2.23 2.07 -1.50 0.42 116.25 120.79 2yuf h VAL 18 Ca -0.07 -1.55 -0.14 0.00 0.82 0.00 0.00 66.70 65.77 2yuf h VAL 18 Cb 1.29 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 2yuf h VAL 18 CO 0.12 0.46 -0.63 0.00 0.02 0.00 0.00 177.57 177.54 2yuf h ALA 19 N 1.43 0.93 0.02 1.67 0.00 -0.89 -0.32 119.26 122.10 2yuf h ALA 19 Ca 0.01 -0.57 -0.28 0.00 0.00 0.00 0.00 54.91 54.08 2yuf h ALA 19 Cb 0.82 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2yuf h ALA 19 CO 0.06 0.77 -1.53 0.93 0.00 0.00 0.00 179.25 179.48 2yuf h GLU 20 N 0.04 0.04 0.09 0.00 4.39 -1.24 -3.31 114.58 114.58 2yuf h GLU 20 Ca -0.01 -0.07 -0.26 0.00 0.34 0.00 0.00 59.36 59.36 2yuf h GLU 20 Cb 1.11 0.03 0.03 0.00 -0.10 0.00 0.00 28.75 29.82 2yuf h GLU 20 CO 0.09 0.72 -1.09 0.00 -1.16 0.00 0.00 179.01 177.57 2yuf h VAL 22 N 0.19 0.98 0.00 0.00 3.04 -1.20 0.17 116.25 119.42 2yuf h VAL 22 Ca -0.16 -0.08 -0.02 0.00 -1.01 0.00 0.00 66.70 65.44 2yuf h VAL 22 Cb 1.78 0.74 -0.00 0.00 -2.01 0.00 0.00 31.29 31.79 2yuf h VAL 22 CO 0.21 0.04 -0.72 -0.33 -1.01 0.00 0.00 177.57 175.76 2yuf h GLU 23 N 0.22 0.00 0.00 4.17 5.08 -1.64 -2.92 114.58 119.49 2yuf h GLU 23 Ca 0.12 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.28 2yuf h GLU 23 Cb 0.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2yuf h GLU 23 CO -0.02 0.04 -1.26 -0.09 -1.00 0.00 0.00 179.01 176.68 2yuf h ARG 24 N 0.00 0.00 0.00 2.33 2.43 -0.75 -3.35 114.38 115.05 2yuf h ARG 24 Ca -0.01 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 2yuf h ARG 24 Cb 1.06 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 2yuf h ARG 24 CO 0.01 0.51 -1.33 0.00 -1.51 0.00 0.00 179.97 177.65 2yuf h MET 25 N 0.00 0.00 0.06 0.20 -0.00 -0.83 -3.37 114.93 110.99 2yuf h MET 25 Ca -0.14 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.58 2yuf h MET 25 Cb 1.70 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 33.27 2yuf h MET 25 CO 0.07 0.42 -0.19 0.00 -0.00 0.00 0.00 176.91 177.22 2yuf h ALA 26 N 1.30 -0.28 -0.80 -3.00 0.00 -1.64 0.29 119.26 115.13 2yuf h ALA 26 Ca -0.16 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.82 2yuf h ALA 26 Cb 1.67 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 19.71 2yuf h ALA 26 CO 0.06 -0.70 0.46 -1.35 0.00 0.00 0.00 179.25 177.72 2yuf h PRO 27 N -0.34 0.77 -0.03 0.00 0.11 -1.73 -1.66 132.00 129.12 2yuf h PRO 27 Ca 0.04 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.96 2yuf h PRO 27 Cb 0.38 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 2yuf h PRO 27 CO -0.14 0.51 -0.65 1.79 -0.21 0.00 0.00 178.00 179.30 2yuf h THR 28 N 0.79 1.43 -4.04 -1.15 1.35 -1.64 -3.45 112.91 106.20 2yuf h THR 28 Ca 0.37 -2.15 -0.54 0.00 -0.55 0.00 0.00 66.41 63.55 2yuf h THR 28 Cb 0.30 2.14 0.19 0.00 -1.73 0.00 0.00 68.15 69.05 2yuf h THR 28 CO -0.23 0.62 0.20 0.18 -0.25 0.00 0.00 175.52 176.04 2yuf n LEU 29 N -3.81 3.73 -4.66 3.87 4.77 0.10 -4.99 117.00 116.01 2yuf n LEU 29 Ca -0.02 0.57 -0.28 0.00 -0.03 0.00 0.00 56.01 56.24 2yuf n LEU 29 Cb 0.64 -1.46 0.19 0.00 -2.33 0.00 0.00 43.42 40.46 2yuf n LEU 29 CO 0.44 -1.98 0.63 -2.16 -1.33 0.00 0.00 177.39 172.99 2yuf s PRO 30 N -3.95 0.23 -0.13 3.23 0.04 -1.26 -4.98 135.00 128.18 2yuf s PRO 30 Ca 0.71 0.50 -0.06 0.00 0.04 0.00 0.00 61.00 62.19 2yuf s PRO 30 Cb -0.29 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2yuf s PRO 30 CO 0.53 -2.86 0.10 0.15 0.04 0.00 0.00 177.00 174.95 2yuf s LYS 31 N -4.94 3.47 -0.07 4.56 1.02 -1.26 -5.07 119.74 117.45 2yuf s LYS 31 Ca 0.66 -0.23 0.05 0.00 0.02 0.00 0.00 55.97 56.46 2yuf s LYS 31 Cb -0.19 -3.12 -0.00 0.00 -0.52 0.00 0.00 37.83 34.00 2yuf s LYS 31 CO 0.58 0.65 -0.21 -1.54 -0.92 0.00 0.00 175.35 173.91 2yuf s SER 32 N -0.69 2.69 -0.22 2.83 1.04 -1.26 -5.11 113.70 112.98 2yuf s SER 32 Ca 0.12 -0.46 -0.25 0.00 0.48 0.00 0.00 55.95 55.85 2yuf s SER 32 Cb -0.12 -0.92 -0.01 0.00 0.10 0.00 0.00 66.02 65.08 2yuf s SER 32 CO 0.03 0.18 0.83 -1.81 0.98 0.00 0.00 173.24 173.44 2yuf s ASP 33 N 0.10 6.86 0.49 7.02 1.01 -1.26 -4.93 116.67 125.96 2yuf s ASP 33 Ca -0.09 1.07 0.14 0.00 0.71 0.00 0.00 52.55 54.38 2yuf s ASP 33 Cb -0.14 -2.44 1.14 0.00 1.01 0.00 0.00 42.92 42.49 2yuf s ASP 33 CO 0.05 -0.49 2.10 -0.07 0.21 0.00 0.00 175.17 176.97 2yuf h LEU 34 N 8.97 0.08 -0.44 1.23 3.38 -1.99 -2.45 115.31 124.09 2yuf h