#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 0.04 0.26 1.61 0.01 -1.26 -5.19 113.70 109.16 2dba s SER 2 Ca 0.00 -1.04 -0.08 0.00 1.31 0.00 0.00 55.95 56.14 2dba s SER 2 Cb 0.00 0.78 -0.01 0.00 0.21 0.00 0.00 66.02 67.00 2dba s SER 2 CO 0.00 -1.53 0.40 -0.44 0.41 0.00 0.00 173.24 172.09 2dba s SER 3 N -3.05 0.15 0.00 2.44 0.01 -1.26 -5.18 113.70 106.81 2dba s SER 3 Ca 0.17 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.29 2dba s SER 3 Cb -0.04 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.74 2dba s SER 3 CO 0.11 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 173.26 2dba n GLY 4 N -0.39 3.77 3.38 3.44 0.00 -1.26 -5.19 105.19 108.94 2dba n GLY 4 Ca -0.00 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.93 2dba n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dba s SER 5 N 1.69 1.79 0.32 1.61 1.04 -1.26 -5.18 113.70 113.71 2dba s SER 5 Ca 0.00 -1.42 0.05 0.00 0.48 0.00 0.00 55.95 55.06 2dba s SER 5 Cb 0.00 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 2dba s SER 5 CO 0.00 -0.71 0.21 -0.94 0.98 0.00 0.00 173.24 172.78 2dba s SER 6 N -3.41 1.66 0.00 7.02 1.04 -1.26 -5.17 113.70 113.59 2dba s SER 6 Ca 0.36 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 55.14 2dba s SER 6 Cb 0.08 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2dba s SER 6 CO 0.15 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.01 2dba n GLY 7 N -0.62 1.34 3.61 7.32 0.00 -1.26 -5.17 105.19 110.41 2dba n GLY 7 Ca 0.03 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2dba n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dba s MET 8 N -2.00 0.22 -0.27 1.61 -2.45 -1.26 -5.17 119.30 109.99 2dba s MET 8 Ca 0.00 0.40 -0.12 0.00 -1.25 0.00 0.00 55.69 54.72 2dba s MET 8 Cb 0.00 0.07 0.10 0.00 1.25 0.00 0.00 34.83 36.25 2dba s MET 8 CO 0.00 -0.05 0.61 0.99 1.05 0.00 0.00 175.02 177.62 2dba s THR 9 N 1.33 -0.45 -0.01 10.11 2.01 -1.26 -5.17 115.64 122.21 2dba s THR 9 Ca -0.08 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 61.92 2dba s THR 9 Cb -0.03 -0.92 -0.00 0.00 0.01 0.00 0.00 72.50 71.56 2dba s THR 9 CO -0.13 0.01 0.06 -0.69 -0.69 0.00 0.00 174.62 173.19 2dba s VAL 10 N 2.19 0.05 -0.03 3.82 1.01 -1.26 -5.16 120.40 121.01 2dba s VAL 10 Ca -0.08 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.20 2dba s VAL 10 Cb -0.09 -0.24 0.10 0.00 0.00 0.00 0.00 36.38 36.16 2dba s VAL 10 CO -0.18 -0.23 0.88 -0.55 0.00 0.00 0.00 175.10 175.02 2dba s SER 11 N -0.72 -0.40 -0.11 3.32 0.15 -1.26 -5.19 113.70 109.50 2dba s SER 11 Ca -0.08 0.13 -0.30 0.00 0.70 0.00 0.00 55.95 56.41 2dba s SER 11 Cb -0.05 0.39 0.07 0.00 -1.71 0.00 0.00 66.02 64.72 2dba s SER 11 CO 0.00 -0.58 0.71 -0.83 1.20 0.00 0.00 173.24 173.75 2dba s GLY 12 N -2.11 -0.55 0.75 9.45 0.00 -1.26 -5.18 107.32 108.42 2dba s GLY 12 Ca 0.02 1.54 -0.13 0.00 0.00 0.00 0.00 44.72 46.16 2dba s GLY 12 CO -0.06 1.15 0.66 -1.55 0.00 0.00 0.00 173.10 173.31 2dba n PRO 13 N 1.31 -2.33 0.00 2.90 -0.04 -1.26 -5.08 135.00 130.50 2dba n PRO 13 Ca -0.17 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.22 2dba n PRO 13 Cb 0.57 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 2dba n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dba n GLY 14 N -1.95 3.43 2.70 0.55 0.00 -1.26 -5.08 105.19 103.57 2dba n GLY 14 Ca 0.09 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 2dba n GLY 14 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2dba n THR 15 N 0.00 1.89 -1.13 2.61 5.66 -1.26 -4.82 114.28 117.23 2dba n THR 15 Ca 0.00 -5.00 -0.29 0.00 -3.05 0.00 0.00 64.05 55.71 2dba n THR 15 Cb 0.00 -2.15 0.21 0.00 -1.55 0.00 0.00 70.33 66.84 2dba n THR 15 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2dba s PRO 16 N -1.87 -0.35 0.32 1.09 0.04 -1.26 -5.04 135.00 127.93 2dba s PRO 16 Ca 0.31 0.24 -0.11 0.00 0.04 0.00 0.00 61.00 61.49 2dba s PRO 16 Cb 0.04 -1.67 -0.07 0.00 0.04 0.00 0.00 34.50 32.84 2dba s PRO 16 CO -0.11 -3.19 0.67 -1.83 0.04 0.00 0.00 177.00 172.58 2dba s GLU 17 N -5.16 3.83 -0.82 4.56 -1.05 -1.26 -4.96 118.70 113.85 2dba s GLU 17 Ca 0.68 0.42 -0.25 0.00 -0.15 0.00 0.00 54.97 55.66 2dba s GLU 17 Cb -0.15 -2.50 -0.04 0.00 -0.44 0.00 0.00 34.13 31.00 2dba s GLU 17 CO 0.57 0.15 1.92 -1.25 0.95 0.00 0.00 175.26 177.60 2dba s PRO 18 N -3.27 2.58 0.23 -4.83 0.04 -1.26 -4.94 135.00 123.54 2dba s PRO 18 Ca 0.50 -0.03 0.08 0.00 0.04 0.00 0.00 61.00 61.59 2dba s PRO 18 Cb -0.11 -4.86 -0.05 0.00 0.04 0.00 0.00 34.50 29.52 2dba s PRO 18 CO 0.24 -3.19 -0.13 1.03 0.04 0.00 0.00 177.00 175.00 2dba s ARG 19 N 7.02 1.40 -0.28 4.56 0.52 -1.26 -5.10 118.95 125.81 2dba s ARG 19 Ca 0.69 -1.64 -0.29 0.00 -0.52 0.00 0.00 55.73 53.97 2dba s ARG 19 Cb -0.08 -1.16 -0.02 0.00 0.52 0.00 0.00 34.95 34.20 2dba s ARG 19 CO 0.06 0.16 1.65 -1.25 0.02 0.00 0.00 175.30 175.94 2dba s PRO 20 N -3.66 3.62 0.20 3.54 0.04 -1.26 -4.95 135.00 132.54 2dba s PRO 20 Ca 0.25 1.51 -0.02 0.00 0.04 0.00 