#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 2.27 -0.86 1.61 1.04 -1.26 -5.08 113.70 111.41 2dba s SER 2 Ca 0.00 -0.38 -0.19 0.00 0.48 0.00 0.00 55.95 55.86 2dba s SER 2 Cb 0.00 -0.75 0.13 0.00 0.10 0.00 0.00 66.02 65.49 2dba s SER 2 CO 0.00 -0.17 1.05 -0.44 0.98 0.00 0.00 173.24 174.67 2dba s SER 3 N 1.76 6.54 0.07 7.02 0.01 -1.26 -4.96 113.70 122.89 2dba s SER 3 Ca 0.03 -1.90 -0.00 0.00 1.31 0.00 0.00 55.95 55.39 2dba s SER 3 Cb -0.13 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2dba s SER 3 CO -0.07 -1.09 0.10 0.61 0.41 0.00 0.00 173.24 173.20 2dba n GLY 4 N 5.36 2.91 3.66 3.44 0.00 -1.26 -5.16 105.19 114.13 2dba n GLY 4 Ca 0.17 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.42 2.76 0.15 1.61 1.04 -1.26 -5.07 113.70 111.51 2dba s SER 5 Ca 0.06 1.52 -0.20 0.00 0.48 0.00 0.00 55.95 57.81 2dba s SER 5 Cb -0.00 -2.19 0.05 0.00 0.10 0.00 0.00 66.02 63.98 2dba s SER 5 CO 0.04 -3.09 0.52 -0.94 0.98 0.00 0.00 173.24 170.74 2dba s SER 6 N -3.16 -0.40 -0.52 7.02 1.04 -1.26 -5.10 113.70 111.33 2dba s SER 6 Ca 0.65 -0.19 -0.37 0.00 0.48 0.00 0.00 55.95 56.52 2dba s SER 6 Cb -0.20 0.55 -0.16 0.00 0.10 0.00 0.00 66.02 66.32 2dba s SER 6 CO 0.59 -0.94 2.27 0.61 0.98 0.00 0.00 173.24 176.75 2dba n GLY 7 N -0.32 0.08 0.06 7.32 0.00 -1.26 -4.82 105.19 106.25 2dba n GLY 7 Ca -0.16 1.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.80 2dba n GLY 7 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2dba h MET 8 N 11.62 0.00 -3.59 1.61 4.05 -2.04 -3.49 114.93 123.09 2dba h MET 8 Ca -0.17 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.19 2dba h MET 8 Cb 1.35 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 32.07 2dba h MET 8 CO 1.12 0.54 -0.07 0.95 0.23 0.00 0.00 176.91 179.68 2dba s THR 9 N -1.95 0.00 0.10 -0.77 -4.23 -1.26 -5.17 115.64 102.37 2dba s THR 9 Ca -0.11 -1.36 -0.10 0.00 -1.18 0.00 0.00 61.69 58.94 2dba s THR 9 Cb -0.01 -2.27 -0.06 0.00 1.34 0.00 0.00 72.50 71.50 2dba s THR 9 CO 0.38 0.00 0.42 0.54 -0.54 0.00 0.00 174.62 175.41 2dba s VAL 10 N -3.82 5.07 0.32 2.29 0.11 -1.26 -5.10 120.40 118.02 2dba s VAL 10 Ca 0.22 0.44 0.09 0.00 -2.93 0.00 0.00 61.98 59.79 2dba s VAL 10 Cb -0.01 -3.65 -0.05 0.00 -1.53 0.00 0.00 36.38 31.14 2dba s VAL 10 CO 0.10 0.24 0.06 -0.44 -3.33 0.00 0.00 175.10 171.73 2dba s SER 11 N -1.86 4.47 0.00 3.54 0.01 -1.26 -5.08 113.70 113.52 2dba s SER 11 Ca 0.35 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.79 2dba s SER 11 Cb -0.14 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.41 2dba s SER 11 CO 0.19 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2dba n GLY 12 N -1.02 1.12 0.23 3.44 0.00 -1.26 -4.74 105.19 102.96 2dba n GLY 12 Ca -0.04 -2.06 -0.08 0.00 0.00 0.00 0.00 46.02 43.83 2dba n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dba h PRO 13 N 0.00 0.60 -2.19 1.61 0.13 -2.09 -3.48 132.00 126.58 2dba h PRO 13 Ca 0.00 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2dba h PRO 13 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2dba h PRO 13 CO 0.00 0.91 0.00 0.41 -0.23 0.00 0.00 178.00 179.09 2dba n GLY 14 N 0.03 0.16 2.65 1.56 0.00 -1.26 -5.07 105.19 103.26 2dba n GLY 14 Ca -0.02 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 2dba n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dba s THR 15 N -2.73 1.64 1.07 2.61 2.01 -1.26 -5.12 115.64 113.87 2dba s THR 15 Ca 0.00 -3.48 -0.18 0.00 0.31 0.00 0.00 61.69 58.34 2dba s THR 15 Cb 0.00 -2.09 0.27 0.00 0.01 0.00 0.00 72.50 70.68 2dba s THR 15 CO 0.00 -1.12 0.96 -0.81 -0.69 0.00 0.00 174.62 172.96 2dba n PRO 16 N 2.40 -2.88 -1.62 4.92 -0.04 -1.26 -4.99 135.00 131.54 2dba n PRO 16 Ca 0.25 -1.53 -0.36 0.00 -0.04 0.00 0.00 63.50 61.82 2dba n PRO 16 Cb 0.41 -1.43 0.08 0.00 -0.04 0.00 0.00 33.50 32.52 2dba n PRO 16 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2dba s GLU 17 N -5.17 2.39 -0.53 0.54 8.01 -1.26 -4.88 118.70 117.79 2dba s GLU 17 Ca 0.62 1.93 -0.27 0.00 0.01 0.00 0.00 54.97 57.26 2dba s GLU 17 Cb -0.06 -1.84 -0.02 0.00 -4.31 0.00 0.00 34.13 27.90 2dba s GLU 17 CO 0.48 -1.69 1.81 -1.25 0.01 0.00 0.00 175.26 174.62 2dba s PRO 18 N -3.59 2.87 0.16 0.39 0.04 -1.26 -4.98 135.00 128.63 2dba s PRO 18 Ca 0.79 0.83 0.06 0.00 0.04 0.00 0.00 61.00 62.72 2dba s PRO 18 Cb -0.34 -4.32 -0.04 0.00 0.04 0.00 0.00 34.50 29.85 2dba s PRO 18 CO 0.42 -2.44 0.05 1.03 0.04 0.00 0.00 177.00 176.10 2dba s ARG 19 N 6.56 2.62 1.19 4.56 0.52 -1.26 -5.13 118.95 128.00 2dba s ARG 19 Ca 0.70 -0.99 -0.20 0.00 -0.52 0.00 0.00 55.73 54.72 2dba s ARG 19 Cb -0.15 -2.49 0.30 0.00 0.52 0.00 0.00 34.95 33.13 2dba s ARG 19 CO 0.25 0.47 1.06 -0.35 0.02 0.00 0.00 175.30 176.74 2dba n PRO 20 N -0.17 -3.09 -0.96 3.54 -0.04 -1.26 -5.01 135.00 128.02 2dba n PRO 20 Ca -0.09 -1.69 -0.31 0.00 -0.04 0.00 0.00 63.50 61.37 2dba n PRO 20 Cb 0.55 -1.59 0.13 0.00 -0.04 0.00 0.00 33.50 