LEU 34 Ca -0.25 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.74 2yuf h LEU 34 Cb 1.10 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 2yuf h LEU 34 CO 0.86 0.10 0.25 -1.13 0.09 0.00 0.00 178.44 178.62 2yuf h ASN 35 N 0.09 0.40 0.83 -0.43 -1.24 -1.98 0.40 115.58 113.64 2yuf h ASN 35 Ca 0.02 0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.00 2yuf h ASN 35 Cb 0.07 -0.07 0.01 0.00 0.73 0.00 0.00 38.32 39.05 2yuf h ASN 35 CO 0.00 0.28 -0.40 -0.33 -1.29 0.00 0.00 177.43 175.70 2yuf h GLU 36 N 0.51 -1.07 -0.15 6.67 3.07 -1.86 -2.55 114.58 119.19 2yuf h GLU 36 Ca 0.18 0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 2yuf h GLU 36 Cb 0.03 0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 2yuf h GLU 36 CO -0.09 -0.71 0.10 -0.39 -1.40 0.00 0.00 179.01 176.52 2yuf h VAL 37 N -1.15 1.03 -0.14 3.13 -1.51 -1.45 -1.20 116.25 114.97 2yuf h VAL 37 Ca -0.11 -0.07 -0.02 0.00 -1.23 0.00 0.00 66.70 65.26 2yuf h VAL 37 Cb 0.86 0.82 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 2yuf h VAL 37 CO 0.19 0.04 -0.03 0.11 -1.23 0.00 0.00 177.57 176.65 2yuf h LYS 38 N 0.20 0.20 0.00 5.19 1.57 0.05 -1.96 116.57 121.82 2yuf h LYS 38 Ca 0.06 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.63 2yuf h LYS 38 Cb -0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2yuf h LYS 38 CO -0.01 0.24 -0.85 0.93 -0.57 0.00 0.00 179.45 179.19 2yuf h GLU 39 N 0.19 0.07 -0.09 3.15 5.08 -0.81 -3.17 114.58 119.00 2yuf h GLU 39 Ca 0.05 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2yuf h GLU 39 Cb 0.18 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2yuf h GLU 39 CO 0.01 0.87 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.66 2yuf h LEU 40 N 0.04 0.13 -0.32 1.33 3.38 -1.19 -2.53 115.31 116.14 2yuf h LEU 40 Ca -0.02 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 2yuf h LEU 40 Cb 1.48 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.20 2yuf h LEU 40 CO 0.12 0.30 -0.62 -0.07 0.09 0.00 0.00 178.44 178.26 2yuf h LEU 41 N 0.13 0.86 -1.59 1.67 3.38 -1.49 -2.62 115.31 115.65 2yuf h LEU 41 Ca 0.03 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 2yuf h LEU 41 Cb 0.36 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2yuf h LEU 41 CO 0.02 1.27 -0.21 0.11 0.09 0.00 0.00 178.44 179.72 2yuf h LYS 42 N 0.56 0.00 0.07 1.13 1.57 -1.48 -2.65 116.57 115.77 2yuf h LYS 42 Ca -0.01 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 2yuf h LYS 42 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 2yuf h LYS 42 CO 0.13 0.21 -1.15 1.79 -0.57 0.00 0.00 179.45 179.86 2yuf h THR 43 N 0.00 1.58 -1.82 -0.16 1.35 -1.35 -3.46 112.91 109.05 2yuf h THR 43 Ca -0.00 -3.21 -0.44 0.00 -0.55 0.00 0.00 66.41 62.20 2yuf h THR 43 Cb 0.49 2.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 2yuf h THR 43 CO 0.03 0.92 -0.35 0.21 -0.25 0.00 0.00 175.52 176.08 2yuf s ASN 44 N -6.93 5.96 -0.03 5.36 3.84 -1.00 -5.06 114.94 117.09 2yuf s ASN 44 Ca -0.02 -0.19 -0.02 0.00 0.21 0.00 0.00 52.86 52.85 2yuf s ASN 44 Cb 0.08 -1.25 -0.01 0.00 -0.55 0.00 0.00 41.25 39.52 2yuf s ASN 44 CO 0.85 -0.41 -0.04 0.29 -2.79 0.00 0.00 177.10 175.00 2yuf n LYS 45 N -1.62 0.07 -0.32 0.43 4.01 -1.26 -4.29 118.16 115.18 2yuf n LYS 45 Ca -0.01 0.03 -0.03 0.00 -0.51 0.00 0.00 58.31 57.79 2yuf n LYS 45 Cb 0.58 -0.62 0.09 0.00 -0.51 0.00 0.00 35.03 34.57 2yuf n LYS 45 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 2yuf h LYS 46 N -0.12 1.12 -0.08 1.97 1.79 -1.97 -1.97 116.57 117.31 2yuf h LYS 46 Ca -0.08 -0.07 -0.18 0.00 -2.18 0.00 0.00 60.65 58.14 2yuf h LYS 46 Cb 1.02 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 31.41 2yuf h LYS 46 CO -0.05 0.74 -0.71 -0.07 -1.08 0.00 0.00 179.45 178.28 2yuf h LEU 47 N 1.15 0.44 -1.44 2.94 3.38 -1.93 -1.34 115.31 118.51 2yuf h LEU 47 Ca 0.32 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2yuf h LEU 47 Cb -0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2yuf h LEU 47 CO -0.07 1.01 0.06 0.00 0.09 0.00 0.00 178.44 179.53 2yuf h ALA 48 N 0.98 1.56 0.00 1.53 0.00 -1.61 -0.60 119.26 121.11 2yuf h ALA 48 Ca -0.03 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.52 2yuf h ALA 48 Cb 1.27 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2yuf h ALA 48 CO 0.12 0.33 -1.45 -0.22 0.00 0.00 0.00 179.25 178.03 2yuf h LYS 