#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dba s SER 2 N 0.00 -0.62 0.29 1.61 0.15 -1.26 -5.17 113.70 108.70 2dba s SER 2 Ca 0.00 1.16 0.05 0.00 0.70 0.00 0.00 55.95 57.86 2dba s SER 2 Cb 0.00 1.14 -0.02 0.00 -1.71 0.00 0.00 66.02 65.43 2dba s SER 2 CO 0.00 -0.20 0.42 -0.94 1.20 0.00 0.00 173.24 173.72 2dba s SER 3 N 0.53 6.17 0.00 5.45 1.04 -1.26 -5.11 113.70 120.52 2dba s SER 3 Ca -0.02 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2dba s SER 3 Cb -0.04 -1.61 0.00 0.00 0.10 0.00 0.00 66.02 64.47 2dba s SER 3 CO -0.02 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2dba n GLY 4 N -1.54 1.60 3.44 7.32 0.00 -1.26 -5.18 105.19 109.57 2dba n GLY 4 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 2dba n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dba s SER 5 N 0.69 -0.58 0.90 1.61 0.15 -1.26 -5.18 113.70 110.03 2dba s SER 5 Ca 0.00 0.14 -0.13 0.00 0.70 0.00 0.00 55.95 56.66 2dba s SER 5 Cb 0.00 0.58 0.17 0.00 -1.71 0.00 0.00 66.02 65.06 2dba s SER 5 CO 0.00 -0.89 1.25 -0.44 1.20 0.00 0.00 173.24 174.36 2dba s SER 6 N -2.44 3.55 0.40 5.45 0.01 -1.26 -5.11 113.70 114.31 2dba s SER 6 Ca -0.01 0.30 0.05 0.00 1.31 0.00 0.00 55.95 57.60 2dba s SER 6 Cb -0.01 -0.48 -0.02 0.00 0.21 0.00 0.00 66.02 65.73 2dba s SER 6 CO -0.08 -2.45 0.19 0.61 0.41 0.00 0.00 173.24 171.91 2dba n GLY 7 N -3.56 3.12 3.21 3.44 0.00 -1.26 -5.18 105.19 104.97 2dba n GLY 7 Ca 0.14 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 2dba n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dba s MET 8 N -3.56 0.95 1.36 1.61 1.00 -1.26 -5.15 119.30 114.25 2dba s MET 8 Ca 0.26 -1.36 -0.20 0.00 0.00 0.00 0.00 55.69 54.39 2dba s MET 8 Cb 0.01 -0.49 0.35 0.00 0.00 0.00 0.00 34.83 34.70 2dba s MET 8 CO 0.19 0.05 0.96 0.95 0.00 0.00 0.00 175.02 177.16 2dba s THR 9 N -3.22 1.40 -0.28 2.05 -4.23 -1.26 -5.07 115.64 105.02 2dba s THR 9 Ca 0.13 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.41 2dba s THR 9 Cb 0.02 -2.09 0.11 0.00 1.34 0.00 0.00 72.50 71.89 2dba s THR 9 CO -0.01 0.00 0.96 0.54 -0.54 0.00 0.00 174.62 175.57 2dba s VAL 10 N -2.34 0.00 1.27 2.29 0.11 -1.26 -5.17 120.40 115.30 2dba s VAL 10 Ca 0.69 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.56 2dba s VAL 10 Cb -0.16 -1.00 0.29 0.00 -1.53 0.00 0.00 36.38 33.98 2dba s VAL 10 CO 0.59 0.00 0.72 -0.24 -3.33 0.00 0.00 175.10 172.85 2dba n SER 11 N 2.63 -2.96 -4.08 3.54 2.88 -1.26 -5.05 113.62 109.32 2dba n SER 11 Ca -0.14 -0.47 -0.15 0.00 -1.33 0.00 0.00 58.87 56.78 2dba n SER 11 Cb 0.56 -1.05 -0.12 0.00 -0.75 0.00 0.00 64.21 62.85 2dba n SER 11 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dba s GLY 12 N -2.50 0.59 0.22 0.46 0.00 -1.26 -5.05 107.32 99.78 2dba s GLY 12 Ca 0.62 -0.78 -0.01 0.00 0.00 0.00 0.00 44.72 44.56 2dba s GLY 12 CO 0.59 -0.81 1.59 -0.56 0.00 0.00 0.00 173.10 173.90 2dba h PRO 13 N 4.60 0.53 -1.43 2.90 0.13 -2.09 -3.47 132.00 133.18 2dba h PRO 13 Ca -0.36 -0.28 0.25 0.00 -0.87 0.00 0.00 66.00 64.74 2dba h PRO 13 Cb 1.20 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 2dba h PRO 13 CO 0.41 0.86 0.82 0.20 -0.23 0.00 0.00 178.00 180.06 2dba s GLY 14 N -4.08 -0.26 -0.88 1.56 0.00 -1.26 -5.09 107.32 97.31 2dba s GLY 14 Ca -0.07 1.74 -0.02 0.00 0.00 0.00 0.00 44.72 46.36 2dba s GLY 14 CO 0.82 0.61 0.77 -0.51 0.00 0.00 0.00 173.10 174.79 2dba s THR 15 N -2.22 4.41 1.20 0.90 -4.23 -1.26 -5.07 115.64 109.36 2dba s THR 15 Ca 0.09 -3.75 -0.19 0.00 -1.18 0.00 0.00 61.69 56.66 2dba s THR 15 Cb -0.01 -3.74 0.28 0.00 1.34 0.00 0.00 72.50 70.37 2dba s THR 15 CO -0.05 -1.08 1.11 -2.16 -0.54 0.00 0.00 174.62 171.91 2dba s PRO 16 N -1.22 -1.19 -0.02 3.99 0.04 -1.26 -5.05 135.00 130.29 2dba s PRO 16 Ca 0.27 -0.05 -0.02 0.00 0.04 0.00 0.00 61.00 61.24 2dba s PRO 16 Cb -0.08 -1.60 -0.04 0.00 0.04 0.00 0.00 34.50 32.82 2dba s PRO 16 CO -0.11 -3.69 0.11 -1.83 0.04 0.00 0.00 177.00 171.52 2dba s GLU 17 N -5.39 3.20 -0.05 4.56 4.04 -1.26 -5.07 118.70 118.73 2dba s GLU 17 Ca 0.71 -0.40 -0.30 0.00 0.04 0.00 0.00 54.97 55.02 2dba s GLU 17 Cb -0.10 -2.95 -0.05 0.00 0.02 0.00 0.00 34.13 31.05 2dba s GLU 17 CO 0.56 0.67 1.49 -1.25 -1.84 0.00 0.00 175.26 174.89 2dba s PRO 18 N -1.68 4.23 0.43 -4.83 0.04 -1.26 -4.99 135.00 126.94 2dba s PRO 18 Ca 0.23 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 63.04 2dba s PRO 18 Cb -0.12 -3.77 -0.08 0.00 0.04 0.00 0.00 34.50 30.56 2dba s PRO 18 CO 0.14 -0.72 1.27 1.03 0.04 0.00 0.00 177.00 178.76 2dba s ARG 19 N 3.28 3.83 -0.62 4.56 3.00 -1.26 -4.91 118.95 126.83 2dba s ARG 19 Ca 0.66 2.05 -0.26 0.00 0.00 0.00 0.00 55.73 58.18 2dba s ARG 19 Cb -0.31 -2.62 -0.02 0.00 0.00 0.00 0.00 34.95 32.00 2dba s ARG 19 CO 0.26 -0.57 1.87 -1.25 0.00 0.00 0.00 175.30 175.61 2dba s PRO 20 N -2.42 2.62 -1.12 3.54 0.04 -1.26 -4.91 135.00 131.49 2dba s PRO 20 Ca 0.60 0.57 -0.07 0.00 0.04 0.00 0.00 61.00 62.14 2dba s PRO 20 Cb -0.36 -4.42 0.28 0.00 0.04 0.00 0.00 34.50 30.04 2dba s PRO 20 CO 0.45 -2.77 1.33 0.00 0.04 0.00 0.00 177.00 176.05 2dba n ALA 21 N 12.84 4.65 -3.64 8.56 0.00 -1.26 -4.93 120.51 136.73 2dba n ALA 21 Ca 0.21 -4.67 -0.06 0.00 0.00 0.00 0.00 53.44 48.93 2dba n ALA 21 Cb 0.52 -2.49 -0.07 0.00 0.00 0.00 0.00 19.45 17.41 2dba n ALA 21 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2dba s THR 22 N -1.57 0.00 0.15 0.00 -1.32 -1.26 -5.05 115.64 106.58 2dba s THR 22 Ca 0.32 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.70 2dba s THR 22 Cb -0.02 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.93 2dba s THR 22 CO 0.00 0.00 1.48 1.55 -2.21 0.00 0.00 174.62 175.45 2dba h PRO 23 N 3.53 0.93 0.00 7.08 0.13 -2.03 -3.46 132.00 138.17 2dba h PRO 23 Ca -0.27 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 2dba h PRO 23 Cb 1.19 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2dba h PRO 23 CO 0.15 1.14 0.00 0.41 -0.23 0.00 0.00 178.00 179.47 2dba n GLY 24 N 0.12 0.02 2.76 1.56 0.00 -1.26 -5.00 105.19 103.39 2dba n GLY 24 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 2dba n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dba n ALA 25 N 0.00 -0.79 -0.02 4.61 0.00 -1.26 -4.87 120.51 118.18 2dba n ALA 25 Ca 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 53.44 53.66 2dba n ALA 25 Cb 0.00 -3.21 -0.02 0.00 0.00 0.00 0.00 19.45 16.21 2dba n ALA 25 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dba n SER 26 N -1.91 4.22 -4.69 0.00 7.64 -1.26 -4.48 113.62 113.14 2dba n SER 26 Ca -0.12 -0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.33 2dba n SER 26 Cb 0.62 0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 64.37 2dba n SER 26 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dba s SER 27 N -3.39 7.08 0.40 6.43 0.01 -1.26 -4.78 113.70 118.19 2dba s SER 27 Ca -0.02 1.75 0.25 0.00 1.31 0.00 0.00 55.95 59.24 2dba s SER 27 Cb 0.01 -2.56 1.35 0.00 0.21 0.00 0.00 66.02 65.03 2dba s SER 27 CO 0.13 -0.56 1.61 1.62 0.41 0.00 0.00 173.24 176.45 2dba h VAL 28 N 5.05 0.10 -0.78 3.43 3.04 -1.92 1.19 116.25 126.35 2dba h VAL 28 Ca -0.33 -0.03 -0.01 0.00 -1.01 0.00 0.00 66.70 65.31 2dba h VAL 28 Cb 1.16 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 30.40 2dba h VAL 28 CO 0.88 0.02 0.44 1.05 -1.01 0.00 0.00 177.57 178.94 2dba h GLU 29 N 0.09 1.08 0.00 4.17 4.11 -1.96 -2.46 114.58 119.62 2dba h GLU 29 Ca 0.82 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 60.13 2dba h GLU 29 Cb 2.34 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 31.37 2dba h GLU 29 CO -0.57 0.80 -0.16 0.37 0.07 0.00 0.00 179.01 179.52 2dba h GLN 30 N 1.08 0.00 -1.50 1.06 5.75 0.83 -3.36 115.11 118.97 2dba h GLN 30 Ca 0.28 0.00 0.45 0.00 -0.15 0.00 0.00 58.65 59.23 2dba h GLN 30 Cb 0.02 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.49 2dba h GLN 30 CO -0.05 0.00 1.06 1.47 -2.65 0.00 0.00 178.83 178.66 2dba n LEU 31 N -3.50 0.05 -0.35 -2.39 -0.00 0.11 -0.62 117.00 110.29 2dba n LEU 31 Ca -0.02 0.92 -0.10 0.00 -0.00 0.00 0.00 56.01 56.80 2dba n LEU 31 Cb 0.08 -0.46 -0.08 0.00 -0.00 0.00 0.00 43.42 42.97 2dba n LEU 31 CO 0.03 -0.94 0.50 -0.09 -0.00 0.00 0.00 177.39 176.89 2dba h ARG 32 N 0.00 -0.08 -1.33 1.47 2.43 -1.58 1.07 114.38 116.35 2dba h ARG 32 Ca 0.77 0.01 0.39 0.00 -0.81 0.00 0.00 59.98 60.33 2dba h ARG 32 Cb 2.92 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 32.42 2dba h ARG 32 CO -0.12 -0.05 0.94 0.87 -1.51 0.00 0.00 179.97 180.10 2dba h LYS 33 N -0.09 0.06 -0.20 0.20 1.79 -1.11 -0.18 116.57 117.05 2dba h LYS 33 Ca 0.17 -0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.68 2dba h LYS 33 Cb 0.47 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.04 2dba h LYS 33 CO -0.87 0.04 -0.39 1.49 -1.08 0.00 0.00 179.45 178.64 2dba h GLU 34 N 0.07 -0.41 0.00 3.15 4.57 0.11 -1.30 114.58 120.77 2dba h GLU 34 Ca 0.67 0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 58.71 2dba h GLU 34 Cb 2.49 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 31.14 2dba h GLU 34 CO -0.09 -0.27 -0.79 0.78 -1.18 0.00 0.00 179.01 177.45 2dba h GLY 35 N -0.42 0.00 0.61 1.92 0.00 -1.12 -3.27 103.07 100.78 2dba h GLY 35 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.51 2dba h GLY 35 CO -0.43 0.00 0.44 -0.57 0.00 0.00 0.00 176.54 175.98 2dba h ASN 36 N 0.00 0.64 -0.17 0.19 -0.73 -0.67 0.93 115.58 115.77 2dba h ASN 36 Ca -0.01 0.04 -0.13 0.00 1.87 0.00 0.00 56.30 58.07 2dba h ASN 36 Cb 1.58 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 40.08 2dba h ASN 36 CO 0.10 0.39 -0.36 -0.33 -0.37 0.00 0.00 177.43 176.86 2dba h GLU 37 N 0.77 0.69 0.00 6.67 5.08 -1.33 -0.97 114.58 125.49 2dba h GLU 37 Ca 0.36 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2dba h GLU 37 Cb 0.27 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2dba h GLU 37 CO -0.21 0.94 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.66 2dba h LEU 38 N 0.57 0.00 0.00 1.33 3.38 -1.36 -2.86 115.31 116.38 2dba h LEU 38 Ca 0.06 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 