#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 -0.27 0.00 1.61 0.15 -1.26 -5.17 113.70 108.76 2dba s SER 2 Ca 0.00 0.30 -0.00 0.00 0.70 0.00 0.00 55.95 56.95 2dba s SER 2 Cb 0.00 0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 2dba s SER 2 CO 0.00 -0.38 0.07 -0.55 1.20 0.00 0.00 173.24 173.58 2dba s SER 3 N -0.94 5.60 -0.06 5.45 0.15 -1.26 -5.10 113.70 117.55 2dba s SER 3 Ca -0.10 0.12 -0.32 0.00 0.70 0.00 0.00 55.95 56.35 2dba s SER 3 Cb -0.04 -1.59 0.13 0.00 -1.71 0.00 0.00 66.02 62.82 2dba s SER 3 CO 0.04 0.27 1.37 -0.83 1.20 0.00 0.00 173.24 175.29 2dba s GLY 4 N -1.75 -0.45 0.31 9.45 0.00 -1.26 -5.19 107.32 108.43 2dba s GLY 4 Ca 0.23 0.81 -0.15 0.00 0.00 0.00 0.00 44.72 45.61 2dba s GLY 4 CO 0.14 0.46 0.65 -0.56 0.00 0.00 0.00 173.10 173.79 2dba s SER 5 N -3.04 0.01 0.36 1.64 0.01 -1.26 -5.19 113.70 106.23 2dba s SER 5 Ca 0.15 -0.96 -0.07 0.00 1.31 0.00 0.00 55.95 56.38 2dba s SER 5 Cb 0.06 0.73 0.02 0.00 0.21 0.00 0.00 66.02 67.04 2dba s SER 5 CO -0.05 -1.40 0.59 -0.44 0.41 0.00 0.00 173.24 172.34 2dba s SER 6 N -3.03 0.60 0.00 2.44 0.01 -1.26 -5.19 113.70 107.27 2dba s SER 6 Ca 0.18 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 56.07 2dba s SER 6 Cb -0.04 0.73 0.00 0.00 0.21 0.00 0.00 66.02 66.92 2dba s SER 6 CO 0.11 -1.44 0.00 0.61 0.41 0.00 0.00 173.24 172.93 2dba n GLY 7 N -0.55 5.20 3.56 3.44 0.00 -1.26 -5.19 105.19 110.39 2dba n GLY 7 Ca -0.02 -1.36 -0.06 0.00 0.00 0.00 0.00 46.02 44.57 2dba n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2dba s MET 8 N 1.19 0.53 -0.02 1.61 0.00 -1.26 -5.18 119.30 116.16 2dba s MET 8 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 55.69 55.40 2dba s MET 8 Cb 0.00 0.24 0.02 0.00 0.00 0.00 0.00 34.83 35.09 2dba s MET 8 CO 0.00 -0.22 0.26 0.95 0.00 0.00 0.00 175.02 176.00 2dba s THR 9 N -2.58 0.06 -0.02 3.16 -4.23 -1.26 -5.17 115.64 105.60 2dba s THR 9 Ca 0.07 -0.49 -0.11 0.00 -1.18 0.00 0.00 61.69 59.98 2dba s THR 9 Cb -0.01 -0.54 0.01 0.00 1.34 0.00 0.00 72.50 73.30 2dba s THR 9 CO -0.06 -0.27 0.24 -0.69 -0.54 0.00 0.00 174.62 173.30 2dba s VAL 10 N -1.20 0.06 0.04 2.29 1.01 -1.26 -5.17 120.40 116.17 2dba s VAL 10 Ca -0.13 -0.51 -0.28 0.00 0.00 0.00 0.00 61.98 61.07 2dba s VAL 10 Cb -0.06 -0.51 0.10 0.00 0.00 0.00 0.00 36.38 35.91 2dba s VAL 10 CO 0.03 -0.28 1.21 -0.55 0.00 0.00 0.00 175.10 175.51 2dba s SER 11 N -1.19 -0.04 0.00 3.32 0.15 -1.26 -5.12 113.70 109.57 2dba s SER 11 Ca -0.13 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2dba s SER 11 Cb -0.06 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 2dba s SER 11 CO 0.03 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.60 2dba n GLY 12 N -0.65 -1.78 2.74 9.45 0.00 -1.26 -5.18 105.19 108.51 2dba n GLY 12 Ca -0.04 0.68 -0.23 0.00 0.00 0.00 0.00 46.02 46.43 2dba n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dba n PRO 13 N 0.00 -2.70 -4.90 1.61 -0.04 -1.26 -5.06 135.00 122.66 2dba n PRO 13 Ca 0.00 -1.37 -0.33 0.00 -0.04 0.00 0.00 63.50 61.77 2dba n PRO 13 Cb 0.00 -1.28 -0.14 0.00 -0.04 0.00 0.00 33.50 32.04 2dba n PRO 13 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2dba s GLY 14 N -4.03 1.50 -0.17 0.55 0.00 -1.26 -5.11 107.32 98.80 2dba s GLY 14 Ca 0.56 -0.96 -0.10 0.00 0.00 0.00 0.00 44.72 44.22 2dba s GLY 14 CO 0.43 -0.56 0.42 -1.59 0.00 0.00 0.00 173.10 171.79 2dba s THR 15 N -0.31 -0.02 -0.55 0.90 2.01 -1.26 -5.11 115.64 111.30 2dba s THR 15 Ca 0.02 0.08 -0.27 0.00 0.31 0.00 0.00 61.69 61.83 2dba s THR 15 Cb -0.13 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 2dba s THR 15 CO 0.03 0.03 1.82 -2.16 -0.69 0.00 0.00 174.62 173.65 2dba s PRO 16 N 1.32 2.81 0.07 4.92 0.04 -1.26 -4.96 135.00 137.94 2dba s PRO 16 Ca -0.09 0.78 0.03 0.00 0.04 0.00 0.00 61.00 61.77 2dba s PRO 16 Cb -0.08 -4.33 -0.03 0.00 0.04 0.00 0.00 34.50 30.10 2dba s PRO 16 CO -0.12 -2.50 -0.10 -1.21 0.04 0.00 0.00 177.00 173.11 2dba s GLU 17 N 6.66 0.73 0.03 4.56 0.41 -1.26 -5.16 118.70 124.68 2dba s GLU 17 Ca 0.69 -1.00 -0.01 0.00 -0.41 0.00 0.00 54.97 54.24 2dba s GLU 17 Cb -0.14 -0.48 0.01 0.00 -1.78 0.00 0.00 34.13 31.73 2dba s GLU 17 CO 0.24 0.08 0.03 -0.35 -0.49 0.00 0.00 175.26 174.77 2dba n PRO 18 N 0.94 -1.09 -3.46 0.39 -0.04 -1.26 -5.01 135.00 125.48 2dba n PRO 18 Ca -0.19 -0.05 -0.38 0.00 -0.04 0.00 0.00 63.50 62.84 2dba n PRO 18 Cb 0.56 -0.04 -0.09 0.00 -0.04 0.00 0.00 33.50 33.89 2dba n PRO 18 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2dba s ARG 19 N -3.07 4.07 0.00 0.54 3.03 -1.26 -5.08 118.95 117.18 2dba s ARG 19 Ca 0.02 -0.00 0.00 0.00 2.03 0.00 0.00 55.73 57.78 2dba s ARG 19 Cb -0.00 -3.60 0.00 0.00 -1.03 0.00 0.00 34.95 30.32 2dba s ARG 19 CO 0.01 -0.13 0.00 -0.35 -1.13 0.00 0.00 175.30 173.71 2dba n PRO 20 N 4.83 0.21 -1.21 3.89 -0.04 -1.26 -4.89 135.00 136.53 2dba n PRO 20 Ca -0.10 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.11 