49 N 0.42 0.00 0.16 0.00 1.63 -1.31 -2.22 116.57 115.25 2yuf h LYS 49 Ca 0.10 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 2yuf h LYS 49 Cb 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 2yuf h LYS 49 CO -0.00 0.49 -0.08 1.98 -3.45 0.00 0.00 179.45 178.40 2yuf h MET 50 N 0.00 -0.20 0.00 1.90 4.05 -0.82 -3.42 114.93 116.43 2yuf h MET 50 Ca -0.20 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 2yuf h MET 50 Cb 1.81 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.66 2yuf h MET 50 CO 0.07 -0.14 0.00 0.44 0.23 0.00 0.00 176.91 177.52 2yuf n ILE 51 N -2.86 0.00 0.27 1.77 -5.35 -0.67 -4.70 119.36 107.83 2yuf n ILE 51 Ca -0.03 -0.45 0.11 0.00 -0.27 0.00 0.00 62.75 62.11 2yuf n ILE 51 Cb 0.08 1.07 0.74 0.00 -1.74 0.00 0.00 39.64 39.79 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 0.00 0.00 2.00 3.28 0.00 -0.55 -1.55 103.07 106.25 2yuf h GLY 52 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 2yuf h GLY 52 CO 0.00 0.00 -0.89 1.12 0.00 0.00 0.00 176.54 176.77 2yuf h HIS 53 N 0.00 0.00 -0.04 5.60 2.07 -1.73 -3.24 115.15 117.81 2yuf h HIS 53 Ca -0.00 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.43 2yuf h HIS 53 Cb 0.07 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.04 2yuf h HIS 53 CO 0.00 0.89 -0.37 0.82 -3.07 0.00 0.00 177.93 176.20 2yuf h ILE 54 N 0.00 1.28 -0.68 6.12 2.04 -1.59 -2.87 117.51 121.80 2yuf h ILE 54 Ca -0.01 -1.34 -0.07 0.00 1.00 0.00 0.00 64.86 64.44 2yuf h ILE 54 Cb 1.64 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 39.36 2yuf h ILE 54 CO 0.12 0.39 0.14 -0.26 0.00 0.00 0.00 178.15 178.54 2yuf h PHE 55 N 0.07 1.17 -0.03 1.37 0.04 -1.54 -2.64 116.94 115.38 2yuf h PHE 55 Ca 0.01 -0.15 -0.09 0.00 2.80 0.00 0.00 57.97 60.53 2yuf h PHE 55 Cb 0.69 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 2yuf h PHE 55 CO 0.00 0.97 -0.41 0.93 -0.60 0.00 0.00 178.31 179.20 2yuf h GLU 56 N 1.04 0.06 -7.06 1.51 5.08 -1.61 -3.44 114.58 110.16 2yuf h GLU 56 Ca 0.21 -0.03 -0.56 0.00 -1.00 0.00 0.00 59.36 57.99 2yuf h GLU 56 Cb 0.40 -0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.81 2yuf h GLU 56 CO 0.01 0.47 0.52 -0.12 -1.00 0.00 0.00 179.01 178.89 2yuf n MET 57 N -4.04 1.32 -1.57 2.33 1.56 -1.00 -4.99 117.12 110.73 2yuf n MET 57 Ca -0.02 0.50 -0.29 0.00 -0.27 0.00 0.00 57.70 57.62 2yuf n MET 57 Cb 0.45 -2.53 0.12 0.00 2.15 0.00 0.00 33.22 33.41 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 -1.19 3.89 0.12 6.12 3.84 -1.26 -4.98 114.94 121.47 2yuf s ASN 58 Ca 0.78 1.06 0.06 0.00 0.21 0.00 0.00 52.86 54.97 2yuf s ASN 58 Cb -0.40 -1.68 -0.20 0.00 -0.55 0.00 0.00 41.25 38.42 2yuf s ASN 58 CO 0.44 -2.32 1.28 -0.78 -2.79 0.00 0.00 177.10 172.92 2yuf h ASP 59 N -1.34 0.05 -1.18 -4.21 3.58 -1.96 -3.31 116.42 108.05 2yuf h ASP 59 Ca -0.49 -0.05 -0.55 0.00 0.42 0.00 0.00 57.03 56.36 2yuf h ASP 59 Cb 1.31 -0.01 -0.20 0.00 1.72 0.00 0.00 39.33 42.14 2yuf h ASP 59 CO 0.61 1.03 0.59 -0.67 -2.88 0.00 0.00 179.24 177.92 2yuf n ASP 60 N -3.38 6.82 -4.02 2.28 -0.08 -1.26 -4.84 116.55 112.07 2yuf n ASP 60 Ca -0.01 -3.38 -0.31 0.00 -1.51 0.00 0.00 54.79 49.58 2yuf n ASP 60 Cb 0.94 -1.15 -0.15 0.00 2.34 0.00 0.00 41.12 43.10 2yuf n ASP 60 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2yuf s ASP 61 N -0.19 4.65 0.58 1.67 -1.08 -1.25 -4.98 116.67 116.08 2yuf s ASP 61 Ca 0.54 -1.96 0.30 0.00 -0.52 0.00 0.00 52.55 50.91 2yuf s ASP 61 Cb 0.39 -1.57 1.40 0.00 -1.46 0.00 0.00 42.92 41.67 2yuf s ASP 61 CO -0.21 -0.34 1.77 -0.65 0.52 0.00 0.00 175.17 176.25 2yuf h PRO 62 N 7.67 0.00 0.00 4.34 0.11 -1.93 0.73 132.00 142.92 2yuf h PRO 62 Ca -0.08 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.93 2yuf h PRO 62 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2yuf h PRO 62 CO 0.50 0.00 -0.47 0.45 -0.21 0.00 0.00 178.00 178.27 2yuf h HIS 63 N 0.00 0.00 -0.12 0.65 3.86 -1.98 -3.25 115.15 114.31 2yuf h HIS 63 Ca 0.35 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.59 2yuf h HIS 63 Cb 1.77 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 30.21 2yuf h HIS 63 CO 0.00 0.47 -0.07 -0.22 0.86 0.00 0.00 177.93 178.97 2yuf h LYS 64 N 0.00 -0.07 -0.15 2.45 3.64 0.16 -1.45 116.57 121.16 2yuf h LYS 64 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2yuf h LYS 64 Cb 1.05 