#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuf s SER 2 N 0.00 2.75 0.90 1.61 0.01 -1.26 -5.03 113.70 112.67 2yuf s SER 2 Ca 0.00 2.03 -0.09 0.00 1.31 0.00 0.00 55.95 59.19 2yuf s SER 2 Cb 0.00 -2.51 0.17 0.00 0.21 0.00 0.00 66.02 63.89 2yuf s SER 2 CO 0.00 -3.19 1.02 -1.20 0.41 0.00 0.00 173.24 170.28 2yuf n SER 3 N -4.28 0.43 0.00 2.44 7.64 -1.26 -4.48 113.62 114.11 2yuf n SER 3 Ca 0.10 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.40 2yuf n SER 3 Cb 0.53 -0.75 0.00 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 -1.97 2.76 3.45 0.23 0.00 -1.26 -4.97 105.19 103.43 2yuf n GLY 4 Ca 0.14 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 2yuf n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuf s SER 5 N 0.00 6.05 0.00 1.61 0.01 -1.26 -4.82 113.70 115.29 2yuf s SER 5 Ca 0.00 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.37 2yuf s SER 5 Cb 0.00 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.09 2yuf s SER 5 CO 0.00 -0.43 0.00 -1.54 0.41 0.00 0.00 173.24 171.68 2yuf n SER 6 N 5.13 0.24 -3.62 2.44 3.41 -1.26 -5.04 113.62 114.93 2yuf n SER 6 Ca -0.11 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.46 2yuf n SER 6 Cb 0.47 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 2yuf n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2yuf s GLY 7 N -4.49 -0.38 0.26 5.00 0.00 -1.26 -5.17 107.32 101.27 2yuf s GLY 7 Ca 0.00 2.73 -0.09 0.00 0.00 0.00 0.00 44.72 47.36 2yuf s GLY 7 CO 0.00 2.64 0.50 1.18 0.00 0.00 0.00 173.10 177.42 2yuf n GLU 8 N 4.31 0.72 -0.68 2.90 1.02 -1.26 -5.19 120.64 122.47 2yuf n GLU 8 Ca -0.17 -1.52 0.00 0.00 -0.02 0.00 0.00 57.16 55.45 2yuf n GLU 8 Cb 0.57 1.84 0.00 0.00 -0.02 0.00 0.00 31.44 33.83 2yuf n GLU 8 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yuf n ALA 9 N -1.39 0.00 -0.77 0.62 0.00 -1.26 -5.07 120.51 112.64 2yuf n ALA 9 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.03 2yuf n ALA 9 Cb 0.39 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 2.31 0.00 0.00 1.43 -1.26 -5.03 118.68 116.12 2yuf s LEU 10 Ca 0.00 1.92 -0.10 0.00 -1.03 0.00 0.00 54.13 54.92 2yuf s LEU 10 Cb 0.00 -4.22 0.19 0.00 0.03 0.00 0.00 46.19 42.19 2yuf s LEU 10 CO 0.00 -3.23 1.15 0.47 0.23 0.00 0.00 176.35 174.97 2yuf n ASP 11 N -4.30 0.58 0.09 2.29 9.92 -1.26 -4.89 116.55 118.98 2yuf n ASP 11 Ca 0.09 -1.72 -0.06 0.00 -0.53 0.00 0.00 54.79 52.57 2yuf n ASP 11 Cb 0.53 -0.84 0.09 0.00 -0.64 0.00 0.00 41.12 40.27 2yuf n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yuf h ALA 12 N -1.32 0.77 0.06 2.24 0.00 -2.00 -2.85 119.26 116.17 2yuf h ALA 12 Ca -0.38 -0.59 -0.27 0.00 0.00 0.00 0.00 54.91 53.67 2yuf h ALA 12 Cb 1.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2yuf h ALA 12 CO 0.31 0.78 -1.40 0.00 0.00 0.00 0.00 179.25 178.93 2yuf h ALA 13 N 1.15 0.40 0.77 0.00 0.00 -1.96 -3.14 119.26 116.47 2yuf h ALA 13 Ca -0.01 -1.12 -0.04 0.00 0.00 0.00 0.00 54.91 53.74 2yuf h ALA 13 Cb 1.20 0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.19 2yuf h ALA 13 CO 0.10 1.26 -0.37 0.00 0.00 0.00 0.00 179.25 180.24 2yuf h ALA 14 N 0.75 -1.04 0.00 0.00 0.00 -1.92 -2.90 119.26 114.16 2yuf h ALA 14 Ca -0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2yuf h ALA 14 Cb 1.94 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 20.13 2yuf h ALA 14 CO 0.14 -1.01 -0.03 0.00 0.00 0.00 0.00 179.25 178.35 2yuf h ALA 15 N -1.06 1.67 -0.92 0.00 0.00 -1.67 -2.12 119.26 115.16 2yuf h ALA 15 Ca -0.11 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.86 2yuf h ALA 15 Cb 0.81 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 2yuf h ALA 15 CO 0.17 0.04 0.59 -0.07 0.00 0.00 0.00 179.25 179.98 2yuf h LEU 16 N 0.00 0.88 -0.94 0.00 3.38 -1.46 0.77 115.31 117.94 2yuf h LEU 16 Ca -0.00 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2yuf h LEU 16 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2yuf h LEU 16 CO 0.00 0.54 -0.51 -1.28 0.09 0.00 0.00 178.44 177.28 2yuf h SER 17 N 0.98 0.00 0.00 -0.43 0.87 -1.33 -2.65 113.55 110.99 2yuf h SER 17 Ca 0.41 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.97 2yuf h SER 17 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2yuf h SER 17 CO -0.17 0.51 -0.00 0.58 -0.53 0.00 0.00 176.83 177.22 2yuf h VAL 18 N 0.00 1.64 -0.13 2.23 2.07 -1.13 -2.65 116.25 118.29 2yuf h VAL 18 Ca -0.01 -1.91 0.04 0.00 0.82 0.00 0.00 66.70 65.64 2yuf h VAL 18 Cb 0.94 2.94 -0.01 0.00 -1.52 0.00 0.00 31.29 33.64 2yuf h VAL 18 CO 0.07 0.49 0.10 0.00 0.02 0.00 0.00 177.57 178.25 2yuf h ALA 19 N 0.17 2.05 0.02 1.67 0.00 -0.96 0.51 119.26 122.73 2yuf h ALA 19 Ca -0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2yuf h ALA 19 Cb 0.81 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2yuf h ALA 19 CO 0.00 -0.16 -1.00 0.93 0.00 0.00 0.00 179.25 179.02 2yuf h GLU 20 N 0.00 0.06 