2dba n PRO 20 Cb 0.51 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.99 2dba n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dba n ALA 21 N -3.00 5.82 -3.64 0.55 0.00 -1.26 -4.82 120.51 114.15 2dba n ALA 21 Ca 0.00 -2.55 -0.03 0.00 0.00 0.00 0.00 53.44 50.86 2dba n ALA 21 Cb 0.00 -1.71 -0.07 0.00 0.00 0.00 0.00 19.45 17.68 2dba n ALA 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2dba s THR 22 N -2.94 0.00 -0.38 0.00 2.01 -1.26 -5.12 115.64 107.95 2dba s THR 22 Ca 0.47 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 62.18 2dba s THR 22 Cb 0.34 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 2dba s THR 22 CO -0.10 0.00 1.71 -2.16 -0.69 0.00 0.00 174.62 173.39 2dba s PRO 23 N 1.36 3.32 -0.32 4.92 0.04 -1.26 -4.77 135.00 138.29 2dba s PRO 23 Ca -0.09 1.23 0.13 0.00 0.04 0.00 0.00 61.00 62.31 2dba s PRO 23 Cb -0.04 -4.18 0.40 0.00 0.04 0.00 0.00 34.50 30.73 2dba s PRO 23 CO -0.15 -1.88 1.49 0.41 0.04 0.00 0.00 177.00 176.91 2dba n GLY 24 N 5.37 1.98 2.76 0.56 0.00 -1.26 -5.07 105.19 109.52 2dba n GLY 24 Ca 0.21 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2dba n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dba s ALA 25 N -0.18 1.63 -0.61 4.61 0.00 -1.26 -5.00 121.76 120.95 2dba s ALA 25 Ca 0.10 -1.70 -0.02 0.00 0.00 0.00 0.00 51.96 50.34 2dba s ALA 25 Cb 0.42 -1.63 0.31 0.00 0.00 0.00 0.00 23.12 22.23 2dba s ALA 25 CO -0.12 -1.64 2.15 0.43 0.00 0.00 0.00 175.76 176.59 2dba n SER 26 N 4.81 7.21 -4.75 0.00 7.64 -1.26 -4.09 113.62 123.18 2dba n SER 26 Ca -0.02 -3.56 -0.41 0.00 1.01 0.00 0.00 58.87 55.90 2dba n SER 26 Cb 0.42 -1.06 -0.04 0.00 -1.01 0.00 0.00 64.21 62.52 2dba n SER 26 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dba s SER 27 N -0.87 7.20 0.36 6.43 0.15 -1.26 -4.63 113.70 121.09 2dba s SER 27 Ca 0.54 2.20 0.22 0.00 0.70 0.00 0.00 55.95 59.61 2dba s SER 27 Cb 0.42 -2.61 1.30 0.00 -1.71 0.00 0.00 66.02 63.42 2dba s SER 27 CO -0.15 -0.25 1.50 0.55 1.20 0.00 0.00 173.24 176.09 2dba n VAL 28 N 2.00 -0.37 0.00 4.45 3.14 -1.26 0.38 118.33 126.68 2dba n VAL 28 Ca 0.02 1.89 -0.12 0.00 -2.96 0.00 0.00 64.34 63.16 2dba n VAL 28 Cb 0.45 -3.07 -0.10 0.00 -1.06 0.00 0.00 33.84 30.06 2dba n VAL 28 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2dba h GLU 29 N 0.00 -0.08 0.00 1.45 4.81 -1.93 -2.89 114.58 115.94 2dba h GLU 29 Ca 0.81 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 60.05 2dba h GLU 29 Cb 2.23 0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.63 2dba h GLU 29 CO -0.68 0.46 0.00 0.94 -0.73 0.00 0.00 179.01 179.00 2dba n GLN 30 N -4.85 0.00 -0.49 1.92 -0.06 0.16 -3.21 117.38 110.85 2dba n GLN 30 Ca -0.08 0.48 0.41 0.00 -2.00 0.00 0.00 57.00 55.80 2dba n GLN 30 Cb 0.29 -1.32 0.68 0.00 -4.06 0.00 0.00 30.24 25.83 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 -1.94 0.17 -0.28 1.69 -0.00 0.14 -0.73 117.00 116.06 2dba n LEU 31 Ca 0.00 1.29 0.04 0.00 -0.00 0.00 0.00 56.01 57.33 2dba n LEU 31 Cb 0.00 -0.63 0.09 0.00 -0.00 0.00 0.00 43.42 42.88 2dba n LEU 31 CO 0.00 -1.39 0.49 -1.14 -0.00 0.00 0.00 177.39 175.35 2dba n ARG 32 N -4.53 -0.09 -0.22 1.47 0.63 -1.09 0.14 116.66 112.98 2dba n ARG 32 Ca 0.40 1.18 0.01 0.00 -0.92 0.00 0.00 57.85 58.52 2dba n ARG 32 Cb 1.58 -1.76 0.09 0.00 0.45 0.00 0.00 32.46 32.82 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 0.05 -0.91 -0.14 1.79 -1.10 0.55 116.57 116.81 2dba h LYS 33 Ca 0.35 -0.00 0.26 0.00 -2.18 0.00 0.00 60.65 59.07 2dba h LYS 33 Cb 0.54 -0.01 -0.15 0.00 -1.58 0.00 0.00 32.23 31.02 2dba h LYS 33 CO -0.78 0.03 0.21 1.49 -1.08 0.00 0.00 179.45 179.33 2dba h GLU 34 N 0.05 0.14 0.60 3.15 4.81 0.11 0.37 114.58 123.81 2dba h GLU 34 Ca 0.33 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.52 2dba h GLU 34 Cb 0.53 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2dba h GLU 34 CO -0.62 0.09 -0.32 0.78 -0.73 0.00 0.00 179.01 178.21 2dba h GLY 35 N 0.14 -0.96 0.74 1.92 0.00 -0.88 -1.52 103.07 102.52 2dba h GLY 35 Ca 0.59 0.37 -0.01 0.00 0.00 0.00 0.00 47.33 48.28 2dba h GLY 35 CO -0.73 -0.34 -0.35 3.43 0.00 0.00 0.00 176.54 178.55 2dba h ASN 36 N -0.85 -0.93 -1.20 0.19 2.35 -1.25 -1.70 115.58 112.19 2dba h ASN 36 Ca -0.08 0.07 0.37 0.00 -0.55 0.00 0.00 56.30 56.10 2dba h ASN 36 Cb 0.67 0.29 -0.12 0.00 0.05 0.00 0.00 38.32 39.21 2dba h ASN 36 CO 0.11 -0.53 0.77 -0.33 -1.65 0.00 0.00 177.43 175.81 2dba h GLU 37 N -0.81 0.20 -0.02 0.81 5.08 -0.37 1.29 114.58 120.76 2dba h GLU 37 Ca -0.05 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.13 2dba h GLU 37 Cb 0.69 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2dba h GLU 37 CO 0.01 0.13 -0.75 -0.07 -1.00 0.00 0.00 179.01 177.32 2dba h LEU 38 N 0.20 0.17 -0.01 1.33 3.38 -0.55 -3.12 115.31 116.71 2dba h LEU 38 Ca 0.73 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.58 2dba h LEU 38 Cb 2.15 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.85 