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 2yuf h LYS 64 CO 0.06 -0.05 0.00 0.93 -2.27 0.00 0.00 179.45 178.13 2yuf h GLU 65 N -0.07 0.21 -0.14 1.90 3.07 -1.65 -0.33 114.58 117.57 2yuf h GLU 65 Ca 0.07 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.81 2yuf h GLU 65 Cb 0.18 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 2yuf h GLU 65 CO -0.16 0.23 -0.32 0.93 -1.40 0.00 0.00 179.01 178.28 2yuf h GLU 66 N 0.21 0.27 0.18 2.33 5.08 -1.35 0.62 114.58 121.92 2yuf h GLU 66 Ca 0.05 -0.11 -0.27 0.00 -1.00 0.00 0.00 59.36 58.03 2yuf h GLU 66 Cb 0.14 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.40 2yuf h GLU 66 CO 0.00 0.57 -1.27 0.93 -1.00 0.00 0.00 179.01 178.24 2yuf h GLU 67 N 0.24 0.38 -0.21 2.33 4.39 -0.43 -3.28 114.58 118.01 2yuf h GLU 67 Ca 0.03 -0.66 -0.10 0.00 0.34 0.00 0.00 59.36 58.97 2yuf h GLU 67 Cb 0.69 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2yuf h GLU 67 CO 0.05 1.31 -0.31 0.82 -1.16 0.00 0.00 179.01 179.72 2yuf h ILE 68 N -0.13 1.28 -0.57 3.13 2.04 -1.05 -2.87 117.51 119.35 2yuf h ILE 68 Ca -0.24 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 2yuf h ILE 68 Cb 1.90 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 39.42 2yuf h ILE 68 CO 0.18 0.43 0.32 0.03 0.00 0.00 0.00 178.15 179.10 2yuf h ARG 69 N 0.37 0.78 0.03 2.37 3.08 -0.98 0.07 114.38 120.10 2yuf h ARG 69 Ca 0.05 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2yuf h ARG 69 Cb 0.74 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.63 2yuf h ARG 69 CO 0.06 0.57 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.29 2yuf h LYS 70 N 0.79 -0.04 0.00 0.04 3.64 -1.56 -2.64 116.57 116.80 2yuf h LYS 70 Ca 0.20 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2yuf h LYS 70 Cb 0.01 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2yuf h LYS 70 CO -0.03 -0.01 -0.49 1.88 -2.27 0.00 0.00 179.45 178.53 2yuf h TYR 71 N -0.06 0.00 0.00 1.91 0.05 -1.52 -3.36 116.97 113.99 2yuf h TYR 71 Ca -0.00 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 58.15 2yuf h TYR 71 Cb 0.05 0.00 0.05 0.00 1.01 0.00 0.00 36.73 37.84 2yuf h TYR 71 CO -0.07 0.49 2.26 0.43 -1.05 0.00 0.00 178.16 180.21 2yuf n SER 72 N -3.86 2.54 -3.39 3.88 7.64 -0.01 -4.70 113.62 115.71 2yuf n SER 72 Ca -0.01 -2.64 0.01 0.00 1.01 0.00 0.00 58.87 57.23 2yuf n SER 72 Cb 0.52 -1.07 -0.03 0.00 -1.01 0.00 0.00 64.21 62.62 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 5.03 -2.11 -0.06 -0.43 0.00 -1.26 -4.76 121.76 118.17 2yuf s ALA 73 Ca 0.57 2.04 0.02 0.00 0.00 0.00 0.00 51.96 54.58 2yuf s ALA 73 Cb 0.14 -1.96 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 2yuf s ALA 73 CO 0.12 -1.14 -0.04 -0.89 0.00 0.00 0.00 175.76 173.82 2yuf n ILE 74 N 5.44 0.36 -0.13 0.00 5.41 -1.26 -4.84 119.36 124.34 2yuf n ILE 74 Ca -0.06 -0.16 -0.26 0.00 1.00 0.00 0.00 62.75 63.26 2yuf n ILE 74 Cb 0.50 -0.77 -0.10 0.00 -0.71 0.00 0.00 39.64 38.57 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 -2.55 0.29 -4.00 1.39 4.02 -1.26 -4.99 117.16 110.06 2yuf n TYR 75 Ca -0.11 0.12 -0.29 0.00 -0.01 0.00 0.00 57.90 57.62 2yuf n TYR 75 Cb 0.63 -1.00 -0.05 0.00 -0.02 0.00 0.00 39.34 38.91 2yuf n TYR 75 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2yuf s GLY 76 N -5.28 1.92 0.05 2.72 0.00 -1.26 -5.05 107.32 100.41 2yuf s GLY 76 Ca -0.35 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.35 2yuf s GLY 76 CO 0.51 -1.01 0.05 -2.13 0.00 0.00 0.00 173.10 170.52 2yuf n ARG 77 N -0.02 1.11 -0.06 2.90 0.63 -1.26 -4.70 116.66 115.26 2yuf n ARG 77 Ca -0.07 -0.26 -0.07 0.00 -0.92 0.00 0.00 57.85 56.53 2yuf n ARG 77 Cb 0.53 -0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.34 2yuf n ARG 77 CO 0.00 0.00 0.00 1.97 -2.51 0.00 0.00 177.63 177.09 2yuf n PHE 78 N -0.95 0.00 -5.15 -0.14 -1.74 -1.26 -4.99 117.46 103.23 2yuf n PHE 78 Ca 0.01 0.00 -0.32 0.00 -0.56 0.00 0.00 57.45 56.58 2yuf n PHE 78 Cb 0.05 -0.61 -0.15 0.00 1.52 0.00 0.00 39.48 40.29 2yuf n PHE 78 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2yuf s ASP 79 N -4.74 3.41 0.23 5.98 -1.08 -1.26 -5.12 116.67 114.10 2yuf s ASP 79 Ca -0.09 -0.37 -0.28 0.00 -0.52 0.00 0.00 52.55 51.29 2yuf s ASP 79 Cb 0.04 -0.55 -0.09 0.00 -1.46 0.00 0.00 42.92 40.86 2yuf s ASP 79 CO 0.47 0.33 0.89 -0.44 0.52 0.00 0.00 175.17 176.94 2yuf s SER 80 N -0.63 