#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 2.87 0.33 1.61 0.01 -1.26 -5.17 113.70 112.08 2dba s SER 2 Ca 0.00 -1.61 -0.12 0.00 1.31 0.00 0.00 55.95 55.53 2dba s SER 2 Cb 0.00 0.39 0.02 0.00 0.21 0.00 0.00 66.02 66.64 2dba s SER 2 CO 0.00 -0.86 0.61 -0.55 0.41 0.00 0.00 173.24 172.85 2dba s SER 3 N -3.62 0.23 0.05 2.44 0.15 -1.26 -5.19 113.70 106.50 2dba s SER 3 Ca 0.24 -1.13 -0.07 0.00 0.70 0.00 0.00 55.95 55.69 2dba s SER 3 Cb 0.04 0.71 0.02 0.00 -1.71 0.00 0.00 66.02 65.08 2dba s SER 3 CO 0.13 -1.39 0.33 0.61 1.20 0.00 0.00 173.24 174.12 2dba n GLY 4 N -0.50 1.02 3.83 9.45 0.00 -1.26 -5.19 105.19 112.54 2dba n GLY 4 Ca -0.03 -0.98 -0.07 0.00 0.00 0.00 0.00 46.02 44.94 2dba n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dba s SER 5 N -1.77 -0.03 0.26 1.61 0.15 -1.26 -5.19 113.70 107.47 2dba s SER 5 Ca 0.07 -0.96 -0.21 0.00 0.70 0.00 0.00 55.95 55.56 2dba s SER 5 Cb -0.01 0.75 0.05 0.00 -1.71 0.00 0.00 66.02 65.10 2dba s SER 5 CO 0.01 -1.47 0.88 -0.94 1.20 0.00 0.00 173.24 172.92 2dba s SER 6 N -3.12 -0.10 0.00 5.45 1.04 -1.26 -5.19 113.70 110.52 2dba s SER 6 Ca 0.16 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2dba s SER 6 Cb -0.04 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2dba s SER 6 CO 0.09 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.67 2dba n GLY 7 N -0.54 6.00 3.34 7.32 0.00 -1.26 -5.18 105.19 114.86 2dba n GLY 7 Ca -0.06 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 2dba n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dba s MET 8 N 1.60 1.50 -0.26 1.61 1.00 -1.26 -5.09 119.30 118.41 2dba s MET 8 Ca 0.00 -1.66 -0.07 0.00 0.00 0.00 0.00 55.69 53.96 2dba s MET 8 Cb 0.00 0.35 -0.14 0.00 0.00 0.00 0.00 34.83 35.04 2dba s MET 8 CO 0.00 -0.56 -0.29 0.25 0.00 0.00 0.00 175.02 174.41 2dba n THR 9 N -0.41 1.46 -4.31 2.05 -2.24 -1.26 -4.99 114.28 104.58 2dba n THR 9 Ca 0.02 -0.45 -0.36 0.00 -2.27 0.00 0.00 64.05 60.99 2dba n THR 9 Cb 0.64 -1.66 -0.06 0.00 -2.10 0.00 0.00 70.33 67.14 2dba n THR 9 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2dba n VAL 10 N -3.80 -0.97 -4.73 2.28 0.31 -1.26 -4.92 118.33 105.24 2dba n VAL 10 Ca -0.50 -0.17 -0.30 0.00 -0.01 0.00 0.00 64.34 63.36 2dba n VAL 10 Cb 0.92 -1.29 -0.17 0.00 -0.91 0.00 0.00 33.84 32.39 2dba n VAL 10 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2dba s SER 11 N -3.65 2.79 -0.01 4.52 0.15 -1.26 -5.13 113.70 111.11 2dba s SER 11 Ca 0.52 -0.51 -0.04 0.00 0.70 0.00 0.00 55.95 56.62 2dba s SER 11 Cb -0.29 -1.28 -0.00 0.00 -1.71 0.00 0.00 66.02 62.74 2dba s SER 11 CO 0.97 0.07 0.08 -0.83 1.20 0.00 0.00 173.24 174.73 2dba s GLY 12 N 0.75 0.05 1.13 9.45 0.00 -1.26 -5.16 107.32 112.27 2dba s GLY 12 Ca -0.10 -0.10 -0.17 0.00 0.00 0.00 0.00 44.72 44.35 2dba s GLY 12 CO 0.01 -0.18 1.10 2.56 0.00 0.00 0.00 173.10 176.59 2dba s PRO 13 N -0.86 -0.63 0.00 2.90 0.04 -1.26 -5.00 135.00 130.19 2dba s PRO 13 Ca -0.10 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.10 2dba s PRO 13 Cb -0.06 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.84 2dba s PRO 13 CO 0.00 -3.36 0.00 0.41 0.04 0.00 0.00 177.00 174.09 2dba n GLY 14 N -0.99 -0.63 3.13 0.56 0.00 -1.26 -5.18 105.19 100.82 2dba n GLY 14 Ca 0.10 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 2dba n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dba s THR 15 N 0.00 0.12 -0.49 2.61 -4.23 -1.26 -5.11 115.64 107.28 2dba s THR 15 Ca 0.00 -0.98 -0.27 0.00 -1.18 0.00 0.00 61.69 59.25 2dba s THR 15 Cb 0.00 -0.81 -0.02 0.00 1.34 0.00 0.00 72.50 73.01 2dba s THR 15 CO 0.00 -0.54 1.79 -2.16 -0.54 0.00 0.00 174.62 173.17 2dba s PRO 16 N -2.38 2.98 0.09 3.99 0.04 -1.26 -4.97 135.00 133.48 2dba s PRO 16 Ca -0.07 0.93 0.02 0.00 0.04 0.00 0.00 61.00 61.92 2dba s PRO 16 Cb -0.02 -4.28 -0.04 0.00 0.04 0.00 0.00 34.50 30.20 2dba s PRO 16 CO -0.03 -2.30 -0.07 -1.21 0.04 0.00 0.00 177.00 173.43 2dba s GLU 17 N 6.33 0.77 0.41 4.56 0.41 -1.26 -5.17 118.70 124.75 2dba s GLU 17 Ca 0.71 -1.21 -0.07 0.00 -0.41 0.00 0.00 54.97 53.99 2dba s GLU 17 Cb -0.16 -0.22 0.10 0.00 -1.78 0.00 0.00 34.13 32.07 2dba s GLU 17 CO 0.26 -0.00 0.36 -0.35 -0.49 0.00 0.00 175.26 175.05 2dba n PRO 18 N 0.27 -1.75 -3.56 0.39 -0.04 -1.26 -4.99 135.00 124.07 2dba n PRO 18 Ca -0.14 -0.58 -0.39 0.00 -0.04 0.00 0.00 63.50 62.35 2dba n PRO 18 Cb 0.59 -0.55 -0.05 0.00 -0.04 0.00 0.00 33.50 33.46 2dba n PRO 18 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dba s ARG 19 N -3.83 3.46 0.00 0.54 0.52 -1.26 -5.06 118.95 113.32 2dba s ARG 19 Ca 0.24 -3.18 0.00 0.00 -0.52 0.00 0.00 55.73 52.26 2dba s ARG 19 Cb -0.02 -4.10 0.00 0.00 0.52 0.00 0.00 34.95 31.34 2dba s ARG 19 CO 0.18 -1.25 0.00 -0.35 0.02 0.00 0.00 175.30 173.90 2dba n PRO 20 N 2.56 -0.69 -3.82 3.54 -0.04 -1.26 -5.11 135.00 130.19 2dba n PRO 20 Ca 0.21 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.58 