#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 -0.24 0.22 1.61 1.04 -1.26 -5.19 113.70 109.88 2dba s SER 2 Ca 0.00 -0.32 -0.08 0.00 0.48 0.00 0.00 55.95 56.03 2dba s SER 2 Cb 0.00 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 2dba s SER 2 CO 0.00 -0.89 0.32 -0.55 0.98 0.00 0.00 173.24 173.10 2dba s SER 3 N -2.84 0.02 0.00 7.02 0.15 -1.26 -5.17 113.70 111.62 2dba s SER 3 Ca 0.10 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 55.65 2dba s SER 3 Cb -0.02 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2dba s SER 3 CO -0.00 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.06 2dba n GLY 4 N -0.31 -1.06 3.58 9.45 0.00 -1.26 -5.18 105.19 110.41 2dba n GLY 4 Ca -0.01 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.00 -0.38 -0.08 1.61 1.04 -1.26 -5.18 113.70 105.45 2dba s SER 5 Ca 0.00 0.47 -0.11 0.00 0.48 0.00 0.00 55.95 56.79 2dba s SER 5 Cb 0.00 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.53 2dba s SER 5 CO 0.00 -0.32 0.29 -0.44 0.98 0.00 0.00 173.24 173.75 2dba s SER 6 N -0.92 -0.25 0.00 7.02 0.01 -1.26 -5.06 113.70 113.24 2dba s SER 6 Ca -0.01 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.64 2dba s SER 6 Cb -0.01 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2dba s SER 6 CO 0.01 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2dba n GLY 7 N 2.35 -1.68 3.84 3.44 0.00 -1.26 -5.01 105.19 106.87 2dba n GLY 7 Ca -0.16 0.61 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 2dba n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2dba n MET 8 N 0.00 -1.30 -0.86 1.61 3.85 -1.26 -4.74 117.12 114.43 2dba n MET 8 Ca 0.00 0.10 -0.07 0.00 -1.00 0.00 0.00 57.70 56.72 2dba n MET 8 Cb 0.00 -4.38 0.23 0.00 -1.05 0.00 0.00 33.22 28.02 2dba n MET 8 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2dba n THR 9 N -3.45 2.50 -4.12 3.17 -2.24 -1.26 -4.92 114.28 103.96 2dba n THR 9 Ca 0.08 -1.33 -0.31 0.00 -2.27 0.00 0.00 64.05 60.22 2dba n THR 9 Cb 0.44 -0.46 -0.07 0.00 -2.10 0.00 0.00 70.33 68.13 2dba n THR 9 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2dba s VAL 10 N -2.52 4.27 -0.07 2.28 1.01 -1.26 -5.12 120.40 118.99 2dba s VAL 10 Ca 0.45 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.64 2dba s VAL 10 Cb 0.36 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.73 2dba s VAL 10 CO 0.11 0.18 -0.12 -0.44 0.00 0.00 0.00 175.10 174.82 2dba s SER 11 N -2.18 1.83 0.00 3.32 0.01 -1.26 -5.11 113.70 110.31 2dba s SER 11 Ca 0.26 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2dba s SER 11 Cb -0.12 -0.84 0.00 0.00 0.21 0.00 0.00 66.02 65.27 2dba s SER 11 CO 0.18 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.46 2dba n GLY 12 N 3.91 2.77 0.13 3.44 0.00 -1.26 -5.04 105.19 109.14 2dba n GLY 12 Ca -0.22 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 0.32 0.00 1.61 0.13 -2.06 -3.50 132.00 128.49 2dba h PRO 13 Ca 0.00 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 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 0.71 0.00 0.41 -0.23 0.00 0.00 178.00 178.89 2dba n GLY 14 N 0.20 0.51 3.64 1.56 0.00 -1.26 -4.99 105.19 104.85 2dba n GLY 14 Ca -0.06 -2.18 -0.06 0.00 0.00 0.00 0.00 46.02 43.71 2dba n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dba s THR 15 N -0.68 0.00 1.11 2.61 -1.32 -1.26 -5.18 115.64 110.92 2dba s THR 15 Ca 0.00 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.32 2dba s THR 15 Cb 0.00 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.23 2dba s THR 15 CO 0.00 0.00 1.10 -2.16 -2.21 0.00 0.00 174.62 171.35 2dba s PRO 16 N -0.04 -0.50 -0.16 7.08 0.04 -1.26 -5.09 135.00 135.06 2dba s PRO 16 Ca 0.05 0.19 -0.28 0.00 0.04 0.00 0.00 61.00 61.00 2dba s PRO 16 Cb -0.04 -1.66 0.09 0.00 0.04 0.00 0.00 34.50 32.93 2dba s PRO 16 CO -0.10 -3.29 0.80 -1.83 0.04 0.00 0.00 177.00 172.63 2dba s GLU 17 N -5.20 0.83 0.94 4.56 -1.05 -1.26 -5.17 118.70 112.36 2dba s GLU 17 Ca 0.68 0.47 -0.12 0.00 -0.15 0.00 0.00 54.97 55.86 2dba s GLU 17 Cb -0.14 0.40 0.16 0.00 -0.44 0.00 0.00 34.13 34.11 2dba s GLU 17 CO 0.57 -0.21 1.09 -1.25 0.95 0.00 0.00 175.26 176.42 2dba s PRO 18 N -0.58 0.87 -0.06 -4.83 0.04 -1.26 -5.09 135.00 124.10 2dba s PRO 18 Ca -0.04 0.68 -0.10 0.00 0.04 0.00 0.00 61.00 61.58 2dba s PRO 18 Cb -0.02 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.76 2dba s PRO 18 CO 0.04 -2.47 0.24 -0.98 0.04 0.00 0.00 177.00 173.87 2dba s ARG 19 N -4.95 0.43 0.76 4.56 3.03 -1.26 -5.11 118.95 116.42 2dba s ARG 19 Ca 0.64 0.07 -0.11 0.00 2.03 0.00 0.00 55.73 58.36 2dba s ARG 19 Cb -0.18 0.19 0.05 0.00 -1.03 0.00 0.00 34.95 33.98 2dba s ARG 19 CO 0.57 -0.09 1.09 -1.25 -1.13 0.00 0.00 175.30 174.50 2dba s PRO 20 N -0.53 2.29 -0.60 3.89 0.04 -1.26 -5.02 135.00 133.81 2dba s PRO 20 Ca -0.06 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.20 2dba s PRO 20 Cb -0.04 -1.90 0.15 0.00 0.04 0.00 0.00 34.50 32.75 2dba s PRO 20 CO 0.02 -1.62 0.36 0.00 0.04 0.00 0.00 177.00 175.80 2dba s ALA 21 N -2.86 3.52 -0.26 8.56 0.00 -1.26 -4.98 121.76 124.47 2dba s ALA 21 Ca 0.62 -3.46 -0.26 0.00 0.00 0.00 0.00 51.96 48.85 2dba s ALA 21 Cb -0.17 -2.23 0.13 0.00 0.00 0.00 0.00 23.12 20.85 2dba s ALA 21 CO 0.55 -2.06 1.06 -0.08 0.00 0.00 0.00 175.76 175.24 2dba s THR 22 N -0.66 0.00 0.75 0.00 -1.32 -1.26 -5.17 115.64 107.99 2dba s THR 22 Ca 0.20 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.56 2dba s THR 22 Cb -0.19 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.85 2dba s THR 22 CO -0.06 0.00 1.10 -2.16 -2.21 0.00 0.00 174.62 171.29 2dba s PRO 23 N -0.03 2.34 0.00 7.08 0.04 -1.26 -3.83 135.00 139.34 2dba s PRO 23 Ca 0.03 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.28 2dba s PRO 23 Cb -0.04 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2dba s PRO 23 CO -0.06 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.81 2dba n GLY 24 N -1.07 2.58 3.53 0.56 0.00 -1.26 -4.97 105.19 104.56 2dba n GLY 24 Ca 0.09 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 2dba n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dba n ALA 25 N 0.00 0.62 -1.09 4.61 0.00 -1.25 -4.76 120.51 118.64 2dba n ALA 25 Ca 0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 53.44 52.37 2dba n ALA 25 Cb 0.00 -2.87 -0.15 0.00 0.00 0.00 0.00 19.45 16.43 2dba n ALA 25 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dba n SER 26 N 13.45 5.53 -4.65 0.00 7.64 -1.26 -3.74 113.62 130.60 2dba n SER 26 Ca 0.53 -2.60 -0.37 0.00 1.01 0.00 0.00 58.87 57.44 2dba n SER 26 Cb 0.32 -1.39 -0.09 0.00 -1.01 0.00 0.00 64.21 62.03 2dba n SER 26 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dba s SER 27 N 1.74 6.15 0.28 6.43 0.01 -1.26 -4.84 113.70 122.21 2dba s SER 27 Ca 0.66 0.16 0.16 0.00 1.31 0.00 0.00 55.95 58.23 2dba s SER 27 Cb 0.33 -2.13 1.02 0.00 0.21 0.00 0.00 66.02 65.45 2dba s SER 27 CO -0.04 0.01 1.21 0.55 0.41 0.00 0.00 173.24 175.38 2dba n VAL 28 N 4.46 -0.32 -0.12 3.43 3.14 -1.26 0.21 118.33 127.88 2dba n VAL 28 Ca -0.13 1.55 -0.07 0.00 -2.96 0.00 0.00 64.34 62.73 2dba n VAL 28 Cb 0.52 -2.52 0.01 0.00 -1.06 0.00 0.00 33.84 30.79 2dba n VAL 28 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 