7.52 -0.13 -0.34 0.01 -1.26 -5.06 113.70 113.80 2yuf s SER 80 Ca 0.10 1.84 0.01 0.00 1.31 0.00 0.00 55.95 59.20 2yuf s SER 80 Cb -0.10 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.55 2yuf s SER 80 CO -0.00 0.14 -0.16 -0.75 0.41 0.00 0.00 173.24 172.87 2yuf s LYS 81 N -1.33 3.26 0.00 12.44 2.47 -1.26 -4.89 119.74 130.43 2yuf s LYS 81 Ca 0.41 -0.75 0.00 0.00 -1.56 0.00 0.00 55.97 54.07 2yuf s LYS 81 Cb -0.24 -2.56 0.00 0.00 -1.46 0.00 0.00 37.83 33.57 2yuf s LYS 81 CO 0.29 0.13 0.00 0.54 0.16 0.00 0.00 175.35 176.47 2yuf n ARG 82 N 3.72 0.00 -3.50 4.03 1.74 -1.26 -4.33 116.66 117.07 2yuf n ARG 82 Ca -0.19 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.86 2yuf n ARG 82 Cb 0.52 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.90 2yuf n ARG 82 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2yuf s LYS 83 N 0.00 0.45 0.15 5.56 -0.14 -1.26 -5.17 119.74 119.34 2yuf s LYS 83 Ca 0.00 1.07 0.06 0.00 -1.36 0.00 0.00 55.97 55.74 2yuf s LYS 83 Cb 0.00 0.39 -0.04 0.00 -1.68 0.00 0.00 37.83 36.50 2yuf s LYS 83 CO 0.00 -0.38 -0.13 0.34 -0.76 0.00 0.00 175.35 174.42 2yuf s ASP 84 N 2.74 2.11 0.00 2.83 -1.08 -1.26 -4.99 116.67 117.01 2yuf s ASP 84 Ca 0.04 -0.92 0.00 0.00 -0.52 0.00 0.00 52.55 51.15 2yuf s ASP 84 Cb -0.13 -0.07 0.00 0.00 -1.46 0.00 0.00 42.92 41.26 2yuf s ASP 84 CO -0.17 -0.20 0.00 0.61 0.52 0.00 0.00 175.17 175.93 2yuf n GLY 85 N 0.10 0.00 2.72 2.66 0.00 -1.26 -5.07 105.19 104.34 2yuf n GLY 85 Ca -0.12 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 2yuf n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuf s LYS 86 N -0.72 0.35 0.35 1.61 1.02 -1.26 -4.99 119.74 116.10 2yuf s LYS 86 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.14 2yuf s LYS 86 Cb 0.00 -0.94 0.00 0.00 -0.52 0.00 0.00 37.83 36.37 2yuf s LYS 86 CO 0.00 -0.36 0.00 1.58 -0.92 0.00 0.00 175.35 175.65 2yuf n HIS 87 N 5.20 -3.28 -1.95 3.18 -0.00 -1.26 -5.13 115.22 111.97 2yuf n HIS 87 Ca -0.06 0.86 -0.29 0.00 0.46 0.00 0.00 57.72 58.69 2yuf n HIS 87 Cb 0.50 1.82 0.13 0.00 -0.12 0.00 0.00 29.99 32.32 2yuf n HIS 87 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2yuf s LEU 88 N -6.86 2.63 0.00 0.27 1.43 -1.26 -5.03 118.68 109.87 2yuf s LEU 88 Ca 0.00 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 2yuf s LEU 88 Cb 0.00 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.44 2yuf s LEU 88 CO 0.00 -2.27 0.00 1.07 0.23 0.00 0.00 176.35 175.38 2yuf n THR 89 N -3.49 0.00 0.02 5.49 5.66 -1.26 -5.06 114.28 115.65 2yuf n THR 89 Ca 0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 2yuf n THR 89 Cb 0.60 -0.33 0.00 0.00 -1.55 0.00 0.00 70.33 69.05 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 -2.31 -0.44 -0.26 1.09 7.94 -1.26 -4.97 117.00 116.80 2yuf n LEU 90 Ca 0.00 0.45 -0.06 0.00 -1.11 0.00 0.00 56.01 55.29 2yuf n LEU 90 Cb 0.00 0.77 0.05 0.00 0.53 0.00 0.00 43.42 44.77 2yuf n LEU 90 CO 0.00 0.02 1.06 -0.74 -1.11 0.00 0.00 177.39 176.62 2yuf h HIS 91 N 0.00 1.02 -0.06 1.96 2.76 -1.98 -1.20 115.15 117.65 2yuf h HIS 91 Ca 0.00 -0.05 -0.04 0.00 -2.20 0.00 0.00 60.37 58.08 2yuf h HIS 91 Cb 0.00 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.64 2yuf h HIS 91 CO 0.00 0.76 -0.16 0.93 -1.30 0.00 0.00 177.93 178.16 2yuf h GLU 92 N 0.99 0.09 0.06 5.26 5.08 -1.97 -2.47 114.58 121.61 2yuf h GLU 92 Ca 0.24 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.34 2yuf h GLU 92 Cb 0.13 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2yuf h GLU 92 CO -0.03 0.25 -1.07 -0.07 -1.00 0.00 0.00 179.01 177.09 2yuf h LEU 93 N 0.09 0.40 -1.04 1.33 3.38 -1.79 -3.17 115.31 114.51 2yuf h LEU 93 Ca 0.02 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2yuf h LEU 93 Cb 0.33 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2yuf h LEU 93 CO 0.02 1.23 0.00 0.74 0.09 0.00 0.00 178.44 180.52 2yuf h THR 94 N 0.12 0.00 0.04 0.22 2.02 -0.78 -1.35 112.91 113.18 2yuf h THR 94 Ca -0.09 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 66.74 2yuf h THR 94 Cb 1.76 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 2yuf h THR 94 CO 0.17 0.00 -0.41 0.58 0.37 0.00 0.00 175.52 176.24 2yuf h VAL 95 N 0.00 1.59 -0.00 3.16 2.07 -1.47 -2.30 116.25 119.30 2yuf h VAL 95 Ca 0.00 -2.37 -0.16 0.00 0.82 0.00 0.00 66.70 64.99 2yuf h VAL 95 Cb 0.35 3.18 