2dba h LEU 38 CO -0.38 0.86 -0.02 0.15 0.09 0.00 0.00 178.44 179.13 2dba h PHE 39 N 0.09 0.04 0.00 1.13 3.57 0.24 0.01 116.94 122.02 2dba h PHE 39 Ca -0.02 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2dba h PHE 39 Cb 1.32 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.06 2dba h PHE 39 CO 0.02 0.62 0.00 0.36 -2.23 0.00 0.00 178.31 177.08 2dba n LYS 40 N -4.77 0.03 -0.00 1.11 2.85 -0.03 -0.83 118.16 116.52 2dba n LYS 40 Ca -0.09 0.33 0.07 0.00 -1.05 0.00 0.00 58.31 57.57 2dba n LYS 40 Cb 0.31 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.09 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 1.61 2.39 3.54 0.00 0.00 -0.01 -5.02 105.19 107.69 2dba n GLY 42 Ca -0.01 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 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 0.20 0.76 -0.07 1.61 8.00 -0.10 -4.73 116.55 122.22 2dba n ASP 43 Ca 0.00 -0.94 -0.11 0.00 0.71 0.00 0.00 54.79 54.45 2dba n ASP 43 Cb 0.00 -1.25 -0.09 0.00 -0.02 0.00 0.00 41.12 39.76 2dba n ASP 43 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2dba h TYR 44 N 13.07 0.00 -0.88 1.24 0.05 -1.92 -2.17 116.97 126.35 2dba h TYR 44 Ca -0.02 0.00 0.25 0.00 0.05 0.00 0.00 58.73 59.01 2dba h TYR 44 Cb 1.10 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.81 2dba h TYR 44 CO 1.20 0.74 0.80 0.78 -1.05 0.00 0.00 178.16 180.63 2dba h GLY 45 N -1.00 0.00 0.00 3.88 0.00 -1.95 -2.38 103.07 101.62 2dba h GLY 45 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.14 2dba h GLY 45 CO -0.03 0.00 -1.18 0.61 0.00 0.00 0.00 176.54 175.94 2dba n GLY 46 N -1.66 -0.75 0.31 4.60 0.00 -1.25 -3.94 105.19 102.52 2dba n GLY 46 Ca 0.19 -0.12 0.30 0.00 0.00 0.00 0.00 46.02 46.39 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 -3.87 0.99 -0.02 4.61 0.00 -0.82 0.10 120.51 121.51 2dba n ALA 47 Ca -0.24 0.91 -0.13 0.00 0.00 0.00 0.00 53.44 53.99 2dba n ALA 47 Cb 0.54 -0.94 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 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 0.11 -0.85 0.00 7.12 -1.64 -3.18 115.31 116.87 2dba h LEU 48 Ca 0.78 -0.40 0.20 0.00 0.13 0.00 0.00 57.88 58.59 2dba h LEU 48 Cb 2.15 -0.03 -0.15 0.00 -0.53 0.00 0.00 40.66 42.09 2dba h LEU 48 CO -0.66 0.49 -0.03 0.00 -0.13 0.00 0.00 178.44 178.10 2dba h ALA 49 N 0.62 0.85 -0.27 1.25 0.00 0.55 0.14 119.26 122.40 2dba h ALA 49 Ca 0.01 0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.27 2dba h ALA 49 Cb 0.45 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 2dba h ALA 49 CO 0.01 -0.46 -0.09 0.00 0.00 0.00 0.00 179.25 178.71 2dba h ALA 50 N 1.82 0.15 -0.83 0.00 0.00 -1.47 -1.06 119.26 117.87 2dba h ALA 50 Ca 0.47 0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.61 2dba h ALA 50 Cb 0.85 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2dba h ALA 50 CO -0.79 -0.49 0.54 1.88 0.00 0.00 0.00 179.25 180.39 2dba h TYR 51 N -0.04 0.73 0.64 0.00 0.05 -0.77 -2.51 116.97 115.09 2dba h TYR 51 Ca 0.14 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.91 2dba h TYR 51 Cb 0.24 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 2dba h TYR 51 CO -0.29 0.30 -0.44 1.15 -1.05 0.00 0.00 178.16 177.83 2dba h THR 52 N 0.64 0.00 -0.19 -2.88 2.02 -0.52 -1.70 112.91 110.28 2dba h THR 52 Ca 0.40 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.63 2dba h THR 52 Cb 0.66 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.99 2dba h THR 52 CO -0.16 0.00 -0.39 1.56 0.37 0.00 0.00 175.52 176.89 2dba h GLN 53 N -1.03 -0.41 -0.60 6.66 4.20 -1.25 -0.50 115.11 122.18 2dba h GLN 53 Ca -0.09 0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.75 2dba h GLN 53 Cb 0.84 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 28.60 2dba h GLN 53 CO 0.06 -0.28 -0.40 0.00 -0.67 0.00 0.00 178.83 177.54 2dba h ALA 54 N 0.28 -0.22 -0.81 3.87 0.00 -1.40 0.29 119.26 121.26 2dba h ALA 54 Ca 0.10 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.22 2dba h ALA 54 Cb 0.60 0.90 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 2dba h ALA 54 CO -0.43 -0.77 0.53 -0.07 0.00 0.00 0.00 179.25 178.51 2dba h LEU 55 N -0.20 0.74 -0.52 0.00 3.38 -0.67 -2.20 115.31 115.85 2dba h LEU 55 Ca 0.20 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.24 2dba h LEU 55 Cb 0.56 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 2dba h LEU 55 CO -0.70 0.46 0.22 1.23 0.09 0.00 0.00 178.44 179.74 2dba h GLY 56 N 0.83 0.71 -1.88 0.83 0.00 0.12 -3.43 103.07 100.25 2dba h GLY 56 Ca 0.36 -0.14 -0.52 0.00 0.00 0.00 0.00 47.33 47.04 2dba h GLY 56 CO -0.13 0.05 0.41 1.08 0.00 0.00 0.00 176.54 177.95 2dba s LEU 57 N -10.33 3.51 -1.17 3.11 1.43 -0.83 -4.88 118.68 109.52 2dba s LEU 57 Ca -0.13 2.20 -0.20 0.00 -1.03 0.00 0.00 54.13 54.97 2dba s LEU 57 Cb 0.15 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 2dba s LEU 57 CO 0.73 -1.67 1.93 0.47 0.23 0.00 0.00 176.35 178.04 