32.55 2dba n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dba s ALA 21 N -3.01 1.81 -0.28 0.55 0.00 -1.26 -5.06 121.76 114.51 2dba s ALA 21 Ca 0.69 0.43 -0.26 0.00 0.00 0.00 0.00 51.96 52.82 2dba s ALA 21 Cb -0.07 -3.36 0.16 0.00 0.00 0.00 0.00 23.12 19.85 2dba s ALA 21 CO 0.53 -2.32 1.23 -0.08 0.00 0.00 0.00 175.76 175.12 2dba s THR 22 N -2.77 0.00 -0.42 0.00 -1.32 -1.26 -5.12 115.64 104.75 2dba s THR 22 Ca 0.64 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.84 2dba s THR 22 Cb -0.20 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.77 2dba s THR 22 CO 0.57 0.00 1.75 -2.16 -2.21 0.00 0.00 174.62 172.57 2dba s PRO 23 N -0.08 3.18 0.90 7.08 0.04 -1.26 -4.98 135.00 139.87 2dba s PRO 23 Ca 0.05 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.09 2dba s PRO 23 Cb -0.04 -4.22 0.13 0.00 0.04 0.00 0.00 34.50 30.41 2dba s PRO 23 CO -0.10 -2.06 1.10 0.20 0.04 0.00 0.00 177.00 176.19 2dba s GLY 24 N 6.29 1.65 -0.68 0.56 0.00 -1.26 -4.96 107.32 108.92 2dba s GLY 24 Ca 0.73 0.28 0.01 0.00 0.00 0.00 0.00 44.72 45.73 2dba s GLY 24 CO 0.30 0.72 1.67 0.00 0.00 0.00 0.00 173.10 175.79 2dba n ALA 25 N -4.03 5.94 -0.09 3.20 0.00 -1.26 -4.68 120.51 119.59 2dba n ALA 25 Ca 0.09 -4.18 -0.17 0.00 0.00 0.00 0.00 53.44 49.17 2dba n ALA 25 Cb 0.53 -1.41 -0.09 0.00 0.00 0.00 0.00 19.45 18.48 2dba n ALA 25 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dba h SER 26 N 2.81 0.00 -1.23 0.00 0.87 -1.97 -3.37 113.55 110.65 2dba h SER 26 Ca 0.46 -0.40 -0.81 0.00 -1.23 0.00 0.00 61.79 59.81 2dba h SER 26 Cb 0.40 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2dba h SER 26 CO 1.21 1.29 0.73 -1.20 -0.53 0.00 0.00 176.83 178.32 2dba n SER 27 N -4.49 1.60 -0.28 6.23 7.64 -1.26 -4.61 113.62 118.45 2dba n SER 27 Ca -0.25 1.14 0.08 0.00 1.01 0.00 0.00 58.87 60.85 2dba n SER 27 Cb 0.57 -0.99 0.23 0.00 -1.01 0.00 0.00 64.21 63.01 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 4.91 0.55 -0.16 0.44 3.04 -1.90 0.60 116.25 123.73 2dba h VAL 28 Ca -0.45 -0.13 0.05 0.00 -1.01 0.00 0.00 66.70 65.15 2dba h VAL 28 Cb 1.35 0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.75 2dba h VAL 28 CO 0.95 0.07 0.19 -0.08 -1.01 0.00 0.00 177.57 177.68 2dba h GLU 29 N 0.39 0.00 0.00 4.17 4.57 -1.97 -0.28 114.58 121.45 2dba h GLU 29 Ca 0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.65 2dba h GLU 29 Cb 0.81 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 2dba h GLU 29 CO -0.48 0.00 -0.18 0.94 -1.18 0.00 0.00 179.01 178.11 2dba n GLN 30 N -3.79 0.15 -0.17 1.92 7.27 0.19 -4.26 117.38 118.69 2dba n GLN 30 Ca 0.01 0.31 0.29 0.00 0.07 0.00 0.00 57.00 57.68 2dba n GLN 30 Cb 0.30 -1.03 0.63 0.00 2.41 0.00 0.00 30.24 32.55 2dba n GLN 30 CO 0.00 0.00 0.00 1.37 0.07 0.00 0.00 177.06 178.50 2dba h LEU 31 N -0.33 0.00 -1.04 1.69 8.10 -0.99 -0.76 115.31 121.98 2dba h LEU 31 Ca 0.00 0.00 0.42 0.00 0.11 0.00 0.00 57.88 58.41 2dba h LEU 31 Cb 0.18 0.00 -0.17 0.00 -0.44 0.00 0.00 40.66 40.23 2dba h LEU 31 CO 0.00 0.00 0.59 -1.14 -4.11 0.00 0.00 178.44 173.78 2dba n ARG 32 N -3.60 -0.05 -0.13 0.17 0.63 -0.12 0.22 116.66 113.77 2dba n ARG 32 Ca 0.20 1.33 -0.09 0.00 -0.92 0.00 0.00 57.85 58.37 2dba n ARG 32 Cb 1.23 -2.42 0.04 0.00 0.45 0.00 0.00 32.46 31.76 2dba n ARG 32 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2dba h LYS 33 N 0.00 0.91 -0.70 -0.14 1.79 -1.40 -3.07 116.57 113.97 2dba h LYS 33 Ca 0.84 -0.37 0.15 0.00 -2.18 0.00 0.00 60.65 59.09 2dba h LYS 33 Cb 2.30 -0.04 -0.12 0.00 -1.58 0.00 0.00 32.23 32.78 2dba h LYS 33 CO -0.70 1.02 -0.04 1.49 -1.08 0.00 0.00 179.45 180.14 2dba h GLU 34 N 0.80 0.08 0.61 3.15 4.57 0.25 0.86 114.58 124.90 2dba h GLU 34 Ca 0.11 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 2dba h GLU 34 Cb 0.74 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.32 2dba h GLU 34 CO 0.06 0.05 -0.29 0.78 -1.18 0.00 0.00 179.01 178.43 2dba h GLY 35 N 0.08 -0.86 -0.10 1.92 0.00 -1.47 -3.03 103.07 99.61 2dba h GLY 35 Ca 0.37 0.32 0.02 0.00 0.00 0.00 0.00 47.33 48.04 2dba h GLY 35 CO -0.63 -0.31 -0.41 3.43 0.00 0.00 0.00 176.54 178.61 2dba h ASN 36 N -1.09 -1.31 -1.13 0.19 2.35 -1.35 0.40 115.58 113.65 2dba h ASN 36 Ca -0.08 0.16 0.44 0.00 -0.55 0.00 0.00 56.30 56.26 2dba h ASN 36 Cb 0.68 0.51 -0.17 0.00 0.05 0.00 0.00 38.32 39.39 2dba h ASN 36 CO 0.14 -0.37 0.65 -0.33 -1.65 0.00 0.00 177.43 175.88 2dba h GLU 37 N -0.44 0.00 -0.12 0.81 5.08 -0.94 1.61 114.58 120.58 2dba h GLU 37 Ca 0.02 -0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.17 2dba h GLU 37 Cb 0.51 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2dba h GLU 37 CO -0.33 0.00 -0.76 -0.07 -1.00 0.00 0.00 179.01 176.84 2dba h LEU 38 N 0.00 0.78 0.17 1.33 3.38 -0.86 -2.66 115.31 117.44 2dba h LEU 38 Ca 0.86 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 2dba h LEU 38 Cb 2.45 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.97 