2dba h LEU 38 Cb 0.88 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 2dba h LEU 38 CO 0.08 0.01 -0.95 0.15 0.09 0.00 0.00 178.44 177.81 2dba h PHE 39 N 0.00 0.01 0.00 1.13 3.57 -0.52 0.53 116.94 121.66 2dba h PHE 39 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2dba h PHE 39 Cb 0.61 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.35 2dba h PHE 39 CO 0.00 1.37 0.00 0.36 -2.23 0.00 0.00 178.31 177.81 2dba n LYS 40 N -4.47 0.02 -0.02 1.11 2.85 -0.40 -1.27 118.16 115.99 2dba n LYS 40 Ca -0.26 0.37 0.04 0.00 -1.05 0.00 0.00 58.31 57.40 2dba n LYS 40 Cb 0.64 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.40 2dba n LYS 40 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2dba n GLY 42 N 1.78 1.42 3.53 0.00 0.00 -0.39 -5.04 105.19 106.49 2dba n GLY 42 Ca -0.08 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 2dba n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dba n ASP 43 N 0.00 0.94 0.07 1.61 9.92 0.18 -4.72 116.55 124.55 2dba n ASP 43 Ca 0.00 -0.75 -0.23 0.00 -0.53 0.00 0.00 54.79 53.28 2dba n ASP 43 Cb 0.00 -1.26 -0.15 0.00 -0.64 0.00 0.00 41.12 39.07 2dba n ASP 43 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 2dba h TYR 44 N 13.99 0.69 -0.98 1.24 0.05 -1.93 -2.95 116.97 127.08 2dba h TYR 44 Ca -0.06 -0.51 0.26 0.00 0.05 0.00 0.00 58.73 58.48 2dba h TYR 44 Cb 1.15 -0.03 -0.06 0.00 1.01 0.00 0.00 36.73 38.80 2dba h TYR 44 CO 1.15 1.62 0.68 0.78 -1.05 0.00 0.00 178.16 181.33 2dba h GLY 45 N 0.39 0.47 0.00 3.88 0.00 -1.93 -2.18 103.07 103.71 2dba h GLY 45 Ca -0.31 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 2dba h GLY 45 CO 0.17 -0.03 -0.65 0.61 0.00 0.00 0.00 176.54 176.63 2dba n GLY 46 N -1.62 -0.92 0.29 4.60 0.00 -1.25 -4.06 105.19 102.22 2dba n GLY 46 Ca 0.21 -0.14 0.20 0.00 0.00 0.00 0.00 46.02 46.29 2dba n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dba n ALA 47 N -3.66 0.65 -0.07 4.61 0.00 -1.11 0.14 120.51 121.06 2dba n ALA 47 Ca -0.11 0.90 -0.08 0.00 0.00 0.00 0.00 53.44 54.15 2dba n ALA 47 Cb 0.34 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 19.00 2dba n ALA 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2dba h LEU 48 N 0.00 0.16 -0.52 0.00 7.12 -1.59 -1.91 115.31 118.57 2dba h LEU 48 Ca 0.62 0.02 0.09 0.00 0.13 0.00 0.00 57.88 58.74 2dba h LEU 48 Cb 1.48 -0.01 -0.07 0.00 -0.53 0.00 0.00 40.66 41.53 2dba h LEU 48 CO -0.74 0.13 0.12 0.00 -0.13 0.00 0.00 178.44 177.82 2dba h ALA 49 N 1.16 0.61 -0.14 1.25 0.00 0.11 -0.80 119.26 121.44 2dba h ALA 49 Ca 0.12 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2dba h ALA 49 Cb 0.06 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2dba h ALA 49 CO -0.10 -0.29 0.06 0.00 0.00 0.00 0.00 179.25 178.92 2dba h ALA 50 N 1.40 0.16 -0.61 0.00 0.00 -1.07 -2.68 119.26 116.47 2dba h ALA 50 Ca 0.26 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.25 2dba h ALA 50 Cb 0.35 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2dba h ALA 50 CO -0.33 -0.38 0.31 1.88 0.00 0.00 0.00 179.25 180.73 2dba h TYR 51 N 0.13 0.56 -0.51 0.00 0.05 -0.69 -2.29 116.97 114.22 2dba h TYR 51 Ca 0.06 0.02 0.10 0.00 0.05 0.00 0.00 58.73 58.97 2dba h TYR 51 Cb 0.03 -0.16 -0.09 0.00 1.01 0.00 0.00 36.73 37.51 2dba h TYR 51 CO -0.10 0.25 -0.05 1.15 -1.05 0.00 0.00 178.16 178.37 2dba h THR 52 N 0.58 0.56 0.06 -2.88 2.02 -0.84 -1.86 112.91 110.54 2dba h THR 52 Ca 0.28 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.44 2dba h THR 52 Cb 0.21 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2dba h THR 52 CO -0.20 0.01 -0.10 1.56 0.37 0.00 0.00 175.52 177.17 2dba h GLN 53 N 0.07 -0.19 -0.37 6.66 4.20 -1.20 -1.50 115.11 122.78 2dba h GLN 53 Ca 0.25 0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.04 2dba h GLN 53 Cb 0.39 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.13 2dba h GLN 53 CO -0.46 -0.13 -0.44 0.00 -0.67 0.00 0.00 178.83 177.13 2dba h ALA 54 N 0.73 -0.49 -0.61 3.87 0.00 -0.96 -0.87 119.26 120.93 2dba h ALA 54 Ca 0.02 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.05 2dba h ALA 54 Cb 0.21 0.90 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 2dba h ALA 54 CO -0.06 -0.89 0.29 -0.07 0.00 0.00 0.00 179.25 178.52 2dba h LEU 55 N -0.36 0.39 -1.21 0.00 3.38 -1.23 -1.66 115.31 114.62 2dba h LEU 55 Ca 0.12 0.05 0.29 0.00 0.09 0.00 0.00 57.88 58.43 2dba h LEU 55 Cb 0.59 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.21 2dba h LEU 55 CO -0.55 0.25 0.66 1.23 0.09 0.00 0.00 178.44 180.11 2dba h GLY 56 N 0.54 1.56 -1.35 0.83 0.00 -0.08 -3.41 103.07 101.15 2dba h GLY 56 Ca 0.29 -0.23 -0.51 0.00 0.00 0.00 0.00 47.33 46.88 2dba h GLY 56 CO -0.22 -0.26 0.38 1.08 0.00 0.00 0.00 176.54 177.51 2dba s LEU 57 N -9.94 3.16 0.00 3.11 1.43 -0.62 -4.91 118.68 110.91 2dba s LEU 57 Ca -0.09 1.58 -0.05 0.00 -1.03 0.00 0.00 54.13 54.54 2dba s LEU 57 Cb 0.27 -4.49 -0.21 0.00 0.03 0.00 0.00 46.19 41.79 2dba s LEU 57 CO 0.80 -1.31 3.12 -0.90 0.23 0.00 0.00 