2dba n ASP 58 N -2.07 3.61 -4.93 2.29 8.00 -1.26 -4.94 116.55 117.25 2dba n ASP 58 Ca 0.12 -2.78 -0.25 0.00 0.71 0.00 0.00 54.79 52.58 2dba n ASP 58 Cb 0.51 -1.58 0.03 0.00 -0.02 0.00 0.00 41.12 40.05 2dba n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dba s ALA 59 N 6.26 3.46 0.92 2.24 0.00 -1.26 -5.05 121.76 128.33 2dba s ALA 59 Ca 0.58 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 51.58 2dba s ALA 59 Cb 0.07 -2.45 0.02 0.00 0.00 0.00 0.00 23.12 20.76 2dba s ALA 59 CO 0.07 -0.67 0.38 0.25 0.00 0.00 0.00 175.76 175.79 2dba n THR 60 N -2.42 0.26 0.45 0.00 -2.24 -1.26 -4.73 114.28 104.33 2dba n THR 60 Ca 0.04 -0.23 0.09 0.00 -2.27 0.00 0.00 64.05 61.67 2dba n THR 60 Cb 0.58 -0.62 0.38 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.41 0.08 -0.00 -0.78 -0.04 -1.26 -2.19 135.00 129.40 2dba n PRO 61 Ca 0.07 0.33 -0.00 0.00 -0.04 0.00 0.00 63.50 63.85 2dba n PRO 61 Cb 0.53 -1.65 -0.11 0.00 -0.04 0.00 0.00 33.50 32.22 2dba n PRO 61 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2dba n GLN 62 N -1.81 0.64 0.04 0.54 -0.06 -1.26 -4.18 117.38 111.30 2dba n GLN 62 Ca 0.03 0.09 -0.05 0.00 -2.00 0.00 0.00 57.00 55.07 2dba n GLN 62 Cb 0.19 -1.69 -0.10 0.00 -4.06 0.00 0.00 30.24 24.59 2dba n GLN 62 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 2dba h ASP 63 N 0.00 0.00 0.06 1.69 5.19 -1.81 -3.26 116.42 118.29 2dba h ASP 63 Ca -0.22 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.15 2dba h ASP 63 Cb 1.61 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.12 2dba h ASP 63 CO 0.03 0.84 -0.13 1.56 -3.12 0.00 0.00 179.24 178.43 2dba h GLN 64 N 0.00 0.16 0.12 3.56 4.20 -1.60 -2.85 115.11 118.70 2dba h GLN 64 Ca -0.12 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 2dba h GLN 64 Cb 1.75 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.51 2dba h GLN 64 CO 0.09 0.30 -0.06 0.00 -0.67 0.00 0.00 178.83 178.48 2dba h ALA 65 N 1.72 -0.24 -1.40 3.87 0.00 -1.73 -2.90 119.26 118.60 2dba h ALA 65 Ca 0.03 -0.04 0.48 0.00 0.00 0.00 0.00 54.91 55.38 2dba h ALA 65 Cb 0.32 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.04 2dba h ALA 65 CO 0.02 -0.23 0.91 1.55 0.00 0.00 0.00 179.25 181.50 2dba n VAL 66 N -3.81 -0.23 0.02 0.00 3.14 -1.23 0.23 118.33 116.45 2dba n VAL 66 Ca -0.02 1.76 -0.15 0.00 -2.96 0.00 0.00 64.34 62.97 2dba n VAL 66 Cb 0.06 -2.89 -0.04 0.00 -1.06 0.00 0.00 33.84 29.92 2dba n VAL 66 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2dba h LEU 67 N 0.00 0.74 0.77 6.55 3.38 -1.59 -2.97 115.31 122.20 2dba h LEU 67 Ca 0.87 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 2dba h LEU 67 Cb 2.86 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 43.39 2dba h LEU 67 CO -0.43 1.29 -0.37 0.45 0.09 0.00 0.00 178.44 179.47 2dba h HIS 68 N 0.40 -0.95 -0.11 1.13 3.86 0.32 -1.07 115.15 118.73 2dba h HIS 68 Ca -0.06 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.16 2dba h HIS 68 Cb 1.43 0.32 -0.00 0.00 1.06 0.00 0.00 27.41 30.21 2dba h HIS 68 CO 0.07 -0.59 0.18 0.07 0.86 0.00 0.00 177.93 178.52 2dba h ARG 69 N -1.05 0.00 -0.00 2.45 0.11 -1.47 -1.87 114.38 112.54 2dba h ARG 69 Ca -0.11 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.95 2dba h ARG 69 Cb 0.79 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.88 2dba h ARG 69 CO 0.17 0.00 -0.09 -0.91 0.10 0.00 0.00 179.97 179.25 2dba h ASN 70 N 0.00 0.08 -0.73 0.08 2.35 -1.24 -3.33 115.58 112.79 2dba h ASN 70 Ca 0.05 -0.75 0.11 0.00 -0.55 0.00 0.00 56.30 55.16 2dba h ASN 70 Cb 0.41 -0.03 -0.12 0.00 0.05 0.00 0.00 38.32 38.63 2dba h ASN 70 CO -0.00 0.82 -0.41 0.03 -1.65 0.00 0.00 177.43 176.22 2dba h ARG 71 N -0.65 -0.13 -1.00 0.81 3.08 -0.34 0.41 114.38 116.56 2dba h ARG 71 Ca -0.01 0.01 0.35 0.00 0.07 0.00 0.00 59.98 60.40 2dba h ARG 71 Cb 0.83 0.03 -0.16 0.00 0.08 0.00 0.00 29.97 30.75 2dba h ARG 71 CO 0.02 -0.08 0.53 0.00 -1.07 0.00 0.00 179.97 179.36 2dba h ALA 72 N 0.90 1.98 -0.24 0.04 0.00 -1.66 0.30 119.26 120.59 2dba h ALA 72 Ca 0.24 0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.42 2dba h ALA 72 Cb 0.56 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 2dba h ALA 72 CO -0.79 -0.70 -0.44 0.00 0.00 0.00 0.00 179.25 177.32 2dba h ALA 73 N 1.90 -0.58 -0.32 0.00 0.00 -0.30 0.14 119.26 120.10 2dba h ALA 73 Ca 0.76 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.75 2dba h ALA 73 Cb 1.83 0.86 -0.06 0.00 0.00 0.00 0.00 17.79 20.43 2dba h ALA 73 CO -0.67 -0.93 -0.05 0.00 0.00 0.00 0.00 179.25 177.60 2dba h HIS 75 N 0.04 -0.50 -0.77 0.00 3.86 -1.12 -0.34 115.15 116.31 2dba h HIS 75 Ca 0.16 0.02 0.18 0.00 -1.16 0.00 0.00 60.37 59.57 2dba h HIS 75 Cb 0.23 0.24 -0.13 0.00 1.06 0.00 0.00 27.41 28.81 2dba h HIS 75 CO -0.27 -0.27 0.09 -0.07 0.86 0.00 0.00 177.93 178.27 2dba h LEU 76 N -0.26 -0.19 -1.04 2.43 3.38 -0.29 0.59 115.31 119.93 2dba h LEU 76 Ca 0.09 0.18 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 