2dba n PRO 20 Cb 0.38 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.86 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 -2.97 -0.75 -0.11 0.55 0.00 -1.26 -5.12 121.76 112.10 2dba s ALA 21 Ca 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 2dba s ALA 21 Cb 0.00 0.70 0.05 0.00 0.00 0.00 0.00 23.12 23.87 2dba s ALA 21 CO 0.00 -0.99 0.24 0.99 0.00 0.00 0.00 175.76 176.00 2dba s THR 22 N -2.44 -0.25 -1.00 0.00 2.01 -1.26 -5.09 115.64 107.61 2dba s THR 22 Ca 0.15 0.24 -0.24 0.00 0.31 0.00 0.00 61.69 62.16 2dba s THR 22 Cb -0.05 -0.39 -0.06 0.00 0.01 0.00 0.00 72.50 72.01 2dba s THR 22 CO 0.11 0.10 1.94 -2.16 -0.69 0.00 0.00 174.62 173.93 2dba s PRO 23 N 1.93 2.53 0.00 4.92 0.04 -1.26 -4.81 135.00 138.36 2dba s PRO 23 Ca -0.03 -0.61 0.00 0.00 0.04 0.00 0.00 61.00 60.41 2dba s PRO 23 Cb -0.11 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.30 2dba s PRO 23 CO -0.08 -3.60 0.00 0.41 0.04 0.00 0.00 177.00 173.77 2dba n GLY 24 N 6.48 3.22 2.41 0.56 0.00 -1.26 -5.04 105.19 111.56 2dba n GLY 24 Ca 0.42 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.00 6.28 -3.89 4.61 0.00 -1.26 -4.84 120.51 118.41 2dba n ALA 25 Ca 0.00 -3.43 -0.30 0.00 0.00 0.00 0.00 53.44 49.70 2dba n ALA 25 Cb 0.00 -1.80 -0.15 0.00 0.00 0.00 0.00 19.45 17.50 2dba n ALA 25 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dba s SER 26 N -1.47 4.33 -0.15 0.00 0.01 -1.26 -4.64 113.70 110.53 2dba s SER 26 Ca 0.60 -1.80 -0.07 0.00 1.31 0.00 0.00 55.95 55.99 2dba s SER 26 Cb 0.47 -1.26 0.06 0.00 0.21 0.00 0.00 66.02 65.51 2dba s SER 26 CO -0.09 -0.37 0.34 -0.44 0.41 0.00 0.00 173.24 173.08 2dba s SER 27 N 1.26 -0.23 0.45 2.44 0.01 -1.26 -4.94 113.70 111.43 2dba s SER 27 Ca 0.08 0.74 0.32 0.00 1.31 0.00 0.00 55.95 58.41 2dba s SER 27 Cb -0.18 0.75 1.47 0.00 0.21 0.00 0.00 66.02 68.27 2dba s SER 27 CO -0.15 -0.20 1.61 1.62 0.41 0.00 0.00 173.24 176.53 2dba h VAL 28 N 5.89 0.08 -0.02 3.43 3.04 -1.90 1.05 116.25 127.81 2dba h VAL 28 Ca -0.30 -0.02 -0.01 0.00 -1.01 0.00 0.00 66.70 65.36 2dba h VAL 28 Cb 1.15 0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 30.45 2dba h VAL 28 CO 0.26 0.01 -0.04 -0.08 -1.01 0.00 0.00 177.57 176.71 2dba h GLU 29 N 0.05 0.07 0.00 4.17 4.81 -1.95 -3.11 114.58 118.61 2dba h GLU 29 Ca 0.85 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 60.04 2dba h GLU 29 Cb 2.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 32.13 2dba h GLU 29 CO -0.40 0.59 -0.02 0.37 -0.73 0.00 0.00 179.01 178.82 2dba h GLN 30 N -0.45 0.00 -1.21 1.92 -0.00 -0.33 -3.34 115.11 111.69 2dba h GLN 30 Ca 0.00 0.00 0.38 0.00 -0.00 0.00 0.00 58.65 59.03 2dba h GLN 30 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 27.48 27.98 2dba h GLN 30 CO 0.01 0.00 0.83 1.47 0.00 0.00 0.00 178.83 181.14 2dba n LEU 31 N -2.56 0.08 -0.31 -2.39 -0.00 0.31 -0.35 117.00 111.77 2dba n LEU 31 Ca -0.00 0.86 0.03 0.00 -0.00 0.00 0.00 56.01 56.90 2dba n LEU 31 Cb 0.01 -0.43 0.09 0.00 -0.00 0.00 0.00 43.42 43.10 2dba n LEU 31 CO 0.00 -0.91 0.54 -1.14 -0.00 0.00 0.00 177.39 175.88 2dba n ARG 32 N -3.76 -0.11 -0.18 1.47 0.63 -1.18 0.14 116.66 113.66 2dba n ARG 32 Ca 0.31 1.31 -0.01 0.00 -0.92 0.00 0.00 57.85 58.54 2dba n ARG 32 Cb 1.30 -1.95 0.09 0.00 0.45 0.00 0.00 32.46 32.35 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 0.26 -1.04 -0.14 1.79 -0.94 -0.97 116.57 115.53 2dba h LYS 33 Ca 0.37 -0.02 0.41 0.00 -2.18 0.00 0.00 60.65 59.24 2dba h LYS 33 Cb 0.58 -0.06 -0.17 0.00 -1.58 0.00 0.00 32.23 31.00 2dba h LYS 33 CO -0.86 0.17 0.58 1.49 -1.08 0.00 0.00 179.45 179.75 2dba h GLU 34 N 0.26 0.04 0.56 3.15 4.57 0.98 0.27 114.58 124.41 2dba h GLU 34 Ca 0.29 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.44 2dba h GLU 34 Cb 0.40 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 28.99 2dba h GLU 34 CO -0.36 0.02 -0.27 0.78 -1.18 0.00 0.00 179.01 178.01 2dba h GLY 35 N 0.04 -0.78 0.56 1.92 0.00 -1.15 -3.13 103.07 100.53 2dba h GLY 35 Ca 0.84 0.29 0.00 0.00 0.00 0.00 0.00 47.33 48.46 2dba h GLY 35 CO -0.72 -0.28 -0.38 3.43 0.00 0.00 0.00 176.54 178.59 2dba h ASN 36 N -1.20 -1.03 -1.17 0.19 2.35 -1.02 -0.61 115.58 113.09 2dba h ASN 36 Ca -0.08 0.09 0.44 0.00 -0.55 0.00 0.00 56.30 56.21 2dba h ASN 36 Cb 0.58 0.36 -0.16 0.00 0.05 0.00 0.00 38.32 39.15 2dba h ASN 36 CO 0.13 -0.51 0.70 -0.62 -1.65 0.00 0.00 177.43 175.48 2dba n GLU 37 N -5.47 -0.05 0.07 0.81 -0.58 0.78 0.24 120.64 116.44 2dba n GLU 37 Ca -0.09 1.29 -0.12 0.00 -0.42 0.00 0.00 57.16 57.81 2dba n GLU 37 Cb 0.37 -2.42 -0.13 0.00 -0.57 0.00 0.00 31.44 28.69 2dba n GLU 37 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2dba h LEU 38 N 0.00 0.22 0.20 -4.62 3.38 -1.28 -3.21 115.31 110.00 2dba h LEU 38 Ca 0.85 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.56 2dba h LEU 38 Cb 2.50 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 43.18 