0.00 61.00 62.77 2dba s PRO 20 Cb -0.00 -4.09 0.01 0.00 0.04 0.00 0.00 34.50 30.46 2dba s PRO 20 CO 0.08 -1.50 0.30 0.00 0.04 0.00 0.00 177.00 175.92 2dba n ALA 21 N 9.07 -0.32 -2.49 8.56 0.00 -1.26 -5.08 120.51 128.99 2dba n ALA 21 Ca 0.20 -0.86 -0.24 0.00 0.00 0.00 0.00 53.44 52.53 2dba n ALA 21 Cb 0.46 0.69 0.01 0.00 0.00 0.00 0.00 19.45 20.61 2dba n ALA 21 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2dba n THR 22 N -0.32 2.18 -1.51 0.00 5.66 -1.26 -5.08 114.28 113.95 2dba n THR 22 Ca -0.01 -4.64 -0.32 0.00 -3.05 0.00 0.00 64.05 56.03 2dba n THR 22 Cb 0.33 -0.99 0.07 0.00 -1.55 0.00 0.00 70.33 68.19 2dba n THR 22 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2dba s PRO 23 N -3.49 2.53 0.44 1.09 0.04 -1.26 -5.03 135.00 129.33 2dba s PRO 23 Ca 0.45 1.28 -0.07 0.00 0.04 0.00 0.00 61.00 62.71 2dba s PRO 23 Cb 0.41 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 33.13 2dba s PRO 23 CO -0.15 -1.44 0.23 0.41 0.04 0.00 0.00 177.00 176.09 2dba n GLY 24 N -0.86 -2.85 1.27 0.56 0.00 -1.26 -4.81 105.19 97.25 2dba n GLY 24 Ca 0.10 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.27 3.39 -0.13 4.61 0.00 -1.26 -3.87 120.51 119.97 2dba n ALA 25 Ca -0.05 -0.93 -0.19 0.00 0.00 0.00 0.00 53.44 52.27 2dba n ALA 25 Cb 0.16 -1.12 -0.12 0.00 0.00 0.00 0.00 19.45 18.38 2dba n ALA 25 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2dba n SER 26 N 0.04 1.98 -4.67 0.00 3.41 -1.26 -4.54 113.62 108.57 2dba n SER 26 Ca 0.17 -0.08 -0.49 0.00 -0.26 0.00 0.00 58.87 58.21 2dba n SER 26 Cb 0.80 -0.46 -0.05 0.00 -0.26 0.00 0.00 64.21 64.23 2dba n SER 26 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dba n SER 27 N -3.37 3.06 -0.17 4.04 7.64 -1.25 -4.78 113.62 118.79 2dba n SER 27 Ca -0.47 1.03 -0.03 0.00 1.01 0.00 0.00 58.87 60.42 2dba n SER 27 Cb 0.98 -1.35 0.04 0.00 -1.01 0.00 0.00 64.21 62.87 2dba n SER 27 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2dba h VAL 28 N 4.67 0.43 -0.84 0.44 3.04 -1.92 -0.00 116.25 122.07 2dba h VAL 28 Ca -0.47 0.00 0.21 0.00 -1.01 0.00 0.00 66.70 65.43 2dba h VAL 28 Cb 1.28 0.43 -0.14 0.00 -2.01 0.00 0.00 31.29 30.85 2dba h VAL 28 CO 0.92 0.00 0.14 -0.08 -1.01 0.00 0.00 177.57 177.54 2dba h GLU 29 N -0.02 0.16 0.00 4.17 4.81 -1.95 0.33 114.58 122.07 2dba h GLU 29 Ca 0.26 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2dba h GLU 29 Cb 0.41 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2dba h GLU 29 CO -0.56 0.10 0.00 0.94 -0.73 0.00 0.00 179.01 178.76 2dba n GLN 30 N -5.28 0.00 -0.37 1.92 -0.06 -0.15 -3.72 117.38 109.72 2dba n GLN 30 Ca 0.19 0.36 0.33 0.00 -2.00 0.00 0.00 57.00 55.88 2dba n GLN 30 Cb 0.61 -1.04 0.57 0.00 -4.06 0.00 0.00 30.24 26.32 2dba n GLN 30 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 2dba n LEU 31 N -1.59 0.22 -0.27 1.69 -0.00 -0.39 -0.04 117.00 116.62 2dba n LEU 31 Ca 0.00 1.27 0.18 0.00 -0.00 0.00 0.00 56.01 57.46 2dba n LEU 31 Cb 0.00 -0.62 0.34 0.00 -0.00 0.00 0.00 43.42 43.14 2dba n LEU 31 CO 0.00 -1.40 0.73 -1.14 -0.00 0.00 0.00 177.39 175.58 2dba n ARG 32 N -4.59 -0.06 -0.15 1.47 0.00 0.11 0.20 116.66 113.66 2dba n ARG 32 Ca 0.34 1.15 -0.06 0.00 -0.00 0.00 0.00 57.85 59.29 2dba n ARG 32 Cb 1.29 -1.94 0.03 0.00 0.00 0.00 0.00 32.46 31.85 2dba n ARG 32 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2dba h LYS 33 N 0.00 0.48 -0.91 -0.14 1.79 -0.65 -2.39 116.57 114.73 2dba h LYS 33 Ca 0.57 -0.03 0.26 0.00 -2.18 0.00 0.00 60.65 59.27 2dba h LYS 33 Cb 1.36 -0.11 -0.16 0.00 -1.58 0.00 0.00 32.23 31.74 2dba h LYS 33 CO -0.69 0.32 0.18 1.49 -1.08 0.00 0.00 179.45 179.67 2dba h GLU 34 N 0.49 0.12 0.80 3.15 4.81 0.22 0.33 114.58 124.50 2dba h GLU 34 Ca 0.19 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 2dba h GLU 34 Cb 0.07 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.43 2dba h GLU 34 CO -0.11 0.08 -0.38 0.78 -0.73 0.00 0.00 179.01 178.64 2dba h GLY 35 N 0.12 -1.12 0.54 1.92 0.00 -1.40 -2.80 103.07 100.34 2dba h GLY 35 Ca 0.58 0.42 0.01 0.00 0.00 0.00 0.00 47.33 48.34 2dba h GLY 35 CO -0.75 -0.41 -0.28 3.43 0.00 0.00 0.00 176.54 178.53 2dba h ASN 36 N -1.11 -0.80 -1.08 0.19 2.35 -1.26 -1.14 115.58 112.73 2dba h ASN 36 Ca -0.11 0.09 0.43 0.00 -0.55 0.00 0.00 56.30 56.15 2dba h ASN 36 Cb 0.82 0.30 -0.17 0.00 0.05 0.00 0.00 38.32 39.32 2dba h ASN 36 CO 0.18 -0.38 0.61 -0.33 -1.65 0.00 0.00 177.43 175.86 2dba h GLU 37 N -0.52 0.02 0.02 0.81 5.08 -0.43 1.93 114.58 121.49 2dba h GLU 37 Ca 0.02 -0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.16 2dba h GLU 37 Cb 0.53 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2dba h GLU 37 CO -0.14 0.01 -1.03 -0.07 -1.00 0.00 0.00 179.01 176.78 2dba h LEU 38 N 0.02 0.07 0.02 1.33 3.38 -1.04 -3.31 115.31 115.78 2dba h LEU 38 Ca 0.85 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.74 2dba h LEU 38 Cb 2.33 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 43.06 2dba h LEU 38 CO -0.70 1.05 -0.01 0.15 0.09 0.00 0.00 178.44 179.02 2dba h PHE 39 N 0.01 -0.03 0.00 1.13 3.04 0.41 -0.72 116.94 120.79 2dba h PHE 39 Ca -0.03 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2dba h PHE 39 Cb 1.79 0.01 0.00 0.00 2.56 0.00 0.00 35.95 40.31 2dba h PHE 39 CO 0.01 0.26 0.02 0.36 -2.02 0.00 0.00 178.31 176.94 2dba n LYS 40 N -4.97 0.01 -0.05 1.11 2.85 0.04 -0.70 118.16 116.46 2dba n LYS 40 Ca -0.08 0.50 -0.01 0.00 -1.05 0.00 0.00 58.31 57.67 2dba n LYS 40 Cb 0.17 -1.56 -0.14 0.00 -0.65 0.00 0.00 35.03 32.86 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 1.75 1.69 3.53 0.00 0.00 0.13 -5.04 105.19 107.25 2dba n GLY 42 Ca -0.18 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 2dba n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dba n ASP 43 N 0.05 0.62 0.03 1.61 -0.08 -0.87 -4.73 116.55 113.19 2dba n ASP 43 Ca 0.00 -0.63 -0.19 0.00 -1.51 0.00 0.00 54.79 52.45 2dba n ASP 43 Cb 0.00 -1.15 -0.14 0.00 2.34 0.00 0.00 41.12 42.17 2dba n ASP 43 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 2dba h TYR 44 N 13.53 0.53 -0.99 -0.67 0.05 -1.94 -2.53 116.97 124.96 2dba h TYR 44 Ca -0.05 -0.36 0.22 0.00 0.05 0.00 0.00 58.73 58.58 2dba h TYR 44 Cb 1.17 -0.03 -0.10 0.00 1.01 0.00 0.00 36.73 38.78 2dba h TYR 44 CO 1.17 1.26 0.62 0.78 -1.05 0.00 0.00 178.16 180.94 2dba h GLY 45 N -0.34 1.43 0.00 3.88 0.00 -1.94 -2.10 103.07 103.99 2dba h GLY 45 Ca -0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2dba h GLY 45 CO 0.14 -0.08 -0.22 -1.33 0.00 0.00 0.00 176.54 175.05 2dba h GLY 46 N 0.57 0.00 -0.86 4.60 0.00 -1.96 -3.28 103.07 102.15 2dba h GLY 46 Ca 0.56 0.00 0.19 0.00 0.00 0.00 0.00 47.33 48.08 2dba h GLY 46 CO -0.32 0.00 -0.16 0.00 0.00 0.00 0.00 176.54 176.06 2dba n ALA 47 N -3.07 0.26 0.19 3.60 0.00 -0.95 0.25 120.51 120.80 2dba n ALA 47 Ca -0.04 0.94 -0.14 0.00 0.00 0.00 0.00 53.44 54.19 2dba n ALA 47 Cb 0.15 -0.59 -0.07 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.64 -0.86 0.00 7.12 -1.55 -2.90 115.31 116.48 2dba h LEU 48 Ca 0.44 0.05 0.12 0.00 0.13 0.00 0.00 57.88 58.63 2dba h LEU 48 Cb 0.74 0.21 -0.14 0.00 -0.53 0.00 0.00 40.66 40.94 2dba h LEU 48 CO -0.87 -0.37 -0.43 0.00 -0.13 0.00 0.00 178.44 176.65 2dba h ALA 49 N 0.07 -0.08 -0.52 1.25 0.00 -0.26 0.17 119.26 119.89 2dba h ALA 49 Ca -0.02 0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.20 2dba h ALA 49 Cb 0.49 1.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.22 2dba h ALA 49 CO -0.02 -0.73 -0.16 0.00 0.00 0.00 0.00 179.25 178.34 2dba h ALA 50 N 1.04 0.29 -0.79 0.00 0.00 -1.27 -0.08 119.26 118.44 2dba h ALA 50 Ca 0.27 0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.47 2dba h ALA 50 Cb 0.55 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 2dba h ALA 50 CO -0.88 -0.47 0.44 1.88 0.00 0.00 0.00 179.25 180.22 2dba h TYR 51 N -0.04 0.80 -0.28 0.00 0.05 -0.53 -2.54 116.97 114.44 2dba h TYR 51 Ca 0.25 0.03 0.06 0.00 0.05 0.00 0.00 58.73 59.12 2dba h TYR 51 Cb 0.42 -0.24 -0.08 0.00 1.01 0.00 0.00 36.73 37.84 2dba h TYR 51 CO -0.47 0.33 -0.42 1.15 -1.05 0.00 0.00 178.16 177.70 2dba h THR 52 N 0.75 0.13 -0.03 -2.88 2.02 0.14 -1.93 112.91 111.12 2dba h THR 52 Ca 0.38 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.60 2dba h THR 52 Cb 0.35 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.84 2dba h THR 52 CO -0.25 0.00 -0.25 1.56 0.37 0.00 0.00 175.52 176.95 2dba h GLN 53 N -0.40 -0.36 -0.80 6.66 4.20 -1.27 -1.45 115.11 121.69 2dba h GLN 53 Ca 0.11 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.94 2dba h GLN 53 Cb 0.60 0.08 -0.12 0.00 0.30 0.00 0.00 27.48 28.34 2dba h GLN 53 CO -0.49 -0.24 -0.51 0.00 -0.67 0.00 0.00 178.83 176.92 2dba h ALA 54 N 0.47 -0.40 -0.79 3.87 0.00 -1.09 0.24 119.26 121.57 2dba h ALA 54 Ca 0.07 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2dba h ALA 54 Cb 0.47 1.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.38 2dba h ALA 54 CO -0.24 -0.88 0.48 -0.07 0.00 0.00 0.00 179.25 178.53 2dba h LEU 55 N -0.12 0.74 -0.54 0.00 3.38 -1.06 -2.50 115.31 115.22 2dba h LEU 55 Ca 0.19 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.28 2dba h LEU 55 Cb 0.51 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 2dba h LEU 55 CO -0.83 0.48 0.03 1.23 0.09 0.00 0.00 178.44 179.44 2dba h GLY 56 N 0.88 0.60 -1.94 0.83 0.00 0.53 -3.42 103.07 100.54 2dba h GLY 56 Ca 0.34 0.04 -0.52 0.00 0.00 0.00 0.00 47.33 47.19 2dba h GLY 56 CO -0.17 -0.14 0.43 1.08 0.00 0.00 0.00 176.54 177.74 2dba s LEU 57 N -10.58 3.53 -1.03 3.11 1.43 -0.63 -4.84 118.68 109.68 2dba s LEU 57 Ca -0.13 2.29 -0.25 0.00 -1.03 0.00 0.00 54.13 55.00 2dba s LEU 57 Cb 0.17 -4.59 -0.18 0.00 0.03 0.00 0.00 46.19 41.63 2dba s LEU 57 CO 0.73 -1.73 1.98 0.47 0.23 0.00 0.00 176.35 178.03 2dba n ASP 58 N -2.00 2.20 -4.87 2.29 9.92 -1.26 -4.90 116.55 117.92 2dba n ASP 58 Ca 0.13 -2.60 -0.32 0.00 -0.53 0.00 0.00 54.79 51.46 2dba n ASP 58 Cb 0.50 -1.60 -0.05 0.00 -0.64 0.00 0.00 41.12 39.33 2dba n ASP 58 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dba s ALA 59 N 12.77 3.63 0.92 2.24 0.00 -1.26 -4.65 121.76 135.41 2dba s ALA 59 Ca 0.73 -0.33 -0.10 0.00 0.00 0.00 0.00 51.96 52.26 2dba s ALA 59 Cb 0.00 -2.37 0.14 0.00 0.00 0.00 0.00 23.12 20.89 2dba s ALA 59 CO 0.17 0.54 1.06 0.25 0.00 0.00 0.00 175.76 177.78 2dba n THR 60 N 0.12 0.00 0.76 0.00 -2.24 -1.26 -4.77 114.28 106.89 2dba n THR 60 Ca -0.02 -0.02 0.07 0.00 -2.27 0.00 0.00 64.05 61.81 2dba n THR 60 Cb 0.52 -0.95 0.39 0.00 -2.10 0.00 0.00 70.33 68.19 2dba n THR 60 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2dba n PRO 61 N -3.96 0.27 -0.06 -0.78 -0.04 -1.26 -2.06 135.00 127.11 2dba n PRO 61 Ca 0.11 0.11 -0.19 0.00 -0.04 0.00 0.00 63.50 63.50 2dba n PRO 61 Cb 0.52 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.35 2dba n PRO 61 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2dba n GLN 62 N -1.22 0.70 0.09 0.54 6.02 -1.26 -4.32 117.38 117.93 2dba n GLN 62 Ca 0.08 0.20 -0.13 0.00 -0.01 0.00 0.00 57.00 57.15 2dba n GLN 62 Cb 0.10 -1.62 -0.08 0.00 1.02 0.00 0.00 30.24 29.66 2dba n GLN 62 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2dba h ASP 63 N 0.03 0.36 -0.36 1.08 5.19 -1.87 -3.33 116.42 117.53 2dba h ASP 63 Ca -0.49 -0.34 0.08 0.00 -0.62 0.00 0.00 57.03 55.66 2dba h ASP 63 Cb 1.99 -0.11 -0.09 0.00 0.18 0.00 0.00 39.33 41.30 2dba h ASP 63 CO 0.01 1.20 -0.31 1.56 -3.12 0.00 0.00 179.24 178.58 2dba h GLN 64 N 0.11 -0.25 -0.15 3.56 4.20 -1.62 -1.47 115.11 119.49 2dba h GLN 64 Ca -0.09 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.68 2dba h GLN 64 Cb 1.75 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 29.52 2dba h GLN 64 CO 0.17 -0.17 -0.44 0.00 -0.67 0.00 0.00 178.83 177.73 2dba h ALA 65 N 0.74 -0.62 -0.83 3.87 0.00 -1.75 0.21 119.26 120.89 2dba h ALA 65 Ca 0.16 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.26 2dba h ALA 65 Cb 0.53 0.82 -0.12 0.00 0.00 0.00 0.00 17.79 19.02 2dba h ALA 65 CO -0.51 -0.94 0.29 0.28 0.00 0.00 0.00 179.25 178.37 2dba h VAL 66 N -0.49 0.49 0.07 0.00 2.07 -1.53 0.18 116.25 117.04 2dba h VAL 66 Ca 0.07 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2dba h VAL 66 Cb 0.63 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2dba h VAL 66 CO -0.42 0.06 -0.03 -0.07 0.02 0.00 0.00 177.57 177.13 2dba h LEU 67 N 0.34 -0.08 0.56 2.57 3.38 -0.19 -2.72 115.31 119.17 2dba h LEU 67 Ca 0.49 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2dba h LEU 67 Cb 0.89 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2dba h LEU 67 CO -0.52 0.22 -0.50 0.45 0.09 0.00 0.00 178.44 178.18 2dba h HIS 68 N -0.39 -1.38 -1.25 1.13 3.86 0.55 0.87 115.15 118.53 2dba h HIS 68 Ca -0.01 0.01 0.36 0.00 -1.16 0.00 0.00 60.37 59.57 2dba h HIS 68 Cb 0.34 0.53 -0.08 0.00 1.06 0.00 0.00 27.41 29.25 2dba h HIS 68 CO 0.02 -0.68 0.85 0.07 0.86 0.00 0.00 177.93 179.06 2dba h ARG 69 N -1.04 0.14 0.02 2.45 0.11 -0.77 0.32 114.38 115.60 2dba h ARG 69 Ca -0.07 -0.01 -0.17 0.00 0.10 0.00 0.00 59.98 59.83 2dba h ARG 69 Cb 0.89 -0.03 0.01 0.00 1.11 0.00 0.00 29.97 31.95 2dba h ARG 69 CO -0.03 0.09 -0.68 -0.91 0.10 0.00 0.00 179.97 178.55 2dba h ASN 70 N 0.14 0.56 0.14 0.08 2.35 -0.98 -3.34 115.58 114.53 2dba h ASN 70 Ca 0.67 -0.78 0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2dba h ASN 70 Cb 2.25 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 40.41 2dba h ASN 70 CO -0.19 1.27 -0.52 0.03 -1.65 0.00 0.00 177.43 176.37 2dba h ARG 71 N -0.09 -0.73 -0.89 0.81 3.08 0.20 -1.27 114.38 115.49 2dba h ARG 71 Ca -0.09 0.05 0.36 0.00 0.07 0.00 0.00 59.98 60.37 2dba h ARG 71 Cb 1.40 0.17 -0.16 0.00 0.08 0.00 0.00 29.97 31.45 2dba h ARG 71 CO 0.13 -0.49 0.42 0.00 -1.07 0.00 0.00 179.97 178.97 2dba n ALA 72 N -2.92 0.86 0.04 0.04 0.00 -0.89 -0.05 120.51 117.59 2dba n ALA 72 Ca -0.09 0.92 -0.14 0.00 0.00 0.00 0.00 53.44 54.13 2dba n ALA 72 Cb 0.41 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 18.89 2dba n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dba h ALA 73 N 1.79 -0.81 -0.71 0.00 0.00 -1.34 0.41 119.26 118.59 2dba h ALA 73 Ca 0.73 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.74 2dba h ALA 73 Cb 1.90 0.88 -0.11 0.00 0.00 0.00 0.00 17.79 20.46 2dba h ALA 73 CO -0.71 -1.04 0.11 0.00 0.00 0.00 0.00 179.25 177.62 2dba h HIS 75 N 0.21 -1.20 -0.98 0.00 3.86 -1.18 -1.53 115.15 114.32 2dba h HIS 75 Ca 0.39 -0.02 0.33 0.00 -1.16 0.00 0.00 60.37 59.91 2dba h HIS 75 Cb 0.66 0.41 -0.18 0.00 1.06 0.00 0.00 27.41 29.37 2dba h HIS 75 CO -0.30 -0.71 0.29 -0.07 0.86 0.00 0.00 177.93 178.00 2dba h LEU 76 N -1.20 -0.04 -0.28 2.43 3.38 -0.32 0.76 115.31 120.03 2dba h LEU 76 Ca -0.11 0.26 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 2dba h LEU 76 Cb 0.94 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2dba h LEU 76 CO 0.15 -0.36 -0.09 0.11 0.09 0.00 0.00 178.44 178.35 2dba h LYS 77 N 0.04 