2dba h LEU 76 Cb 0.38 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2dba h LEU 76 CO -0.24 -0.14 -0.42 0.11 0.09 0.00 0.00 178.44 177.84 2dba h LYS 77 N 0.16 0.12 -1.25 1.13 1.79 -0.96 -2.98 116.57 114.58 2dba h LYS 77 Ca 0.44 -0.06 -0.54 0.00 -2.18 0.00 0.00 60.65 58.31 2dba h LYS 77 Cb 0.80 -0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.22 2dba h LYS 77 CO -0.62 0.52 0.70 1.28 -1.08 0.00 0.00 179.45 180.25 2dba n LEU 78 N -4.03 7.22 -4.00 2.94 4.77 0.17 -4.86 117.00 119.21 2dba n LEU 78 Ca -0.02 -3.93 -0.33 0.00 -0.03 0.00 0.00 56.01 51.70 2dba n LEU 78 Cb 0.47 -1.02 -0.07 0.00 -2.33 0.00 0.00 43.42 40.47 2dba n LEU 78 CO 0.41 1.40 -0.19 1.21 -1.33 0.00 0.00 177.39 178.88 2dba n GLU 79 N -0.39 -0.80 -0.93 3.23 2.13 -0.87 -4.76 120.64 118.24 2dba n GLU 79 Ca 0.50 0.11 -0.06 0.00 0.66 0.00 0.00 57.16 58.37 2dba n GLU 79 Cb 0.61 -3.66 0.18 0.00 0.27 0.00 0.00 31.44 28.84 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 -1.97 2.79 -0.32 4.31 8.00 0.11 -4.81 116.55 124.67 2dba n ASP 80 Ca 0.02 -3.82 0.01 0.00 0.71 0.00 0.00 54.79 51.70 2dba n ASP 80 Cb 0.41 -0.60 0.07 0.00 -0.02 0.00 0.00 41.12 40.98 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 1.17 -0.78 -0.72 1.24 0.05 -1.85 -0.30 116.97 115.79 2dba h TYR 81 Ca 0.22 0.09 0.08 0.00 0.05 0.00 0.00 58.73 59.17 2dba h TYR 81 Cb 1.49 0.47 -0.10 0.00 1.01 0.00 0.00 36.73 39.60 2dba h TYR 81 CO 0.99 -0.39 -0.36 -0.25 -1.05 0.00 0.00 178.16 177.10 2dba n ASP 82 N -5.51 -0.64 0.01 3.88 9.92 -1.26 0.12 116.55 123.07 2dba n ASP 82 Ca 0.11 1.27 -0.13 0.00 -0.53 0.00 0.00 54.79 55.51 2dba n ASP 82 Cb 0.42 -0.22 -0.09 0.00 -0.64 0.00 0.00 41.12 40.59 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 0.01 -0.99 -1.24 1.57 -1.48 -3.16 116.57 111.28 2dba h LYS 83 Ca 0.17 -0.00 0.19 0.00 -1.87 0.00 0.00 60.65 59.14 2dba h LYS 83 Cb 0.35 -0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.48 2dba h LYS 83 CO -0.69 0.30 -0.28 0.00 -0.57 0.00 0.00 179.45 178.21 2dba h ALA 84 N 0.71 0.54 -0.17 3.86 0.00 0.32 0.19 119.26 124.72 2dba h ALA 84 Ca 0.00 0.36 0.05 0.00 0.00 0.00 0.00 54.91 55.32 2dba h ALA 84 Cb 0.29 0.81 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 2dba h ALA 84 CO 0.00 -0.43 -0.37 1.49 0.00 0.00 0.00 179.25 179.94 2dba h GLU 85 N -0.00 -0.41 -0.57 0.00 4.22 -1.06 0.16 114.58 116.92 2dba h GLU 85 Ca 0.45 0.03 0.05 0.00 0.08 0.00 0.00 59.36 59.97 2dba h GLU 85 Cb 0.69 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 2dba h GLU 85 CO -1.01 -0.27 0.29 1.15 -2.18 0.00 0.00 179.01 176.99 2dba h THR 86 N -0.42 0.94 0.56 0.32 2.02 -0.76 -2.41 112.91 113.16 2dba h THR 86 Ca 0.10 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 2dba h THR 86 Cb 0.58 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2dba h THR 86 CO -0.40 0.10 -0.36 -0.33 0.37 0.00 0.00 175.52 174.90 2dba h GLU 87 N 0.56 -0.85 -0.54 6.66 4.39 -0.15 -2.87 114.58 121.78 2dba h GLU 87 Ca 0.26 0.06 0.08 0.00 0.34 0.00 0.00 59.36 60.09 2dba h GLU 87 Cb 0.17 0.19 -0.10 0.00 -0.10 0.00 0.00 28.75 28.92 2dba h GLU 87 CO -0.18 -0.57 -0.48 0.00 -1.16 0.00 0.00 179.01 176.63 2dba h ALA 88 N -0.53 -0.47 -0.87 3.43 0.00 -0.51 0.24 119.26 120.55 2dba h ALA 88 Ca -0.07 0.08 0.21 0.00 0.00 0.00 0.00 54.91 55.13 2dba h ALA 88 Cb 0.72 1.02 -0.16 0.00 0.00 0.00 0.00 17.79 19.38 2dba h ALA 88 CO 0.05 -0.90 -0.04 1.03 0.00 0.00 0.00 179.25 179.39 2dba h SER 89 N -0.27 -0.50 -0.32 0.00 0.87 -1.35 1.13 113.55 113.12 2dba h SER 89 Ca 0.15 0.24 0.01 0.00 -1.23 0.00 0.00 61.79 60.96 2dba h SER 89 Cb 0.57 0.44 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 2dba h SER 89 CO -0.67 -0.26 0.21 0.11 -0.53 0.00 0.00 176.83 175.70 2dba h LYS 90 N 0.05 0.39 0.00 2.24 1.57 -0.74 0.37 116.57 120.44 2dba h LYS 90 Ca 0.48 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 2dba h LYS 90 Cb 0.88 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2dba h LYS 90 CO -0.81 0.26 0.00 0.00 -0.57 0.00 0.00 179.45 178.33 2dba h ALA 91 N 1.80 1.00 0.00 3.86 0.00 0.19 -2.79 119.26 123.33 2dba h ALA 91 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2dba h ALA 91 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2dba h ALA 91 CO -0.03 0.00 -0.69 0.82 0.00 0.00 0.00 179.25 179.35 2dba h ILE 92 N 0.00 0.64 -0.12 0.00 2.04 -0.08 -3.36 117.51 116.63 2dba h ILE 92 Ca 0.00 -1.69 0.03 0.00 1.00 0.00 0.00 64.86 64.21 2dba h ILE 92 Cb 0.62 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2dba h ILE 92 CO 0.00 0.22 0.14 1.05 0.00 0.00 0.00 178.15 179.56 2dba h GLU 93 N -1.00 0.00 0.58 2.37 4.11 -1.37 0.55 114.58 119.83 2dba h GLU 93 Ca -0.15 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.26 2dba h GLU 93 Cb 0.85 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 2dba h GLU 93 CO -0.09 0.00 -0.51 0.87 0.07 0.00 0.00 179.01 179.35 2dba h LYS 94 N 0.00 -1.03 