176.35 178.28 2dba n ASP 58 N -3.02 4.70 -4.73 2.29 5.75 -1.26 -4.93 116.55 115.35 2dba n ASP 58 Ca 0.07 -2.36 -0.37 0.00 -0.01 0.00 0.00 54.79 52.11 2dba n ASP 58 Cb 0.54 -1.24 0.06 0.00 -1.03 0.00 0.00 41.12 39.45 2dba n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dba n ALA 59 N 2.43 1.27 -0.88 2.12 0.00 -1.26 -4.93 120.51 119.26 2dba n ALA 59 Ca 0.34 0.04 -0.34 0.00 0.00 0.00 0.00 53.44 53.48 2dba n ALA 59 Cb 0.78 -2.33 0.09 0.00 0.00 0.00 0.00 19.45 17.98 2dba n ALA 59 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dba n THR 60 N -1.64 0.03 0.32 0.00 -2.24 -1.26 -4.68 114.28 104.80 2dba n THR 60 Ca 0.14 -0.31 0.16 0.00 -2.27 0.00 0.00 64.05 61.77 2dba n THR 60 Cb 0.47 -0.38 0.64 0.00 -2.10 0.00 0.00 70.33 68.96 2dba n THR 60 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2dba h PRO 61 N -1.32 0.00 0.00 -0.78 0.13 -2.01 -2.41 132.00 125.61 2dba h PRO 61 Ca -0.44 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.51 2dba h PRO 61 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 2dba h PRO 61 CO 0.30 0.00 -1.02 1.96 -0.23 0.00 0.00 178.00 179.01 2dba h GLN 62 N 0.00 0.00 0.15 0.86 4.20 -1.97 -3.32 115.11 115.03 2dba h GLN 62 Ca 0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 2dba h GLN 62 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2dba h GLN 62 CO 0.00 0.65 -1.52 -0.44 -0.67 0.00 0.00 178.83 176.84 2dba h ASP 63 N 0.00 0.49 -0.38 1.46 5.19 -1.82 -3.36 116.42 118.01 2dba h ASP 63 Ca -0.08 -0.64 0.07 0.00 -0.62 0.00 0.00 57.03 55.76 2dba h ASP 63 Cb 1.66 -0.16 -0.07 0.00 0.18 0.00 0.00 39.33 40.94 2dba h ASP 63 CO 0.09 1.53 -0.05 1.56 -3.12 0.00 0.00 179.24 179.25 2dba h GLN 64 N 0.09 0.05 -0.98 3.56 4.20 -1.56 -0.94 115.11 119.52 2dba h GLN 64 Ca -0.25 -0.00 0.23 0.00 0.06 0.00 0.00 58.65 58.69 2dba h GLN 64 Cb 2.05 -0.01 -0.12 0.00 0.30 0.00 0.00 27.48 29.69 2dba h GLN 64 CO 0.19 0.03 0.57 0.00 -0.67 0.00 0.00 178.83 178.94 2dba h ALA 65 N 1.36 1.70 0.12 3.87 0.00 -1.70 0.63 119.26 125.24 2dba h ALA 65 Ca 0.19 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2dba h ALA 65 Cb 0.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2dba h ALA 65 CO -0.35 -0.23 -0.06 0.28 0.00 0.00 0.00 179.25 178.89 2dba h VAL 66 N 0.59 0.99 0.00 0.00 2.07 -1.34 -2.01 116.25 116.56 2dba h VAL 66 Ca 0.62 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 2dba h VAL 66 Cb 1.12 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2dba h VAL 66 CO -0.46 0.10 -0.05 -0.07 0.02 0.00 0.00 177.57 177.11 2dba h LEU 67 N -0.35 0.00 -0.02 2.57 3.38 -0.77 -1.26 115.31 118.87 2dba h LEU 67 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2dba h LEU 67 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2dba h LEU 67 CO 0.03 0.05 -0.07 0.45 0.09 0.00 0.00 178.44 178.98 2dba h HIS 68 N 0.00 0.11 0.00 1.13 3.86 -0.56 0.66 115.15 120.36 2dba h HIS 68 Ca -0.00 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.10 2dba h HIS 68 Cb 0.14 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 2dba h HIS 68 CO 0.00 0.70 -0.29 0.07 0.86 0.00 0.00 177.93 179.27 2dba h ARG 69 N -0.51 0.00 0.00 2.45 0.11 -0.98 -3.12 114.38 112.33 2dba h ARG 69 Ca -0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2dba h ARG 69 Cb 0.71 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.78 2dba h ARG 69 CO 0.02 0.29 -0.07 -0.91 0.10 0.00 0.00 179.97 179.40 2dba h ASN 70 N 0.00 0.00 -0.97 0.08 4.21 -1.24 -3.33 115.58 114.33 2dba h ASN 70 Ca -0.00 -0.49 0.26 0.00 1.21 0.00 0.00 56.30 57.27 2dba h ASN 70 Cb 0.66 0.00 -0.18 0.00 -1.12 0.00 0.00 38.32 37.68 2dba h ASN 70 CO 0.04 0.78 0.01 0.03 -1.29 0.00 0.00 177.43 177.00 2dba h ARG 71 N -1.00 0.02 -0.99 0.81 2.47 -0.89 1.02 114.38 115.82 2dba h ARG 71 Ca -0.01 -0.00 0.14 0.00 -1.26 0.00 0.00 59.98 58.84 2dba h ARG 71 Cb 0.54 -0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.77 2dba h ARG 71 CO -0.01 0.01 0.61 0.00 0.56 0.00 0.00 179.97 181.15 2dba h ALA 72 N 1.96 1.53 0.32 0.04 0.00 -1.68 -2.65 119.26 118.78 2dba h ALA 72 Ca 0.57 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.52 2dba h ALA 72 Cb 1.14 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2dba h ALA 72 CO -0.90 0.15 -0.48 0.00 0.00 0.00 0.00 179.25 178.02 2dba h ALA 73 N 1.56 -1.06 -0.91 0.00 0.00 0.99 -1.89 119.26 117.96 2dba h ALA 73 Ca 0.51 -0.15 0.26 0.00 0.00 0.00 0.00 54.91 55.53 2dba h ALA 73 Cb 0.59 0.77 -0.17 0.00 0.00 0.00 0.00 17.79 18.98 2dba h ALA 73 CO -0.30 -1.13 0.05 0.00 0.00 0.00 0.00 179.25 177.88 2dba h HIS 75 N 0.00 -0.98 -0.98 0.00 3.86 -1.39 -0.85 115.15 114.81 2dba h HIS 75 Ca 0.57 -0.02 0.34 0.00 -1.16 0.00 0.00 60.37 60.09 2dba h HIS 75 Cb 1.20 0.32 -0.18 0.00 1.06 0.00 0.00 27.41 29.82 2dba h HIS 75 CO -0.43 -0.61 0.31 -0.07 0.86 0.00 0.00 177.93 177.99 2dba h LEU 76 N -1.18 -0.01 -0.57 2.43 3.38 -0.09 1.51 115.31 120.77 2dba h LEU 76 Ca -0.11 0.26 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 2dba h LEU 76 Cb 0.81 