0.56 -1.87 1.13 1.79 -1.11 -3.04 116.57 114.07 2dba h LYS 77 Ca 0.71 -0.22 -0.09 0.00 -2.18 0.00 0.00 60.65 58.86 2dba h LYS 77 Cb 1.67 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 32.25 2dba h LYS 77 CO -0.82 0.77 0.11 1.28 -1.08 0.00 0.00 179.45 179.71 2dba n LEU 78 N -4.49 5.66 -4.34 2.94 4.77 0.24 -4.77 117.00 117.01 2dba n LEU 78 Ca -0.03 -2.67 -0.36 0.00 -0.03 0.00 0.00 56.01 52.91 2dba n LEU 78 Cb 0.33 -1.12 -0.06 0.00 -2.33 0.00 0.00 43.42 40.24 2dba n LEU 78 CO 0.40 1.08 -0.21 1.21 -1.33 0.00 0.00 177.39 178.55 2dba n GLU 79 N 1.20 -1.72 -1.96 3.23 2.13 -1.01 -4.83 120.64 117.69 2dba n GLU 79 Ca 0.09 0.22 -0.23 0.00 0.66 0.00 0.00 57.16 57.90 2dba n GLU 79 Cb 0.53 -4.53 0.03 0.00 0.27 0.00 0.00 31.44 27.73 2dba n GLU 79 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2dba n ASP 80 N -2.67 4.87 -0.23 4.31 8.00 0.34 -4.82 116.55 126.36 2dba n ASP 80 Ca -0.05 -3.76 0.01 0.00 0.71 0.00 0.00 54.79 51.71 2dba n ASP 80 Cb 0.55 -0.36 0.13 0.00 -0.02 0.00 0.00 41.12 41.42 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 2.14 0.55 -0.77 1.24 -1.99 -1.81 -2.68 116.97 113.65 2dba h TYR 81 Ca 0.36 0.03 0.07 0.00 2.00 0.00 0.00 58.73 61.19 2dba h TYR 81 Cb 1.51 -0.15 -0.09 0.00 2.00 0.00 0.00 36.73 40.00 2dba h TYR 81 CO 0.86 0.18 -0.46 -0.25 -0.00 0.00 0.00 178.16 178.49 2dba n ASP 82 N -4.91 -0.82 0.09 3.88 9.92 -1.26 -0.58 116.55 122.87 2dba n ASP 82 Ca 0.11 1.40 -0.13 0.00 -0.53 0.00 0.00 54.79 55.63 2dba n ASP 82 Cb 0.28 -0.19 -0.08 0.00 -0.64 0.00 0.00 41.12 40.49 2dba n ASP 82 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2dba h LYS 83 N 0.00 -0.20 -0.52 -1.24 1.57 -1.90 -3.25 116.57 111.03 2dba h LYS 83 Ca 0.12 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.96 2dba h LYS 83 Cb 0.32 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.61 2dba h LYS 83 CO -0.73 0.03 -0.31 0.00 -0.57 0.00 0.00 179.45 177.88 2dba n ALA 84 N -2.29 -0.33 -0.34 3.86 0.00 0.25 -0.29 120.51 121.36 2dba n ALA 84 Ca -0.09 0.44 -0.09 0.00 0.00 0.00 0.00 53.44 53.70 2dba n ALA 84 Cb 0.18 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 2dba n ALA 84 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2dba n GLU 85 N -4.32 -0.36 0.08 0.00 2.13 -0.66 -0.81 120.64 116.71 2dba n GLU 85 Ca 0.01 1.35 -0.12 0.00 0.66 0.00 0.00 57.16 59.06 2dba n GLU 85 Cb 0.14 -1.99 -0.06 0.00 0.27 0.00 0.00 31.44 29.79 2dba n GLU 85 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2dba h THR 86 N 0.00 0.82 -0.78 6.31 2.02 -0.78 -2.58 112.91 117.92 2dba h THR 86 Ca 0.13 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.42 2dba h THR 86 Cb 0.34 0.82 -0.12 0.00 -1.74 0.00 0.00 68.15 67.44 2dba h THR 86 CO -0.77 0.00 -0.46 -0.33 0.37 0.00 0.00 175.52 174.33 2dba h GLU 87 N -0.18 -0.12 -0.16 6.66 4.39 0.14 -0.07 114.58 125.25 2dba h GLU 87 Ca 0.00 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.76 2dba h GLU 87 Cb 0.17 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 2dba h GLU 87 CO -0.02 -0.08 -0.16 0.00 -1.16 0.00 0.00 179.01 177.59 2dba h ALA 88 N 0.79 -0.06 -1.24 3.43 0.00 -0.87 -1.32 119.26 119.98 2dba h ALA 88 Ca 0.22 0.06 0.43 0.00 0.00 0.00 0.00 54.91 55.62 2dba h ALA 88 Cb 0.54 0.33 -0.14 0.00 0.00 0.00 0.00 17.79 18.52 2dba h ALA 88 CO -0.82 -0.60 0.78 1.03 0.00 0.00 0.00 179.25 179.63 2dba h SER 89 N -0.18 0.28 0.28 0.00 0.87 -0.61 -0.68 113.55 113.50 2dba h SER 89 Ca 0.10 0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 2dba h SER 89 Cb 0.34 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2dba h SER 89 CO -0.27 -0.23 -0.14 0.11 -0.53 0.00 0.00 176.83 175.77 2dba h LYS 90 N 0.08 -0.37 -0.36 2.24 1.57 -0.83 -2.84 116.57 116.06 2dba h LYS 90 Ca 0.83 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.74 2dba h LYS 90 Cb 2.47 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.85 2dba h LYS 90 CO -0.51 -0.25 0.89 0.00 -0.57 0.00 0.00 179.45 179.02 2dba h ALA 91 N -1.64 2.20 0.13 3.86 0.00 -1.02 0.19 119.26 122.98 2dba h ALA 91 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2dba h ALA 91 Cb 0.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2dba h ALA 91 CO 0.06 -1.08 -0.06 0.82 0.00 0.00 0.00 179.25 179.00 2dba h ILE 92 N 0.00 0.63 -0.92 0.00 2.04 -1.20 -3.33 117.51 114.73 2dba h ILE 92 Ca 0.17 -1.21 0.21 0.00 1.00 0.00 0.00 64.86 65.03 2dba h ILE 92 Cb 1.95 1.12 -0.17 0.00 -0.74 0.00 0.00 36.82 38.99 2dba h ILE 92 CO -0.00 0.19 -0.09 1.05 0.00 0.00 0.00 178.15 179.29 2dba h GLU 93 N -0.97 0.02 0.00 2.37 4.11 -0.39 0.48 114.58 120.21 2dba h GLU 93 Ca -0.02 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2dba h GLU 93 Cb 0.44 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2dba h GLU 93 CO 0.03 0.01 0.00 1.63 0.07 0.00 0.00 179.01 180.75 2dba n LYS 94 N -5.51 0.00 0.03 1.06 4.01 -1.16 -3.87 118.16 112.72 2dba n LYS 94 Ca 0.17 0.76 -0.02 0.00 -0.51 0.00 0.00 58.31 58.72 2dba n LYS 94 Cb 0.57 -1.37 -0.01 0.00 -0.51 0.00 0.00 35.03 33.71 2dba n LYS 94 CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 2dba h ASP 95 N 0.00 -0.09 0.00 4.39 1.82 -1.50 -3.49 116.42 117.55 2dba h ASP 95 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2dba h ASP 95 Cb 0.00 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.03 2dba h ASP 95 CO 0.00 -0.01 0.00 0.61 -1.61 0.00 0.00 179.24 178.23 2dba n GLY 96 N 0.74 2.24 2.59 -0.78 0.00 0.16 -4.94 105.19 105.20 2dba n GLY 96 Ca -0.01 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 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 4.95 3.16 -0.02 0.00 -1.26 -4.95 105.19 107.07 2dba n GLY 97 Ca 0.00 -2.43 -0.39 0.00 0.00 0.00 0.00 46.02 43.20 2dba n GLY 97 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dba s ASP 98 N -3.37 5.58 0.44 1.61 -4.77 -1.26 -4.92 116.67 109.97 2dba s ASP 98 Ca 0.44 -2.46 0.11 0.00 -3.30 0.00 0.00 52.55 47.34 2dba s ASP 98 Cb 0.38 -1.94 0.96 0.00 -1.09 0.00 0.00 42.92 41.23 2dba s ASP 98 CO -0.13 -0.51 2.04 -0.37 0.70 0.00 0.00 175.17 176.90 2dba h VAL 99 N 5.60 1.10 -0.76 2.11 -1.51 -1.94 -2.99 116.25 117.85 2dba h VAL 99 Ca -0.07 -0.32 0.11 0.00 -1.23 0.00 0.00 66.70 65.19 2dba h VAL 99 Cb 1.01 0.89 -0.13 0.00 -2.13 0.00 0.00 31.29 30.93 2dba h VAL 99 CO 0.76 0.12 -0.41 0.11 -1.23 0.00 0.00 177.57 176.91 2dba h LYS 100 N 0.27 -0.11 -0.36 5.19 6.56 -1.98 0.75 116.57 126.89 2dba h LYS 100 Ca 0.07 0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.65 2dba h LYS 100 Cb 0.10 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.77 2dba h LYS 100 CO -0.00 -0.07 0.15 0.00 -2.06 0.00 0.00 179.45 177.46 2dba h ALA 101 N 0.94 0.46 -0.15 3.86 0.00 -1.91 -3.16 119.26 119.31 2dba h ALA 101 Ca 0.24 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2dba h ALA 101 Cb 0.56 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2dba h ALA 101 CO -0.81 0.05 -0.54 -0.07 0.00 0.00 0.00 179.25 177.88 2dba h LEU 102 N 0.43 -1.73 -0.95 0.00 3.38 -0.94 0.18 115.31 115.68 2dba h LEU 102 Ca 0.12 0.21 0.30 0.00 0.09 0.00 0.00 57.88 58.60 2dba h LEU 102 Cb 0.16 0.67 -0.16 0.00 0.09 0.00 0.00 40.66 41.43 2dba h LEU 102 CO -0.01 -0.48 0.35 0.22 0.09 0.00 0.00 178.44 178.61 2dba h TYR 103 N -0.57 0.53 -0.23 1.13 3.20 -1.04 0.38 116.97 120.37 2dba h TYR 103 Ca 0.03 0.05 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 2dba h TYR 103 Cb 0.67 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 2dba h TYR 103 CO -0.59 -0.29 -0.25 0.00 -1.64 0.00 0.00 178.16 175.39 2dba h ARG 104 N 0.17 0.57 -0.20 1.82 3.08 -1.05 -3.23 114.38 115.54 2dba h ARG 104 Ca 0.67 -0.31 0.04 0.00 0.07 0.00 0.00 59.98 60.44 2dba h ARG 104 Cb 1.50 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 31.50 2dba h ARG 104 CO -0.71 0.90 -0.55 -0.09 -1.07 0.00 0.00 179.97 178.46 2dba h ARG 105 N 0.26 -0.52 -0.75 0.04 2.43 0.26 -1.41 114.38 114.70 2dba h ARG 105 Ca 0.03 0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.39 2dba h ARG 105 Cb 0.81 0.12 -0.14 0.00 -0.42 0.00 0.00 29.97 30.33 2dba h ARG 105 CO 0.06 -0.35 -0.17 0.66 -1.51 0.00 0.00 179.97 178.66 2dba h SER 106 N -0.54 -0.67 -0.96 -3.80 4.64 -1.48 0.32 113.55 111.06 2dba h SER 106 Ca 0.04 0.22 0.29 0.00 -0.47 0.00 0.00 61.79 61.87 2dba h SER 106 Cb 0.66 0.45 -0.15 0.00 -0.31 0.00 0.00 62.40 63.06 2dba h SER 106 CO -0.48 -0.24 0.44 1.56 -0.87 0.00 0.00 176.83 177.24 2dba h GLN 107 N 0.01 0.28 0.00 4.77 1.08 -1.27 0.69 115.11 120.67 2dba h GLN 107 Ca 0.36 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.55 2dba h GLN 107 Cb 0.56 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2dba h GLN 107 CO -0.76 0.19 -0.00 0.00 -0.95 0.00 0.00 178.83 177.30 2dba h ALA 108 N 1.82 -0.00 -0.13 3.87 0.00 -0.20 -3.16 119.26 121.45 2dba h ALA 108 Ca 0.66 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.37 2dba h ALA 108 Cb 1.44 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 2dba h ALA 108 CO -0.62 -0.25 -0.34 -0.07 0.00 0.00 0.00 179.25 177.96 2dba h LEU 109 N -0.51 -1.06 -0.89 0.00 3.38 -0.32 -0.99 115.31 114.92 2dba h LEU 109 Ca -0.00 0.15 0.24 0.00 0.09 0.00 0.00 57.88 58.36 2dba h LEU 109 Cb 0.50 0.45 -0.14 0.00 0.09 0.00 0.00 40.66 41.56 2dba h LEU 109 CO 0.00 -0.37 0.28 -0.33 0.09 0.00 0.00 178.44 178.11 2dba h GLU 110 N -0.42 0.23 -0.33 1.13 5.08 -1.13 0.77 114.58 119.90 2dba h GLU 110 Ca 0.09 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 2dba h GLU 110 Cb 0.57 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2dba h GLU 110 CO -0.36 0.15 -0.04 0.87 -1.00 0.00 0.00 179.01 178.63 2dba h LYS 111 N 0.23 0.53 -0.96 2.33 1.79 -1.18 -2.17 116.57 117.14 2dba h LYS 111 Ca 0.57 -0.13 -0.15 0.00 -2.18 0.00 0.00 60.65 58.77 2dba h LYS 111 Cb 1.17 -0.07 -0.09 0.00 -1.58 0.00 0.00 32.23 31.66 2dba h LYS 111 CO -0.64 0.58 0.19 1.28 -1.08 0.00 0.00 179.45 179.78 2dba n LEU 112 N -4.25 4.03 -2.85 2.94 4.77 0.25 -4.83 117.00 117.06 2dba n LEU 112 Ca 0.01 -2.09 -0.20 0.00 -0.03 0.00 0.00 56.01 53.70 2dba n LEU 112 Cb 0.27 -0.62 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 2dba n LEU 112 CO 0.39 0.63 -0.10 0.61 -1.33 0.00 0.00 177.39 177.60 2dba n GLY 113 N -0.04 -0.51 2.48 -0.72 0.00 -0.82 -4.88 105.19 100.71 2dba n GLY 113 Ca 0.20 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 2dba n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dba n ARG 114 N -3.50 3.26 -0.36 1.61 1.74 -0.22 -4.79 116.66 114.39 2dba n ARG 114 Ca -0.12 -4.13 0.00 0.00 -0.77 0.00 0.00 57.85 52.83 2dba n ARG 114 Cb 0.61 -2.26 0.15 0.00 -1.02 0.00 0.00 32.46 29.94 2dba n ARG 114 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2dba h LEU 115 N 2.55 1.08 -1.03 0.55 3.38 -1.82 0.03 115.31 120.05 2dba h LEU 115 Ca 0.40 -0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.51 2dba h LEU 115 Cb 0.83 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 2dba h LEU 115 CO 1.02 0.74 0.62 0.44 0.09 0.00 0.00 178.44 181.35 2dba h ASP 116 N 1.25 0.85 0.20 -0.43 3.32 -1.97 -2.00 116.42 117.65 2dba h ASP 116 Ca 0.40 0.07 -0.30 0.00 0.02 0.00 0.00 57.03 57.22 2dba h ASP 116 Cb 0.01 -0.09 0.03 0.00 0.22 0.00 0.00 39.33 39.49 2dba h ASP 116 CO -0.12 0.39 -1.35 1.56 -1.72 0.00 0.00 179.24 178.00 2dba h GLN 117 N 0.88 0.43 -0.80 3.56 7.50 -1.73 -3.34 115.11 121.60 2dba h GLN 117 Ca 0.53 -0.74 0.19 0.00 0.50 0.00 0.00 58.65 59.13 2dba h GLN 117 Cb 0.69 0.28 -0.14 0.00 0.05 0.00 0.00 27.48 28.35 2dba h GLN 117 CO -0.31 1.35 -0.01 0.00 -1.50 0.00 0.00 178.83 178.37 2dba h ALA 118 N 0.11 0.83 0.10 3.87 0.00 -0.31 -0.17 119.26 123.69 2dba h ALA 118 Ca -0.25 0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2dba h ALA 118 Cb 1.99 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 20.21 2dba h ALA 118 CO 0.21 -0.44 -0.23 0.28 0.00 0.00 0.00 179.25 179.07 2dba h VAL 119 N 0.08 0.49 -0.52 0.00 2.07 -1.56 -0.42 116.25 116.39 2dba h VAL 119 Ca 0.44 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.06 2dba h VAL 119 Cb 0.80 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 30.98 2dba h VAL 119 CO -0.72 0.00 0.06 -0.07 0.02 0.00 0.00 177.57 176.86 2dba h LEU 120 N -0.41 -0.10 -0.43 2.57 3.38 -1.20 0.21 115.31 119.33 2dba h LEU 120 Ca 0.03 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.13 2dba h LEU 120 Cb 0.44 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2dba h LEU 120 CO -0.14 -0.02 0.25 0.44 0.09 0.00 0.00 178.44 179.06 2dba h ASP 121 N 0.18 0.41 -0.26 -0.43 3.32 -0.83 -2.81 116.42 116.00 2dba h ASP 121 Ca 0.27 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 2dba h ASP 121 Cb 0.39 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2dba h ASP 121 CO -0.39 0.30 0.12 -0.07 -1.72 0.00 0.00 179.24 177.48 2dba h LEU 122 N 0.51 0.35 -0.81 1.55 3.38 -0.05 -3.00 115.31 117.24 2dba h LEU 122 Ca 0.17 -0.14 0.19 0.00 0.09 0.00 0.00 57.88 58.19 2dba h LEU 122 Cb 0.01 -0.09 -0.15 0.00 0.09 0.00 0.00 40.66 40.51 2dba h LEU 122 CO -0.08 0.39 -0.10 0.00 0.09 0.00 0.00 178.44 178.75 2dba n GLN 123 N -4.80 -0.07 -0.10 1.13 6.02 0.65 0.14 117.38 120.35 2dba n GLN 123 Ca -0.03 1.25 -0.06 0.00 -0.01 0.00 0.00 57.00 58.15 2dba n GLN 123 Cb 0.11 -1.92 0.02 0.00 1.02 0.00 0.00 30.24 29.47 2dba n GLN 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dba h ARG 124 N 0.00 0.22 -0.86 -1.09 3.08 -1.54 -2.42 114.38 111.76 2dba h ARG 124 Ca 0.44 -0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.64 2dba h ARG 124 Cb 0.80 -0.05 -0.16 0.00 0.08 0.00 0.00 29.97 30.64 2dba h ARG 124 CO -0.80 0.14 -0.27 0.00 -1.07 0.00 0.00 179.97 177.97 2dba h VAL 126 N -0.02 1.22 0.72 0.00 2.07 -1.34 0.26 116.25 119.16 2dba h VAL 126 Ca 0.38 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 2dba h VAL 126 Cb 0.62 1.15 0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2dba h VAL 126 CO -0.89 0.31 -0.35 -1.28 0.02 0.00 0.00 177.57 175.38 2dba h SER 127 N 0.41 -0.82 0.01 0.57 0.87 0.10 -2.83 113.55 111.86 2dba h SER 127 Ca 0.08 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 2dba h SER 127 Cb 0.45 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 2dba h SER 127 CO 0.03 -0.45 -0.20 -0.07 -0.53 0.00 0.00 176.83 175.61 2dba h LEU 128 N -1.25 0.33 -7.35 2.23 3.38 -0.76 -3.36 115.31 108.52 2dba h LEU 128 Ca -0.10 -0.09 -0.63 0.00 0.09 0.00 0.00 57.88 57.15 2dba h LEU 128 Cb 0.74 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 41.00 2dba h LEU 128 CO 0.16 0.54 -0.69 -1.61 0.09 0.00 0.00 178.44 176.93 2dba s GLU 129 N -4.59 1.55 0.06 1.13 0.41 0.93 -4.97 118.70 113.22 2dba s GLU 129 Ca -0.06 -2.12 -0.19 0.00 -0.41 0.00 0.00 54.97 52.20 2dba s GLU 129 Cb 0.15 -2.93 -0.13 0.00 -1.78 0.00 0.00 34.13 29.44 2dba s GLU 129 CO 0.76 -1.06 1.37 -1.00 -0.49 0.00 0.00 175.26 174.84 2dba h PRO 130 N 7.02 0.46 0.93 0.39 0.13 -1.67 -3.33 132.00 135.94 2dba h PRO 130 Ca -0.06 -0.24 -0.04 0.00 -0.87 0.00 0.00 66.00 64.78 2dba h PRO 130 Cb 