2dba h LEU 38 CO -0.67 1.29 -0.08 0.15 0.09 0.00 0.00 178.44 179.21 2dba h PHE 39 N 0.44 -0.21 0.00 1.13 3.57 0.38 0.32 116.94 122.57 2dba h PHE 39 Ca -0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2dba h PHE 39 Cb 1.37 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.19 2dba h PHE 39 CO 0.07 0.17 0.00 0.36 -2.23 0.00 0.00 178.31 176.68 2dba n LYS 40 N -5.01 0.24 -0.00 1.11 2.85 0.70 -1.33 118.16 116.72 2dba n LYS 40 Ca -0.09 0.11 0.05 0.00 -1.05 0.00 0.00 58.31 57.33 2dba n LYS 40 Cb 0.25 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.06 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 1.31 2.43 3.55 0.00 0.00 -0.43 -5.02 105.19 107.03 2dba n GLY 42 Ca 0.02 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 0.11 2.02 -0.07 1.61 9.92 0.99 -4.76 116.55 126.37 2dba n ASP 43 Ca 0.00 -0.70 -0.20 0.00 -0.53 0.00 0.00 54.79 53.36 2dba n ASP 43 Cb 0.00 -1.55 -0.12 0.00 -0.64 0.00 0.00 41.12 38.81 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 17.53 0.09 -1.15 1.24 0.05 -1.92 -2.92 116.97 129.89 2dba h TYR 44 Ca -0.17 -0.07 0.33 0.00 0.05 0.00 0.00 58.73 58.87 2dba h TYR 44 Cb 1.21 -0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.85 2dba h TYR 44 CO 1.02 1.38 0.75 0.78 -1.05 0.00 0.00 178.16 181.04 2dba h GLY 45 N -0.76 1.08 0.00 3.88 0.00 -1.95 -2.19 103.07 103.13 2dba h GLY 45 Ca -0.25 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 2dba h GLY 45 CO -0.10 -0.19 -0.57 -1.33 0.00 0.00 0.00 176.54 174.34 2dba h GLY 46 N 0.25 0.00 -0.87 4.60 0.00 -1.96 -3.32 103.07 101.77 2dba h GLY 46 Ca 0.66 0.00 0.16 0.00 0.00 0.00 0.00 47.33 48.15 2dba h GLY 46 CO -0.29 0.00 -0.25 0.00 0.00 0.00 0.00 176.54 176.00 2dba n ALA 47 N -3.25 0.13 0.04 3.60 0.00 -0.97 0.47 120.51 120.54 2dba n ALA 47 Ca -0.14 0.93 -0.11 0.00 0.00 0.00 0.00 53.44 54.13 2dba n ALA 47 Cb 0.38 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.26 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 -0.42 -0.33 0.00 7.12 -1.59 -1.37 115.31 118.71 2dba h LEU 48 Ca 0.39 0.07 0.07 0.00 0.13 0.00 0.00 57.88 58.54 2dba h LEU 48 Cb 0.61 0.18 -0.08 0.00 -0.53 0.00 0.00 40.66 40.84 2dba h LEU 48 CO -0.89 -0.19 -0.19 0.00 -0.13 0.00 0.00 178.44 177.04 2dba h ALA 49 N 0.76 0.04 -0.38 1.25 0.00 -0.08 -0.86 119.26 119.99 2dba h ALA 49 Ca 0.06 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.15 2dba h ALA 49 Cb 0.30 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2dba h ALA 49 CO -0.16 -0.58 0.08 0.00 0.00 0.00 0.00 179.25 178.58 2dba h ALA 50 N 1.06 0.41 -0.76 0.00 0.00 -0.91 -1.96 119.26 117.11 2dba h ALA 50 Ca 0.17 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.23 2dba h ALA 50 Cb 0.41 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 2dba h ALA 50 CO -0.42 -0.32 0.43 1.88 0.00 0.00 0.00 179.25 180.82 2dba h TYR 51 N 0.21 0.79 -0.75 0.00 0.05 -0.38 -1.80 116.97 115.08 2dba h TYR 51 Ca 0.18 0.03 0.11 0.00 0.05 0.00 0.00 58.73 59.10 2dba h TYR 51 Cb 0.22 -0.24 -0.08 0.00 1.01 0.00 0.00 36.73 37.63 2dba h TYR 51 CO -0.19 0.35 0.37 1.15 -1.05 0.00 0.00 178.16 178.79 2dba h THR 52 N 0.76 0.81 -0.13 -2.88 2.02 -0.41 -2.10 112.91 110.98 2dba h THR 52 Ca 0.36 -0.21 0.04 0.00 0.77 0.00 0.00 66.41 67.37 2dba h THR 52 Cb 0.27 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 2dba h THR 52 CO -0.22 0.11 -0.13 1.56 0.37 0.00 0.00 175.52 177.21 2dba h GLN 53 N 0.61 -0.15 -0.09 6.66 4.20 -1.06 -1.33 115.11 123.94 2dba h GLN 53 Ca 0.38 0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.12 2dba h GLN 53 Cb 0.45 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 2dba h GLN 53 CO -0.30 -0.10 -0.37 0.00 -0.67 0.00 0.00 178.83 177.39 2dba h ALA 54 N 0.92 -0.75 -1.00 3.87 0.00 -1.28 -0.88 119.26 120.15 2dba h ALA 54 Ca 0.09 -0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.17 2dba h ALA 54 Cb 0.29 0.87 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 2dba h ALA 54 CO -0.23 -0.88 0.60 -0.07 0.00 0.00 0.00 179.25 178.67 2dba h LEU 55 N -0.40 0.74 -0.85 0.00 3.38 -1.37 0.11 115.31 116.92 2dba h LEU 55 Ca 0.02 0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.22 2dba h LEU 55 Cb 0.46 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.12 2dba h LEU 55 CO -0.30 0.21 0.48 1.23 0.09 0.00 0.00 178.44 180.16 2dba h GLY 56 N 0.69 1.35 -3.87 0.83 0.00 0.01 -3.41 103.07 98.68 2dba h GLY 56 Ca 0.60 -0.31 -0.50 0.00 0.00 0.00 0.00 47.33 47.11 2dba h GLY 56 CO -0.42 0.09 0.41 1.08 0.00 0.00 0.00 176.54 177.71 2dba s LEU 57 N -10.29 4.57 -1.11 3.11 1.43 0.03 -4.90 118.68 111.51 2dba s LEU 57 Ca -0.12 2.06 -0.26 0.00 -1.03 0.00 0.00 54.13 54.78 2dba s LEU 57 Cb 0.20 -3.61 -0.20 0.00 0.03 0.00 0.00 46.19 42.61 2dba s LEU 57 CO 0.78 -0.03 2.08 -0.62 0.23 0.00 0.00 176.35 178.79 2dba s ASP 58 N -0.76 3.73 0.69 2.29 2.15 -1.26 -4.88 116.67 118.62 2dba s ASP 58 Ca 0.44 -1.14 0.01 