0.00 1.06 1.79 -1.64 -3.38 116.57 113.37 2dba h LYS 94 Ca 0.06 0.07 -0.31 0.00 -2.18 0.00 0.00 60.65 58.29 2dba h LYS 94 Cb 0.34 0.23 -0.05 0.00 -1.58 0.00 0.00 32.23 31.18 2dba h LYS 94 CO -0.00 -0.69 -1.93 -3.47 -1.08 0.00 0.00 179.45 172.28 2dba n ASP 95 N -5.58 1.94 0.00 0.86 -0.08 -1.03 -5.05 116.55 107.61 2dba n ASP 95 Ca -0.13 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 2dba n ASP 95 Cb 0.48 -0.82 0.00 0.00 2.34 0.00 0.00 41.12 43.12 2dba n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dba n GLY 96 N 1.34 3.41 2.75 0.27 0.00 0.19 -4.93 105.19 108.21 2dba n GLY 96 Ca -0.40 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 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 5.84 3.00 -0.02 0.00 -1.26 -4.90 105.19 107.85 2dba n GLY 97 Ca 0.00 -2.64 -0.31 0.00 0.00 0.00 0.00 46.02 43.07 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 -2.19 4.58 0.17 1.61 1.11 -1.26 -4.97 116.67 115.72 2dba s ASP 98 Ca 0.46 -1.89 -0.07 0.00 0.18 0.00 0.00 52.55 51.23 2dba s ASP 98 Cb 0.31 -1.52 0.04 0.00 1.07 0.00 0.00 42.92 42.82 2dba s ASP 98 CO -0.22 -0.33 1.48 -0.37 1.18 0.00 0.00 175.17 176.91 2dba h VAL 99 N 6.64 1.30 -0.70 -1.27 -1.51 -1.95 -3.22 116.25 115.54 2dba h VAL 99 Ca -0.09 -1.73 0.27 0.00 -1.23 0.00 0.00 66.70 63.92 2dba h VAL 99 Cb 1.03 1.67 -0.13 0.00 -2.13 0.00 0.00 31.29 31.73 2dba h VAL 99 CO 0.50 0.55 0.29 0.29 -1.23 0.00 0.00 177.57 177.97 2dba n LYS 100 N -3.99 -0.04 0.05 5.19 4.01 -1.26 0.23 118.16 122.34 2dba n LYS 100 Ca -0.03 0.98 -0.20 0.00 -0.51 0.00 0.00 58.31 58.55 2dba n LYS 100 Cb 0.60 -1.71 -0.13 0.00 -0.51 0.00 0.00 35.03 33.29 2dba n LYS 100 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dba h ALA 101 N 1.39 0.01 -0.54 7.82 0.00 -1.90 -3.05 119.26 122.98 2dba h ALA 101 Ca 0.55 -0.68 0.08 0.00 0.00 0.00 0.00 54.91 54.87 2dba h ALA 101 Cb 1.41 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.21 2dba h ALA 101 CO -0.56 0.50 0.17 -0.07 0.00 0.00 0.00 179.25 179.28 2dba h LEU 102 N 0.00 0.13 -0.60 0.00 3.38 0.28 0.32 115.31 118.82 2dba h LEU 102 Ca -0.14 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2dba h LEU 102 Cb 1.63 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.44 2dba h LEU 102 CO 0.18 0.09 0.23 0.22 0.09 0.00 0.00 178.44 179.25 2dba h TYR 103 N 0.33 0.93 -0.08 1.13 3.20 -1.13 -1.60 116.97 119.76 2dba h TYR 103 Ca 0.27 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.98 2dba h TYR 103 Cb 0.34 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2dba h TYR 103 CO -0.19 0.74 -0.35 0.00 -1.64 0.00 0.00 178.16 176.73 2dba h ARG 104 N 0.84 0.15 0.21 1.82 2.47 -1.20 -3.19 114.38 115.49 2dba h ARG 104 Ca 0.20 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 2dba h ARG 104 Cb 0.22 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 2dba h ARG 104 CO -0.01 0.49 -0.10 -0.09 0.56 0.00 0.00 179.97 180.81 2dba h ARG 105 N 0.13 -0.28 -0.27 0.04 2.43 0.02 -2.98 114.38 113.48 2dba h ARG 105 Ca 0.02 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.28 2dba h ARG 105 Cb 0.69 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 2dba h ARG 105 CO 0.05 0.10 0.67 0.66 -1.51 0.00 0.00 179.97 179.94 2dba h SER 106 N -0.75 0.00 -0.01 -3.80 4.64 -1.29 0.25 113.55 112.58 2dba h SER 106 Ca -0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2dba h SER 106 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2dba h SER 106 CO 0.05 0.00 -0.03 1.56 -0.87 0.00 0.00 176.83 177.54 2dba h GLN 107 N 0.00 0.04 -0.06 4.77 1.08 -1.53 -3.02 115.11 116.40 2dba h GLN 107 Ca 0.13 -0.03 -0.11 0.00 -1.45 0.00 0.00 58.65 57.19 2dba h GLN 107 Cb 1.47 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.89 2dba h GLN 107 CO -0.00 0.63 -0.46 0.00 -0.95 0.00 0.00 178.83 178.05 2dba h ALA 108 N 0.42 1.13 0.51 3.87 0.00 -0.60 -3.12 119.26 121.46 2dba h ALA 108 Ca -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2dba h ALA 108 Cb 0.63 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2dba h ALA 108 CO 0.01 0.61 -0.34 -0.07 0.00 0.00 0.00 179.25 179.45 2dba h LEU 109 N 0.11 -0.87 -1.07 0.00 3.38 -1.28 -2.42 115.31 113.16 2dba h LEU 109 Ca 0.01 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.17 2dba h LEU 109 Cb 0.86 0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.79 2dba h LEU 109 CO 0.07 -0.52 0.62 -0.33 0.09 0.00 0.00 178.44 178.36 2dba h GLU 110 N -0.82 0.87 -0.76 1.13 5.08 -1.38 -0.65 114.58 118.05 2dba h GLU 110 Ca -0.06 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.33 2dba h GLU 110 Cb 0.68 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 2dba h GLU 110 CO 0.04 0.58 0.43 -0.22 -1.00 0.00 0.00 179.01 178.83 2dba h LYS 111 N 0.90 0.73 0.00 2.33 1.63 -1.40 0.22 116.57 120.98 2dba h LYS 111 Ca 0.50 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.26 2dba h LYS 111 Cb 0.60 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 