2dba h GLU 29 N 0.00 0.41 0.00 1.45 4.11 -1.92 -2.22 114.58 116.41 2dba h GLU 29 Ca 0.65 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 60.05 2dba h GLU 29 Cb 1.70 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.86 2dba h GLU 29 CO -0.59 0.27 -0.09 0.94 0.07 0.00 0.00 179.01 179.61 2dba n GLN 30 N -4.90 0.08 -0.24 1.06 7.27 0.57 -4.36 117.38 116.86 2dba n GLN 30 Ca 0.01 0.28 0.18 0.00 0.07 0.00 0.00 57.00 57.54 2dba n GLN 30 Cb 0.07 -0.90 0.34 0.00 2.41 0.00 0.00 30.24 32.17 2dba n GLN 30 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 2dba n LEU 31 N -2.67 0.12 -0.29 1.69 -0.00 0.11 0.45 117.00 116.41 2dba n LEU 31 Ca -0.01 1.20 0.07 0.00 -0.00 0.00 0.00 56.01 57.27 2dba n LEU 31 Cb 0.05 -0.53 0.15 0.00 -0.00 0.00 0.00 43.42 43.09 2dba n LEU 31 CO 0.02 -1.30 0.58 -1.14 -0.00 0.00 0.00 177.39 175.55 2dba n ARG 32 N -4.76 -0.07 -0.28 1.47 0.63 -0.83 0.16 116.66 112.97 2dba n ARG 32 Ca 0.23 1.28 0.11 0.00 -0.92 0.00 0.00 57.85 58.55 2dba n ARG 32 Cb 0.78 -1.94 0.26 0.00 0.45 0.00 0.00 32.46 32.01 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 0.24 -0.93 -0.14 6.56 -0.24 0.11 116.57 122.16 2dba h LYS 33 Ca 0.43 -0.01 0.27 0.00 -1.06 0.00 0.00 60.65 60.28 2dba h LYS 33 Cb 0.72 -0.05 -0.16 0.00 -0.57 0.00 0.00 32.23 32.17 2dba h LYS 33 CO -0.83 0.16 0.22 1.49 -2.06 0.00 0.00 179.45 178.42 2dba h GLU 34 N 0.24 0.11 0.46 3.15 4.81 0.14 0.20 114.58 123.69 2dba h GLU 34 Ca 0.51 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.71 2dba h GLU 34 Cb 0.98 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 2dba h GLU 34 CO -0.61 0.07 -0.30 0.78 -0.73 0.00 0.00 179.01 178.23 2dba h GLY 35 N 0.11 -0.95 0.46 1.92 0.00 -0.85 -1.50 103.07 102.27 2dba h GLY 35 Ca 0.61 0.39 0.08 0.00 0.00 0.00 0.00 47.33 48.42 2dba h GLY 35 CO -0.76 -0.32 0.17 3.43 0.00 0.00 0.00 176.54 179.06 2dba h ASN 36 N -0.72 0.15 -0.93 0.19 2.35 -1.34 -0.91 115.58 114.38 2dba h ASN 36 Ca -0.06 0.07 0.18 0.00 -0.55 0.00 0.00 56.30 55.94 2dba h ASN 36 Cb 0.58 0.06 -0.10 0.00 0.05 0.00 0.00 38.32 38.91 2dba h ASN 36 CO 0.05 0.11 0.51 -0.33 -1.65 0.00 0.00 177.43 176.12 2dba h GLU 37 N 0.34 0.63 -0.01 0.81 5.08 -0.57 0.23 114.58 121.10 2dba h GLU 37 Ca 0.26 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.43 2dba h GLU 37 Cb 0.30 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2dba h GLU 37 CO -0.28 0.42 -0.70 -0.07 -1.00 0.00 0.00 179.01 177.39 2dba h LEU 38 N 0.65 0.05 -0.04 1.33 3.38 -0.15 -3.21 115.31 117.33 2dba h LEU 38 Ca 0.53 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 2dba h LEU 38 Cb 0.83 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2dba h LEU 38 CO -0.40 0.73 -0.03 0.15 0.09 0.00 0.00 178.44 178.98 2dba h PHE 39 N 0.03 0.10 0.00 1.13 3.57 0.61 -0.84 116.94 121.55 2dba h PHE 39 Ca -0.01 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2dba h PHE 39 Cb 1.23 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.95 2dba h PHE 39 CO 0.00 0.53 0.00 0.36 -2.23 0.00 0.00 178.31 176.98 2dba n LYS 40 N -4.79 0.01 -0.02 1.11 2.85 0.23 -0.78 118.16 116.77 2dba n LYS 40 Ca -0.08 0.42 0.06 0.00 -1.05 0.00 0.00 58.31 57.66 2dba n LYS 40 Cb 0.27 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.02 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 1.64 1.28 3.55 0.00 0.00 0.04 -5.03 105.19 106.66 2dba n GLY 42 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 2dba n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dba n ASP 43 N 0.00 1.73 0.01 1.61 9.92 -0.42 -4.75 116.55 124.65 2dba n ASP 43 Ca 0.00 -1.03 -0.18 