2dba h LEU 38 CO -0.60 1.20 -0.09 0.15 0.09 0.00 0.00 178.44 179.19 2dba h PHE 39 N 0.04 -0.24 0.00 1.13 3.57 0.46 0.19 116.94 122.08 2dba h PHE 39 Ca -0.11 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2dba h PHE 39 Cb 1.90 0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.72 2dba h PHE 39 CO 0.03 0.13 0.00 0.36 -2.23 0.00 0.00 178.31 176.61 2dba n LYS 40 N -5.02 0.08 -0.02 1.11 2.85 0.80 -1.17 118.16 116.79 2dba n LYS 40 Ca -0.09 0.24 0.05 0.00 -1.05 0.00 0.00 58.31 57.47 2dba n LYS 40 Cb 0.25 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.01 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 1.65 1.82 3.54 0.00 0.00 -0.31 -5.04 105.19 106.86 2dba n GLY 42 Ca -0.07 -0.49 -0.34 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 0.07 1.99 -0.05 1.61 2.03 -0.10 -4.77 116.55 117.34 2dba n ASP 43 Ca 0.00 -0.54 -0.20 0.00 0.52 0.00 0.00 54.79 54.56 2dba n ASP 43 Cb 0.00 -1.51 -0.13 0.00 -0.72 0.00 0.00 41.12 38.76 2dba n ASP 43 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2dba h TYR 44 N 18.04 0.21 -1.17 -0.67 0.05 -1.93 -3.03 116.97 128.48 2dba h TYR 44 Ca -0.19 -0.16 0.34 0.00 0.05 0.00 0.00 58.73 58.77 2dba h TYR 44 Cb 1.25 -0.01 -0.10 0.00 1.01 0.00 0.00 36.73 38.88 2dba h TYR 44 CO 1.00 1.45 0.77 0.78 -1.05 0.00 0.00 178.16 181.11 2dba h GLY 45 N -0.44 1.05 0.00 3.88 0.00 -1.93 -2.29 103.07 103.33 2dba h GLY 45 Ca -0.28 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 2dba h GLY 45 CO -0.05 -0.20 -0.56 -1.33 0.00 0.00 0.00 176.54 174.41 2dba h GLY 46 N 0.23 0.00 -0.85 4.60 0.00 -1.97 -3.35 103.07 101.74 2dba h GLY 46 Ca 0.67 0.00 0.13 0.00 0.00 0.00 0.00 47.33 48.12 2dba h GLY 46 CO -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 176.54 175.90 2dba n ALA 47 N -3.21 -0.15 0.00 3.60 0.00 -0.94 -0.19 120.51 119.62 2dba n ALA 47 Ca -0.14 0.83 -0.13 0.00 0.00 0.00 0.00 53.44 54.00 2dba n ALA 47 Cb 0.39 -0.35 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.38 -0.79 0.00 7.12 -1.62 -1.81 115.31 116.83 2dba h LEU 48 Ca 0.28 0.18 0.14 0.00 0.13 0.00 0.00 57.88 58.61 2dba h LEU 48 Cb 0.49 0.56 -0.14 0.00 -0.53 0.00 0.00 40.66 41.03 2dba h LEU 48 CO -0.84 -0.44 -0.28 0.00 -0.13 0.00 0.00 178.44 176.75 2dba h ALA 49 N 0.05 0.28 -0.60 1.25 0.00 -0.70 0.24 119.26 119.78 2dba h ALA 49 Ca 0.07 0.26 0.10 0.00 0.00 0.00 0.00 54.91 55.35 2dba h ALA 49 Cb 0.64 0.75 -0.08 0.00 0.00 0.00 0.00 17.79 19.10 2dba h ALA 49 CO -0.40 -0.53 0.17 0.00 0.00 0.00 0.00 179.25 178.49 2dba h ALA 50 N 1.47 0.74 -0.42 0.00 0.00 -0.77 -1.68 119.26 118.61 2dba h ALA 50 Ca 0.33 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.37 2dba h ALA 50 Cb 0.59 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2dba h ALA 50 CO -0.83 -0.26 0.25 1.88 0.00 0.00 0.00 179.25 180.30 2dba h TYR 51 N 0.32 0.47 -0.50 0.00 0.05 0.03 -2.93 116.97 114.41 2dba h TYR 51 Ca 0.31 0.01 0.08 0.00 0.05 0.00 0.00 58.73 59.18 2dba h TYR 51 Cb 0.43 -0.15 -0.10 0.00 1.01 0.00 0.00 36.73 37.92 2dba h TYR 51 CO -0.21 0.28 -0.43 1.15 -1.05 0.00 0.00 178.16 177.90 2dba h THR 52 N 0.51 0.10 0.13 -2.88 2.02 -0.23 -1.97 112.91 110.58 2dba h THR 52 Ca 0.16 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.35 2dba h THR 52 Cb -0.00 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 2dba h THR 52 CO -0.07 0.00 -0.38 1.56 0.37 0.00 0.00 175.52 177.00 2dba h GLN 53 N -0.27 -0.56 -0.91 6.66 4.20 -1.34 0.13 115.11 123.02 2dba h GLN 53 Ca 0.16 0.04 0.34 0.00 0.06 0.00 0.00 58.65 59.25 2dba h GLN 53 Cb 0.57 0.13 -0.17 0.00 0.30 0.00 0.00 27.48 28.31 2dba h GLN 53 CO -0.64 -0.37 0.33 0.00 -0.67 0.00 0.00 178.83 177.49 2dba n ALA 54 N -2.78 0.78 -0.02 3.87 0.00 -0.92 0.12 120.51 121.55 2dba n ALA 54 Ca -0.07 0.95 -0.16 0.00 0.00 0.00 0.00 53.44 54.16 2dba n ALA 54 Cb 0.31 -0.86 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 2dba n ALA 54 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2dba h LEU 55 N 0.00 0.60 -1.17 0.00 3.38 -0.56 -3.24 115.31 114.32 2dba h LEU 55 Ca 0.70 -0.67 0.29 0.00 0.09 0.00 0.00 57.88 58.29 2dba h LEU 55 Cb 1.74 -0.18 -0.12 0.00 0.09 0.00 0.00 40.66 42.20 2dba h LEU 55 CO -0.75 1.17 0.64 1.23 0.09 0.00 0.00 178.44 180.82 2dba h GLY 56 N 0.07 1.64 -1.55 0.83 0.00 0.36 -3.41 103.07 101.01 2dba h GLY 56 Ca -0.04 -0.24 -0.50 0.00 0.00 0.00 0.00 47.33 46.54 2dba h GLY 56 CO 0.11 -0.27 0.37 1.08 0.00 0.00 0.00 176.54 177.82 2dba s LEU 57 N -10.03 3.30 0.00 3.11 1.43 -0.87 -4.90 118.68 110.72 2dba s LEU 57 Ca -0.10 1.79 -0.03 0.00 -1.03 0.00 0.00 54.13 54.76 2dba s LEU 57 Cb 0.27 -4.52 -0.14 0.00 0.03 0.00 0.00 46.19 41.83 2dba s LEU 57 CO 0.80 -1.46 2.78 0.47 0.23 0.00 0.00 176.35 179.18 2dba n ASP 58 N -2.64 5.01 -4.40 2.29 8.00 -1.26 -4.93 116.55 118.62 2dba n ASP 58 Ca 0.09 -2.39 -0.29 0.00 0.71 0.00 0.00 54.79 52.90 2dba n ASP 58 Cb 0.53 -1.23 0.24 0.00 -0.02 0.00 0.00 41.12 