0.00 0.43 0.00 0.00 52.55 52.29 2dba s ASP 58 Cb -0.28 -2.60 0.12 0.00 -0.30 0.00 0.00 42.92 39.86 2dba s ASP 58 CO 0.35 -4.46 0.95 0.00 -0.17 0.00 0.00 175.17 171.84 2dba s ALA 59 N 15.92 3.90 0.72 3.66 0.00 -1.26 -5.08 121.76 139.62 2dba s ALA 59 Ca 0.79 -1.80 -0.13 0.00 0.00 0.00 0.00 51.96 50.82 2dba s ALA 59 Cb -0.04 -1.91 0.03 0.00 0.00 0.00 0.00 23.12 21.21 2dba s ALA 59 CO 0.18 -1.32 1.11 0.95 0.00 0.00 0.00 175.76 176.68 2dba s THR 60 N -3.04 3.12 -0.43 0.00 -4.23 -1.26 -4.90 115.64 104.91 2dba s THR 60 Ca 0.65 0.45 0.24 0.00 -1.18 0.00 0.00 61.69 61.86 2dba s THR 60 Cb -0.06 -2.93 0.26 0.00 1.34 0.00 0.00 72.50 71.11 2dba s THR 60 CO 0.43 -0.39 1.73 1.55 -0.54 0.00 0.00 174.62 177.40 2dba h PRO 61 N -0.55 0.00 0.05 3.99 0.13 -2.00 -2.50 132.00 131.11 2dba h PRO 61 Ca -0.45 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.39 2dba h PRO 61 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2dba h PRO 61 CO 0.52 0.00 -1.55 0.37 -0.23 0.00 0.00 178.00 177.11 2dba h GLN 62 N 0.00 0.10 0.08 0.86 -0.00 -2.00 -3.29 115.11 110.87 2dba h GLN 62 Ca 0.00 -0.17 -0.29 0.00 -0.00 0.00 0.00 58.65 58.18 2dba h GLN 62 Cb 0.37 0.07 0.03 0.00 0.00 0.00 0.00 27.48 27.94 2dba h GLN 62 CO 0.00 0.85 -1.19 -0.44 0.00 0.00 0.00 178.83 178.05 2dba h ASP 63 N 0.03 0.90 0.10 -0.69 3.32 -1.88 -3.30 116.42 114.89 2dba h ASP 63 Ca -0.24 -0.80 0.02 0.00 0.02 0.00 0.00 57.03 56.03 2dba h ASP 63 Cb 1.97 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 41.21 2dba h ASP 63 CO 0.11 1.60 -0.20 1.56 -1.72 0.00 0.00 179.24 180.60 2dba h GLN 64 N 0.32 -0.35 -0.79 3.56 4.20 -1.61 -2.23 115.11 118.21 2dba h GLN 64 Ca -0.17 0.02 0.18 0.00 0.06 0.00 0.00 58.65 58.74 2dba h GLN 64 Cb 1.85 0.08 -0.14 0.00 0.30 0.00 0.00 27.48 29.57 2dba h GLN 64 CO 0.23 -0.24 -0.02 0.00 -0.67 0.00 0.00 178.83 178.13 2dba h ALA 65 N 0.45 0.79 -0.40 3.87 0.00 -1.67 0.63 119.26 122.93 2dba h ALA 65 Ca 0.03 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2dba h ALA 65 Cb 0.39 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2dba h ALA 65 CO -0.12 -0.43 0.15 0.28 0.00 0.00 0.00 179.25 179.13 2dba h VAL 66 N 0.08 1.16 -0.05 0.00 2.07 -1.53 -2.20 116.25 115.77 2dba h VAL 66 Ca 0.43 -0.49 -0.18 0.00 0.82 0.00 0.00 66.70 67.28 2dba h VAL 66 Cb 0.76 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2dba h VAL 66 CO -0.71 0.19 -0.75 -0.07 0.02 0.00 0.00 177.57 176.24 2dba h LEU 67 N 0.56 0.36 -1.16 2.57 3.38 0.68 -2.49 115.31 119.22 2dba h LEU 67 Ca 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2dba h LEU 67 Cb 0.12 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2dba h LEU 67 CO -0.01 0.99 0.36 0.45 0.09 0.00 0.00 178.44 180.32 2dba h HIS 68 N 0.20 0.93 0.00 1.13 3.86 0.01 0.14 115.15 121.42 2dba h HIS 68 Ca -0.03 -0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.07 2dba h HIS 68 Cb 1.33 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 2dba h HIS 68 CO 0.03 0.65 -0.51 0.07 0.86 0.00 0.00 177.93 179.04 2dba h ARG 69 N 0.95 0.00 0.01 2.45 0.11 -1.47 -3.28 114.38 113.16 2dba h ARG 69 Ca 0.24 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.30 2dba h ARG 69 Cb 0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 2dba h ARG 69 CO -0.04 0.37 -0.07 -0.91 0.10 0.00 0.00 179.97 179.42 2dba h ASN 70 N 0.00 0.05 -0.21 0.08 2.35 -0.90 -3.33 115.58 113.62 2dba h ASN 70 Ca -0.02 -0.90 0.05 0.00 -0.55 0.00 0.00 56.30 54.88 2dba h ASN 70 Cb 1.32 -0.01 -0.07 0.00 0.05 0.00 0.00 38.32 39.60 2dba h ASN 70 CO 0.05 0.94 -0.40 0.03 -1.65 0.00 0.00 177.43 176.40 2dba h ARG 71 N -0.84 -0.41 -0.99 0.81 2.47 -0.86 -1.47 114.38 113.08 2dba h ARG 71 Ca -0.01 0.03 0.22 0.00 -1.26 0.00 0.00 59.98 58.95 2dba h ARG 71 Cb 0.96 0.09 -0.19 0.00 -1.65 0.00 0.00 29.97 29.19 2dba h ARG 71 CO 0.01 -0.27 -0.18 0.00 0.56 0.00 0.00 179.97 180.08 2dba n ALA 72 N -2.96 0.30 -0.08 0.04 0.00 -1.23 -1.26 120.51 115.32 2dba n ALA 72 Ca -0.03 1.08 -0.05 0.00 0.00 0.00 0.00 53.44 54.45 2dba n ALA 72 Cb 0.35 -0.68 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 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 1.98 -0.40 -0.98 0.00 0.00 -1.37 -0.71 119.26 117.78 2dba h ALA 73 Ca 0.51 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.61 2dba h ALA 73 Cb 0.85 0.93 -0.18 0.00 0.00 0.00 0.00 17.79 19.39 2dba h ALA 73 CO -1.00 -0.51 -0.29 0.00 0.00 0.00 0.00 179.25 177.45 2dba h HIS 75 N 0.00 -0.55 -0.77 0.00 3.86 -1.04 0.45 115.15 117.10 2dba h HIS 75 Ca 0.43 0.02 0.17 0.00 -1.16 0.00 0.00 60.37 59.83 2dba h HIS 75 Cb 0.67 0.26 -0.12 0.00 1.06 0.00 0.00 27.41 29.28 2dba h HIS 75 CO -0.79 -0.29 0.19 -0.07 0.86 0.00 0.00 177.93 177.83 2dba h LEU 76 N -0.29 0.01 -0.73 2.43 3.38 0.92 0.56 115.31 121.58 2dba h LEU 76 Ca 0.08 0.16 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 2dba h LEU 76 Cb 0.41 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2dba