2dba h LYS 111 CO -0.27 0.49 0.00 1.28 -3.45 0.00 0.00 179.45 177.50 2dba n LEU 112 N -4.76 0.00 0.00 5.20 4.77 -0.36 -4.84 117.00 117.02 2dba n LEU 112 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2dba n LEU 112 Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2dba n LEU 112 CO 0.28 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2dba n GLY 113 N 0.56 3.18 3.55 -0.72 0.00 0.76 -4.96 105.19 107.56 2dba n GLY 113 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.29 0.76 0.10 1.61 1.74 -0.55 -4.61 116.66 114.41 2dba n ARG 114 Ca 0.00 -1.97 -0.23 0.00 -0.77 0.00 0.00 57.85 54.88 2dba n ARG 114 Cb 0.00 -3.71 -0.15 0.00 -1.02 0.00 0.00 32.46 27.58 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 19.94 0.67 -0.65 0.55 3.38 -1.83 -2.94 115.31 134.43 2dba h LEU 115 Ca 0.13 -0.93 0.02 0.00 0.09 0.00 0.00 57.88 57.20 2dba h LEU 115 Cb 0.94 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 2dba h LEU 115 CO 1.22 1.65 0.41 0.44 0.09 0.00 0.00 178.44 182.24 2dba h ASP 116 N -0.03 0.67 0.35 -0.43 5.19 -1.97 -2.92 116.42 117.28 2dba h ASP 116 Ca -0.25 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.14 2dba h ASP 116 Cb 2.00 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 41.36 2dba h ASP 116 CO 0.21 0.47 -0.17 1.56 -3.12 0.00 0.00 179.24 178.20 2dba h GLN 117 N 0.81 -0.45 -0.97 3.56 7.50 -1.95 -2.87 115.11 120.74 2dba h GLN 117 Ca 0.25 0.03 0.30 0.00 0.50 0.00 0.00 58.65 59.74 2dba h GLN 117 Cb -0.01 0.10 -0.17 0.00 0.05 0.00 0.00 27.48 27.45 2dba h GLN 117 CO -0.09 -0.24 0.20 0.00 -1.50 0.00 0.00 178.83 177.20 2dba h ALA 118 N 0.08 1.45 0.40 3.87 0.00 -1.46 0.17 119.26 123.76 2dba h ALA 118 Ca -0.05 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2dba h ALA 118 Cb 0.41 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2dba h ALA 118 CO 0.08 -0.64 -0.26 0.28 0.00 0.00 0.00 179.25 178.70 2dba h VAL 119 N 0.05 0.46 0.17 0.00 2.07 -1.35 -1.16 116.25 116.49 2dba h VAL 119 Ca 0.65 0.00 0.01 0.00 0.82 0.00 0.00 66.70 68.18 2dba h VAL 119 Cb 1.46 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 2dba h VAL 119 CO -0.83 0.00 -0.53 -0.07 0.02 0.00 0.00 177.57 176.17 2dba h LEU 120 N -0.64 -1.57 -0.84 2.57 3.38 -0.61 0.75 115.31 118.36 2dba h LEU 120 Ca -0.04 0.16 0.19 0.00 0.09 0.00 0.00 57.88 58.28 2dba h LEU 120 Cb 0.53 0.57 -0.12 0.00 0.09 0.00 0.00 40.66 41.74 2dba h LEU 120 CO 0.03 -0.57 0.31 0.44 0.09 0.00 0.00 178.44 178.74 2dba h ASP 121 N -0.79 0.21 -0.14 -0.43 5.19 -1.28 -0.44 116.42 118.75 2dba h ASP 121 Ca -0.01 0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 2dba h ASP 121 Cb 0.78 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.44 2dba h ASP 121 CO -0.26 -0.01 0.07 -0.07 -3.12 0.00 0.00 179.24 175.86 2dba h LEU 122 N 0.36 0.17 -1.49 1.55 3.38 -0.31 -2.55 115.31 116.43 2dba h LEU 122 Ca 0.50 -0.08 0.49 0.00 0.09 0.00 0.00 57.88 58.88 2dba h LEU 122 Cb 0.91 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 41.49 2dba h LEU 122 CO -0.52 0.20 0.97 1.56 0.09 0.00 0.00 178.44 180.74 2dba h GLN 123 N 0.12 0.01 0.02 1.13 4.20 0.87 0.70 115.11 122.16 2dba h GLN 123 Ca 0.05 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2dba h GLN 123 Cb 0.07 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2dba h GLN 123 CO -0.01 0.01 -0.01 0.00 -0.67 0.00 0.00 178.83 178.15 2dba h ARG 124 N 0.01 -0.02 -0.72 1.46 3.08 -1.40 -3.00 114.38 113.79 2dba h ARG 124 Ca 0.89 0.00 0.15 0.00 0.07 0.00 0.00 59.98 61.09 2dba h ARG 124 Cb 2.96 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 32.89 2dba h ARG 124 CO -0.40 0.31 -0.13 0.00 -1.07 0.00 0.00 179.97 178.68 2dba h VAL 126 N 0.02 0.49 0.13 0.00 2.07 -1.49 0.58 116.25 118.06 2dba h VAL 126 Ca 0.36 -0.20 -0.20 0.00 0.82 0.00 0.00 66.70 67.48 2dba h VAL 126 Cb 0.57 1.13 0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2dba h VAL 126 CO -0.72 0.04 -0.90 -1.28 0.02 0.00 0.00 177.57 174.74 2dba h SER 127 N 0.00 0.44 1.25 0.57 0.87 0.11 -3.25 113.55 113.55 2dba h SER 127 Ca -0.00 -0.94 -0.11 0.00 -1.23 0.00 0.00 61.79 59.52 2dba h SER 127 Cb 0.13 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 2dba h SER 127 CO 0.01 1.42 -0.51 -0.07 -0.53 0.00 0.00 176.83 177.15 2dba h LEU 128 N -0.38 0.00 -6.94 2.23 3.38 -0.38 -3.39 115.31 109.83 2dba h LEU 128 Ca -0.17 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.19 2dba h LEU 128 Cb 1.65 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 42.00 2dba h LEU 128 CO 0.13 0.51 -0.74 -1.61 0.09 0.00 0.00 178.44 176.82 2dba s GLU 129 N -3.14 1.38 0.18 1.13 0.41 0.20 -4.95 118.70 113.91 2dba s GLU 129 Ca 0.02 -2.16 0.20 0.00 -0.41 0.00 0.00 54.97 52.63 2dba s GLU 129 Cb 0.09 -2.37 0.86 0.00 -1.78 0.00 0.00 34.13 30.93 2dba s GLU 129 CO 0.73 -1.20 1.63 -0.35 -0.49 0.00 0.00 175.26 175.58 2dba n PRO 130 N 3.30 0.13 -0.09 0.39 -0.04 -1.22 -3.18 135.00 134.29 2dba n