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 2yuf h VAL 95 CO 0.00 0.60 -0.76 -0.55 0.02 0.00 0.00 177.57 176.88 2yuf h ASN 96 N -0.83 0.05 0.88 0.57 7.08 -1.58 -2.97 115.58 118.78 2yuf h ASN 96 Ca -0.09 -0.04 -0.22 0.00 -3.08 0.00 0.00 56.30 52.87 2yuf h ASN 96 Cb 1.22 -0.01 -0.02 0.00 -2.08 0.00 0.00 38.32 37.42 2yuf h ASN 96 CO 0.01 0.79 -1.05 -0.33 -2.08 0.00 0.00 177.43 174.77 2yuf h GLU 97 N 0.02 0.08 -0.40 4.14 4.39 -1.39 -2.79 114.58 118.63 2yuf h GLU 97 Ca -0.01 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.47 2yuf h GLU 97 Cb 1.34 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.02 2yuf h GLU 97 CO 0.10 1.05 -0.12 0.00 -1.16 0.00 0.00 179.01 178.88 2yuf h ALA 98 N 0.90 0.56 0.00 3.43 0.00 -1.40 -2.98 119.26 119.76 2yuf h ALA 98 Ca -0.04 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 2yuf h ALA 98 Cb 1.80 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2yuf h ALA 98 CO 0.15 0.44 -0.47 0.00 0.00 0.00 0.00 179.25 179.37 2yuf h ALA 99 N 0.84 0.87 0.49 0.00 0.00 -1.61 -3.20 119.26 116.66 2yuf h ALA 99 Ca 0.10 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2yuf h ALA 99 Cb 0.65 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2yuf h ALA 99 CO 0.04 0.59 -0.44 0.00 0.00 0.00 0.00 179.25 179.45 2yuf h ALA 100 N 1.53 -1.00 -0.64 0.00 0.00 -1.34 -0.27 119.26 117.54 2yuf h ALA 100 Ca -0.00 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2yuf h ALA 100 Cb 1.09 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 19.46 2yuf h ALA 100 CO 0.06 -1.10 0.42 1.96 0.00 0.00 0.00 179.25 180.60 2yuf h GLN 101 N -0.93 0.81 -0.27 0.00 4.20 -1.64 -2.43 115.11 114.86 2yuf h GLN 101 Ca -0.05 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 2yuf h GLN 101 Cb 0.80 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2yuf h GLN 101 CO -0.03 0.54 0.16 -0.07 -0.67 0.00 0.00 178.83 178.75 2yuf h LEU 102 N 0.84 0.33 -1.27 1.46 3.38 -1.45 -2.02 115.31 116.59 2yuf h LEU 102 Ca 0.24 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.16 2yuf h LEU 102 Cb -0.06 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2yuf h LEU 102 CO -0.06 0.30 0.51 0.00 0.09 0.00 0.00 178.44 179.28 2yuf h VAL 104 N 0.98 1.16 -0.10 0.00 2.07 -1.11 -2.89 116.25 116.37 2yuf h VAL 104 Ca 0.29 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 2yuf h VAL 104 Cb -0.03 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2yuf h VAL 104 CO -0.08 0.12 -0.29 0.11 0.02 0.00 0.00 177.57 177.45 2yuf h LYS 105 N -0.17 0.18 -3.57 1.57 1.57 -1.03 -3.39 116.57 111.71 2yuf h LYS 105 Ca 0.00 -0.06 -0.56 0.00 -1.87 0.00 0.00 60.65 58.17 2yuf h LYS 105 Cb 0.20 -0.01 -0.40 0.00 0.08 0.00 0.00 32.23 32.10 2yuf h LYS 105 CO -0.00 0.46 -0.76 -0.51 -0.57 0.00 0.00 179.45 178.07 2yuf s ASP 106 N -6.89 3.54 0.40 0.86 1.11 0.14 -4.99 116.67 110.84 2yuf s ASP 106 Ca -0.04 -1.25 0.15 0.00 0.18 0.00 0.00 52.55 51.58 2yuf s ASP 106 Cb 0.14 -0.75 0.84 0.00 1.07 0.00 0.00 42.92 44.22 2yuf s ASP 106 CO 0.74 -0.36 1.87 -1.13 1.18 0.00 0.00 175.17 177.48 2yuf h ASN 107 N 8.16 0.00 -0.13 0.27 -0.73 -1.73 -2.56 115.58 118.86 2yuf h ASN 107 Ca -0.15 0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.05 2yuf h ASN 107 Cb 1.06 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.65 2yuf h ASN 107 CO 0.41 0.31 0.12 0.00 -0.37 0.00 0.00 177.43 177.91 2yuf h ALA 108 N 1.69 1.82 0.00 1.57 0.00 -1.94 -0.45 119.26 121.95 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 0.58 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2yuf h ALA 108 CO 0.04 -0.19 -0.21 -0.07 0.00 0.00 0.00 179.25 178.82 2yuf h LEU 109 N 0.00 0.00 -1.96 0.00 3.38 -1.77 -2.44 115.31 112.51 2yuf h LEU 109 Ca 0.06 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.17 2yuf h LEU 109 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 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 0.04 0.14 1.67 3.38 -1.24 -1.29 115.31 118.01 2yuf h LEU 110 Ca -0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 2yuf h LEU 110 Cb 0.40 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2yuf h LEU 110 CO 0.03 0.02 -1.64 0.71 0.09 0.00 0.00 178.44 177.65 2yuf h THR 111 N 0.04 1.04 -3.27 0.22 1.35 -1.60 -3.45 112.91 107.24 2yuf h THR 111 Ca 0.24 -2.66 -0.59 0.00 -0.55 0.00 0.00 66.41 62.85 2yuf h THR 111 Cb 