0.95 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.09 2dba h PRO 130 CO 0.57 0.81 -0.48 0.87 -0.23 0.00 0.00 178.00 179.55 2dba h LYS 131 N 0.13 -1.25 -4.02 0.86 1.57 -1.93 -3.43 116.57 108.50 2dba h LYS 131 Ca 0.03 0.08 -0.56 0.00 -1.87 0.00 0.00 60.65 58.33 2dba h LYS 131 Cb 0.73 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2dba h LYS 131 CO 0.05 -0.83 0.61 -1.71 -0.57 0.00 0.00 179.45 177.00 2dba n ASN 132 N -5.65 0.70 -0.09 0.86 2.85 -1.25 -4.83 115.26 107.85 2dba n ASN 132 Ca -0.16 0.67 -0.23 0.00 -0.11 0.00 0.00 54.58 54.75 2dba n ASN 132 Cb 0.52 -0.59 -0.12 0.00 1.24 0.00 0.00 39.78 40.82 2dba n ASN 132 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2dba n LYS 133 N 3.52 0.62 -0.51 1.20 4.01 -1.26 -4.20 118.16 121.55 2dba n LYS 133 Ca 0.27 0.43 0.39 0.00 -0.51 0.00 0.00 58.31 58.89 2dba n LYS 133 Cb -0.04 -1.69 0.61 0.00 -0.51 0.00 0.00 35.03 33.41 2dba n LYS 133 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 2dba n VAL 134 N -4.12 -0.04 -0.00 -0.18 0.24 -1.26 0.18 118.33 113.14 2dba n VAL 134 Ca -0.36 1.20 -0.13 0.00 -2.04 0.00 0.00 64.34 63.01 2dba n VAL 134 Cb 0.82 -1.99 -0.10 0.00 -1.47 0.00 0.00 33.84 31.10 2dba n VAL 134 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 2dba h PHE 135 N 0.00 -0.07 -0.52 6.34 0.04 -1.96 -2.23 116.94 118.54 2dba h PHE 135 Ca 0.71 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 61.58 2dba h PHE 135 Cb 2.75 0.02 -0.08 0.00 2.20 0.00 0.00 35.95 40.84 2dba h PHE 135 CO -0.00 0.50 0.08 1.96 -0.60 0.00 0.00 178.31 180.24 2dba h GLN 136 N -0.69 0.20 -0.08 1.51 4.20 0.16 0.63 115.11 121.04 2dba h GLN 136 Ca -0.01 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 2dba h GLN 136 Cb 0.59 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 2dba h GLN 136 CO 0.01 0.13 -0.26 1.05 -0.67 0.00 0.00 178.83 179.09 2dba h GLU 137 N 0.20 0.14 -0.02 1.46 4.11 -1.49 -3.04 114.58 115.94 2dba h GLU 137 Ca 0.27 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.65 2dba h GLU 137 Cb 0.39 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2dba h GLU 137 CO -0.37 0.39 -0.01 0.00 0.07 0.00 0.00 179.01 179.09 2dba h ALA 138 N 1.61 0.03 -0.21 1.06 0.00 -0.32 -0.33 119.26 121.10 2dba h ALA 138 Ca 0.02 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.77 2dba h ALA 138 Cb 0.53 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 2dba h ALA 138 CO 0.04 -0.26 -0.45 1.25 0.00 0.00 0.00 179.25 179.83 2dba h LEU 139 N -0.35 -1.44 -1.14 0.00 7.12 -0.90 -0.53 115.31 118.07 2dba h LEU 139 Ca 0.00 0.19 -0.07 0.00 0.13 0.00 0.00 57.88 58.14 2dba h LEU 139 Cb 0.42 0.59 -0.02 0.00 -0.53 0.00 0.00 40.66 41.12 2dba h LEU 139 CO 0.00 -0.42 -0.10 0.03 -0.13 0.00 0.00 178.44 177.82 2dba h ARG 140 N -0.47 0.48 -0.85 1.25 3.08 -1.60 0.45 114.38 116.72 2dba h ARG 140 Ca 0.08 -0.13 0.10 0.00 0.07 0.00 0.00 59.98 60.11 2dba h ARG 140 Cb 0.63 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.56 2dba h ARG 140 CO -0.45 0.59 0.55 -0.97 -1.07 0.00 0.00 179.97 178.62 2dba h ASN 141 N 0.45 0.72 0.16 7.04 -1.24 0.46 0.29 115.58 123.46 2dba h ASN 141 Ca 0.09 0.02 -0.35 0.00 0.71 0.00 0.00 56.30 56.77 2dba h ASN 141 Cb 0.46 -0.13 -0.06 0.00 0.73 0.00 0.00 38.32 39.32 2dba h ASN 141 CO 0.03 0.42 -2.17 2.30 -1.29 0.00 0.00 177.43 176.71 2dba n ILE 142 N -4.52 1.47 -0.04 2.57 -5.35 -0.49 -4.30 119.36 108.70 2dba n ILE 142 Ca 0.15 -0.82 -0.05 0.00 -0.27 0.00 0.00 62.75 61.75 2dba n ILE 142 Cb 0.34 -0.71 0.15 0.00 -1.74 0.00 0.00 39.64 37.68 2dba n ILE 142 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2dba h SER 143 N 0.00 0.63 -3.88 7.28 0.87 0.27 -3.44 113.55 115.29 2dba h SER 143 Ca -0.47 -0.22 -0.47 0.00 -1.23 0.00 0.00 61.79 59.41 2dba h SER 143 Cb 2.16 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 63.92 2dba h SER 143 CO 0.04 0.85 0.29 -0.83 -0.53 0.00 0.00 176.83 176.65 2dba s GLY 144 N -3.92 2.61 -0.61 5.77 0.00 0.10 -4.97 107.32 106.29 2dba s GLY 144 Ca -0.08 0.39 -0.26 0.00 0.00 0.00 0.00 44.72 44.77 2dba s GLY 144 CO 0.81 0.75 1.86 2.56 0.00 0.00 0.00 173.10 179.09 2dba s PRO 145 N -2.45 2.62 0.28 2.90 0.04 -1.26 -4.86 135.00 132.27 2dba s PRO 145 Ca 0.53 0.61 -0.01 0.00 0.04 0.00 0.00 61.00 62.17 2dba s PRO 145 Cb -0.15 -4.39 0.63 0.00 0.04 0.00 0.00 34.50 30.63 2dba s PRO 145 CO 0.20 -2.74 1.64 0.77 0.04 0.00 0.00 177.00 176.91 2dba h SER 146 N 14.98 -0.14 -0.08 6.66 0.02 -1.91 0.40 113.55 133.48 2dba h SER 146 Ca -0.26 0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2dba h SER 146 Cb 1.16 0.31 -0.00 0.00 0.14 0.00 0.00 62.40 64.01 2dba h SER 146 CO 1.22 -0.18 0.02 0.28 -1.14 0.00 0.00 176.83 177.03 2dba h SER 147 N 0.16 0.13 0.00 3.07 0.02 -2.01 -3.55 113.55 111.37 2dba h SER 147 Ca 0.51 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2dba h SER 147 Cb 1.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2dba h SER 147 CO -0.68 0.34 0.00 0.61 -1.14 0.00 0.00 176.83 175.95