40.64 2dba n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dba n ALA 59 N 2.09 -3.46 -0.97 2.24 0.00 -1.26 -4.94 120.51 114.22 2dba n ALA 59 Ca 0.23 -1.27 -0.33 0.00 0.00 0.00 0.00 53.44 52.07 2dba n ALA 59 Cb 0.70 -1.84 0.14 0.00 0.00 0.00 0.00 19.45 18.45 2dba n ALA 59 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dba n THR 60 N -4.88 1.37 0.79 0.00 -2.24 -1.26 -4.83 114.28 103.23 2dba n THR 60 Ca 0.02 -0.14 0.07 0.00 -2.27 0.00 0.00 64.05 61.73 2dba n THR 60 Cb 0.57 -1.12 0.40 0.00 -2.10 0.00 0.00 70.33 68.08 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 -3.53 0.30 -0.04 -0.78 -0.04 -1.26 -2.28 135.00 127.37 2dba n PRO 61 Ca 0.13 0.10 -0.05 0.00 -0.04 0.00 0.00 63.50 63.64 2dba n PRO 61 Cb 0.51 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.20 0.65 -0.00 0.54 1.13 -1.26 -4.27 117.38 112.97 2dba n GLN 62 Ca 0.08 0.11 -0.19 0.00 -1.94 0.00 0.00 57.00 55.07 2dba n GLN 62 Cb 0.10 -1.67 -0.14 0.00 0.11 0.00 0.00 30.24 28.64 2dba n GLN 62 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2dba h ASP 63 N 0.00 0.28 -0.48 1.08 5.19 -1.81 -3.26 116.42 117.42 2dba h ASP 63 Ca -0.32 -0.91 0.14 0.00 -0.62 0.00 0.00 57.03 55.32 2dba h ASP 63 Cb 1.88 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 41.28 2dba h ASP 63 CO 0.04 1.34 0.63 1.56 -3.12 0.00 0.00 179.24 179.70 2dba h GLN 64 N -0.58 0.00 0.04 3.56 7.50 -1.72 -0.97 115.11 122.94 2dba h GLN 64 Ca -0.16 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 58.99 2dba h GLN 64 Cb 1.47 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.00 2dba h GLN 64 CO 0.06 0.00 -0.02 0.00 -1.50 0.00 0.00 178.83 177.37 2dba h ALA 65 N 1.19 -0.08 -1.05 3.87 0.00 -1.74 -2.52 119.26 118.92 2dba h ALA 65 Ca 0.23 -0.01 0.29 0.00 0.00 0.00 0.00 54.91 55.42 2dba h ALA 65 Cb 1.49 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 2dba h ALA 65 CO -0.00 -0.07 0.73 -0.24 0.00 0.00 0.00 179.25 179.66 2dba h VAL 66 N -0.71 0.50 -0.03 0.00 3.04 -1.41 0.22 116.25 117.86 2dba h VAL 66 Ca -0.01 -0.06 -0.06 0.00 -1.01 0.00 0.00 66.70 65.57 2dba h VAL 66 Cb 0.05 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 29.64 2dba h VAL 66 CO 0.01 0.03 -0.21 -0.07 -1.01 0.00 0.00 177.57 176.32 2dba h LEU 67 N 0.17 0.24 -0.28 3.16 3.38 -1.32 -2.86 115.31 117.79 2dba h LEU 67 Ca 0.54 -0.69 0.07 0.00 0.09 0.00 0.00 57.88 57.89 2dba h LEU 67 Cb 1.81 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 42.41 2dba h LEU 67 CO -0.12 0.89 -0.23 0.45 0.09 0.00 0.00 178.44 179.52 2dba h HIS 68 N -0.40 -0.59 -0.70 1.13 3.86 -0.51 0.19 115.15 118.14 2dba h HIS 68 Ca -0.02 0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.28 2dba h HIS 68 Cb 0.89 0.30 -0.05 0.00 1.06 0.00 0.00 27.41 29.62 2dba h HIS 68 CO 0.15 -0.30 0.42 0.07 0.86 0.00 0.00 177.93 179.13 2dba h ARG 69 N -0.21 0.78 0.18 2.45 0.11 -1.49 -2.74 114.38 113.46 2dba h ARG 69 Ca 0.15 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.19 2dba h ARG 69 Cb 0.44 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 31.34 2dba h ARG 69 CO -0.41 0.51 -0.16 -0.91 0.10 0.00 0.00 179.97 179.11 2dba h ASN 70 N 0.80 -0.41 -0.92 0.08 4.21 -1.02 -2.83 115.58 115.50 2dba h ASN 70 Ca 0.30 0.04 0.17 0.00 1.21 0.00 0.00 56.30 58.02 2dba h ASN 70 Cb 0.10 0.14 -0.17 0.00 -1.12 0.00 0.00 38.32 37.26 2dba h ASN 70 CO -0.14 -0.24 -0.27 0.03 -1.29 0.00 0.00 177.43 175.52 2dba h ARG 71 N -0.36 -0.01 -0.86 0.81 3.08 -0.70 0.19 114.38 116.54 2dba h ARG 71 Ca -0.00 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.23 2dba h ARG 71 Cb 0.33 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.22 2dba h ARG 71 CO -0.03 -0.01 -0.17 0.00 -1.07 0.00 0.00 179.97 178.70 2dba n ALA 72 N -3.48 0.25 -0.06 0.04 0.00 -1.07 0.42 120.51 116.61 2dba n ALA 72 Ca 0.13 0.94 -0.08 0.00 0.00 0.00 0.00 53.44 54.42 2dba n ALA 72 Cb 0.45 -0.59 -0.02 0.00 0.00 0.00 0.00 19.45 19.29 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 1.72 -0.19 -0.82 0.00 0.00 -0.73 -0.19 119.26 119.05 2dba h ALA 73 Ca 0.43 0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.60 2dba h ALA 73 Cb 0.71 0.60 -0.15 0.00 0.00 0.00 0.00 17.79 18.95 2dba h ALA 73 CO -0.87 -0.71 -0.12 0.00 0.00 0.00 0.00 179.25 177.55 2dba h HIS 75 N 0.03 -0.58 -0.99 0.00 3.86 -1.13 -2.25 115.15 114.09 2dba h HIS 75 Ca 0.42 -0.01 0.32 0.00 -1.16 0.00 0.00 60.37 59.94 2dba h HIS 75 Cb 0.71 0.19 -0.18 0.00 1.06 0.00 0.00 27.41 29.20 2dba h HIS 75 CO -0.56 -0.26 0.24 -0.07 0.86 0.00 0.00 177.93 178.13 2dba h LEU 76 N -0.92 -0.14 -0.17 2.43 3.38 0.03 0.62 115.31 120.54 2dba h LEU 76 Ca -0.06 0.27 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 2dba h LEU 76 Cb 0.58 0.39 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2dba h LEU 76 CO 0.11 -0.37 -0.09 0.11 0.09 0.00 0.00 178.44 178.29 2dba h LYS 77 N 0.03 0.36 -1.90 1.13 6.56 -1.14 -3.12 116.57 118.49 2dba h LYS 77 