0.02 0.00 5.08 -1.52 -3.10 114.58 115.12 2yuf h GLU 20 Ca 0.06 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 2yuf h GLU 20 Cb 0.25 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.54 2yuf h GLU 20 CO -0.00 1.01 -0.31 0.00 -1.00 0.00 0.00 179.01 178.71 2yuf h VAL 22 N -0.53 0.86 0.00 0.00 3.04 -1.08 0.58 116.25 119.11 2yuf h VAL 22 Ca -0.04 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.62 2yuf h VAL 22 Cb 1.11 0.95 -0.00 0.00 -2.01 0.00 0.00 31.29 31.33 2yuf h VAL 22 CO 0.06 0.00 -0.12 -0.33 -1.01 0.00 0.00 177.57 176.17 2yuf h GLU 23 N 0.00 0.00 0.00 4.17 5.08 -1.58 -2.03 114.58 120.22 2yuf h GLU 23 Ca 0.05 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 2yuf h GLU 23 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2yuf h GLU 23 CO -0.00 0.12 -0.74 0.00 -1.00 0.00 0.00 179.01 177.39 2yuf h ARG 24 N 0.00 0.00 0.00 2.33 2.47 -0.87 -3.36 114.38 114.95 2yuf h ARG 24 Ca -0.00 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 2yuf h ARG 24 Cb 0.94 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.26 2yuf h ARG 24 CO 0.02 0.99 -0.17 0.00 0.56 0.00 0.00 179.97 181.37 2yuf h MET 25 N -1.00 0.00 0.63 0.04 -0.00 -1.38 -3.12 114.93 110.10 2yuf h MET 25 Ca -0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.47 2yuf h MET 25 Cb 1.17 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.76 2yuf h MET 25 CO -0.12 0.17 -0.46 0.00 -0.00 0.00 0.00 176.91 176.49 2yuf h ALA 26 N 1.83 -1.20 -0.19 -3.00 0.00 -1.51 0.11 119.26 115.31 2yuf h ALA 26 Ca -0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 2yuf h ALA 26 Cb 0.61 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2yuf h ALA 26 CO 0.02 -1.19 -0.16 -1.00 0.00 0.00 0.00 179.25 176.92 2yuf h PRO 27 N -1.05 0.31 0.00 0.00 0.13 -1.71 -2.61 132.00 127.07 2yuf h PRO 27 Ca -0.08 -0.09 -0.11 0.00 -0.87 0.00 0.00 66.00 64.85 2yuf h PRO 27 Cb 0.86 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 2yuf h PRO 27 CO 0.04 0.48 -0.52 1.79 -0.23 0.00 0.00 178.00 179.55 2yuf h THR 28 N 0.29 1.33 -4.32 1.56 1.35 -1.46 -3.44 112.91 108.21 2yuf h THR 28 Ca 0.05 -1.81 -0.51 0.00 -0.55 0.00 0.00 66.41 63.59 2yuf h THR 28 Cb 0.47 1.99 0.07 0.00 -1.73 0.00 0.00 68.15 68.95 2yuf h THR 28 CO 0.03 0.51 0.39 -0.76 -0.25 0.00 0.00 175.52 175.44 2yuf s LEU 29 N -7.72 3.24 0.61 3.87 1.43 0.36 -5.03 118.68 115.44 2yuf s LEU 29 Ca -0.02 1.54 -0.17 0.00 -1.03 0.00 0.00 54.13 54.46 2yuf s LEU 29 Cb 0.13 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.83 2yuf s LEU 29 CO 0.74 -1.10 1.12 -2.16 0.23 0.00 0.00 176.35 175.18 2yuf s PRO 30 N -4.95 3.04 -0.10 1.29 0.04 -1.26 -4.96 135.00 128.10 2yuf s PRO 30 Ca 0.57 1.51 -0.06 0.00 0.04 0.00 0.00 61.00 63.06 2yuf s PRO 30 Cb -0.13 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2yuf s PRO 30 CO 0.51 -1.08 0.13 0.15 0.04 0.00 0.00 177.00 176.75 2yuf s LYS 31 N -3.71 3.37 0.57 4.56 1.02 -1.26 -5.08 119.74 119.21 2yuf s LYS 31 Ca 0.70 -0.20 0.06 0.00 0.02 0.00 0.00 55.97 56.55 2yuf s LYS 31 Cb -0.22 -3.12 0.06 0.00 -0.52 0.00 0.00 37.83 34.02 2yuf s LYS 31 CO 0.35 0.76 0.49 0.45 -0.92 0.00 0.00 175.35 176.47 2yuf s SER 32 N -1.14 4.67 -0.04 2.83 0.15 -1.26 -5.14 113.70 113.77 2yuf s SER 32 Ca 0.16 -1.24 0.07 0.00 0.70 0.00 0.00 55.95 55.64 2yuf s SER 32 Cb -0.12 0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 64.73 2yuf s SER 32 CO 0.06 -1.23 -0.25 -0.62 1.20 0.00 0.00 173.24 172.41 2yuf s ASP 33 N -4.38 2.97 0.38 5.45 -1.08 -1.26 -5.02 116.67 113.72 2yuf s ASP 33 Ca 0.37 -0.48 0.09 0.00 -0.52 0.00 0.00 52.55 52.00 2yuf s ASP 33 Cb -0.03 -0.66 0.76 0.00 -1.46 0.00 0.00 42.92 41.53 2yuf s ASP 33 CO 0.24 0.26 1.91 -0.07 0.52 0.00 0.00 175.17 178.03 2yuf h LEU 34 N 5.90 0.28 -1.30 -1.34 3.38 -2.00 -2.24 115.31 117.98 2yuf h LEU 34 Ca -0.35 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 2yuf h LEU 34 Cb 1.16 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2yuf h LEU 34 CO 0.47 0.41 -0.13 -1.13 0.09 0.00 0.00 178.44 178.16 2yuf h ASN 35 N 0.29 0.30 -0.46 -0.43 -0.73 -1.97 0.54 115.58 113.11 2yuf h ASN 35 Ca 0.06 -0.07 -0.12 0.00 1.87 0.00 0.00 56.30 58.05 2yuf h ASN 35 Cb 0.35 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.85 2yuf h ASN 35 CO 0.02 0.46 -0.16 -0.33 -0.37 0.00 0.00 177.43 177.04 2yuf h GLU 36 N 0.30 0.93 0.09 6.67 4.39 -1.83 -1.95 114.58 123.18 2yuf h GLU 36 Ca 0.06 -0.38 -0.28 0.00 0.34 0.00 0.00 59.36 59.10 2yuf h GLU 36 Cb 0.41 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2yuf h GLU 36 CO 0.02 1.04 -1.35 -0.39 -1.16 0.00 0.00 179.01 177.17 2yuf h VAL 37 N 0.77 1.35 -0.31 3.13 -1.51 -1.39 -3.26 116.25 115.03 2yuf h VAL 37 Ca 0.11 -2.99 -0.01 0.00 -1.23 0.00 0.00 66.70 62.58 2yuf h VAL 37 Cb 0.73 2.82 -0.01 0.00 -2.13 0.00 0.00 31.29 32.69 2yuf h VAL 37 CO 0.06 0.85 0.15 0.11 -1.23 0.00 0.00 177.57 177.50 