0.00 -0.53 0.00 0.00 54.79 53.05 2dba n ASP 43 Cb 0.00 -1.54 -0.14 0.00 -0.64 0.00 0.00 41.12 38.80 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 15.03 0.37 -1.01 1.24 0.05 -1.93 -2.58 116.97 128.14 2dba h TYR 44 Ca -0.08 -0.26 0.24 0.00 0.05 0.00 0.00 58.73 58.67 2dba h TYR 44 Cb 1.12 -0.02 -0.11 0.00 1.01 0.00 0.00 36.73 38.73 2dba h TYR 44 CO 1.10 1.19 0.62 0.78 -1.05 0.00 0.00 178.16 180.81 2dba h GLY 45 N -0.55 1.62 0.00 3.88 0.00 -1.94 -2.51 103.07 103.57 2dba h GLY 45 Ca -0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 2dba h GLY 45 CO 0.10 -0.17 -0.23 -1.33 0.00 0.00 0.00 176.54 174.91 2dba h GLY 46 N 0.55 0.00 -0.82 4.60 0.00 -1.96 -3.29 103.07 102.14 2dba h GLY 46 Ca 0.61 0.00 0.16 0.00 0.00 0.00 0.00 47.33 48.11 2dba h GLY 46 CO -0.39 0.00 -0.21 0.00 0.00 0.00 0.00 176.54 175.95 2dba n ALA 47 N -2.86 0.20 0.20 3.60 0.00 -0.97 0.36 120.51 121.03 2dba n ALA 47 Ca -0.10 0.90 -0.15 0.00 0.00 0.00 0.00 53.44 54.09 2dba n ALA 47 Cb 0.36 -0.54 -0.07 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.52 -0.91 0.00 7.12 -1.61 -2.73 115.31 116.66 2dba h LEU 48 Ca 0.39 0.03 0.17 0.00 0.13 0.00 0.00 57.88 58.60 2dba h LEU 48 Cb 0.60 0.15 -0.16 0.00 -0.53 0.00 0.00 40.66 40.72 2dba h LEU 48 CO -0.85 -0.33 -0.29 0.00 -0.13 0.00 0.00 178.44 176.84 2dba h ALA 49 N 0.13 0.39 0.11 1.25 0.00 -0.16 0.11 119.26 121.09 2dba h ALA 49 Ca -0.03 0.31 0.02 0.00 0.00 0.00 0.00 54.91 55.21 2dba h ALA 49 Cb 0.43 0.81 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2dba h ALA 49 CO 0.03 -0.50 -0.25 0.00 0.00 0.00 0.00 179.25 178.54 2dba h ALA 50 N 1.65 -0.41 -0.84 0.00 0.00 -1.22 -1.66 119.26 116.77 2dba h ALA 50 Ca 0.39 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.43 2dba h ALA 50 Cb 0.64 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 2dba h ALA 50 CO -0.94 -0.78 0.55 1.88 0.00 0.00 0.00 179.25 179.97 2dba h TYR 51 N -0.45 0.60 0.79 0.00 0.05 -0.59 -2.24 116.97 115.13 2dba h TYR 51 Ca 0.03 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.79 2dba h TYR 51 Cb 0.48 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.03 2dba h TYR 51 CO -0.24 0.20 -0.43 1.15 -1.05 0.00 0.00 178.16 177.79 2dba h THR 52 N 0.49 0.12 -0.31 -2.88 2.02 -0.06 -2.24 112.91 110.04 2dba h THR 52 Ca 0.43 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.68 2dba h THR 52 Cb 0.92 0.12 -0.07 0.00 -1.74 0.00 0.00 68.15 67.38 2dba h THR 52 CO -0.16 0.00 -0.18 1.56 0.37 0.00 0.00 175.52 177.10 2dba h GLN 53 N -1.13 -0.14 -0.71 6.66 4.20 -1.07 -0.48 115.11 122.44 2dba h GLN 53 Ca -0.11 0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.77 2dba h GLN 53 Cb 0.89 0.03 -0.12 0.00 0.30 0.00 0.00 27.48 28.58 2dba h GLN 53 CO 0.14 -0.09 0.01 0.00 -0.67 0.00 0.00 178.83 178.22 2dba h ALA 54 N 1.05 0.73 0.00 3.87 0.00 -1.36 0.49 119.26 124.04 2dba h ALA 54 Ca 0.16 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 2dba h ALA 54 Cb 0.39 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2dba h ALA 54 CO -0.40 -0.41 -0.30 -0.07 0.00 0.00 0.00 179.25 178.07 2dba h LEU 55 N 0.12 0.00 -2.70 0.00 3.38 -0.66 -2.93 115.31 112.51 2dba h LEU 55 Ca 0.38 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.23 2dba h LEU 55 Cb 0.66 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.34 2dba h LEU 55 CO -0.61 0.30 0.16 0.61 0.09 0.00 0.00 178.44 178.99 2dba n GLY 56 N -0.28 2.78 3.17 0.83 0.00 0.17 -4.84 105.19 107.02 2dba n GLY 56 Ca -0.01 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 2dba n GLY 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dba