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2dba h LEU 76 CO 0.18 -0.35 -0.60 0.11 0.09 0.00 0.00 178.44 177.86 2dba h LYS 77 N 0.05 0.38 -1.28 1.13 6.56 -1.12 -3.10 116.57 119.19 2dba h LYS 77 Ca 0.71 -0.26 -0.40 0.00 -1.06 0.00 0.00 60.65 59.64 2dba h LYS 77 Cb 1.69 0.04 -0.19 0.00 -0.57 0.00 0.00 32.23 33.20 2dba h LYS 77 CO -0.81 0.87 0.52 1.28 -2.06 0.00 0.00 179.45 179.25 2dba n LEU 78 N -3.90 6.48 -4.24 2.94 4.77 0.49 -4.84 117.00 118.69 2dba n LEU 78 Ca -0.03 -3.41 -0.35 0.00 -0.03 0.00 0.00 56.01 52.19 2dba n LEU 78 Cb 0.62 -0.95 -0.04 0.00 -2.33 0.00 0.00 43.42 40.72 2dba n LEU 78 CO 0.46 1.19 -0.12 -0.62 -1.33 0.00 0.00 177.39 176.96 2dba n GLU 79 N -0.16 -2.58 -1.91 3.23 1.02 -0.77 -4.84 120.64 114.63 2dba n GLU 79 Ca 0.39 0.31 -0.22 0.00 -0.02 0.00 0.00 57.16 57.62 2dba n GLU 79 Cb 0.76 -4.81 0.03 0.00 -0.02 0.00 0.00 31.44 27.41 2dba n GLU 79 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dba n ASP 80 N -2.70 4.78 -0.32 1.62 8.00 0.51 -4.82 116.55 123.63 2dba n ASP 80 Ca -0.02 -3.76 0.10 0.00 0.71 0.00 0.00 54.79 51.82 2dba n ASP 80 Cb 0.53 -0.37 0.27 0.00 -0.02 0.00 0.00 41.12 41.53 2dba n ASP 80 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2dba h TYR 81 N 2.10 0.91 -0.49 1.24 0.05 -1.83 -2.07 116.97 116.86 2dba h TYR 81 Ca 0.35 0.03 0.05 0.00 0.05 0.00 0.00 58.73 59.21 2dba h TYR 81 Cb 1.49 -0.26 -0.07 0.00 1.01 0.00 0.00 36.73 38.90 2dba h TYR 81 CO 0.86 0.21 -0.39 -0.44 -1.05 0.00 0.00 178.16 177.35 2dba h ASP 82 N 0.69 -1.37 0.09 3.88 5.19 -1.90 -1.09 116.42 121.91 2dba h ASP 82 Ca 0.51 0.20 -0.00 0.00 -0.62 0.00 0.00 57.03 57.12 2dba h ASP 82 Cb 0.75 0.59 0.00 0.00 0.18 0.00 0.00 39.33 40.85 2dba h ASP 82 CO -0.37 -0.21 -0.04 0.11 -3.12 0.00 0.00 179.24 175.61 2dba h LYS 83 N -0.12 -0.11 -0.84 3.56 1.57 -1.87 -3.09 116.57 115.66 2dba h LYS 83 Ca 0.08 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.99 2dba h LYS 83 Cb 0.34 0.03 -0.13 0.00 0.08 0.00 0.00 32.23 32.54 2dba h LYS 83 CO -0.53 -0.01 -0.36 0.00 -0.57 0.00 0.00 179.45 177.98 2dba n ALA 84 N -2.18 -0.19 -0.35 3.86 0.00 -0.73 0.69 120.51 121.61 2dba n ALA 84 Ca -0.08 0.81 0.08 0.00 0.00 0.00 0.00 53.44 54.25 2dba n ALA 84 Cb 0.10 -0.33 0.18 0.00 0.00 0.00 0.00 19.45 19.40 2dba n ALA 84 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2dba h GLU 85 N 0.00 0.00 0.36 0.00 4.81 -1.14 0.19 114.58 118.80 2dba h GLU 85 Ca 0.26 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 2dba h GLU 85 Cb 0.47 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2dba h GLU 85 CO -0.83 0.00 -0.17 1.15 -0.73 0.00 0.00 179.01 178.43 2dba h THR 86 N 0.00 0.00 -0.87 0.32 2.02 0.13 -3.18 112.91 111.33 2dba h THR 86 Ca 0.51 -0.10 0.12 0.00 0.77 0.00 0.00 66.41 67.71 2dba h THR 86 Cb 0.85 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.12 2dba h THR 86 CO -0.99 0.00 -0.44 -0.33 0.37 0.00 0.00 175.52 174.12 2dba h GLU 87 N -0.58 -0.06 -0.84 6.66 4.39 -0.85 -0.62 114.58 122.67 2dba h GLU 87 Ca -0.05 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.74 2dba h GLU 87 Cb 0.37 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.93 2dba h GLU 87 CO 0.08 -0.04 -0.48 0.00 -1.16 0.00 0.00 179.01 177.41 2dba n ALA 88 N -3.32 -0.50 -0.06 3.43 0.00 0.58 -0.34 120.51 120.30 2dba n ALA 88 Ca 0.06 0.73 -0.11 0.00 0.00 0.00 0.00 53.44 54.12 2dba n ALA 88 Cb 0.35 -0.14 -0.05 0.00 0.00 0.00 0.00 19.45 19.61 2dba n ALA 88 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dba h SER 89 N 0.00 -1.29 -1.36 0.00 4.64 -1.09 0.20 113.55 114.65 2dba h SER 89 Ca 0.15 0.19 0.40 0.00 -0.47 0.00 0.00 61.79 62.06 2dba h SER 89 Cb 0.36 0.55 -0.08 0.00 -0.31 0.00 0.00 62.40 62.92 2dba h SER 89 CO -0.80 -0.39 0.95 0.11 -0.87 0.00 0.00 176.83 175.84 2dba h LYS 90 N -0.40 0.07 -0.06 4.77 1.57 -0.48 1.11 116.57 123.16 2dba h LYS 90 Ca 0.11 -0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.70 2dba h LYS 90 Cb 0.59 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2dba h LYS 90 CO -0.47 0.05 -0.76 0.00 -0.57 0.00 0.00 179.45 177.70 2dba h ALA 91 N 1.38 0.57 0.34 3.86 0.00 0.14 -3.03 119.26 122.54 2dba h ALA 91 Ca 0.70 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2dba h ALA 91 Cb 2.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.28 2dba h ALA 91 CO -0.12 0.78 -0.16 0.82 0.00 0.00 0.00 179.25 180.56 2dba h ILE 92 N 0.25 0.38 -0.73 0.00 2.04 0.18 -3.29 117.51 116.34 2dba h ILE 92 Ca -0.04 -0.74 0.16 0.00 1.00 0.00 0.00 64.86 65.25 2dba h ILE 92 Cb 1.35 0.61 -0.13 0.00 -0.74 0.00 0.00 36.82 37.91 2dba h ILE 92 CO 0.13 0.09 -0.01 1.05 0.00 0.00 0.00 178.15 179.41 2dba h GLU 93 N -1.00 0.09 -0.68 2.37 4.11 -1.37 0.71 114.58 118.82 2dba h GLU 93 Ca -0.05 -0.01 0.06 0.00 0.07 0.00 0.00 59.36 59.44 2dba h GLU 93 Cb 0.50 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.64 2dba h GLU 93 CO 0.08 0.06 -0.44 0.87 0.07 0.00 0.00 179.01 179.65 2dba h LYS 94 N 0.10 -0.05 0.00 1.06 1.79 -1.60 -3.33 116.57 114.54 2dba h LYS 