2yuf h LYS 38 N 0.05 0.46 -0.07 5.19 1.57 0.09 -2.37 116.57 121.48 2yuf h LYS 38 Ca -0.17 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 2yuf h LYS 38 Cb 1.96 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.18 2yuf h LYS 38 CO 0.17 0.43 -0.03 0.93 -0.57 0.00 0.00 179.45 180.38 2yuf h GLU 39 N 0.37 0.10 -0.07 3.15 5.08 -1.48 -1.58 114.58 120.16 2yuf h GLU 39 Ca 0.11 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 2yuf h GLU 39 Cb 0.13 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2yuf h GLU 39 CO -0.01 0.14 -0.46 -0.07 -1.00 0.00 0.00 179.01 177.61 2yuf h LEU 40 N 0.10 0.16 -0.41 1.33 3.38 -1.48 -3.03 115.31 115.38 2yuf h LEU 40 Ca 0.03 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 2yuf h LEU 40 Cb 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2yuf h LEU 40 CO 0.00 0.60 -0.39 -0.07 0.09 0.00 0.00 178.44 178.67 2yuf h LEU 41 N 0.13 0.98 -1.92 1.67 3.38 -0.91 0.85 115.31 119.48 2yuf h LEU 41 Ca 0.01 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 2yuf h LEU 41 Cb 0.86 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2yuf h LEU 41 CO 0.07 1.25 -0.06 0.11 0.09 0.00 0.00 178.44 179.90 2yuf h LYS 42 N 0.75 0.00 0.04 1.13 1.57 -1.38 -2.56 116.57 116.11 2yuf h LYS 42 Ca 0.06 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.52 2yuf h LYS 42 Cb 0.99 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.26 2yuf h LYS 42 CO 0.10 0.06 -1.85 -2.37 -0.57 0.00 0.00 179.45 174.81 2yuf n THR 43 N -4.42 1.66 -2.15 -0.16 5.66 -1.11 -4.95 114.28 108.81 2yuf n THR 43 Ca -0.03 -0.75 -0.08 0.00 -3.05 0.00 0.00 64.05 60.14 2yuf n THR 43 Cb 0.14 -1.26 0.05 0.00 -1.55 0.00 0.00 70.33 67.71 2yuf n THR 43 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2yuf n ASN 44 N -3.18 0.37 0.13 1.09 2.85 0.28 -5.08 115.26 111.72 2yuf n ASN 44 Ca -0.23 -1.34 0.00 0.00 -0.11 0.00 0.00 54.58 52.90 2yuf n ASN 44 Cb 1.05 -0.25 0.00 0.00 1.24 0.00 0.00 39.78 41.83 2yuf n ASN 44 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2yuf n LYS 45 N -1.70 0.00 -0.29 1.20 4.81 -1.26 -4.78 118.16 116.14 2yuf n LYS 45 Ca 0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.47 2yuf n LYS 45 Cb 0.20 -0.07 0.09 0.00 0.02 0.00 0.00 35.03 35.27 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 0.99 0.00 1.64 1.57 -1.96 0.83 116.57 119.64 2yuf h LYS 46 Ca 0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2yuf h LYS 46 Cb 0.00 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 2yuf h LYS 46 CO 0.00 0.66 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.45 2yuf h LEU 47 N 1.02 0.00 0.00 2.94 3.38 -1.94 0.15 115.31 120.86 2yuf h LEU 47 Ca 0.31 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.02 2yuf h LEU 47 Cb -0.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 2yuf h LEU 47 CO -0.09 0.02 -1.84 0.00 0.09 0.00 0.00 178.44 176.61 2yuf n ALA 48 N -2.53 1.74 0.13 1.53 0.00 -0.54 -3.36 120.51 117.48 2yuf n ALA 48 Ca -0.03 -0.85 0.01 0.00 0.00 0.00 0.00 53.44 52.57 2yuf n ALA 48 Cb 0.10 -0.68 0.10 0.00 0.00 0.00 0.00 19.45 18.98 2yuf n ALA 48 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2yuf h LYS 49 N 0.00 0.00 0.00 0.00 1.63 0.12 -1.05 116.57 117.27 2yuf h LYS 49 Ca -0.30 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 2yuf h LYS 49 Cb 1.87 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.50 2yuf h LYS 49 CO 0.05 0.60 -0.06 1.98 -3.45 0.00 0.00 179.45 178.57 2yuf h MET 50 N 0.00 0.00 -1.01 1.90 4.05 -0.88 -3.43 114.93 115.55 2yuf h MET 50 Ca -0.01 0.00 -0.49 0.00 -0.28 0.00 0.00 59.70 58.93 2yuf h MET 50 Cb 1.30 0.00 -0.42 0.00 -0.80 0.00 0.00 31.60 31.68 2yuf h MET 50 CO 0.08 0.00 -0.89 0.44 0.23 0.00 0.00 176.91 176.77 2yuf n ILE 51 N -2.89 2.05 -0.06 1.77 -5.35 -1.21 -4.78 119.36 108.90 2yuf n ILE 51 Ca -0.01 -4.10 -0.09 0.00 -0.27 0.00 0.00 62.75 58.28 2yuf n ILE 51 Cb 0.03 -0.54 -0.15 0.00 -1.74 0.00 0.00 39.64 37.25 2yuf n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2yuf n GLY 52 N -0.51 -1.00 0.19 3.28 0.00 -0.40 -4.18 105.19 102.57 2yuf n GLY 52 Ca 0.31 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 46.18 2yuf n GLY 52 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2yuf h HIS 53 N 0.00 0.06 -0.13 1.61 2.07 -1.86 -2.65 115.15 114.25 2yuf h HIS 53 Ca -0.40 -0.01 -0.09 0.00 -2.85 0.00 0.00 60.37 57.01 2yuf h HIS 53 Cb 2.12 -0.01 -0.01 0.00 2.57 0.00 0.00 27.41 32.07 2yuf h HIS 53 CO 0.00 0.41 -0.33 0.82 -3.07 0.00 0.00 177.93 175.76 2yuf h ILE 54 N 0.04 1.28 -0.14 6.12 2.04 -1.93 0.90 117.51 125.81 2yuf h ILE 54 Ca 0.00 -1.33 -0.16 0.00 1.00 0.00 0.00 64.86 64.37 2yuf h ILE 54 Cb 0.67 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 2yuf h ILE 54 CO 0.05 0.40 -0.58 -0.26 0.00 0.00 0.00 178.15 177.76 2yuf h PHE 55 N 0.23 0.59 0.02 1.37 0.04 -1.64 -3.16 116.94 114.38 2yuf h PHE 55 