n LEU 57 N 0.40 0.00 -3.46 0.99 4.77 -1.11 -5.00 117.00 113.60 2dba n LEU 57 Ca 0.14 -3.07 -0.40 0.00 -0.03 0.00 0.00 56.01 52.64 2dba n LEU 57 Cb 0.69 1.44 -0.01 0.00 -2.33 0.00 0.00 43.42 43.21 2dba n LEU 57 CO 0.15 -0.50 2.56 -0.90 -1.33 0.00 0.00 177.39 177.37 2dba n ASP 58 N -1.67 8.13 -4.92 -1.43 5.68 -1.26 -4.96 116.55 116.12 2dba n ASP 58 Ca 0.03 -3.05 -0.27 0.00 -0.50 0.00 0.00 54.79 51.01 2dba n ASP 58 Cb 0.59 -1.40 0.04 0.00 -1.14 0.00 0.00 41.12 39.22 2dba n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2dba s ALA 59 N -0.59 3.21 0.78 2.12 0.00 -1.26 -5.06 121.76 120.96 2dba s ALA 59 Ca 0.56 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.71 2dba s ALA 59 Cb 0.18 -2.66 0.06 0.00 0.00 0.00 0.00 23.12 20.71 2dba s ALA 59 CO -0.09 -0.99 1.10 0.95 0.00 0.00 0.00 175.76 176.73 2dba s THR 60 N -3.11 3.18 0.07 0.00 -4.23 -1.26 -4.85 115.64 105.45 2dba s THR 60 Ca 0.56 0.39 0.33 0.00 -1.18 0.00 0.00 61.69 61.79 2dba s THR 60 Cb -0.11 -2.83 0.38 0.00 1.34 0.00 0.00 72.50 71.29 2dba s THR 60 CO 0.46 -0.49 1.98 1.55 -0.54 0.00 0.00 174.62 177.57 2dba h PRO 61 N -1.17 0.00 0.00 3.99 0.13 -2.00 -1.49 132.00 131.47 2dba h PRO 61 Ca -0.44 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.62 2dba h PRO 61 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2dba h PRO 61 CO 0.50 0.00 -0.80 0.37 -0.23 0.00 0.00 178.00 177.85 2dba h GLN 62 N 0.00 0.00 0.04 0.86 -0.00 -1.94 -3.33 115.11 110.74 2dba h GLN 62 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.33 2dba h GLN 62 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.91 2dba h GLN 62 CO 0.00 0.22 -1.88 -0.25 0.00 0.00 0.00 178.83 176.92 2dba n ASP 63 N -2.97 1.21 -0.14 -0.69 9.92 -1.01 -3.97 116.55 118.90 2dba n ASP 63 Ca -0.01 0.30 0.08 0.00 -0.53 0.00 0.00 54.79 54.63 2dba n ASP 63 Cb 0.68 -0.22 0.41 0.00 -0.64 0.00 0.00 41.12 41.34 2dba n ASP 63 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 2dba h GLN 64 N 0.02 0.61 0.06 -1.24 4.20 -1.41 -2.43 115.11 114.92 2dba h GLN 64 Ca -0.36 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.31 2dba h GLN 64 Cb 2.04 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.68 2dba h GLN 64 CO 0.07 0.40 -0.03 0.00 -0.67 0.00 0.00 178.83 178.60 2dba h ALA 65 N 1.65 -0.08 -0.92 3.87 0.00 -1.71 -2.60 119.26 119.46 2dba h ALA 65 Ca 0.30 -0.21 0.24 0.00 0.00 0.00 0.00 54.91 55.23 2dba h ALA 65 Cb 0.35 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 2dba h ALA 65 CO -0.10 -0.33 0.63 0.28 0.00 0.00 0.00 179.25 179.74 2dba h VAL 66 N -0.51 0.60 -0.11 0.00 2.07 -1.58 0.80 116.25 117.51 2dba h VAL 66 Ca -0.01 -0.07 -0.20 0.00 0.82 0.00 0.00 66.70 67.24 2dba h VAL 66 Cb 0.45 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2dba h VAL 66 CO 0.01 0.04 -0.71 -0.07 0.02 0.00 0.00 177.57 176.86 2dba h LEU 67 N 0.21 0.82 -0.01 2.57 3.38 -1.36 -2.81 115.31 118.12 2dba h LEU 67 Ca 0.47 -0.65 0.02 0.00 0.09 0.00 0.00 57.88 57.80 2dba h LEU 67 Cb 1.47 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 2dba h LEU 67 CO -0.11 1.35 -0.13 0.45 0.09 0.00 0.00 178.44 180.09 2dba h HIS 68 N 0.36 -0.33 0.00 1.13 3.86 -0.46 0.44 115.15 120.15 2dba h HIS 68 Ca -0.06 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 2dba h HIS 68 Cb 1.36 0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.97 2dba h HIS 68 CO 0.10 -0.19 -0.08 0.07 0.86 0.00 0.00 177.93 178.69 2dba h ARG 69 N -0.21 0.00 0.03 2.45 0.11 -1.48 -2.49 114.38 112.78 2dba h ARG 69 Ca 0.05 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.88 2dba h ARG 69 Cb 0.28 