94 Ca 0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 2dba h LYS 94 Cb 0.68 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 2dba h LYS 94 CO -0.65 -0.03 -0.02 -0.25 -1.08 0.00 0.00 179.45 177.42 2dba n ASP 95 N -4.69 0.06 0.00 0.86 8.00 -0.74 -5.03 116.55 115.01 2dba n ASP 95 Ca 0.01 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2dba n ASP 95 Cb 0.20 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 2dba n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dba n GLY 96 N 1.73 3.64 2.77 0.44 0.00 0.24 -4.95 105.19 109.06 2dba n GLY 96 Ca -0.00 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 2dba n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dba n GLY 97 N 0.00 5.80 2.90 -0.02 0.00 -1.26 -4.90 105.19 107.71 2dba n GLY 97 Ca 0.00 -2.60 -0.30 0.00 0.00 0.00 0.00 46.02 43.12 2dba n GLY 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dba s ASP 98 N -1.86 4.32 0.30 1.61 1.11 -1.26 -4.94 116.67 115.95 2dba s ASP 98 Ca 0.47 -2.37 0.24 0.00 0.18 0.00 0.00 52.55 51.07 2dba s ASP 98 Cb 0.34 -1.39 1.09 0.00 1.07 0.00 0.00 42.92 44.02 2dba s ASP 98 CO -0.26 -0.33 1.73 -0.37 1.18 0.00 0.00 175.17 177.12 2dba h VAL 99 N 6.06 0.00 -0.71 -1.27 -1.51 -1.90 -3.06 116.25 113.86 2dba h VAL 99 Ca -0.06 -0.19 0.13 0.00 -1.23 0.00 0.00 66.70 65.35 2dba h VAL 99 Cb 0.97 0.88 -0.09 0.00 -2.13 0.00 0.00 31.29 30.92 2dba h VAL 99 CO 0.55 0.00 0.26 0.11 -1.23 0.00 0.00 177.57 177.26 2dba h LYS 100 N 0.00 0.40 0.02 5.19 1.79 -1.95 0.50 116.57 122.52 2dba h LYS 100 Ca 0.00 -0.02 -0.21 0.00 -2.18 0.00 0.00 60.65 58.24 2dba h LYS 100 Cb 0.28 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 2dba h LYS 100 CO 0.00 0.26 -0.97 0.00 -1.08 0.00 0.00 179.45 177.67 2dba h ALA 101 N 1.51 0.42 -0.44 3.86 0.00 -1.87 -3.13 119.26 119.61 2dba h ALA 101 Ca 0.38 -0.82 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2dba h ALA 101 Cb 0.56 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2dba h ALA 101 CO -0.39 1.07 0.23 -0.07 0.00 0.00 0.00 179.25 180.09 2dba h LEU 102 N 0.04 0.57 -0.07 0.00 3.38 -1.25 0.50 115.31 118.47 2dba h LEU 102 Ca -0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2dba h LEU 102 Cb 1.67 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.27 2dba h LEU 102 CO 0.14 0.52 0.02 0.22 0.09 0.00 0.00 178.44 179.42 2dba h TYR 103 N 0.58 0.11 0.00 1.13 3.20 -1.04 -2.55 116.97 118.40 2dba h TYR 103 Ca 0.15 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 2dba h TYR 103 Cb 0.09 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 2dba h TYR 103 CO -0.02 0.27 -0.11 0.00 -1.64 0.00 0.00 178.16 176.67 2dba h ARG 104 N -0.08 0.00 0.65 1.82 3.08 -1.47 -3.10 114.38 115.28 2dba h ARG 104 Ca 0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 2dba h ARG 104 Cb 0.21 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.27 2dba h ARG 104 CO -0.00 0.11 -0.31 -0.09 -1.07 0.00 0.00 179.97 178.60 2dba h ARG 105 N 0.00 -0.84 -0.84 0.04 2.43 -0.49 -3.20 114.38 111.47 2dba h ARG 105 Ca -0.00 0.06 0.21 0.00 -0.81 0.00 0.00 59.98 59.44 2dba h ARG 105 Cb 0.29 0.19 -0.14 0.00 -0.42 0.00 0.00 29.97 29.89 2dba h ARG 105 CO 0.01 -0.56 0.13 0.66 -1.51 0.00 0.00 179.97 178.70 2dba h SER 106 N -1.14 -0.17 -1.07 -3.80 4.64 -1.43 0.40 113.55 110.98 2dba h SER 106 Ca -0.09 0.20 0.34 0.00 -0.47 0.00 0.00 61.79 61.77 2dba h SER 106 Cb 0.67 0.32 -0.14 0.00 -0.31 0.00 0.00 62.40 62.94 2dba h SER 106 CO 0.15 -0.18 0.64 1.56 -0.87 0.00 0.00 176.83 178.13 2dba h GLN 107 N 0.15 0.28 0.06 4.77 1.08 -1.54 0.17 115.11 120.08 2dba h GLN 107 Ca 0.50 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.69 2dba h GLN 107 Cb 0.98 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 2dba h GLN 107 CO -0.68 0.18 -0.03 0.00 -0.95 0.00 0.00 178.83 177.35 2dba h ALA 108 N 1.76 -0.09 -0.82 3.87 0.00 -0.26 -3.18 119.26 120.55 2dba h ALA 108 Ca 0.73 -0.28 0.20 0.00 0.00 0.00 0.00 54.91 55.56 2dba h ALA 108 Cb 1.84 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 19.53 2dba h ALA 108 CO -0.52 -0.14 0.16 -0.07 0.00 0.00 0.00 179.25 178.68 2dba h LEU 109 N -0.91 -0.11 -0.67 0.00 3.38 -0.72 0.41 115.31 116.70 2dba h LEU 109 Ca -0.01 0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.19 2dba h LEU 109 Cb 0.60 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 2dba h LEU 109 CO 0.01 -0.14 0.41 -0.33 0.09 0.00 0.00 178.44 178.48 2dba h GLU 110 N 0.19 0.78 0.00 1.13 4.39 -0.99 0.39 114.58 120.46 2dba h GLU 110 Ca 0.49 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 60.10 2dba h GLU 110 Cb 0.93 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 2dba h GLU 110 CO -0.64 0.51 -0.19 0.87 -1.16 0.00 0.00 179.01 178.41 2dba h LYS 111 N 0.80 0.00 -0.00 2.33 6.56 -0.50 -2.72 116.57 123.04 2dba h LYS 111 Ca 0.28 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.87 2dba h LYS 111 Cb 0.05 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.71 2dba h LYS 111 CO -0.12 0.19 -0.11 1.28 -2.06 0.00 