Ca 0.03 -0.22 -0.23 0.00 2.80 0.00 0.00 57.97 60.35 2yuf h PHE 55 Cb 0.70 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.72 2yuf h PHE 55 CO 0.01 0.93 -1.17 0.93 -0.60 0.00 0.00 178.31 178.41 2yuf h GLU 56 N 0.35 0.04 0.00 1.51 5.08 -1.35 -3.47 114.58 116.74 2yuf h GLU 56 Ca 0.00 -0.07 -0.34 0.00 -1.00 0.00 0.00 59.36 57.96 2yuf h GLU 56 Cb 1.11 0.02 0.20 0.00 0.50 0.00 0.00 28.75 30.59 2yuf h GLU 56 CO 0.10 0.94 -0.16 -0.12 -1.00 0.00 0.00 179.01 178.77 2yuf n MET 57 N -3.32 -4.56 -2.41 2.33 1.56 0.29 -4.99 117.12 106.02 2yuf n MET 57 Ca -0.04 -1.35 -0.30 0.00 -0.27 0.00 0.00 57.70 55.74 2yuf n MET 57 Cb 0.97 -1.79 -0.01 0.00 2.15 0.00 0.00 33.22 34.54 2yuf n MET 57 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 2yuf s ASN 58 N -2.97 6.33 -0.03 6.12 -0.87 -1.26 -5.00 114.94 117.26 2yuf s ASN 58 Ca 0.62 1.18 0.09 0.00 -1.57 0.00 0.00 52.86 53.19 2yuf s ASN 58 Cb -0.11 -2.36 -0.23 0.00 -0.02 0.00 0.00 41.25 38.53 2yuf s ASN 58 CO 0.52 -0.64 0.73 -0.78 -2.57 0.00 0.00 177.10 174.36 2yuf h ASP 59 N 0.30 0.05 -1.88 -1.22 3.58 -1.94 -3.38 116.42 111.94 2yuf h ASP 59 Ca -0.46 -0.11 -0.76 0.00 0.42 0.00 0.00 57.03 56.13 2yuf h ASP 59 Cb 1.19 -0.02 -0.24 0.00 1.72 0.00 0.00 39.33 41.99 2yuf h ASP 59 CO 0.62 1.09 1.21 -0.90 -2.88 0.00 0.00 179.24 178.39 2yuf n ASP 60 N -3.14 7.44 -4.17 2.28 5.68 -1.26 -4.95 116.55 118.44 2yuf n ASP 60 Ca -0.16 -3.59 -0.21 0.00 -0.50 0.00 0.00 54.79 50.33 2yuf n ASP 60 Cb 1.04 -1.18 -0.13 0.00 -1.14 0.00 0.00 41.12 39.70 2yuf n ASP 60 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2yuf s ASP 61 N -0.81 1.82 0.24 -1.12 1.01 -1.26 -5.05 116.67 111.51 2yuf s ASP 61 Ca 0.47 -0.49 0.03 0.00 0.71 0.00 0.00 52.55 53.28 2yuf s ASP 61 Cb 0.28 -0.12 0.28 0.00 1.01 0.00 0.00 42.92 44.37 2yuf s ASP 61 CO -0.21 0.05 1.59 1.55 0.21 0.00 0.00 175.17 178.35 2yuf h PRO 62 N 4.84 0.31 0.00 8.23 0.13 -1.95 -3.00 132.00 140.56 2yuf h PRO 62 Ca -0.39 -0.19 -0.05 0.00 -0.87 0.00 0.00 66.00 64.50 2yuf h PRO 62 Cb 1.18 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2yuf h PRO 62 CO 0.43 0.76 -0.22 0.45 -0.23 0.00 0.00 178.00 179.20 2yuf h HIS 63 N 0.24 0.00 0.33 1.56 3.86 -1.97 -3.10 115.15 116.07 2yuf h HIS 63 Ca 0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2yuf h HIS 63 Cb 1.02 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.47 2yuf h HIS 63 CO 0.02 0.22 -0.34 -0.22 0.86 0.00 0.00 177.93 178.48 2yuf h LYS 64 N 0.00 -0.67 -0.14 2.45 3.64 -1.85 0.59 116.57 120.59 2yuf h LYS 64 Ca -0.00 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2yuf h LYS 64 Cb 0.49 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 2yuf h LYS 64 CO 0.03 -0.45 0.04 0.93 -2.27 0.00 0.00 179.45 177.73 2yuf h GLU 65 N -0.70 0.19 -0.10 1.90 5.08 -1.68 -1.52 114.58 117.74 2yuf h GLU 65 Ca -0.02 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.12 2yuf h GLU 65 Cb 0.64 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.86 2yuf h GLU 65 CO -0.07 0.18 -0.73 0.93 -1.00 0.00 0.00 179.01 178.32 2yuf h GLU 66 N 0.19 0.68 -0.08 2.33 4.39 -1.31 -2.02 114.58 118.76 2yuf h GLU 66 Ca 0.05 -0.59 -0.01 0.00 0.34 0.00 0.00 59.36 59.15 2yuf h GLU 66 Cb 0.07 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2yuf h GLU 66 CO -0.00 1.20 0.03 0.93 -1.16 0.00 0.00 179.01 180.01 2yuf h GLU 67 N 0.35 0.12 -0.74 2.33 4.39 0.68 -1.84 114.58 119.87 2yuf h GLU 67 Ca -0.06 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 2yuf h GLU 67 Cb 1.38 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.98 2yuf h GLU 67 CO 0.15 0.25 0.25 0.82 -1.16 0.00 0.00 179.01 179.32 2yuf h ILE 68 N -0.05 1.26 -0.03 3.13 2.04 -1.38 -2.36 117.51 120.13 2yuf h ILE 68 Ca 0.03 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 2yuf h ILE 68 Cb 0.18 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2yuf h ILE 68 CO -0.00 0.35 -0.12 0.03 0.00 0.00 0.00 178.15 178.41 2yuf h ARG 69 N 1.09 0.04 0.30 2.37 3.08 -1.23 0.13 114.38 120.16 2yuf h ARG 69 Ca 0.24 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2yuf h ARG 69 Cb 0.28 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2yuf h ARG 69 CO -0.01 0.16 -0.15 -0.22 -1.07 0.00 0.00 179.97 178.68 2yuf h LYS 70 N 0.04 -0.39 0.00 0.04 3.64 -0.80 -3.16 116.57 115.94 2yuf h LYS 70 Ca 0.01 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 2yuf h LYS 70 Cb 0.23 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2yuf h LYS 70 CO 0.02 -0.07 -0.34 1.88 -2.27 0.00 0.00 179.45 178.67 2yuf h TYR 71 N -0.77 0.00 -0.25 1.91 -1.99 -1.36 -3.40 116.97 111.11 2yuf h TYR 71 Ca -0.04 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.69 2yuf h TYR 71 Cb 0.51 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.23 2yuf h TYR 71 CO 0.03 0.34 0.01 0.43 -0.00 0.00 0.00 178.16 178.97 2yuf n SER 72 N -3.69 1.63 -3.64 3.88 7.64 0.44 -4.79 