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.38 2dba h ARG 69 CO -0.13 0.08 -0.97 -0.91 0.10 0.00 0.00 179.97 178.14 2dba h ASN 70 N 0.00 0.81 -0.76 0.08 2.35 -0.94 -3.28 115.58 113.83 2dba h ASN 70 Ca -0.00 -0.76 0.11 0.00 -0.55 0.00 0.00 56.30 55.10 2dba h ASN 70 Cb 0.25 -0.25 -0.08 0.00 0.05 0.00 0.00 38.32 38.29 2dba h ASN 70 CO 0.01 1.47 0.38 0.03 -1.65 0.00 0.00 177.43 177.68 2dba h ARG 71 N 0.24 0.59 -0.08 0.81 3.08 -0.49 -2.09 114.38 116.43 2dba h ARG 71 Ca -0.13 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 59.92 2dba h ARG 71 Cb 1.65 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.53 2dba h ARG 71 CO 0.19 0.39 -0.13 0.00 -1.07 0.00 0.00 179.97 179.35 2dba h ALA 72 N 1.48 -0.08 -0.80 0.04 0.00 -1.61 -2.33 119.26 115.96 2dba h ALA 72 Ca 0.39 0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.50 2dba h ALA 72 Cb 0.47 0.25 -0.15 0.00 0.00 0.00 0.00 17.79 18.36 2dba h ALA 72 CO -0.31 -0.59 -0.20 0.00 0.00 0.00 0.00 179.25 178.14 2dba h ALA 73 N 0.86 0.52 -0.11 0.00 0.00 -1.44 0.12 119.26 119.21 2dba h ALA 73 Ca 0.07 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2dba h ALA 73 Cb 0.28 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2dba h ALA 73 CO -0.19 -0.41 0.07 0.00 0.00 0.00 0.00 179.25 178.72 2dba h HIS 75 N 0.14 -1.33 -0.97 0.00 3.86 -0.35 -1.33 115.15 115.17 2dba h HIS 75 Ca 0.04 0.01 0.22 0.00 -1.16 0.00 0.00 60.37 59.48 2dba h HIS 75 Cb -0.01 0.53 -0.18 0.00 1.06 0.00 0.00 27.41 28.80 2dba h HIS 75 CO -0.08 -0.63 -0.16 1.28 0.86 0.00 0.00 177.93 179.20 2dba n LEU 76 N -5.54 -0.28 0.08 2.43 4.77 0.05 0.23 117.00 118.75 2dba n LEU 76 Ca -0.11 1.67 0.00 0.00 -0.03 0.00 0.00 56.01 57.54 2dba n LEU 76 Cb 0.44 -0.53 0.31 0.00 -2.33 0.00 0.00 43.42 41.30 2dba n LEU 76 CO 0.25 -1.63 0.81 0.11 -1.33 0.00 0.00 177.39 175.61 2dba h LYS 77 N 0.00 0.30 -1.70 3.23 1.79 -1.27 -2.95 116.57 115.98 2dba h LYS 77 Ca 0.50 -0.09 -0.62 0.00 -2.18 0.00 0.00 60.65 58.26 2dba h LYS 77 Cb 0.86 -0.03 -0.23 0.00 -1.58 0.00 0.00 32.23 31.25 2dba h LYS 77 CO -0.98 0.50 0.76 1.28 -1.08 0.00 0.00 179.45 179.94 2dba n LEU 78 N -4.19 7.16 -3.98 2.94 4.77 0.61 -4.85 117.00 119.46 2dba n LEU 78 Ca -0.01 -4.30 -0.27 0.00 -0.03 0.00 0.00 56.01 51.40 2dba n LEU 78 Cb 0.34 -1.09 -0.08 0.00 -2.33 0.00 0.00 43.42 40.26 2dba n LEU 78 CO 0.40 1.61 -0.34 1.21 -1.33 0.00 0.00 177.39 178.94 2dba n GLU 79 N -0.14 -0.91 -2.20 3.23 2.13 -0.96 -4.81 120.64 116.97 2dba n GLU 79 Ca 0.52 0.08 -0.23 0.00 0.66 0.00 0.00 57.16 58.18 2dba n GLU 79 Cb 0.46 -3.11 0.02 0.00 0.27 0.00 0.00 31.44 29.08 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 -2.21 4.63 -0.03 4.31 8.00 -0.11 -4.85 116.55 126.29 2dba n ASP 80 Ca -0.19 -3.63 -0.08 0.00 0.71 0.00 0.00 54.79 51.59 2dba n ASP 80 Cb 0.53 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 2dba n ASP 80 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2dba h TYR 81 N 2.33 -0.18 -0.97 1.24 0.05 -1.84 0.22 116.97 117.82 2dba h TYR 81 Ca 0.32 0.02 0.13 0.00 0.05 0.00 0.00 58.73 59.25 2dba h TYR 81 Cb 1.35 0.11 -0.15 0.00 1.01 0.00 0.00 36.73 39.05 2dba h TYR 81 CO 0.82 -0.13 -0.44 -0.44 -1.05 0.00 0.00 178.16 176.92 2dba h ASP 82 N -0.05 -1.63 0.07 3.88 5.19 -1.88 -0.24 116.42 121.76 2dba h ASP 82 Ca 0.10 0.31 -0.00 0.00 -0.62 0.00 0.00 57.03 56.82 2dba h ASP 82 Cb 0.20 0.80 0.00 0.00 0.18 0.00 0.00 39.33 40.52 2dba h ASP 82 CO -0.22 -0.28 -0.03 0.11 -3.12 0.00 0.00 179.24 175.70 2dba h LYS 83 N -0.02 -0.09 -0.83 3.56 1.57 -1.88 -3.28 116.57 115.59 2dba h LYS 83 Ca 0.29 