Ca 0.69 -0.16 -0.12 0.00 -1.06 0.00 0.00 60.65 60.00 2dba h LYS 77 Cb 1.60 -0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 33.20 2dba h LYS 77 CO -0.84 0.68 0.04 1.28 -2.06 0.00 0.00 179.45 178.55 2dba n LEU 78 N -4.60 5.62 -4.25 2.94 4.77 0.19 -4.77 117.00 116.90 2dba n LEU 78 Ca -0.05 -2.79 -0.32 0.00 -0.03 0.00 0.00 56.01 52.82 2dba n LEU 78 Cb 0.32 -1.16 -0.09 0.00 -2.33 0.00 0.00 43.42 40.15 2dba n LEU 78 CO 0.38 1.19 -0.39 -0.62 -1.33 0.00 0.00 177.39 176.63 2dba n GLU 79 N 1.39 -0.90 -1.64 3.23 1.02 -0.94 -4.81 120.64 117.99 2dba n GLU 79 Ca 0.15 0.09 -0.16 0.00 -0.02 0.00 0.00 57.16 57.23 2dba n GLU 79 Cb 0.58 -3.60 0.07 0.00 -0.02 0.00 0.00 31.44 28.47 2dba n GLU 79 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dba n ASP 80 N -2.61 4.02 -0.21 1.62 8.00 0.59 -4.84 116.55 123.12 2dba n ASP 80 Ca -0.22 -3.78 -0.00 0.00 0.71 0.00 0.00 54.79 51.50 2dba n ASP 80 Cb 0.61 -0.39 0.07 0.00 -0.02 0.00 0.00 41.12 41.39 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 1.86 -0.29 -0.64 1.24 -1.99 -1.83 0.16 116.97 115.48 2dba h TYR 81 Ca 0.26 0.06 0.06 0.00 2.00 0.00 0.00 58.73 61.11 2dba h TYR 81 Cb 1.39 0.23 -0.08 0.00 2.00 0.00 0.00 36.73 40.27 2dba h TYR 81 CO 0.82 -0.26 -0.38 -3.47 -0.00 0.00 0.00 178.16 174.88 2dba n ASP 82 N -5.41 -0.68 -0.12 3.88 -0.08 -1.26 -0.74 116.55 112.14 2dba n ASP 82 Ca 0.08 1.48 -0.11 0.00 -1.51 0.00 0.00 54.79 54.73 2dba n ASP 82 Cb 0.34 -0.32 -0.02 0.00 2.34 0.00 0.00 41.12 43.46 2dba n ASP 82 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2dba h LYS 83 N 0.00 0.63 -0.82 -0.67 1.57 -1.81 -3.19 116.57 112.28 2dba h LYS 83 Ca 0.10 -0.20 0.13 0.00 -1.87 0.00 0.00 60.65 58.81 2dba h LYS 83 Cb 0.26 -0.05 -0.14 0.00 0.08 0.00 0.00 32.23 32.38 2dba h LYS 83 CO -0.60 0.75 -0.37 0.00 -0.57 0.00 0.00 179.45 178.66 2dba h ALA 84 N 0.86 0.06 -0.70 3.86 0.00 0.93 0.12 119.26 124.37 2dba h ALA 84 Ca 0.10 0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.37 2dba h ALA 84 Cb 0.47 0.92 -0.13 0.00 0.00 0.00 0.00 17.79 19.05 2dba h ALA 84 CO 0.02 -0.65 -0.25 1.49 0.00 0.00 0.00 179.25 179.86 2dba h GLU 85 N -0.07 -0.05 0.04 0.00 4.22 -0.92 -1.03 114.58 116.77 2dba h GLU 85 Ca 0.29 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.77 2dba h GLU 85 Cb 0.58 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 2dba h GLU 85 CO -0.85 -0.04 -0.37 1.15 -2.18 0.00 0.00 179.01 176.72 2dba h THR 86 N -0.05 0.23 -0.75 0.32 2.02 -0.88 -2.08 112.91 111.71 2dba h THR 86 Ca 0.31 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.66 2dba h THR 86 Cb 0.55 0.23 -0.14 0.00 -1.74 0.00 0.00 68.15 67.05 2dba h THR 86 CO -0.75 0.00 -0.08 -0.33 0.37 0.00 0.00 175.52 174.73 2dba h GLU 87 N -0.55 0.05 0.06 6.66 4.39 -0.78 -1.03 114.58 123.38 2dba h GLU 87 Ca 0.05 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.76 2dba h GLU 87 Cb 0.62 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.20 2dba h GLU 87 CO -0.27 0.03 -0.54 0.00 -1.16 0.00 0.00 179.01 177.07 2dba h ALA 88 N 1.73 -0.98 -0.63 3.43 0.00 -0.69 -1.93 119.26 120.19 2dba h ALA 88 Ca 0.39 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.32 2dba h ALA 88 Cb 0.65 0.93 -0.09 0.00 0.00 0.00 0.00 17.79 19.28 2dba h ALA 88 CO -0.71 -1.13 0.15 0.66 0.00 0.00 0.00 179.25 178.22 2dba h SER 89 N -0.72 0.03 -1.00 0.00 4.64 -0.93 0.49 113.55 116.06 2dba h SER 89 Ca 0.00 0.12 0.21 0.00 -0.47 0.00 0.00 61.79 61.65 2dba h SER 89 Cb 0.75 0.15 -0.11 0.00 -0.31 0.00 0.00 62.40 62.88 2dba h SER 89 CO -0.33 0.01 0.61 0.11 -0.87 0.00 0.00 176.83 176.37 2dba h LYS 90 N 0.28 0.65 -0.04 4.77 1.57 -0.50 0.19 116.57 123.48 2dba h LYS 90 Ca 0.34 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.85 2dba h LYS 90 Cb 0.51 -0.15 0.02 0.00 0.08 0.00 0.00 32.23 32.69 2dba h LYS 90 CO -0.42 0.43 -0.88 0.00 -0.57 0.00 0.00 179.45 178.02 2dba h ALA 91 N 1.67 0.17 -0.90 3.86 0.00 -0.30 -2.76 119.26 121.00 2dba h ALA 91 Ca 0.60 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2dba h ALA 91 Cb 1.06 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 2dba h ALA 91 CO -0.40 0.61 0.51 0.82 0.00 0.00 0.00 179.25 180.78 2dba h ILE 92 N 0.33 1.26 -0.22 0.00 2.04 0.30 -2.41 117.51 118.82 2dba h ILE 92 Ca -0.10 -0.62 -0.12 0.00 1.00 0.00 0.00 64.86 65.02 2dba h ILE 92 Cb 1.53 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2dba h ILE 92 CO 0.17 0.29 -0.39 1.05 0.00 0.00 0.00 178.15 179.27 2dba h GLU 93 N 1.26 0.50 0.34 2.37 4.11 -0.77 0.20 114.58 122.60 2dba h GLU 93 Ca 0.32 -0.24 -0.00 0.00 0.07 0.00 0.00 59.36 59.50 2dba h GLU 93 Cb 0.01 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2dba h GLU 93 CO -0.05 0.81 -0.48 0.87 0.07 0.00 0.00 179.01 180.23 2dba h LYS 94 N 0.42 -0.82 0.00 1.06 1.79 -1.12 -3.39 116.57 114.50 2dba h LYS 94 Ca 0.04 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2dba h LYS 94 Cb 0.86 