0.00 179.45 178.63 2dba n LEU 112 N -3.26 0.34 0.00 2.94 4.77 0.11 -4.89 117.00 117.01 2dba n LEU 112 Ca 0.01 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2dba n LEU 112 Cb 0.47 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2dba n LEU 112 CO 0.33 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2dba n GLY 113 N 1.32 0.54 3.35 -0.72 0.00 -0.65 -5.03 105.19 104.01 2dba n GLY 113 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 2dba n GLY 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dba s ARG 114 N -0.87 3.29 -0.08 1.61 0.52 0.12 -4.85 118.95 118.69 2dba s ARG 114 Ca 0.00 -1.85 -0.06 0.00 -0.52 0.00 0.00 55.73 53.31 2dba s ARG 114 Cb 0.00 -4.41 -0.27 0.00 0.52 0.00 0.00 34.95 30.78 2dba s ARG 114 CO 0.00 -1.44 0.53 -0.07 0.02 0.00 0.00 175.30 174.34 2dba h LEU 115 N 9.06 0.43 -0.14 2.53 3.38 -1.87 -3.15 115.31 125.54 2dba h LEU 115 Ca -0.11 -0.82 0.03 0.00 0.09 0.00 0.00 57.88 57.08 2dba h LEU 115 Cb 1.07 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 2dba h LEU 115 CO 0.97 1.72 -0.05 -0.78 0.09 0.00 0.00 178.44 180.39 2dba h ASP 116 N 0.07 -0.18 -0.01 -0.43 3.58 -1.96 -2.78 116.42 114.71 2dba h ASP 116 Ca -0.37 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.13 2dba h ASP 116 Cb 2.05 0.11 -0.00 0.00 1.72 0.00 0.00 39.33 43.20 2dba h ASP 116 CO 0.12 -0.07 -0.01 1.56 -2.88 0.00 0.00 179.24 177.96 2dba h GLN 117 N -0.03 -0.02 -0.98 0.28 7.50 -1.98 -2.55 115.11 117.35 2dba h GLN 117 Ca 0.07 0.00 0.33 0.00 0.50 0.00 0.00 58.65 59.56 2dba h GLN 117 Cb 0.14 0.00 -0.17 0.00 0.05 0.00 0.00 27.48 27.50 2dba h GLN 117 CO -0.16 -0.01 0.37 0.00 -1.50 0.00 0.00 178.83 177.53 2dba h ALA 118 N 1.00 1.74 0.82 3.87 0.00 -1.54 0.13 119.26 125.27 2dba h ALA 118 Ca 0.01 0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 2dba h ALA 118 Cb 0.03 0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2dba h ALA 118 CO -0.02 -0.70 -0.39 0.28 0.00 0.00 0.00 179.25 178.41 2dba h VAL 119 N 0.10 0.00 -0.72 0.00 2.07 -1.26 0.59 116.25 117.03 2dba h VAL 119 Ca 0.72 -0.15 0.14 0.00 0.82 0.00 0.00 66.70 68.23 2dba h VAL 119 Cb 1.70 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.37 2dba h VAL 119 CO -0.75 0.00 0.23 -0.07 0.02 0.00 0.00 177.57 177.00 2dba h LEU 120 N -1.25 0.15 -0.51 2.57 3.38 -0.98 0.22 115.31 118.89 2dba h LEU 120 Ca -0.11 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2dba h LEU 120 Cb 0.84 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2dba h LEU 120 CO 0.18 0.04 0.21 0.44 0.09 0.00 0.00 178.44 179.41 2dba h ASP 121 N 0.36 0.71 -0.24 -0.43 5.19 -0.78 -2.70 116.42 118.52 2dba h ASP 121 Ca 0.40 -0.17 -0.06 0.00 -0.62 0.00 0.00 57.03 56.58 2dba h ASP 121 Cb 0.62 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.93 2dba h ASP 121 CO -0.43 0.68 -0.04 -0.07 -3.12 0.00 0.00 179.24 176.25 2dba h LEU 122 N 0.69 0.56 -0.53 1.55 3.38 0.72 -3.13 115.31 118.55 2dba h LEU 122 Ca 0.17 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.09 2dba h LEU 122 Cb 0.19 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.69 2dba h LEU 122 CO -0.01 0.66 -0.45 1.56 0.09 0.00 0.00 178.44 180.29 2dba h GLN 123 N 0.55 -0.25 -0.78 1.13 4.20 -0.29 0.23 115.11 119.90 2dba h GLN 123 Ca 0.11 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.92 2dba h GLN 123 Cb 0.42 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.21 2dba h GLN 123 CO 0.02 -0.17 0.51 0.00 -0.67 0.00 0.00 178.83 178.52 2dba h ARG 124 N -0.26 0.75 -1.15 1.46 3.08 -1.59 -1.20 114.38 115.46 2dba h ARG 124 Ca 0.16 -0.04 0.32 0.00 0.07 0.00 0.00 59.98 60.49 2dba h ARG 124 Cb 0.57 -0.17 -0.09 0.00 0.08 0.00 0.00 29.97 30.36 2dba h ARG 124 CO -0.66 0.49 0.76 0.00 -1.07 0.00 0.00 179.97 179.50 2dba n VAL 126 N -4.54 1.70 -0.15 0.00 0.31 -0.51 -3.03 118.33 112.11 2dba n VAL 126 Ca 0.28 -0.46 0.27 0.00 -0.01 0.00 0.00 64.34 64.43 2dba n VAL 126 Cb 1.09 -1.83 0.72 0.00 -0.91 0.00 0.00 33.84 32.91 2dba n VAL 126 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2dba h SER 127 N -0.28 0.00 0.47 4.52 0.87 -0.60 0.18 113.55 118.71 2dba h SER 127 Ca -0.41 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 59.88 2dba h SER 127 Cb 1.80 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.71 2dba h SER 127 CO -0.01 0.00 -1.73 0.18 -0.53 0.00 0.00 176.83 174.74 2dba n LEU 128 N -4.27 0.79 -3.86 2.23 4.77 -0.23 -4.65 117.00 111.78 2dba n LEU 128 Ca 0.17 0.37 -0.29 0.00 -0.03 0.00 0.00 56.01 56.23 2dba n LEU 128 Cb 0.92 0.19 -0.13 0.00 -2.33 0.00 0.00 43.42 42.06 2dba n LEU 128 CO 0.38 0.36 -0.16 -1.61 -1.33 0.00 0.00 177.39 175.03 2dba s GLU 129 N -2.64 1.90 0.00 3.23 0.41 0.59 -4.93 118.70 117.27 2dba s GLU 129 Ca -0.05 -2.65 0.15 0.00 -0.41 0.00 0.00 54.97 52.02 2dba s GLU 129 Cb 0.08 -3.05 0.87 0.00 -1.78 0.00 0.00 34.13 30.25 2dba s GLU 129 CO 0.82 -1.18 1.36 -0.35 -0.49 0.00 0.00 175.26 175.43 2dba n PRO 130 N 2.91 0.40 -0.07 0.39 -0.04 -1.08 -2.85 135.00 134.66 2dba n PRO 130 Ca 0.10 0.04 -0.10 0.00 -0.04 0.00 0.00 63.50 63.51 2dba n PRO 130 Cb 0.34 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.23 2dba n PRO 130 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2dba n LYS 131 N -1.09 0.44 -1.55 0.54 5.02 -1.26 -4.92 118.16 115.35 2dba n LYS 131 Ca 0.10 0.08 -0.34 0.00 -2.02 0.00 0.00 58.31 56.13 2dba n LYS 131 Cb 0.07 -1.28 -0.04 0.00 -0.02 0.00 0.00 35.03 33.76 2dba n LYS 131 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2dba n ASN 132 N -2.89 2.17 0.10 4.39 4.13 -1.13 -4.77 115.26 117.27 2dba n ASN 132 Ca -0.25 -0.58 -0.03 0.00 1.68 0.00 0.00 54.58 55.41 2dba n ASN 132 Cb 0.77 -1.56 0.00 0.00 -1.54 0.00 0.00 39.78 37.45 2dba n ASN 132 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 2dba h LYS 133 N 18.74 0.00 -1.27 3.52 2.10 -1.91 -3.25 116.57 134.49 2dba h LYS 133 Ca -0.21 0.00 0.37 0.00 -2.00 0.00 0.00 60.65 58.81 2dba h LYS 133 Cb 1.25 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.53 2dba h LYS 133 CO 1.16 0.76 0.95 0.28 -2.00 0.00 0.00 179.45 180.59 2dba h VAL 134 N 0.00 0.32 0.07 0.07 2.07 -1.98 0.30 116.25 117.11 2dba h VAL 134 Ca -0.01 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.36 2dba h VAL 134 Cb 1.49 0.33 0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2dba h VAL 134 CO 0.10 0.00 -0.62 -0.26 0.02 0.00 0.00 177.57 176.81 2dba h PHE 135 N 0.00 0.48 -0.74 1.57 0.04 -1.94 -2.80 116.94 113.56 2dba h PHE 135 Ca 0.61 -0.32 0.04 0.00 2.80 0.00 0.00 57.97 61.10 2dba h PHE 135 Cb 2.49 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 40.56 2dba h PHE 135 CO 0.00 1.20 0.46 1.96 -0.60 0.00 0.00 178.31 181.33 2dba h GLN 136 N -0.37 0.85 -0.21 1.51 4.20 -0.61 0.29 115.11 120.78 2dba h GLN 136 Ca -0.10 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.45 2dba h GLN 136 Cb 1.43 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 2dba h GLN 136 CO 0.12 0.56 -0.33 1.05 -0.67 0.00 0.00 178.83 179.56 2dba h GLU 137 N 0.88 0.43 -0.07 1.46 4.11 -1.31 0.64 114.58 120.72 2dba h GLU 137 Ca 0.31 -0.19 -0.21 0.00 0.07 0.00 0.00 59.36 59.34 2dba h GLU 137 Cb 0.07 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2dba h GLU 137 CO -0.13 0.72 -0.82 0.00 0.07 0.00 0.00 179.01 178.84 2dba h ALA 138 N 1.28 0.42 -0.05 1.06 0.00 -1.05 -3.11 119.26 117.80 2dba h ALA 138 Ca 0.04 -0.64 -0.20 0.00 0.00 0.00 0.00 54.91 54.12 2dba h ALA 138 Cb 0.76 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.54 2dba h ALA 138 CO 0.06 0.75 -0.74 1.25 0.00 0.00 0.00 179.25 180.56 2dba h LEU 139 N 0.35 0.73 -0.81 0.00 5.85 -0.32 -3.06 115.31 118.05 2dba h LEU 139 Ca -0.06 -0.71 0.00 0.00 0.84 0.00 0.00 57.88 57.95 2dba h LEU 139 Cb 1.44 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2dba h LEU 139 CO 0.15 1.34 0.00 0.54 -0.34 0.00 0.00 178.44 180.13 2dba n ARG 140 N -4.07 0.10 -0.07 1.25 5.12 0.21 0.51 116.66 119.71 2dba n ARG 140 Ca -0.10 0.53 -0.08 0.00 -1.93 0.00 0.00 57.85 56.27 2dba n ARG 140 Cb 0.73 -1.79 -0.07 0.00 -1.16 0.00 0.00 32.46 30.18 2dba n ARG 140 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2dba h ASN 141 N 0.00 0.00 0.10 0.55 2.35 -1.46 -3.16 115.58 113.97 2dba h ASN 141 Ca 0.00 -0.49 -0.17 0.00 -0.55 0.00 0.00 56.30 55.09 2dba h ASN 141 Cb 0.08 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.46 2dba h ASN 141 CO 0.00 0.83 -0.80 0.16 -1.65 0.00 0.00 177.43 175.96 2dba h ILE 142 N -1.00 1.44 -0.72 2.81 3.07 -1.51 -3.32 117.51 118.28 2dba h ILE 142 Ca -0.03 -2.46 0.10 0.00 1.55 0.00 0.00 64.86 64.02 2dba h ILE 142 Cb 0.60 3.09 -0.05 0.00 -0.27 0.00 0.00 36.82 40.19 2dba h ILE 142 CO -0.02 0.67 0.48 -1.28 -1.05 0.00 0.00 178.15 176.95 2dba h SER 143 N -0.51 0.54 -3.93 2.16 0.87 -0.16 -3.43 113.55 109.10 2dba h SER 143 Ca -0.16 0.01 -0.46 0.00 -1.23 0.00 0.00 61.79 59.96 2dba h SER 143 Cb 1.53 -0.10 0.08 0.00 -0.44 0.00 0.00 62.40 63.47 2dba h SER 143 CO 0.09 0.32 0.26 -0.83 -0.53 0.00 0.00 176.83 176.14 2dba s GLY 144 N -3.68 1.67 -0.27 5.77 0.00 -1.19 -4.99 107.32 104.61 2dba s GLY 144 Ca -0.09 -0.86 -0.29 0.00 0.00 0.00 0.00 44.72 43.49 2dba s GLY 144 CO 0.77 -0.44 1.64 2.56 0.00 0.00 0.00 173.10 177.63 2dba s PRO 145 N -5.30 3.64 0.96 2.90 0.04 -1.26 -4.90 135.00 131.09 2dba s PRO 145 Ca 0.60 1.51 -0.12 0.00 0.04 0.00 0.00 61.00 63.04 2dba s PRO 145 Cb -0.11 -4.08 0.10 0.00 0.04 0.00 0.00 34.50 30.45 2dba s PRO 145 CO 0.46 -1.48 0.69 -1.13 0.04 0.00 0.00 177.00 175.57 2dba n SER 146 N 8.99 -1.20 0.02 6.66 3.41 -1.26 -4.96 113.62 125.29 2dba n SER 146 Ca 0.20 0.31 -0.21 0.00 -0.26 0.00 0.00 58.87 58.91 2dba n SER 146 Cb 0.46 -1.29 -0.14 0.00 -0.26 0.00 0.00 64.21 62.97 2dba n SER 146 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dba h SER 147 N -1.78 0.41 -0.02 4.04 0.87 -1.94 -3.55 113.55 111.58 2dba h SER 147 Ca -0.45 -0.89 0.00 0.00 -1.23 0.00 0.00 61.79 59.22 2dba h SER 147 Cb 1.28 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2dba h SER 147 CO 0.38 1.50 0.00 0.61 -0.53 0.00 0.00 176.83 178.78