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 59.24 2dba h LYS 83 Cb 0.55 0.02 -0.16 0.00 0.08 0.00 0.00 32.23 32.72 2dba h LYS 83 CO -0.95 0.44 -0.19 0.00 -0.57 0.00 0.00 179.45 178.18 2dba n ALA 84 N -2.46 0.22 0.08 3.86 0.00 0.74 0.19 120.51 123.14 2dba n ALA 84 Ca -0.08 0.92 -0.13 0.00 0.00 0.00 0.00 53.44 54.14 2dba n ALA 84 Cb 0.29 -0.56 -0.06 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.55 0.18 0.00 4.22 -1.14 -1.74 114.58 115.55 2dba h GLU 85 Ca 0.41 0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.90 2dba h GLU 85 Cb 0.64 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 2dba h GLU 85 CO -0.85 -0.37 -0.42 1.15 -2.18 0.00 0.00 179.01 176.34 2dba h THR 86 N -0.57 0.16 -0.82 0.32 2.02 -0.34 -2.53 112.91 111.15 2dba h THR 86 Ca 0.04 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.36 2dba h THR 86 Cb 0.64 0.16 -0.14 0.00 -1.74 0.00 0.00 68.15 67.07 2dba h THR 86 CO -0.28 0.00 -0.33 -0.33 0.37 0.00 0.00 175.52 174.95 2dba h GLU 87 N -0.69 -0.06 -0.55 6.66 4.39 -1.01 0.80 114.58 124.12 2dba h GLU 87 Ca 0.01 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.82 2dba h GLU 87 Cb 0.69 0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.25 2dba h GLU 87 CO -0.20 -0.04 -0.28 0.00 -1.16 0.00 0.00 179.01 177.33 2dba h ALA 88 N 1.34 0.05 -0.70 3.43 0.00 -0.90 0.12 119.26 122.60 2dba h ALA 88 Ca 0.32 0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.55 2dba h ALA 88 Cb 0.59 0.67 -0.11 0.00 0.00 0.00 0.00 17.79 18.94 2dba h ALA 88 CO -0.85 -0.62 0.14 1.03 0.00 0.00 0.00 179.25 178.95 2dba h SER 89 N -0.14 -0.03 -0.78 0.00 0.87 -0.62 0.30 113.55 113.15 2dba h SER 89 Ca 0.24 0.14 0.15 0.00 -1.23 0.00 0.00 61.79 61.09 2dba h SER 89 Cb 0.52 0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 62.63 2dba h SER 89 CO -0.63 -0.04 0.52 0.11 -0.53 0.00 0.00 176.83 176.25 2dba h LYS 90 N 0.25 0.42 0.00 2.24 1.57 -0.59 0.34 116.57 120.80 2dba h LYS 90 Ca 0.39 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.14 2dba h LYS 90 Cb 0.65 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 2dba h LYS 90 CO -0.50 0.28 -0.25 0.00 -0.57 0.00 0.00 179.45 178.41 2dba h ALA 91 N 1.64 0.87 0.16 3.86 0.00 -0.15 -3.13 119.26 122.51 2dba h ALA 91 Ca 0.38 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.94 2dba h ALA 91 Cb 0.86 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.66 2dba h ALA 91 CO -0.13 0.04 -1.57 0.82 0.00 0.00 0.00 179.25 178.41 2dba h ILE 92 N 0.00 1.13 -0.40 0.00 2.04 0.99 -3.35 117.51 117.92 2dba h ILE 92 Ca -0.00 -2.71 -0.09 0.00 1.00 0.00 0.00 64.86 63.06 2dba h ILE 92 Cb 1.02 2.82 -0.01 0.00 -0.74 0.00 0.00 36.82 39.91 2dba h ILE 92 CO 0.00 0.83 -0.08 1.05 0.00 0.00 0.00 178.15 179.96 2dba h GLU 93 N 0.09 0.76 -0.51 2.37 4.11 -0.77 0.14 114.58 120.78 2dba h GLU 93 Ca -0.27 -0.28 0.08 0.00 0.07 0.00 0.00 59.36 58.95 2dba h GLU 93 Cb 2.07 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 31.17 2dba h GLU 93 CO 0.19 0.89 -0.45 0.87 0.07 0.00 0.00 179.01 180.58 2dba h LYS 94 N 0.57 -0.27 0.00 1.06 1.79 -1.68 -3.39 116.57 114.66 2dba h LYS 94 Ca 0.10 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 2dba h LYS 94 Cb 0.60 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 2dba h LYS 94 CO 0.04 -0.18 0.00 -3.47 -1.08 0.00 0.00 179.45 174.76 2dba n ASP 95 N -5.40 0.00 0.00 0.86 2.03 -1.22 -5.07 116.55 107.75 2dba n ASP 95 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2dba n ASP 95 Cb 0.35 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 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 2.64 2.49 