113.62 115.09 2yuf n SER 72 Ca -0.01 -1.84 -0.02 0.00 1.01 0.00 0.00 58.87 58.01 2yuf n SER 72 Cb 0.44 -1.69 -0.05 0.00 -1.01 0.00 0.00 64.21 61.91 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 15.78 -2.02 -0.08 -0.43 0.00 -1.26 -4.82 121.76 128.93 2yuf s ALA 73 Ca 0.89 2.36 0.11 0.00 0.00 0.00 0.00 51.96 55.32 2yuf s ALA 73 Cb -0.10 -1.70 0.17 0.00 0.00 0.00 0.00 23.12 21.49 2yuf s ALA 73 CO 0.12 -0.79 1.06 -0.89 0.00 0.00 0.00 175.76 175.26 2yuf n ILE 74 N 5.15 1.19 -3.44 0.00 5.41 -1.26 -4.94 119.36 121.47 2yuf n ILE 74 Ca -0.14 -1.41 -0.24 0.00 1.00 0.00 0.00 62.75 61.96 2yuf n ILE 74 Cb 0.52 0.09 -0.11 0.00 -0.71 0.00 0.00 39.64 39.43 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 -1.77 0.18 0.00 1.39 2.02 -1.26 -5.04 117.35 112.87 2yuf s TYR 75 Ca 0.19 -1.03 0.00 0.00 -0.37 0.00 0.00 57.07 55.86 2yuf s TYR 75 Cb 0.16 -0.70 0.00 0.00 -0.40 0.00 0.00 41.96 41.02 2yuf s TYR 75 CO 0.02 -0.88 0.00 0.41 -1.57 0.00 0.00 175.55 173.53 2yuf n GLY 76 N 4.54 0.20 2.59 0.71 0.00 -1.26 -4.86 105.19 107.12 2yuf n GLY 76 Ca 0.06 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 2yuf n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuf n ARG 77 N -0.73 0.24 -0.04 1.61 1.74 -1.26 -5.01 116.66 113.21 2yuf n ARG 77 Ca 0.00 -1.86 -0.05 0.00 -0.77 0.00 0.00 57.85 55.17 2yuf n ARG 77 Cb 0.00 -0.39 -0.04 0.00 -1.02 0.00 0.00 32.46 31.00 2yuf n ARG 77 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2yuf n PHE 78 N -2.27 0.00 -4.49 -1.55 1.16 -1.26 -4.96 117.46 104.08 2yuf n PHE 78 Ca 0.11 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.42 2yuf n PHE 78 Cb 0.40 -0.33 -0.10 0.00 -1.61 0.00 0.00 39.48 37.84 2yuf n PHE 78 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2yuf s ASP 79 N -4.39 4.04 0.10 5.98 2.15 -1.26 -4.94 116.67 118.35 2yuf s ASP 79 Ca -0.08 -1.31 0.01 0.00 0.43 0.00 0.00 52.55 51.60 2yuf s ASP 79 Cb 0.03 -0.35 -0.00 0.00 -0.30 0.00 0.00 42.92 42.29 2yuf s ASP 79 CO 0.23 -0.51 0.10 -1.20 -0.17 0.00 0.00 175.17 173.62 2yuf n SER 80 N -1.07 -0.27 0.02 -0.34 7.64 -1.26 -4.95 113.62 113.39 2yuf n SER 80 Ca -0.05 -1.60 0.00 0.00 1.01 0.00 0.00 58.87 58.23 2yuf n SER 80 Cb 0.66 0.58 0.00 0.00 -1.01 0.00 0.00 64.21 64.44 2yuf n SER 80 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2yuf n LYS 81 N -0.18 0.00 0.00 1.43 4.81 -1.26 -5.08 118.16 117.88 2yuf n LYS 81 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2yuf n LYS 81 Cb 0.17 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.22 2yuf n LYS 81 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2yuf n ARG 82 N -2.58 0.00 -2.71 1.64 0.63 -1.26 -5.06 116.66 107.32 2yuf n ARG 82 Ca 0.00 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.67 2yuf n ARG 82 Cb 0.00 -0.15 0.01 0.00 0.45 0.00 0.00 32.46 32.77 2yuf n ARG 82 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2yuf s LYS 83 N -0.43 3.23 0.22 -0.14 -0.14 -1.26 -4.89 119.74 116.32 2yuf s LYS 83 Ca 0.00 -0.08 0.00 0.00 -1.36 0.00 0.00 55.97 54.53 2yuf s LYS 83 Cb 0.00 -2.41 0.00 0.00 -1.68 0.00 0.00 37.83 33.74 2yuf s LYS 83 CO 0.00 -0.35 0.00 -3.47 -0.76 0.00 0.00 175.35 170.77 2yuf n ASP 84 N -2.28 -8.26 -3.25 2.83 2.03 -1.26 -4.94 116.55 101.42 2yuf n ASP 84 Ca 0.01 1.21 -0.25 0.00 0.52 0.00 0.00 54.79 56.29 2yuf n ASP 84 Cb 0.57 -4.55 -0.07 0.00 -0.72 0.00 0.00 41.12 36.34 2yuf n ASP 84 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2yuf n GLY 85 N 1.41 3.71 1.44 0.27 0.00 -1.26 -4.52 105.19 106.24 2yuf n GLY 85 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.98 2yuf n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yuf n LYS 86 N 1.03 -4.07 -1.01 1.61 4.81 -1.26 -5.01 118.16 114.26 2yuf n LYS 86 Ca 0.25 3.06 -0.07 0.00 -0.87 0.00 0.00 58.31 60.68 2yuf n LYS 86 Cb 0.50 -3.50 -0.06 0.00 0.02 0.00 0.00 35.03 31.99 2yuf n LYS 86 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2yuf n HIS 87 N -1.16 -0.04 -3.05 5.64 8.25 -1.26 -5.11 115.22 118.49 2yuf n HIS 87 Ca 0.00 -0.50 -0.41 0.00 -0.26 0.00 0.00 57.72 56.55 2yuf n HIS 87 Cb 0.07 0.51 -0.05 0.00 1.12 0.00 0.00 29.99 31.63 2yuf n HIS 87 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2yuf s LEU 88 N -0.08 4.11 0.00 2.41 1.43 -1.26 -5.06 118.68 120.23 2yuf s LEU 88 Ca 0.00 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 2yuf s LEU 88 Cb 0.01 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.26 2yuf s LEU 88 CO -0.00 -0.35 0.00 1.07 0.23 0.00 0.00 176.35 177.29 2yuf n THR 89 N 4.93 0.00 0.40 5.49 5.66 -1.26 -4.73 114.28 124.77 2yuf n THR 89 Ca 0.01 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 2yuf n THR 89 Cb 0.49 -1.92 -0.09 0.00 -1.55 0.00 0.00 70.33 67.26 2yuf n THR 89 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 2yuf h LEU 90 N 0.00 -0.87 -2.06 1.09 5.85 -1.99 -0.53 115.31 116.79 2yuf h LEU 90 Ca 