h LEU 76 CO -0.25 -0.06 -0.28 0.11 0.09 0.00 0.00 178.44 178.06 2dba h LYS 77 N 0.26 0.66 -1.47 1.13 1.79 -0.59 -2.99 116.57 115.37 2dba h LYS 77 Ca 0.44 -0.28 -0.36 0.00 -2.18 0.00 0.00 60.65 58.27 2dba h LYS 77 Cb 0.78 -0.02 -0.15 0.00 -1.58 0.00 0.00 32.23 31.25 2dba h LYS 77 CO -0.54 0.87 0.47 1.28 -1.08 0.00 0.00 179.45 180.45 2dba n LEU 78 N -4.09 6.61 -4.21 2.94 4.77 0.56 -4.84 117.00 118.73 2dba n LEU 78 Ca -0.00 -3.41 -0.29 0.00 -0.03 0.00 0.00 56.01 52.27 2dba n LEU 78 Cb 0.45 -1.05 -0.09 0.00 -2.33 0.00 0.00 43.42 40.40 2dba n LEU 78 CO 0.44 1.25 -0.44 1.21 -1.33 0.00 0.00 177.39 178.52 2dba n GLU 79 N 0.21 -0.94 -0.56 3.23 2.13 -0.92 -4.81 120.64 118.98 2dba n GLU 79 Ca 0.34 0.09 0.06 0.00 0.66 0.00 0.00 57.16 58.31 2dba n GLU 79 Cb 0.59 -3.39 0.16 0.00 0.27 0.00 0.00 31.44 29.07 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 -2.68 1.71 -0.32 4.31 8.00 0.16 -4.84 116.55 122.89 2dba n ASP 80 Ca -0.30 -3.41 0.11 0.00 0.71 0.00 0.00 54.79 51.91 2dba n ASP 80 Cb 0.65 -0.46 0.24 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 0.70 -0.09 -0.85 1.24 -1.99 -1.83 -0.17 116.97 114.00 2dba h TYR 81 Ca -0.03 0.07 0.09 0.00 2.00 0.00 0.00 58.73 60.86 2dba h TYR 81 Cb 1.12 0.19 -0.11 0.00 2.00 0.00 0.00 36.73 39.93 2dba h TYR 81 CO 0.48 -0.38 -0.46 -3.47 -0.00 0.00 0.00 178.16 174.32 2dba n ASP 82 N -5.46 -0.82 -0.07 3.88 2.03 -1.26 -0.32 116.55 114.52 2dba n ASP 82 Ca 0.20 1.50 -0.13 0.00 0.52 0.00 0.00 54.79 56.89 2dba n ASP 82 Cb 0.66 -0.23 -0.06 0.00 -0.72 0.00 0.00 41.12 40.78 2dba n ASP 82 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2dba h LYS 83 N 0.00 0.48 -0.90 -0.67 1.57 -1.47 -3.27 116.57 112.32 2dba h LYS 83 Ca 0.17 -0.23 0.12 0.00 -1.87 0.00 0.00 60.65 58.84 2dba h LYS 83 Cb 0.38 -0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.56 2dba h LYS 83 CO -0.81 0.79 -0.42 0.00 -0.57 0.00 0.00 179.45 178.44 2dba n ALA 84 N -2.43 -0.30 -0.18 3.86 0.00 0.56 -1.04 120.51 120.99 2dba n ALA 84 Ca -0.05 0.84 -0.06 0.00 0.00 0.00 0.00 53.44 54.17 2dba n ALA 84 Cb 0.37 -0.29 -0.05 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.06 -0.47 0.00 4.57 -1.32 0.22 114.58 117.53 2dba h GLU 85 Ca 0.24 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.49 2dba h GLU 85 Cb 0.47 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.98 2dba h GLU 85 CO -0.87 -0.04 -0.50 1.15 -1.18 0.00 0.00 179.01 177.57 2dba h THR 86 N -0.06 0.05 0.00 0.32 2.02 -1.23 -2.23 112.91 111.78 2dba h THR 86 Ca 0.07 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.27 2dba h THR 86 Cb 0.25 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 66.66 2dba h THR 86 CO -0.46 0.00 -0.48 -0.33 0.37 0.00 0.00 175.52 174.62 2dba h GLU 87 N -0.33 -0.58 -0.70 6.66 4.39 -0.68 -2.46 114.58 120.88 2dba h GLU 87 Ca 0.12 0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.93 2dba h GLU 87 Cb 0.58 0.13 -0.09 0.00 -0.10 0.00 0.00 28.75 29.27 2dba h GLU 87 CO -0.62 -0.39 -0.37 0.00 -1.16 0.00 0.00 179.01 176.46 2dba n ALA 88 N -2.92 -0.35 -0.19 3.43 0.00 0.68 0.13 120.51 121.29 2dba n ALA 88 Ca -0.07 0.62 -0.00 0.00 0.00 0.00 0.00 53.44 53.99 2dba n ALA 88 Cb 0.36 -0.15 0.08 0.00 0.00 0.00 0.00 19.45 19.74 2dba n ALA 88 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dba h SER 89 N 0.00 -0.32 -0.81 0.00 0.87 -1.08 0.18 113.55 112.39 2dba h SER 89 Ca 0.15 0.15 0.17 0.00 -1.23 0.00 0.00 61.79 61.03 2dba h SER 89 Cb 0.32 0.28 -0.11 0.00 -0.44 0.00 0.00 62.40 62.45 2dba h SER 89 CO -0.66 -0.13 0.33 0.11 -0.53 0.00 0.00 176.83 175.95 2dba h LYS 90 N 0.09 0.42 0.00 2.24 1.57 0.13 0.82 116.57 121.83 2dba h LYS 90 Ca 0.30 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2dba h LYS 90 Cb 0.48 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2dba h LYS 90 CO -0.53 0.28 0.00 0.00 -0.57 0.00 0.00 179.45 178.63 2dba h ALA 91 N 1.61 1.00 0.00 3.86 0.00 -0.36 -2.89 119.26 122.48 2dba h ALA 91 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2dba h ALA 91 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2dba h ALA 91 CO -0.45 0.00 -0.19 0.82 0.00 0.00 0.00 179.25 179.42 2dba h ILE 92 N 0.00 0.00 -0.93 0.00 2.04 0.11 -3.40 117.51 115.33 2dba h ILE 92 Ca 0.00 -0.41 0.23 0.00 1.00 0.00 0.00 64.86 65.67 2dba h ILE 92 Cb 0.36 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.27 2dba h ILE 92 CO 0.00 0.00 -0.05 1.05 0.00 0.00 0.00 178.15 179.15 2dba h GLU 93 N -0.41 0.03 -0.85 2.37 -0.00 -0.99 0.82 114.58 115.54 2dba h GLU 93 Ca 0.00 -0.00 0.15 0.00 -0.00 0.00 0.00 59.36 59.51 2dba h GLU 93 Cb 0.19 -0.01 -0.15 0.00 -0.00 0.00 0.00 28.75 28.79 2dba h GLU 93 CO 0.00 0.02 -0.26 1.63 -0.00 0.00 0.00 179.01 180.40 2dba n LYS 94 N -5.49 -0.13 -0.02 1.06 4.76 -1.09 -3.79 118.16 113.47 2dba n LYS 94 Ca 0.19 1.31 -0.03 0.00 -2.87 0.00 0.00 58.31 56.91 2dba n LYS 94 Cb 0.62 -1.95 -0.01 0.00 -1.84 0.00 0.00 