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 2dba h LYS 94 CO 0.07 -0.55 -0.33 -3.47 -1.08 0.00 0.00 179.45 174.09 2dba n ASP 95 N -5.28 0.75 0.00 0.86 -0.08 -1.14 -5.06 116.55 106.60 2dba n ASP 95 Ca -0.10 0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 2dba n ASP 95 Cb 0.41 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 43.26 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 1.55 3.51 2.66 0.27 0.00 0.72 -4.96 105.19 108.93 2dba n GLY 96 Ca -0.05 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 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 5.61 2.88 -0.02 0.00 -1.26 -4.83 105.19 107.57 2dba n GLY 97 Ca 0.00 -2.38 -0.29 0.00 0.00 0.00 0.00 46.02 43.35 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 -0.75 4.32 0.45 1.61 1.47 -1.26 -4.93 116.67 117.58 2dba s ASP 98 Ca 0.47 -3.32 0.15 0.00 1.18 0.00 0.00 52.55 51.03 2dba s ASP 98 Cb 0.27 -1.52 1.01 0.00 -0.34 0.00 0.00 42.92 42.35 2dba s ASP 98 CO -0.20 -0.17 2.00 -0.37 0.68 0.00 0.00 175.17 177.10 2dba h VAL 99 N 4.97 1.12 -0.42 2.11 -1.51 -1.94 -3.04 116.25 117.55 2dba h VAL 99 Ca 0.04 -0.60 0.08 0.00 -1.23 0.00 0.00 66.70 64.98 2dba h VAL 99 Cb 0.84 1.33 -0.09 0.00 -2.13 0.00 0.00 31.29 31.23 2dba h VAL 99 CO 0.66 0.17 -0.38 0.11 -1.23 0.00 0.00 177.57 176.90 2dba h LYS 100 N 0.00 -0.28 -0.70 5.19 1.79 -1.96 -0.07 116.57 120.55 2dba h LYS 100 Ca -0.00 0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 2dba h LYS 100 Cb 0.31 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.99 2dba h LYS 100 CO 0.02 -0.18 0.25 0.00 -1.08 0.00 0.00 179.45 178.45 2dba h ALA 101 N 0.60 1.12 -0.56 3.86 0.00 -1.91 -2.85 119.26 119.50 2dba h ALA 101 Ca 0.16 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2dba h ALA 101 Cb 0.57 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 2dba h ALA 101 CO -0.57 0.62 0.14 -0.07 0.00 0.00 0.00 179.25 179.37 2dba h LEU 102 N 1.02 0.06 -0.70 0.00 3.38 -1.04 0.20 115.31 118.24 2dba h LEU 102 Ca 0.23 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.32 2dba h LEU 102 Cb 0.25 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2dba h LEU 102 CO -0.01 0.05 0.44 0.22 0.09 0.00 0.00 178.44 179.23 2dba h TYR 103 N 0.29 0.83 0.09 1.13 3.20 -0.96 -2.91 116.97 118.63 2dba h TYR 103 Ca 0.29 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 2dba h TYR 103 Cb 0.40 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.39 2dba h TYR 103 CO -0.22 0.48 -0.04 0.00 -1.64 0.00 0.00 178.16 176.74 2dba h ARG 104 N 0.87 -0.11 -0.90 1.82 3.08 -1.15 -3.26 114.38 114.72 2dba h ARG 104 Ca 0.28 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.42 2dba h ARG 104 Cb -0.00 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 29.96 2dba h ARG 104 CO -0.10 0.21 -0.51 -2.13 -1.07 0.00 0.00 179.97 176.37 2dba n ARG 105 N -4.99 -0.37 -0.33 0.04 0.63 0.60 0.82 116.66 113.06 2dba n ARG 105 Ca -0.08 1.37 0.18 0.00 -0.92 0.00 0.00 57.85 58.39 2dba n ARG 105 Cb 0.20 -2.01 0.35 0.00 0.45 0.00 0.00 32.46 31.44 2dba n ARG 105 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2dba h SER 106 N 0.00 -0.23 -0.98 6.15 4.64 -1.57 0.65 113.55 122.21 2dba h SER 106 Ca 0.17 0.26 0.33 0.00 -0.47 0.00 0.00 61.79 62.07 2dba h SER 106 Cb 0.39 0.40 -0.16 0.00 -0.31 0.00 0.00 62.40 62.73 2dba h SER 106 CO -0.86 -0.33 0.46 1.56 -0.87 0.00 0.00 176.83 176.79 2dba h GLN 107 N 0.04 0.20 0.03 4.77 1.08 0.32 -0.34 115.11 121.22 2dba h GLN 107 Ca 0.64 -0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.74 2dba h GLN 107 Cb 1.41 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.79 2dba h GLN 107 CO -0.84 0.13 -0.45 0.00 -0.95 0.00 0.00 178.83 176.72 2dba h ALA 108 N 1.88 0.04 -0.61 3.87 0.00 0.25 -3.27 119.26 121.42 2dba h ALA 108 Ca 0.72 -0.69 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2dba h ALA 108 Cb 1.67 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 19.55 2dba h ALA 108 CO -0.68 0.24 -0.50 -0.07 0.00 0.00 0.00 179.25 178.24 2dba h LEU 109 N -0.84 -1.76 -0.58 0.00 3.38 -0.41 0.93 115.31 116.03 2dba h LEU 109 Ca -0.10 0.25 0.11 0.00 0.09 0.00 0.00 57.88 58.23 2dba h LEU 109 Cb 1.22 0.75 -0.09 0.00 0.09 0.00 0.00 40.66 42.63 2dba h LEU 109 CO -0.00 -0.28 0.06 -0.33 0.09 0.00 0.00 178.44 177.98 2dba h GLU 110 N -0.17 0.18 -0.94 1.13 5.08 -1.38 0.90 114.58 119.37 2dba h GLU 110 Ca 0.10 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.59 2dba h GLU 110 Cb 0.44 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.57 2dba h GLU 110 CO -0.67 0.12 0.60 -0.22 -1.00 0.00 0.00 179.01 177.83 2dba h LYS 111 N 0.18 0.76 -0.99 2.33 1.63 -0.96 0.16 116.57 119.69 2dba h LYS 111 Ca 0.30 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 59.93 2dba h LYS 111 Cb 0.47 -0.17 -0.08 0.00 -0.60 0.00 0.00 32.23 31.85 2dba h LYS 111 CO -0.44 0.50 0.16 1.28 -3.45 0.00 0.00 179.45 177.50 2dba n LEU 112 N -4.60 3.86 -2.51 5.20 4.77 0.14 -4.81 117.00 119.05 2dba n LEU 112 Ca 0.19 -1.99 -0.17 0.00 -0.03 0.00 0.00 56.01 54.01 2dba n LEU 112 Cb 0.45 -0.59 -0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2dba n LEU 112 CO 0.28 0.62 -0.19 0.61 -1.33 0.00 0.00 177.39 177.38 2dba n GLY 113 N 0.05 -0.50 2.68 -0.72 0.00 0.57 -4.87 105.19 102.40 2dba n GLY 113 Ca 0.16 0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.01 2.97 -0.07 1.61 1.74 -0.20 -4.74 116.66 114.96 2dba n ARG 114 Ca -0.18 -3.79 0.13 0.00 -0.77 0.00 0.00 57.85 53.24 2dba n ARG 114 Cb 0.64 -2.27 0.53 0.00 -1.02 0.00 0.00 32.46 30.34 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 2.72 0.31 -0.88 0.55 3.38 -1.81 0.17 115.31 119.76 2dba h LEU 115 Ca 0.49 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.40 2dba h LEU 115 Cb 0.44 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2dba h LEU 115 CO 1.27 0.18 0.08 0.44 0.09 0.00 0.00 178.44 180.50 2dba h ASP 116 N 0.34 0.87 0.12 -0.43 3.32 -1.96 -3.10 116.42 115.58 2dba h ASP 116 Ca 0.27 -0.19 -0.16 0.00 0.02 0.00 0.00 57.03 56.97 2dba h ASP 116 Cb 0.61 -0.23 0.02 0.00 0.22 0.00 0.00 39.33 39.94 2dba h ASP 116 CO -0.07 0.88 -0.73 1.56 -1.72 0.00 0.00 179.24 179.16 2dba h GLN 117 N 0.86 0.25 -0.98 3.56 7.50 -1.47 -3.30 115.11 121.53 2dba h GLN 117 Ca 0.18 -0.43 0.26 0.00 0.50 0.00 0.00 58.65 59.16 2dba h GLN 117 Cb 0.40 0.16 -0.18 0.00 0.05 0.00 0.00 27.48 27.90 2dba h GLN 117 CO 0.01 1.20 0.01 0.00 -1.50 0.00 0.00 178.83 178.55 2dba h ALA 118 N 0.06 1.12 0.72 3.87 0.00 -0.72 0.53 119.26 124.85 2dba h ALA 118 Ca -0.13 0.34 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2dba h ALA 118 Cb 1.55 0.61 0.01 0.00 0.00 0.00 0.00 17.79 19.96 2dba h ALA 118 CO 0.12 -0.55 -0.35 0.28 0.00 0.00 0.00 179.25 178.75 2dba h VAL 119 N 0.01 0.21 -0.86 0.00 2.07 -1.66 -2.03 116.25 113.99 2dba h VAL 119 Ca 0.59 -0.16 0.22 0.00 0.82 0.00 0.00 66.70 68.17 2dba h VAL 119 Cb 1.18 0.25 -0.14 0.00 -1.52 0.00 0.00 31.29 31.06 2dba h VAL 119 CO -0.93 0.01 0.24 -0.07 0.02 0.00 0.00 177.57 176.85 2dba h LEU 120 N -1.10 0.02 0.49 2.57 3.38 -1.05 0.18 115.31 119.81 2dba h LEU 120 Ca -0.10 0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2dba h LEU 120 Cb 0.77 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2dba h LEU 120 CO 0.16 -0.13 -0.24 -0.78 0.09 0.00 0.00 178.44 177.55 2dba h ASP 121 N 0.23 -0.56 -0.67 -0.43 3.58 -0.95 -2.96 116.42 114.66 2dba h ASP 121 Ca 0.53 0.01 0.07 0.00 0.42 0.00 0.00 57.03 58.07 2dba h ASP 121 Cb 1.04 0.15 -0.06 0.00 1.72 0.00 0.00 39.33 42.18 2dba h ASP 121 CO -0.63 -0.39 0.35 -0.07 -2.88 0.00 0.00 179.24 175.62 2dba h LEU 122 N -0.68 0.48 -1.66 2.28 3.38 -0.38 -1.61 115.31 117.12 2dba h LEU 122 Ca -0.07 0.05 0.49 0.00 0.09 0.00 0.00 57.88 58.44 2dba h LEU 122 Cb 0.52 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 2dba h LEU 122 CO 0.11 0.30 1.18 0.00 0.09 0.00 0.00 178.44 180.12 2dba n GLN 123 N -4.84 -0.01 -0.03 1.13 6.02 0.48 0.24 117.38 120.37 2dba n GLN 123 Ca 0.09 0.98 -0.04 0.00 -0.01 0.00 0.00 57.00 58.02 2dba n GLN 123 Cb 0.22 -2.21 -0.03 0.00 1.02 0.00 0.00 30.24 29.24 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 -0.06 -0.89 -1.09 -0.00 -1.37 -2.73 114.38 108.24 2dba h ARG 124 Ca 0.83 0.00 0.26 0.00 -0.50 0.00 0.00 59.98 60.57 2dba h ARG 124 Cb 3.21 0.01 -0.04 0.00 0.00 0.00 0.00 29.97 33.16 2dba h ARG 124 CO -0.08 0.19 0.74 0.00 0.00 0.00 0.00 179.97 180.82 2dba h VAL 126 N 0.00 1.23 0.08 0.00 2.07 -1.23 -3.08 116.25 115.32 2dba h VAL 126 Ca 0.42 -2.89 -0.00 0.00 0.82 0.00 0.00 66.70 65.05 2dba h VAL 126 Cb 1.90 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 34.25 2dba h VAL 126 CO -0.00 0.70 -0.04 -1.28 0.02 0.00 0.00 177.57 176.97 2dba h SER 127 N 0.00 -0.09 -0.27 0.57 0.87 0.89 -3.31 113.55 112.21 2dba h SER 127 Ca -0.09 -0.28 0.08 0.00 -1.23 0.00 0.00 61.79 60.26 2dba h SER 127 Cb 1.74 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.72 2dba h SER 127 CO 0.10 0.51 0.20 -0.07 -0.53 0.00 0.00 176.83 177.04 2dba h LEU 128 N -0.99 0.00 -7.72 2.23 3.38 -1.12 -3.33 115.31 107.76 2dba h LEU 128 Ca -0.01 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.29 2dba h LEU 128 Cb 0.37 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.73 2dba h LEU 128 CO 0.02 0.00 -0.69 -1.61 0.09 0.00 0.00 178.44 176.25 2dba s GLU 129 N -5.02 1.58 0.19 1.13 0.41 -1.16 -4.97 118.70 110.86 2dba s GLU 129 Ca -0.05 -1.87 -0.05 0.00 -0.41 0.00 0.00 54.97 52.59 2dba s GLU 129 Cb 0.18 -3.28 0.11 0.00 -1.78 0.00 0.00 34.13 29.37 2dba s GLU 129 CO 0.69 -0.96 1.54 -1.00 -0.49 0.00 0.00 175.26 175.04 2dba h PRO 130 N 7.69 0.69 0.04 0.39 0.13 -1.69 -3.31 132.00 135.94 2dba h PRO 130 Ca -0.06 -0.37 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2dba h PRO 130 Cb 1.03 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2dba h PRO 130 CO 