0.00 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.75 2yuf h LEU 90 Cb 0.00 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 2yuf h LEU 90 CO 0.00 -0.55 0.05 0.45 -0.34 0.00 0.00 178.44 178.06 2yuf h HIS 91 N -1.15 0.00 -0.11 1.25 3.86 -1.94 -2.26 115.15 114.79 2yuf h HIS 91 Ca -0.10 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.04 2yuf h HIS 91 Cb 0.80 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.27 2yuf h HIS 91 CO -0.00 0.00 -0.19 0.93 0.86 0.00 0.00 177.93 179.53 2yuf h GLU 92 N 0.00 0.33 -0.08 2.45 5.08 -1.86 -2.78 114.58 117.71 2yuf h GLU 92 Ca 0.03 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2yuf h GLU 92 Cb 0.14 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2yuf h GLU 92 CO -0.00 0.78 0.06 -0.07 -1.00 0.00 0.00 179.01 178.78 2yuf h LEU 93 N -0.09 0.00 -0.13 1.33 3.38 -0.51 -1.35 115.31 117.93 2yuf h LEU 93 Ca 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2yuf h LEU 93 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2yuf h LEU 93 CO 0.04 0.00 -0.41 0.74 0.09 0.00 0.00 178.44 178.90 2yuf h THR 94 N 0.00 1.36 -0.43 0.22 2.02 -1.39 -3.18 112.91 111.51 2yuf h THR 94 Ca 0.04 -1.71 -0.08 0.00 0.77 0.00 0.00 66.41 65.43 2yuf h THR 94 Cb 0.16 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 2yuf h THR 94 CO -0.00 0.51 -0.07 0.58 0.37 0.00 0.00 175.52 176.92 2yuf h VAL 95 N 0.12 1.25 -0.36 3.16 2.07 -1.11 0.83 116.25 122.22 2yuf h VAL 95 Ca -0.01 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.47 2yuf h VAL 95 Cb 1.04 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2yuf h VAL 95 CO 0.09 0.37 0.24 -1.13 0.02 0.00 0.00 177.57 177.16 2yuf h ASN 96 N 0.68 0.27 0.00 0.57 -0.73 -1.29 -2.31 115.58 112.77 2yuf h ASN 96 Ca 0.12 -0.00 -0.32 0.00 1.87 0.00 0.00 56.30 57.97 2yuf h ASN 96 Cb 0.52 -0.06 -0.06 0.00 0.27 0.00 0.00 38.32 38.99 2yuf h ASN 96 CO 0.03 0.18 -2.34 1.21 -0.37 0.00 0.00 177.43 176.14 2yuf n GLU 97 N -4.48 0.69 -0.21 6.67 2.13 -1.00 -4.24 120.64 120.20 2yuf n GLU 97 Ca 0.04 -0.03 0.05 0.00 0.66 0.00 0.00 57.16 57.87 2yuf n GLU 97 Cb 0.21 -1.52 0.31 0.00 0.27 0.00 0.00 31.44 30.71 2yuf n GLU 97 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2yuf h ALA 98 N 1.13 1.62 -0.46 4.31 0.00 0.11 -0.22 119.26 125.74 2yuf h ALA 98 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2yuf h ALA 98 Cb 2.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2yuf h ALA 98 CO 0.03 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.55 2yuf n ALA 99 N -2.43 3.25 -0.13 0.00 0.00 -0.90 -4.12 120.51 116.18 2yuf n ALA 99 Ca 0.11 -1.30 -0.17 0.00 0.00 0.00 0.00 53.44 52.08 2yuf n ALA 99 Cb 0.18 -1.06 -0.12 0.00 0.00 0.00 0.00 19.45 18.45 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 0.63 1.45 0.08 0.00 0.00 -0.10 -4.13 120.51 118.44 2yuf n ALA 100 Ca 0.20 -1.13 -0.11 0.00 0.00 0.00 0.00 53.44 52.40 2yuf n ALA 100 Cb 0.83 -0.11 -0.03 0.00 0.00 0.00 0.00 19.45 20.15 2yuf n ALA 100 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2yuf h GLN 101 N 0.00 0.30 -0.05 0.00 4.20 -1.70 -3.15 115.11 114.71 2yuf h GLN 101 Ca -0.57 -0.32 -0.06 0.00 0.06 0.00 0.00 58.65 57.75 2yuf h GLN 101 Cb 1.94 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.80 2yuf h GLN 101 CO -0.07 1.03 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.77 2yuf h LEU 102 N 0.17 0.08 -0.59 1.46 3.38 -1.79 -2.52 115.31 115.50 2yuf h LEU 102 Ca -0.06 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 2yuf h LEU 102 Cb 1.54 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.26 2yuf h LEU 102 CO 0.15 0.35 -0.69 0.00 0.09 0.00 0.00 178.44 178.34 2yuf h VAL 104 N 0.07 0.00 -0.07 0.00 2.07 -1.41 -3.11 116.25 113.80 2yuf h VAL 104 Ca -0.01 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.46 2yuf h VAL 104 Cb 1.22 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2yuf h VAL 104 CO 0.10 0.00 0.01 0.11 0.02 0.00 0.00 177.57 177.81 2yuf h LYS 105 N -1.07 0.04 -4.60 1.57 1.79 -1.64 -3.38 116.57 109.27 2yuf h LYS 105 Ca -0.10 -0.00 -0.70 0.00 -2.18 0.00 0.00 60.65 57.67 2yuf h LYS 105 Cb 0.78 -0.01 -0.31 0.00 -1.58 0.00 0.00 32.23 31.11 2yuf h LYS 105 CO 0.17 0.02 -0.59 -0.51 -1.08 0.00 0.00 179.45 177.47 2yuf s ASP 106 N -5.22 5.26 0.31 0.86 1.01 -0.93 -4.95 116.67 113.02 2yuf s ASP 106 Ca -0.13 -1.47 0.11 0.00 0.71 0.00 0.00 52.55 51.77 2yuf s ASP 106 Cb 0.07 -1.84 0.51 0.00 1.01 0.00 0.00 42.92 42.67 2yuf s ASP 106 CO 0.67 -0.41 1.70 0.78 0.21 0.00 0.00 175.17 178.12 2yuf h ASN 107 N 8.16 0.01 -0.09 0.27 -0.26 -1.73 -2.88 115.58 119.06 2yuf h ASN 107 Ca -0.20 -0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.55 2yuf h ASN 107 Cb 1.07 -0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.32 2yuf h ASN 107 CO 0.64 0.52 0.06 0.00 -1.06 0.00 0.00 177.43 177.59 2yuf h ALA 108 N 1.48 2.00 -0.04 -0.83 0.00 -1.92 -0.93 119.26 119.02 2yuf h ALA 108 Ca -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2yuf h ALA 108 Cb 0.91 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2yuf h ALA 108 CO 0.07 -0.01 0.04 -0.07 0.00 0.00 0.00 179.25 179.28 2yuf h LEU 109 N 0.07 0.00 -1.58 0.00 3.38 -1.83 -1.51 115.31 113.85 2yuf h LEU 109 Ca 0.04 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2yuf h LEU 109 Cb 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2yuf h LEU 109 CO -0.01 0.00 0.37 -0.07 0.09 0.00 0.00 178.44 178.82 2yuf h LEU 110 N 0.00 0.45 0.03 1.67 3.38 -1.33 -1.52 115.31 118.00 2yuf h LEU 110 Ca 0.02 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.75 2yuf h LEU 110 Cb 0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2yuf h LEU 110 CO -0.00 0.30 -1.18 0.71 0.09 0.00 0.00 178.44 178.36 2yuf h THR 111 N 0.52 1.52 -2.59 0.22 1.35 -1.44 -3.41 112.91 109.09 2yuf h THR 111 Ca 0.24 -3.22 -0.68 0.00 -0.55 0.00 0.00 66.41 62.20 2yuf h THR 111 Cb 0.27 2.81 -0.18 0.00 -1.73 0.00 0.00 68.15 69.33 2yuf h THR 111 CO -0.07 0.89 0.66 -0.13 -0.25 0.00 0.00 175.52 176.62 2yuf s ARG 112 N -2.68 3.44 0.20 4.72 0.52 -0.57 -4.84 118.95 119.74 2yuf s ARG 112 Ca -0.02 -1.56 0.10 0.00 -0.52 0.00 0.00 55.73 53.74 2yuf s ARG 112 Cb 0.09 -4.68 0.02 0.00 0.52 0.00 0.00 34.95 30.90 2yuf s ARG 112 CO 0.84 -1.73 1.41 0.07 0.02 0.00 0.00 175.30 175.90 2yuf h ARG 113 N 8.97 0.00 -0.08 3.54 0.11 -1.80 -1.95 114.38 123.17 2yuf h ARG 113 Ca 0.01 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.87 2yuf h ARG 113 Cb 1.04 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.13 2yuf h ARG 113 CO 1.10 0.78 -0.84 0.22 0.10 0.00 0.00 179.97 181.34 2yuf h ASP 114 N 0.00 0.72 0.08 0.08 3.58 -1.93 -1.62 116.42 117.34 2yuf h ASP 114 Ca -0.01 -0.51 -0.25 0.00 0.42 0.00 0.00 57.03 56.68 2yuf h ASP 114 Cb 1.50 -0.22 0.02 0.00 1.72 0.00 0.00 39.33 42.36 2yuf h ASP 114 CO 0.10 1.29 -1.05 -0.08 -2.88 0.00 0.00 179.24 176.62 2yuf h GLU 115 N 0.38 0.56 -0.34 0.28 4.81 -1.93 -2.66 114.58 115.68 2yuf h GLU 115 Ca -0.06 -0.72 -0.05 0.00 -0.13 0.00 0.00 59.36 58.40 2yuf h GLU 115 Cb 1.46 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 2yuf h GLU 115 CO 0.16 1.31 -0.00 1.25 -0.73 0.00 0.00 179.01 180.99 2yuf h LEU 116 N 0.15 0.59 -1.34 1.64 5.85 -1.42 -2.27 115.31 118.51 2yuf h LEU 116 Ca -0.15 -0.31 -0.07 0.00 0.84 0.00 0.00 57.88 58.19 2yuf h LEU 116 Cb 1.74 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.60 2yuf h LEU 116 CO 0.20 0.76 -0.29 0.15 -0.34 0.00 0.00 178.44 178.92 2yuf h PHE 117 N 0.41 0.08 -0.02 1.25 3.57 -1.39 -0.70 116.94 120.13 2yuf h PHE 117 Ca 0.10 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.45 2yuf h PHE 117 Cb 0.46 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2yuf h PHE 117 CO 0.04 0.35 -0.61 0.00 -2.23 0.00 0.00 178.31 175.86 2yuf h ALA 118 N 1.65 0.96 0.20 2.41 0.00 -1.24 -2.57 119.26 120.66 2yuf h ALA 118 Ca 0.01 -0.55 -0.31 0.00 0.00 0.00 0.00 54.91 54.06 2yuf h ALA 118 Cb 0.54 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.26 2yuf h ALA 118 CO 0.04 0.75 -1.43 -0.07 0.00 0.00 0.00 179.25 178.54 2yuf h LEU 119 N 0.04 0.66 -0.83 0.00 3.38 -0.96 -3.26 115.31 114.35 2yuf h LEU 119 Ca -0.01 -0.92 -0.00 0.00 0.09 0.00 0.00 57.88 57.04 2yuf h LEU 119 Cb 1.09 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 2yuf h LEU 119 CO 0.08 1.67 0.52 0.00 0.09 0.00 0.00 178.44 180.80 2yuf h ALA 120 N 0.10 1.06 -0.34 1.53 0.00 -1.16 -2.10 119.26 118.34 2yuf h ALA 120 Ca -0.27 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2yuf h ALA 120 Cb 2.01 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 2yuf h ALA 120 CO 0.20 0.50 0.10 0.00 0.00 0.00 0.00 179.25 180.06 2yuf h ARG 121 N 1.13 0.49 0.00 0.00 3.08 -1.58 -0.52 114.38 116.99 2yuf h ARG 121 Ca 0.30 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 2yuf h ARG 121 Cb -0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 2yuf h ARG 121 CO -0.06 0.44 -0.21 0.37 -1.07 0.00 0.00 179.97 179.44 2yuf h GLN 122 N 0.49 0.00 0.00 0.04 4.15 -1.42 -2.65 115.11 115.72 2yuf h GLN 122 Ca 0.12 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.30 2yuf h GLN 122 Cb 0.16 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.81 2yuf h GLN 122 CO -0.01 0.21 -1.51 0.82 -1.93 0.00 0.00 178.83 176.42 2yuf h ILE 123 N 0.00 0.78 -0.50 2.39 2.04 -1.20 -3.33 117.51 117.70 2yuf h ILE 123 Ca -0.00 -2.48 0.06 0.00 1.00 0.00 0.00 64.86 63.45 2yuf h ILE 123 Cb 0.37 2.