0.90 2.74 -0.08 0.00 -1.73 0.00 0.00 68.15 69.99 2yuf h THR 111 CO -0.01 0.82 0.47 -0.13 -0.25 0.00 0.00 175.52 176.42 2yuf s ARG 112 N -2.60 4.24 -0.24 4.72 1.81 -0.49 -4.93 118.95 121.46 2yuf s ARG 112 Ca -0.12 1.02 -0.14 0.00 -1.72 0.00 0.00 55.73 54.77 2yuf s ARG 112 Cb 0.06 -3.61 -0.16 0.00 -0.45 0.00 0.00 34.95 30.79 2yuf s ARG 112 CO 0.85 -0.44 -0.12 0.54 -0.68 0.00 0.00 175.30 175.45 2yuf n ARG 113 N 5.67 0.60 0.01 3.54 1.74 -1.26 -3.53 116.66 123.43 2yuf n ARG 113 Ca 0.06 0.34 0.04 0.00 -0.77 0.00 0.00 57.85 57.51 2yuf n ARG 113 Cb 0.48 -1.59 0.42 0.00 -1.02 0.00 0.00 32.46 30.75 2yuf n ARG 113 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 2yuf h ASP 114 N -0.80 0.46 0.38 0.55 1.82 -1.95 0.14 116.42 117.02 2yuf h ASP 114 Ca -0.57 -0.02 -0.23 0.00 -0.39 0.00 0.00 57.03 55.83 2yuf h ASP 114 Cb 1.59 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.49 2yuf h ASP 114 CO -0.29 0.36 -0.96 -0.08 -1.61 0.00 0.00 179.24 176.66 2yuf h GLU 115 N 0.53 0.38 0.14 0.28 4.81 -1.95 -2.50 114.58 116.26 2yuf h GLU 115 Ca 0.14 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 2yuf h GLU 115 Cb -0.02 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2yuf h GLU 115 CO -0.03 1.10 -0.06 1.25 -0.73 0.00 0.00 179.01 180.54 2yuf h LEU 116 N 0.21 -0.15 -1.97 1.64 5.85 -1.43 -1.25 115.31 118.21 2yuf h LEU 116 Ca -0.08 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2yuf h LEU 116 Cb 1.60 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.67 2yuf h LEU 116 CO 0.16 0.40 0.03 0.15 -0.34 0.00 0.00 178.44 178.84 2yuf h PHE 117 N -0.80 0.04 0.03 1.25 3.57 -0.87 -0.36 116.94 119.80 2yuf h PHE 117 Ca -0.02 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2yuf h PHE 117 Cb 0.54 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.27 2yuf h PHE 117 CO 0.09 0.03 -0.02 0.00 -2.23 0.00 0.00 178.31 176.18 2yuf h ALA 118 N 1.98 -0.05 -0.23 2.41 0.00 -1.46 -2.91 119.26 119.00 2yuf h ALA 118 Ca 0.01 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.59 2yuf h ALA 118 Cb 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2yuf h ALA 118 CO -0.00 -0.14 0.13 -0.07 0.00 0.00 0.00 179.25 179.17 2yuf h LEU 119 N -0.83 0.20 -2.01 0.00 3.38 -0.96 -1.33 115.31 113.77 2yuf h LEU 119 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2yuf h LEU 119 Cb 0.70 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2yuf h LEU 119 CO 0.01 0.15 0.07 0.00 0.09 0.00 0.00 178.44 178.76 2yuf h ALA 120 N 1.11 2.08 0.01 1.53 0.00 -1.19 -1.01 119.26 121.78 2yuf h ALA 120 Ca 0.09 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 2yuf h ALA 120 Cb 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2yuf h ALA 120 CO -0.05 -0.12 -0.90 -0.09 0.00 0.00 0.00 179.25 178.09 2yuf h ARG 121 N 0.00 0.04 0.54 0.00 2.43 -1.14 -2.90 114.38 113.36 2yuf h ARG 121 Ca 0.05 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2yuf h ARG 121 Cb 0.18 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2yuf h ARG 121 CO -0.00 0.91 -0.26 1.96 -1.51 0.00 0.00 179.97 181.07 2yuf h GLN 122 N 0.02 -0.70 -0.01 0.20 4.20 -0.10 -2.89 115.11 115.82 2yuf h GLN 122 Ca -0.02 0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 2yuf h GLN 122 Cb 1.58 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 29.51 2yuf h GLN 122 CO 0.12 -0.42 -0.18 0.82 -0.67 0.00 0.00 178.83 178.50 2yuf h ILE 123 N -0.85 1.14 -0.03 2.54 2.04 -1.62 -2.11 117.51 118.61 2yuf h ILE 123 Ca -0.07 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.15 2yuf h ILE 123 Cb 0.61 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2yuf h ILE 123 CO 0.12 0.18 0.02 -1.28 0.00 0.00 0.00 178.15 177.20 2yuf h SER 124 N 0.01 0.02 0.78 1.72 0.87 -1.31 -1.24 113.55 114.40 2yuf h SER 124 Ca 0.00 -0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.31 2yuf h SER 124 Cb 0.33 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 2yuf h SER 124 CO 0.02 0.02 -1.24 0.03 -0.53 0.00 0.00 176.83 175.13 2yuf h ARG 125 N 0.03 0.08 -0.04 2.24 2.47 -1.20 -3.15 114.38 114.80 2yuf h ARG 125 Ca 0.01 -0.13 -0.12 0.00 -1.26 0.00 0.00 59.98 58.48 2yuf h ARG 125 Cb 0.02 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 2yuf h ARG 125 CO -0.00 0.96 -0.54 1.49 0.56 0.00 0.00 179.97 182.44 2yuf h GLU 126 N 0.02 0.12 0.00 0.04 4.81 -1.17 -2.81 114.58 