PRO 130 Ca 0.12 0.37 -0.23 0.00 -0.04 0.00 0.00 63.50 63.72 2dba n PRO 130 Cb 0.36 -1.75 -0.12 0.00 -0.04 0.00 0.00 33.50 31.95 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 -2.00 0.63 -1.53 0.54 2.85 -1.26 -4.84 118.16 112.55 2dba n LYS 131 Ca 0.02 0.37 -0.35 0.00 -1.05 0.00 0.00 58.31 57.30 2dba n LYS 131 Cb 0.21 -1.64 -0.10 0.00 -0.65 0.00 0.00 35.03 32.85 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 -4.02 1.15 0.08 -5.58 4.13 -1.19 -4.75 115.26 105.08 2dba n ASN 132 Ca -0.40 -0.30 -0.07 0.00 1.68 0.00 0.00 54.58 55.49 2dba n ASN 132 Cb 0.86 -1.24 0.06 0.00 -1.54 0.00 0.00 39.78 37.92 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 15.31 0.26 -0.84 3.52 1.57 -1.88 -3.12 116.57 131.39 2dba h LYS 133 Ca -0.12 -0.22 0.24 0.00 -1.87 0.00 0.00 60.65 58.69 2dba h LYS 133 Cb 1.26 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.58 2dba h LYS 133 CO 1.28 0.87 0.80 -0.39 -0.57 0.00 0.00 179.45 181.44 2dba h VAL 134 N 0.18 0.27 0.04 0.50 -1.51 -1.98 0.18 116.25 113.92 2dba h VAL 134 Ca -0.02 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.38 2dba h VAL 134 Cb 1.28 0.39 0.01 0.00 -2.13 0.00 0.00 31.29 30.83 2dba h VAL 134 CO 0.11 0.00 -0.27 -0.26 -1.23 0.00 0.00 177.57 175.93 2dba h PHE 135 N 0.00 0.20 -0.19 5.19 0.04 -1.93 -1.94 116.94 118.30 2dba h PHE 135 Ca 0.40 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 61.03 2dba h PHE 135 Cb 1.99 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 40.12 2dba h PHE 135 CO 0.00 1.06 0.08 1.96 -0.60 0.00 0.00 178.31 180.82 2dba h GLN 136 N -0.73 0.26 0.20 1.51 4.20 -0.84 -0.22 115.11 119.50 2dba h GLN 136 Ca -0.04 -0.02 -0.31 0.00 0.06 0.00 0.00 58.65 58.33 2dba h GLN 136 Cb 1.17 -0.06 0.02 0.00 0.30 0.00 0.00 27.48 28.91 2dba h GLN 136 CO 0.05 0.22 -1.39 1.05 -0.67 0.00 0.00 178.83 178.09 2dba h GLU 137 N 0.27 0.42 0.00 1.46 4.11 -1.19 -3.20 114.58 116.45 2dba h GLU 137 Ca 0.07 -0.71 -0.05 0.00 0.07 0.00 0.00 59.36 58.74 2dba h GLU 137 Cb 0.05 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2dba h GLU 137 CO -0.01 1.34 -0.22 0.00 0.07 0.00 0.00 179.01 180.19 2dba h ALA 138 N 0.35 1.07 0.17 1.06 0.00 -0.81 -1.70 119.26 119.40 2dba h ALA 138 Ca -0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2dba h ALA 138 Cb 2.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2dba h ALA 138 CO 0.24 0.28 -0.08 1.25 0.00 0.00 0.00 179.25 180.94 2dba h LEU 139 N 0.00 -0.20 -1.43 0.00 7.12 -1.10 -3.18 115.31 116.52 2dba h LEU 139 Ca -0.00 -0.34 -0.03 0.00 0.13 0.00 0.00 57.88 57.64 2dba h LEU 139 Cb 0.68 0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.86 2dba h LEU 139 CO 0.03 0.32 -0.14 0.03 -0.13 0.00 0.00 178.44 178.55 2dba h ARG 140 N -0.80 0.00 -0.77 1.25 3.08 -1.55 0.11 114.38 115.70 2dba h ARG 140 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2dba h ARG 140 Cb 0.52 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 2dba h ARG 140 CO 0.04 0.14 0.41 -0.91 -1.07 0.00 0.00 179.97 178.57 2dba h ASN 141 N 0.00 0.97 0.00 7.04 2.35 -1.31 -1.01 115.58 123.62 2dba h ASN 141 Ca -0.00 -0.09 -0.28 0.00 -0.55 0.00 0.00 56.30 55.38 2dba h ASN 141 Cb 0.58 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.65 2dba h ASN 141 CO 0.02 0.79 -2.29 2.30 -1.65 0.00 0.00 177.43 176.60 2dba n ILE 142 N -4.34 1.06 -0.03 2.81 -5.35 -1.10 -4.36 119.36 108.05 2dba n ILE 142 Ca 0.08 -0.77 -0.04 0.00 -0.27 0.00 0.00 62.75 61.74 2dba n ILE 142 Cb 0.11 -0.35 0.18 0.00 -1.74 0.00 0.00 39.64 37.84 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 0.59 -2.70 7.28 0.87 -0.71 -3.45 113.55 115.42 2dba h SER 143 Ca -0.42 -0.18 -0.59 0.00 -1.23 0.00 0.00 61.79 59.37 2dba h SER 143 Cb 1.95 -0.16 0.17 0.00 -0.44 0.00 0.00 62.40 63.92 2dba h SER 143 CO 0.02 0.78 -0.51 0.61 -0.53 0.00 0.00 176.83 177.20 2dba n GLY 144 N -0.45 -1.75 0.28 5.77 0.00 -0.39 -4.85 105.19 103.79 2dba n GLY 144 Ca 0.00 -0.13 0.18 0.00 0.00 0.00 0.00 46.02 46.07 2dba n GLY 144 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dba h PRO 145 N 0.32 0.00 -6.55 1.61 0.13 -1.90 -3.45 132.00 122.14 2dba h PRO 145 Ca -0.44 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.11 2dba h PRO 145 Cb 1.41 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.70 2dba h PRO 145 CO 0.47 0.00 -0.26 0.43 -0.23 0.00 0.00 178.00 178.41 2dba n SER 146 N -3.07 -0.53 -4.87 1.44 7.64 -1.26 -4.96 113.62 108.01 2dba n SER 146 Ca 0.00 0.79 -0.31 0.00 1.01 0.00 0.00 58.87 60.36 2dba n SER 146 Cb 0.29 -1.22 -0.04 0.00 -1.01 0.00 0.00 64.21 62.23 2dba n SER 146 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dba s SER 147 N -1.13 6.62 0.00 6.43 1.04 -1.26 -5.07 113.70 120.33 2dba s SER 147 Ca 0.69 1.16 0.00 0.00 0.48 0.00 0.00 55.95 58.28 2dba s SER 147 Cb -0.46 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.33 2dba s SER 147 CO 0.54 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.07