35.03 31.85 2dba n LYS 94 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2dba n ASP 95 N -5.32 0.93 0.00 4.39 2.03 0.37 -5.07 116.55 113.87 2dba n ASP 95 Ca 0.11 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.57 2dba n ASP 95 Cb 0.39 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 2dba n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dba n GLY 96 N 2.40 3.55 2.54 0.27 0.00 0.26 -4.94 105.19 109.27 2dba n GLY 96 Ca -0.04 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 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 4.91 3.08 -0.02 0.00 -1.26 -4.82 105.19 107.07 2dba n GLY 97 Ca 0.00 -2.04 -0.36 0.00 0.00 0.00 0.00 46.02 43.62 2dba n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dba s ASP 98 N -0.43 5.12 0.18 1.61 -1.08 -1.26 -4.93 116.67 115.88 2dba s ASP 98 Ca 0.54 -2.83 -0.09 0.00 -0.52 0.00 0.00 52.55 49.65 2dba s ASP 98 Cb 0.40 -1.83 0.06 0.00 -1.46 0.00 0.00 42.92 40.10 2dba s ASP 98 CO -0.23 -0.36 1.59 -0.37 0.52 0.00 0.00 175.17 176.32 2dba h VAL 99 N 5.36 1.27 -0.99 1.11 -1.51 -1.95 -3.07 116.25 116.48 2dba h VAL 99 Ca -0.03 -1.31 0.35 0.00 -1.23 0.00 0.00 66.70 64.47 2dba h VAL 99 Cb 0.95 1.05 -0.17 0.00 -2.13 0.00 0.00 31.29 30.98 2dba h VAL 99 CO 0.71 0.46 0.36 0.11 -1.23 0.00 0.00 177.57 177.98 2dba h LYS 100 N 0.86 0.06 -0.01 5.19 1.79 -1.97 1.08 116.57 123.57 2dba h LYS 100 Ca 0.12 -0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.37 2dba h LYS 100 Cb 0.72 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2dba h LYS 100 CO 0.06 0.04 -0.91 0.00 -1.08 0.00 0.00 179.45 177.56 2dba h ALA 101 N 1.96 0.41 0.16 3.86 0.00 -1.90 -3.13 119.26 120.62 2dba h ALA 101 Ca 0.73 -0.70 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2dba h ALA 101 Cb 1.76 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 2dba h ALA 101 CO -0.78 0.82 -0.23 -0.07 0.00 0.00 0.00 179.25 178.99 2dba h LEU 102 N 0.23 -0.63 -0.73 0.00 3.38 0.12 -0.94 115.31 116.73 2dba h LEU 102 Ca -0.07 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2dba h LEU 102 Cb 1.54 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 42.46 2dba h LEU 102 CO 0.16 -0.32 0.43 0.22 0.09 0.00 0.00 178.44 179.01 2dba h TYR 103 N -0.45 0.79 -0.01 1.13 3.20 -1.34 -0.52 116.97 119.77 2dba h TYR 103 Ca 0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 2dba h TYR 103 Cb 0.45 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 2dba h TYR 103 CO -0.19 0.38 -0.07 0.00 -1.64 0.00 0.00 178.16 176.64 2dba h ARG 104 N 0.78 0.01 -0.02 1.82 2.47 -1.40 -2.72 114.38 115.32 2dba h ARG 104 Ca 0.33 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.03 2dba h ARG 104 Cb 0.19 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 2dba h ARG 104 CO -0.18 0.08 -0.05 -0.09 0.56 0.00 0.00 179.97 180.29 2dba h ARG 105 N 0.01 0.08 -0.88 0.04 2.43 0.28 -3.13 114.38 113.20 2dba h ARG 105 Ca 0.00 -0.05 0.25 0.00 -0.81 0.00 0.00 59.98 59.37 2dba h ARG 105 Cb 0.13 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 2dba h ARG 105 CO 0.01 0.63 0.63 0.66 -1.51 0.00 0.00 179.97 180.39 2dba h SER 106 N -0.47 0.05 0.15 -3.80 4.64 -1.07 0.49 113.55 113.54 2dba h SER 106 Ca 0.00 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2dba h SER 106 Cb 0.63 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 2dba h SER 106 CO 0.01 0.02 -0.23 1.56 -0.87 0.00 0.00 176.83 177.32 2dba h GLN 107 N 0.05 0.16 0.18 4.77 1.08 -1.46 -2.31 115.11 117.57 2dba h GLN 107 Ca 0.43 -0.05 -0.30 0.00 -1.45 0.00 0.00 58.65 57.28 2dba h GLN 107 Cb 1.62 -0.02 0.02 0.00 -0.05 0.00 0.00 27.48 29.05 2dba h GLN 107 CO -0.03 0.39 -1.44 0.00 -0.95 0.00 0.00 178.83 176.80 2dba h ALA 108 N 1.62 0.03 -0.90 3.87 0.00 -0.12 -3.31 119.26 120.45 2dba h ALA 108 Ca 0.02 -0.97 0.07 0.00 0.00 0.00 0.00 54.91 54.03 2dba h ALA 108 Cb 0.50 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 2dba h ALA 108 CO 0.03 0.77 0.56 -0.07 0.00 0.00 0.00 179.25 180.55 2dba h LEU 109 N -0.06 0.88 -0.73 0.00 3.38 -1.19 -0.43 115.31 117.16 2dba h LEU 109 Ca -0.28 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.75 2dba h LEU 109 Cb 1.96 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 42.50 2dba h LEU 109 CO 0.17 0.56 0.45 -0.33 0.09 0.00 0.00 178.44 179.38 2dba h GLU 110 N 1.01 0.84 0.00 1.13 5.08 -1.54 0.13 114.58 121.22 2dba h GLU 110 Ca 0.39 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2dba h GLU 110 Cb 0.19 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2dba h GLU 110 CO -0.18 0.55 0.00 0.87 -1.00 0.00 0.00 179.01 179.25 2dba h LYS 111 N 0.86 0.00 -0.30 2.33 1.79 -1.43 -2.82 116.57 117.01 2dba h LYS 111 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 2dba h LYS 111 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2dba h LYS 111 CO -0.13 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.52 2dba n LEU 112 N -2.67 2.17 -0.54 2.94 4.77 -0.25 -4.90 117.00 118.51 2dba n LEU 112 Ca 0.03 -0.98 -0.07 0.00 -0.03 0.00 0.00 56.01 54.96 2dba n LEU 112 Cb 0.39 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 2dba n LEU 112 CO 0.28 0.49 -0.07 0.61 -1.33 0.00 0.00 177.39 177.38 2dba n GLY 113 N 1.21 0.91 2.76 -0.72 0.00 -0.88 -4.92 105.19 103.54 2dba n GLY 113 Ca 0.16 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.48 3.61 0.27 1.61 1.74 0.29 -4.82 116.66 116.88 2dba n ARG 114 Ca -0.07 -4.20 -0.17 0.00 -0.77 0.00 0.00 57.85 52.63 2dba n ARG 114 Cb 0.27 -2.31 -0.09 0.00 -1.02 0.00 0.00 32.46 29.31 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 3.19 -1.25 -0.74 0.55 3.38 -1.85 -1.45 115.31 117.13 2dba h LEU 115 Ca 0.44 0.10 0.24 0.00 0.09 0.00 0.00 57.88 58.75 2dba h LEU 115 Cb 0.36 0.42 -0.14 0.00 0.09 0.00 0.00 40.66 41.40 2dba h LEU 115 CO 1.16 -0.61 0.14 0.47 0.09 0.00 0.00 178.44 179.69 2dba n ASP 116 N -5.53 0.03 -0.03 -0.43 8.00 -1.26 0.13 116.55 117.45 2dba n ASP 116 Ca -0.11 1.24 -0.14 0.00 0.71 0.00 0.00 54.79 56.49 2dba n ASP 116 Cb 0.43 -0.50 -0.10 0.00 -0.02 0.00 0.00 41.12 40.93 2dba n ASP 116 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2dba h GLN 117 N 0.00 0.15 -1.00 -1.24 1.08 -1.82 -3.23 115.11 109.05 2dba h GLN 117 Ca 0.51 -0.12 0.39 0.00 -1.45 0.00 0.00 58.65 57.98 2dba h GLN 117 Cb 1.16 0.02 -0.18 0.00 -0.05 0.00 0.00 27.48 28.44 2dba h GLN 117 CO -0.65 0.77 0.48 0.00 -0.95 0.00 0.00 178.83 178.48 2dba h ALA 118 N 0.38 2.03 -0.30 3.87 0.00 0.21 0.88 119.26 126.32 2dba h ALA 118 Ca -0.01 0.27 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2dba h ALA 118 Cb 0.79 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2dba h ALA 118 CO 0.03 -0.88 -0.10 0.28 0.00 0.00 0.00 179.25 178.58 2dba h VAL 119 N 0.03 1.29 -0.79 0.00 2.07 -1.44 -1.98 116.25 115.42 2dba h VAL 119 Ca 0.81 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 2dba h VAL 119 Cb 2.07 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 33.22 2dba h VAL 119 CO -0.77 0.37 0.40 -0.07 0.02 0.00 0.00 177.57 177.52 2dba h LEU 120 N 0.36 1.02 -1.25 2.57 3.38 0.65 0.22 115.31 122.27 2dba h LEU 120 Ca 0.07 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2dba h LEU 120 Cb 0.60 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2dba h LEU 120 CO 0.04 0.85 -0.36 -0.78 0.09 0.00 0.00 178.44 178.28 2dba h ASP 121 N 1.12 0.00 0.47 -0.43 1.82 -0.88 -3.00 116.42 115.52 2dba h ASP 121 Ca 0.28 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.61 2dba h ASP 121 Cb 0.09 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.10 2dba h ASP 121 CO -0.04 0.36 -1.44 -0.07 -1.61 0.00 0.00 179.24 176.44 2dba h LEU 122 N 0.00 0.49 -0.89 2.28 3.38 -0.65 -3.26 115.31 116.66 2dba h LEU 122 Ca -0.00 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2dba h LEU 122 Cb 0.69 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2dba h LEU 122 CO 0.05 1.48 0.16 0.00 0.09 0.00 0.00 178.44 180.21 2dba n GLN 123 N -3.53 0.09 -0.08 1.13 6.02 0.72 -1.97 117.38 119.76 2dba n GLN 123 Ca -0.14 0.55 -0.12 0.00 -0.01 0.00 0.00 57.00 57.29 2dba n GLN 123 Cb 1.05 -1.95 -0.05 0.00 1.02 0.00 0.00 30.24 30.31 2dba n GLN 123 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2dba n ARG 124 N -1.98 0.50 -0.04 -1.09 1.74 -1.23 -3.82 116.66 110.73 2dba n ARG 124 Ca -0.01 0.54 0.24 0.00 -0.77 0.00 0.00 57.85 57.86 2dba n ARG 124 Cb 0.18 -1.71 0.71 0.00 -1.02 0.00 0.00 32.46 30.62 2dba n ARG 124 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dba h VAL 126 N 0.00 1.29 0.01 0.00 2.07 -1.61 -2.65 116.25 115.36 2dba h VAL 126 Ca 0.32 -2.33 -0.00 0.00 0.82 0.00 0.00 66.70 65.51 2dba h VAL 126 Cb 1.52 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 2dba h VAL 126 CO -0.00 0.63 -0.01 -1.28 0.02 0.00 0.00 177.57 176.93 2dba h SER 127 N 0.00 -0.01 -0.17 0.57 0.87 0.30 -3.21 113.55 111.90 2dba h SER 127 Ca -0.01 -0.60 0.05 0.00 -1.23 0.00 0.00 61.79 60.01 2dba h SER 127 Cb 1.27 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 2dba h SER 127 CO 0.08 0.78 0.13 -0.07 -0.53 0.00 0.00 176.83 177.22 2dba h LEU 128 N -0.99 0.00 -6.93 2.23 3.38 -1.44 -3.29 115.31 108.28 2dba h LEU 128 Ca -0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 2dba h LEU 128 Cb 0.61 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.96 2dba h LEU 128 CO 0.00 0.00 -0.73 -1.61 0.09 0.00 0.00 178.44 176.19 2dba s GLU 129 N -4.98 1.55 0.00 1.13 0.41 -1.00 -4.94 118.70 110.87 2dba s GLU 129 Ca -0.05 -2.39 0.16 0.00 -0.41 0.00 0.00 54.97 52.28 2dba s GLU 129 Cb 0.17 -2.50 0.94 0.00 -1.78 0.00 0.00 34.13 30.96 2dba s GLU 129 CO 0.67 -1.23 1.35 -0.35 -0.49 0.00 0.00 175.26 175.21 2dba n PRO 130 N 3.01 0.49 -0.08 0.39 -0.04 -1.21 -2.80 135.00 134.76 2dba n PRO 130 Ca 0.15 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.50 2dba n PRO 130 Cb 0.37 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.26 