115.59 2yuf h GLU 126 Ca -0.11 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 58.88 2yuf h GLU 126 Cb 1.88 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.24 2yuf h GLU 126 CO 0.14 0.63 -0.81 0.28 -0.73 0.00 0.00 179.01 178.52 2yuf h VAL 127 N 0.09 1.58 -0.09 0.32 2.07 -1.34 -3.03 116.25 115.84 2yuf h VAL 127 Ca -0.00 -2.76 -0.15 0.00 0.82 0.00 0.00 66.70 64.61 2yuf h VAL 127 Cb 0.98 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 2yuf h VAL 127 CO 0.08 0.79 -0.59 0.71 0.02 0.00 0.00 177.57 178.58 2yuf h THR 128 N 0.00 1.37 0.26 2.57 1.35 -1.48 -3.29 112.91 113.70 2yuf h THR 128 Ca -0.01 -1.92 -0.01 0.00 -0.55 0.00 0.00 66.41 63.91 2yuf h THR 128 Cb 1.43 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 2yuf h THR 128 CO 0.11 0.57 -0.12 0.22 -0.25 0.00 0.00 175.52 176.05 2yuf h TYR 129 N 0.23 -0.32 -3.79 4.73 3.20 -1.49 -3.42 116.97 116.11 2yuf h TYR 129 Ca -0.00 -0.01 -0.65 0.00 3.14 0.00 0.00 58.73 61.21 2yuf h TYR 129 Cb 1.10 0.11 -0.17 0.00 1.54 0.00 0.00 36.73 39.30 2yuf h TYR 129 CO 0.03 0.04 -0.45 0.15 -1.64 0.00 0.00 178.16 176.28 2yuf s LYS 130 N -4.29 3.76 -0.30 1.82 3.01 -1.15 -5.03 119.74 117.57 2yuf s LYS 130 Ca -0.14 -0.40 -0.03 0.00 -1.01 0.00 0.00 55.97 54.39 2yuf s LYS 130 Cb 0.02 -3.72 0.19 0.00 -1.01 0.00 0.00 37.83 33.30 2yuf s LYS 130 CO 0.52 -0.32 0.69 -0.47 0.51 0.00 0.00 175.35 176.29 2yuf s TYR 131 N 1.81 -1.39 -0.09 3.18 6.14 -1.26 -4.69 117.35 121.05 2yuf s TYR 131 Ca 0.08 1.46 0.02 0.00 0.64 0.00 0.00 57.07 59.27 2yuf s TYR 131 Cb -0.16 0.48 0.01 0.00 0.42 0.00 0.00 41.96 42.71 2yuf s TYR 131 CO 0.11 -0.76 -0.16 0.95 0.64 0.00 0.00 175.55 176.33 2yuf s THR 132 N 2.88 1.46 -0.20 4.34 -4.23 -1.26 -5.01 115.64 113.61 2yuf s THR 132 Ca 0.16 -0.65 0.01 0.00 -1.18 0.00 0.00 61.69 60.04 2yuf s THR 132 Cb -0.14 -1.32 -0.13 0.00 1.34 0.00 0.00 72.50 72.25 2yuf s THR 132 CO -0.19 0.43 -0.18 0.00 -0.54 0.00 0.00 174.62 174.14 2yuf n TYR 133 N 3.94 0.00 -4.20 3.99 4.11 -1.26 -5.06 117.16 118.68 2yuf n TYR 133 Ca -0.20 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.58 2yuf n TYR 133 Cb 0.52 -0.78 -0.10 0.00 -0.00 0.00 0.00 39.34 38.98 2yuf n TYR 133 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2yuf s ARG 134 N -2.40 1.19 0.16 -3.48 0.52 -1.26 -5.08 118.95 108.59 2yuf s ARG 134 Ca -0.27 -1.62 0.00 0.00 -0.52 0.00 0.00 55.73 53.32 2yuf s ARG 134 Cb 0.07 0.22 0.00 0.00 0.52 0.00 0.00 34.95 35.76 2yuf s ARG 134 CO 0.46 -0.37 0.00 -2.37 0.02 0.00 0.00 175.30 173.05 2yuf n THR 135 N -0.27 0.00 -3.60 0.02 5.66 -1.26 -5.06 114.28 109.77 2yuf n THR 135 Ca 0.01 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.81 2yuf n THR 135 Cb 0.66 -0.41 0.05 0.00 -1.55 0.00 0.00 70.33 69.08 2yuf n THR 135 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2yuf n THR 136 N -2.96 -5.32 0.00 1.09 -1.04 -1.26 -4.96 114.28 99.83 2yuf n THR 136 Ca 0.00 -0.60 0.00 0.00 -2.04 0.00 0.00 64.05 61.41 2yuf n THR 136 Cb 0.00 -4.33 0.00 0.00 -1.82 0.00 0.00 70.33 64.18 2yuf n THR 136 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2yuf n SER 137 N -3.06 0.00 -0.69 8.00 2.88 -1.26 -5.05 113.62 114.44 2yuf n SER 137 Ca -0.27 0.54 0.08 0.00 -1.33 0.00 0.00 58.87 57.90 2yuf n SER 137 Cb 0.67 -0.23 -0.04 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.39 -2.76 3.53 0.46 0.00 -1.26 -4.59 105.19 100.96 2yuf n GLY 138 Ca 0.00 -1.27 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 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 -3.20 0.50 -3.41 1.61 -0.02 -1.26 -4.90 135.00 124.31 2yuf n PRO 139 Ca -0.04 -0.25 -0.38 0.00 -2.02 0.00 0.00 63.50 60.81 2yuf n PRO 139 Cb 0.32 -2.68 -0.06 0.00 -0.02 0.00 0.00 33.50 31.07 2yuf n PRO 139 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2yuf s SER 140 N 8.97 6.74 -0.48 2.55 0.01 -1.26 -4.98 113.70 125.25 2yuf s SER 140 Ca 1.11 0.88 0.02 0.00 1.31 0.00 0.00 55.95 59.27 2yuf s SER 140 Cb -0.51 -2.27 0.56 0.00 0.21 0.00 0.00 66.02 64.01 2yuf s SER 140 CO 0.31 0.17 1.91 -1.54 0.41 0.00 0.00 173.24 174.50 2yuf n SER 141 N 2.74 4.93 -0.34 2.44 3.41 -1.26 -5.28 113.62 120.26 2yuf n SER 141 Ca -0.11 -3.56 0.04 0.00 -0.26 0.00 0.00 58.87 54.99 2yuf n SER 141 Cb 0.52 -0.87 0.04 0.00 -0.26 0.00 0.00 64.21 63.63 2yuf n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49