0.55 0.98 -0.02 0.87 -0.23 0.00 0.00 178.00 180.15 2dba h LYS 131 N 0.57 -0.05 -4.74 0.86 1.57 -1.93 -3.43 116.57 109.41 2dba h LYS 131 Ca 0.04 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.44 2dba h LYS 131 Cb 0.95 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 33.17 2dba h LYS 131 CO 0.09 0.62 1.85 0.09 -0.57 0.00 0.00 179.45 181.53 2dba n ASN 132 N -4.74 -0.87 0.05 0.86 4.13 -1.25 -4.71 115.26 108.73 2dba n ASN 132 Ca -0.08 -0.30 -0.20 0.00 1.68 0.00 0.00 54.58 55.68 2dba n ASN 132 Cb 0.34 -0.62 -0.12 0.00 -1.54 0.00 0.00 39.78 37.83 2dba n ASN 132 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 2dba h LYS 133 N 10.74 0.51 -1.28 3.52 3.64 -1.88 -3.28 116.57 128.54 2dba h LYS 133 Ca 0.01 -0.64 0.41 0.00 -1.27 0.00 0.00 60.65 59.16 2dba h LYS 133 Cb 1.13 0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 33.06 2dba h LYS 133 CO 1.47 1.26 0.87 0.28 -2.27 0.00 0.00 179.45 181.06 2dba n VAL 134 N -4.00 -0.13 -0.03 2.00 0.31 -1.26 0.18 118.33 115.40 2dba n VAL 134 Ca -0.12 1.35 -0.14 0.00 -0.01 0.00 0.00 64.34 65.42 2dba n VAL 134 Cb 0.84 -2.22 -0.10 0.00 -0.91 0.00 0.00 33.84 31.45 2dba n VAL 134 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2dba h PHE 135 N 0.00 0.12 -0.40 3.52 0.04 -1.93 -2.38 116.94 115.91 2dba h PHE 135 Ca 0.72 -0.05 0.05 0.00 2.80 0.00 0.00 57.97 61.49 2dba h PHE 135 Cb 2.55 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 40.63 2dba h PHE 135 CO -0.00 0.72 0.14 1.96 -0.60 0.00 0.00 178.31 180.53 2dba h GLN 136 N -0.51 0.29 -0.32 1.51 4.20 0.18 0.26 115.11 120.73 2dba h GLN 136 Ca -0.00 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 2dba h GLN 136 Cb 0.72 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 2dba h GLN 136 CO 0.02 0.19 0.00 1.05 -0.67 0.00 0.00 178.83 179.42 2dba h GLU 137 N 0.30 0.48 -0.17 1.46 4.11 -1.35 -2.69 114.58 116.73 2dba h GLU 137 Ca 0.19 -0.10 -0.22 0.00 0.07 0.00 0.00 59.36 59.30 2dba h GLU 137 Cb 0.17 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.36 2dba h GLU 137 CO -0.19 0.51 -0.75 0.00 0.07 0.00 0.00 179.01 178.65 2dba h ALA 138 N 1.54 0.35 0.07 1.06 0.00 -0.73 -2.30 119.26 119.24 2dba h ALA 138 Ca 0.10 -0.59 0.02 0.00 0.00 0.00 0.00 54.91 54.44 2dba h ALA 138 Cb 0.30 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2dba h ALA 138 CO 0.01 0.69 -0.23 1.25 0.00 0.00 0.00 179.25 180.97 2dba h LEU 139 N 0.54 -0.65 -1.06 0.00 7.12 -0.21 -1.59 115.31 119.46 2dba h LEU 139 Ca -0.04 0.08 -0.08 0.00 0.13 0.00 0.00 57.88 57.97 2dba h LEU 139 Cb 1.38 0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 41.75 2dba h LEU 139 CO 0.15 -0.30 -0.15 0.08 -0.13 0.00 0.00 178.44 178.09 2dba h ARG 140 N -0.39 0.50 -0.87 1.25 0.11 -1.58 0.36 114.38 113.75 2dba h ARG 140 Ca 0.04 -0.15 0.05 0.00 0.10 0.00 0.00 59.98 60.02 2dba h ARG 140 Cb 0.44 -0.05 -0.05 0.00 1.11 0.00 0.00 29.97 31.42 2dba h ARG 140 CO -0.16 0.64 0.57 -0.91 0.10 0.00 0.00 179.97 180.21 2dba h ASN 141 N 0.46 0.90 0.40 0.08 2.35 -0.79 0.26 115.58 119.23 2dba h ASN 141 Ca 0.08 -0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.54 2dba h ASN 141 Cb 0.53 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.65 2dba h ASN 141 CO 0.03 0.59 -1.83 2.30 -1.65 0.00 0.00 177.43 176.88 2dba n ILE 142 N -4.47 1.48 -0.12 2.81 -5.35 -0.66 -4.22 119.36 108.83 2dba n ILE 142 Ca 0.12 -0.79 -0.12 0.00 -0.27 0.00 0.00 62.75 61.69 2dba n ILE 142 Cb 0.16 -0.85 -0.01 0.00 -1.74 0.00 0.00 39.64 37.20 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 0.99 -1.49 7.28 0.87 0.08 -3.46 113.55 117.82 2dba h SER 143 Ca -0.32 -0.43 -0.57 0.00 -1.23 0.00 0.00 61.79 59.24 2dba h SER 143 Cb 1.99 -0.28 0.14 0.00 -0.44 0.00 0.00 62.40 63.82 2dba h SER 143 CO 0.06 1.23 -0.84 0.61 -0.53 0.00 0.00 176.83 177.35 2dba n GLY 144 N 0.05 -2.44 3.72 5.77 0.00 0.88 -4.82 105.19 108.35 2dba n GLY 144 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2dba n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dba s PRO 145 N -0.91 4.34 0.07 1.61 0.04 -1.26 -5.03 135.00 133.86 2dba s PRO 145 Ca 0.54 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.65 2dba s PRO 145 Cb -0.59 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 30.66 2dba s PRO 145 CO 0.57 -0.39 0.01 -1.54 0.04 0.00 0.00 177.00 175.69 2dba s SER 146 N 0.97 5.11 -0.47 6.66 1.04 -1.26 -5.08 113.70 120.66 2dba s SER 146 Ca 0.63 -0.11 -0.20 0.00 0.48 0.00 0.00 55.95 56.75 2dba s SER 146 Cb -0.36 -1.27 0.04 0.00 0.10 0.00 0.00 66.02 64.53 2dba s SER 146 CO 0.31 0.20 0.62 -0.94 0.98 0.00 0.00 173.24 174.41 2dba s SER 147 N -2.13 6.26 0.00 7.02 1.04 -1.26 -5.29 113.70 119.34 2dba s SER 147 Ca 0.25 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.02 2dba s SER 147 Cb -0.12 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2dba s SER 147 CO 0.17 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.18