2dba n PRO 130 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2dba n LYS 131 N -1.00 0.39 -1.52 0.54 2.85 -1.26 -4.88 118.16 113.29 2dba n LYS 131 Ca 0.12 0.09 -0.14 0.00 -1.05 0.00 0.00 58.31 57.33 2dba n LYS 131 Cb 0.05 -1.31 -0.11 0.00 -0.65 0.00 0.00 35.03 33.01 2dba n LYS 131 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2dba n ASN 132 N -2.97 0.79 -0.09 -5.58 4.13 -1.12 -4.71 115.26 105.71 2dba n ASN 132 Ca -0.28 -1.45 -0.05 0.00 1.68 0.00 0.00 54.58 54.48 2dba n ASN 132 Cb 0.80 -1.37 0.14 0.00 -1.54 0.00 0.00 39.78 37.81 2dba n ASN 132 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2dba h LYS 133 N 11.95 0.76 -1.45 3.52 1.57 -1.89 -2.93 116.57 128.09 2dba h LYS 133 Ca 0.01 -0.24 0.48 0.00 -1.87 0.00 0.00 60.65 59.03 2dba h LYS 133 Cb 1.03 -0.07 -0.13 0.00 0.08 0.00 0.00 32.23 33.14 2dba h LYS 133 CO 1.14 0.83 0.96 0.28 -0.57 0.00 0.00 179.45 182.08 2dba h VAL 134 N 0.70 0.04 0.47 0.50 2.07 -1.99 0.19 116.25 118.23 2dba h VAL 134 Ca 0.12 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 2dba h VAL 134 Cb 0.55 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2dba h VAL 134 CO 0.03 0.00 -0.23 -0.26 0.02 0.00 0.00 177.57 177.14 2dba h PHE 135 N 0.03 -0.58 -1.00 1.57 0.04 -1.91 -2.88 116.94 112.21 2dba h PHE 135 Ca 0.87 -0.01 0.38 0.00 2.80 0.00 0.00 57.97 62.01 2dba h PHE 135 Cb 2.90 0.19 -0.17 0.00 2.20 0.00 0.00 35.95 41.07 2dba h PHE 135 CO -0.00 -0.28 0.47 1.96 -0.60 0.00 0.00 178.31 179.86 2dba h GLN 136 N -1.05 0.06 -0.39 1.51 4.20 -0.77 0.92 115.11 119.58 2dba h GLN 136 Ca -0.06 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 2dba h GLN 136 Cb 0.57 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 2dba h GLN 136 CO 0.11 0.04 0.01 0.93 -0.67 0.00 0.00 178.83 179.24 2dba h GLU 137 N 0.06 0.69 0.26 1.46 5.08 -1.45 -0.72 114.58 119.96 2dba h GLU 137 Ca 0.79 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.94 2dba h GLU 137 Cb 2.00 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 31.15 2dba h GLU 137 CO -0.76 0.78 -0.41 0.00 -1.00 0.00 0.00 179.01 177.62 2dba h ALA 138 N 0.89 -0.80 -0.22 3.43 0.00 0.11 0.10 119.26 122.76 2dba h ALA 138 Ca 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2dba h ALA 138 Cb 0.46 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2dba h ALA 138 CO 0.02 -1.00 -0.05 1.25 0.00 0.00 0.00 179.25 179.47 2dba h LEU 139 N -0.73 0.32 -0.00 0.00 6.46 -1.42 -0.88 115.31 119.06 2dba h LEU 139 Ca -0.01 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 2dba h LEU 139 Cb 0.70 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 2dba h LEU 139 CO -0.15 0.42 0.00 0.54 -0.62 0.00 0.00 178.44 178.63 2dba n ARG 140 N -4.31 0.00 -0.04 1.25 1.74 -0.28 -0.34 116.66 114.70 2dba n ARG 140 Ca 0.00 0.14 0.02 0.00 -0.77 0.00 0.00 57.85 57.24 2dba n ARG 140 Cb 0.23 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.02 2dba n ARG 140 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2dba n ASN 141 N -1.51 0.11 -0.03 0.55 3.02 0.29 -3.27 115.26 114.43 2dba n ASN 141 Ca 0.05 0.05 0.07 0.00 -0.03 0.00 0.00 54.58 54.72 2dba n ASN 141 Cb 0.25 1.38 -0.16 0.00 -0.61 0.00 0.00 39.78 40.63 2dba n ASN 141 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2dba n ILE 142 N -2.53 0.24 -0.03 2.41 -5.35 -0.87 -4.39 119.36 108.84 2dba n ILE 142 Ca -0.16 -0.55 -0.07 0.00 -0.27 0.00 0.00 62.75 61.71 2dba n ILE 142 Cb 0.82 -0.07 -0.13 0.00 -1.74 0.00 0.00 39.64 38.52 2dba n ILE 142 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2dba n SER 143 N -2.33 0.65 -4.75 7.28 2.88 0.54 -4.94 113.62 112.95 2dba n SER 143 Ca -0.09 0.30 -0.38 0.00 -1.33 0.00 0.00 58.87 57.37 2dba n SER 143 Cb 0.66 0.28 0.04 0.00 -0.75 0.00 0.00 64.21 64.44 2dba n SER 143 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dba s GLY 144 N -5.11 2.88 -0.12 0.46 0.00 -1.20 -4.92 107.32 99.30 2dba s GLY 144 Ca -0.06 1.29 -0.29 0.00 0.00 0.00 0.00 44.72 45.66 2dba s GLY 144 CO 0.83 1.80 1.54 2.56 0.00 0.00 0.00 173.10 179.83 2dba s PRO 145 N -2.95 4.10 0.01 2.90 0.04 -1.26 -4.92 135.00 132.92 2dba s PRO 145 Ca 0.72 1.93 -0.24 0.00 0.04 0.00 0.00 61.00 63.45 2dba s PRO 145 Cb -0.39 -3.94 -0.18 0.00 0.04 0.00 0.00 34.50 30.03 2dba s PRO 145 CO 0.46 -0.91 1.37 1.03 0.04 0.00 0.00 177.00 178.98 2dba h SER 146 N 9.46 0.09 -3.86 6.66 0.87 -1.95 -3.43 113.55 121.39 2dba h SER 146 Ca -0.35 -0.40 -0.47 0.00 -1.23 0.00 0.00 61.79 59.34 2dba h SER 146 Cb 1.15 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 2dba h SER 146 CO 0.97 0.47 0.31 -0.94 -0.53 0.00 0.00 176.83 177.11 2dba s SER 147 N -5.70 7.24 0.00 6.23 1.04 -1.26 -5.30 113.70 115.95 2dba s SER 147 Ca -0.15 1.75 0.00 0.00 0.48 0.00 0.00 55.95 58.03 2dba s SER 147 Cb 0.03 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2dba s SER 147 CO 0.69 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.43