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.73 2yuf h ILE 123 CO 0.03 0.44 0.33 -1.28 0.00 0.00 0.00 178.15 177.67 2yuf h SER 124 N 0.00 0.36 0.98 1.72 0.87 -0.75 -0.95 113.55 115.78 2yuf h SER 124 Ca -0.21 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.14 2yuf h SER 124 Cb 1.82 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 63.67 2yuf h SER 124 CO 0.07 0.24 -1.02 0.03 -0.53 0.00 0.00 176.83 175.61 2yuf h ARG 125 N 0.41 0.01 -0.02 2.24 3.08 -1.67 -2.82 114.38 115.61 2yuf h ARG 125 Ca 0.22 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.16 2yuf h ARG 125 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2yuf h ARG 125 CO -0.06 0.99 -0.45 0.93 -1.07 0.00 0.00 179.97 180.32 2yuf h GLU 126 N 0.00 0.04 0.11 0.04 4.39 -1.31 -2.70 114.58 115.15 2yuf h GLU 126 Ca -0.02 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.49 2yuf h GLU 126 Cb 1.78 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.44 2yuf h GLU 126 CO 0.13 0.48 -0.81 0.28 -1.16 0.00 0.00 179.01 177.93 2yuf h VAL 127 N 0.03 1.46 -0.17 3.13 2.07 -1.39 -3.31 116.25 118.08 2yuf h VAL 127 Ca -0.00 -2.48 0.05 0.00 0.82 0.00 0.00 66.70 65.09 2yuf h VAL 127 Cb 0.80 3.12 -0.01 0.00 -1.52 0.00 0.00 31.29 33.69 2yuf h VAL 127 CO 0.06 0.69 0.14 0.74 0.02 0.00 0.00 177.57 179.22 2yuf h THR 128 N -0.47 0.73 0.25 2.57 2.02 -1.49 -3.02 112.91 113.50 2yuf h THR 128 Ca -0.15 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 2yuf h THR 128 Cb 1.56 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.87 2yuf h THR 128 CO 0.11 0.00 -0.15 0.22 0.37 0.00 0.00 175.52 176.06 2yuf h TYR 129 N 0.00 -0.41 -3.61 3.16 3.20 -1.56 -3.40 116.97 114.35 2yuf h TYR 129 Ca 0.08 -0.00 -0.68 0.00 3.14 0.00 0.00 58.73 61.27 2yuf h TYR 129 Cb 0.36 0.15 -0.26 0.00 1.54 0.00 0.00 36.73 38.52 2yuf h TYR 129 CO 0.00 -0.23 -0.62 0.15 -1.64 0.00 0.00 178.16 175.82 2yuf s LYS 130 N -3.90 3.15 0.06 1.82 3.01 -1.14 -4.92 119.74 117.81 2yuf s LYS 130 Ca -0.06 -0.82 0.00 0.00 -1.01 0.00 0.00 55.97 54.08 2yuf s LYS 130 Cb 0.01 -3.38 0.00 0.00 -1.01 0.00 0.00 37.83 33.45 2yuf s LYS 130 CO 0.19 -0.43 0.00 0.98 0.51 0.00 0.00 175.35 176.60 2yuf n TYR 131 N 4.88 -0.34 -2.77 3.18 4.19 -1.26 -4.84 117.16 120.21 2yuf n TYR 131 Ca -0.15 0.06 -0.31 0.00 3.31 0.00 0.00 57.90 60.81 2yuf n TYR 131 Cb 0.48 0.20 -0.04 0.00 0.49 0.00 0.00 39.34 40.47 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 -1.34 4.66 0.02 2.97 -4.23 -1.26 -4.94 115.64 111.52 2yuf s THR 132 Ca 0.00 0.91 0.08 0.00 -1.18 0.00 0.00 61.69 61.50 2yuf s THR 132 Cb 0.00 -3.70 -0.23 0.00 1.34 0.00 0.00 72.50 69.91 2yuf s THR 132 CO 0.00 -0.50 0.89 1.88 -0.54 0.00 0.00 174.62 176.35 2yuf h TYR 133 N 1.38 0.08 -2.98 3.99 0.05 -2.03 -3.47 116.97 113.99 2yuf h TYR 133 Ca -0.47 -0.06 -0.40 0.00 0.05 0.00 0.00 58.73 57.85 2yuf h TYR 133 Cb 1.18 -0.00 0.22 0.00 1.01 0.00 0.00 36.73 39.14 2yuf h TYR 133 CO 0.62 1.08 -0.13 0.54 -1.05 0.00 0.00 178.16 179.22 2yuf n ARG 134 N -3.22 -3.69 -0.10 4.88 1.74 -1.26 -5.00 116.66 109.99 2yuf n ARG 134 Ca -0.12 -1.08 -0.18 0.00 -0.77 0.00 0.00 57.85 55.70 2yuf n ARG 134 Cb 1.01 -2.02 -0.08 0.00 -1.02 0.00 0.00 32.46 30.36 2yuf n ARG 134 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2yuf n THR 135 N -5.42 1.50 -3.64 0.55 -1.04 -1.26 -5.10 114.28 99.87 2yuf n THR 135 Ca 0.07 -0.05 -0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2yuf n THR 135 Cb 0.57 -2.12 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 2yuf n THR 135 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2yuf n THR 136 N -4.43 0.00 0.04 12.58 5.66 -1.26 -5.10 114.28 121.77 2yuf n THR 136 Ca -0.30 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 2yuf n THR 136 Cb 0.62 0.16 0.00 0.00 -1.55 0.00 0.00 70.33 69.56 2yuf n THR 136 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2yuf n SER 137 N -0.61 -0.68 0.00 1.09 2.88 -1.26 -5.17 113.62 109.87 2yuf n SER 137 Ca -0.00 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 2yuf n SER 137 Cb 0.13 1.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.62 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 -1.09 -1.83 2.06 0.46 0.00 -1.26 -5.04 105.19 98.49 2yuf n GLY 138 Ca 0.00 -1.33 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 2yuf n GLY 138 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yuf n PRO 139 N -0.61 -1.63 -2.59 1.61 -0.04 -1.26 -5.06 135.00 125.41 2yuf n PRO 139 Ca 0.00 -1.06 -0.25 0.00 -0.04 0.00 0.00 63.50 62.15 2yuf n PRO 139 Cb 0.00 -0.87 0.03 0.00 -0.04 0.00 0.00 33.50 32.62 2yuf n PRO 139 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2yuf s SER 140 N -3.40 5.59 -0.34 3.54 1.04 -1.26 -4.75 113.70 114.13 2yuf s SER 140 Ca 0.41 0.50 -0.05 0.00 0.48 0.00 0.00 55.95 57.29 2yuf s SER 140 Cb -0.03 -1.54 0.01 0.00 0.10 0.00 0.00 66.02 64.56 2yuf s SER 140 CO 0.30 -0.99 0.18 -0.24 0.98 0.00 0.00 173.24 173.48 2yuf n SER 141 N -2.42 -7.87 0.00 7.02 2.88 -1.26 -5.34 113.62 106.63 2yuf n SER 141 Ca 0.04 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 2yuf n SER 141 Cb 0.58 -5.26 0.00 0.00 -0.75 0.00 0.00 64.21 58.78 2yuf n SER 141 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42