1.51 0.27 0.00 0.49 -4.94 105.19 107.65 2dba n GLY 96 Ca 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 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 2.83 3.48 -0.02 0.00 -1.26 -4.75 105.19 105.47 2dba n GLY 97 Ca 0.00 -0.61 -0.44 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.46 7.03 0.63 1.61 1.01 -1.26 -4.79 116.67 120.44 2dba s ASP 98 Ca 0.34 -2.89 0.41 0.00 0.71 0.00 0.00 52.55 51.13 2dba s ASP 98 Cb 0.27 -2.43 2.15 0.00 1.01 0.00 0.00 42.92 43.92 2dba s ASP 98 CO 0.09 -0.82 2.26 -0.37 0.21 0.00 0.00 175.17 176.54 2dba h VAL 99 N 4.83 0.00 0.34 -1.27 -1.51 -1.96 -2.95 116.25 113.73 2dba h VAL 99 Ca 0.34 -0.12 -0.00 0.00 -1.23 0.00 0.00 66.70 65.69 2dba h VAL 99 Cb 0.87 1.10 -0.02 0.00 -2.13 0.00 0.00 31.29 31.11 2dba h VAL 99 CO 1.28 0.00 -0.36 0.11 -1.23 0.00 0.00 177.57 177.37 2dba h LYS 100 N 0.00 -0.71 0.00 5.19 1.79 -2.00 0.13 116.57 120.97 2dba h LYS 100 Ca 0.00 0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 2dba h LYS 100 Cb 0.12 0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2dba h LYS 100 CO 0.00 -0.47 -0.14 0.00 -1.08 0.00 0.00 179.45 177.76 2dba h ALA 101 N -0.27 1.44 0.08 3.86 0.00 -1.83 -2.71 119.26 119.82 2dba h ALA 101 Ca -0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2dba h ALA 101 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2dba h ALA 101 CO -0.08 0.17 -0.04 -0.07 0.00 0.00 0.00 179.25 179.24 2dba h LEU 102 N 0.00 -0.09 -2.05 0.00 3.38 -1.34 0.44 115.31 115.65 2dba h LEU 102 Ca -0.00 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 2dba h LEU 102 Cb 0.31 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2dba h LEU 102 CO 0.02 0.32 -0.02 0.22 0.09 0.00 0.00 178.44 179.07 2dba h TYR 103 N -0.51 0.00 0.20 1.13 3.20 -0.81 -2.24 116.97 117.94 2dba h TYR 103 Ca -0.01 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.51 2dba h TYR 103 Cb 0.44 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.72 2dba h TYR 103 CO 0.06 0.02 -1.72 0.00 -1.64 0.00 0.00 178.16 174.88 2dba h ARG 104 N 0.00 0.41 -0.19 1.82 3.08 -1.37 -3.32 114.38 114.81 2dba h ARG 104 Ca -0.00 -0.71 0.04 0.00 0.07 0.00 0.00 59.98 59.39 2dba h ARG 104 Cb 0.04 0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 2dba h ARG 104 CO 0.00 1.34 -0.09 -0.09 -1.07 0.00 0.00 179.97 180.06 2dba h ARG 105 N 0.11 -0.06 -0.47 0.04 2.43 0.38 -2.41 114.38 114.40 2dba h ARG 105 Ca -0.33 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 58.93 2dba h ARG 105 Cb 2.11 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 31.59 2dba h ARG 105 CO 0.19 -0.04 -0.05 0.66 -1.51 0.00 0.00 179.97 179.22 2dba h SER 106 N -0.06 -0.30 -0.84 -3.80 4.64 -1.58 -0.54 113.55 111.08 2dba h SER 106 Ca 0.10 0.12 0.19 0.00 -0.47 0.00 0.00 61.79 61.73 2dba h SER 106 Cb 0.22 0.24 -0.12 0.00 -0.31 0.00 0.00 62.40 62.43 2dba h SER 106 CO -0.23 -0.10 0.32 1.56 -0.87 0.00 0.00 176.83 177.51 2dba h GLN 107 N 0.06 0.37 0.11 4.77 1.08 -1.54 -0.05 115.11 119.93 2dba h GLN 107 Ca 0.23 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 2dba h GLN 107 Cb 0.35 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2dba h GLN 107 CO -0.43 0.25 -0.06 0.00 -0.95 0.00 0.00 178.83 177.64 2dba h ALA 108 N 1.66 -0.15 -0.22 3.87 0.00 -0.93 -3.26 119.26 120.22 2dba h ALA 108 Ca 0.50 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.28 2dba h ALA 108 Cb 0.88 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 2dba h ALA 108 CO -0.50 -0.40 -0.32 -0.07 0.00 0.00 0.00 179.25 177.95 2dba h LEU 109 N -0.52 -1.02 -1.30 0.00 3.38 -0.23 0.23 115.31 115.85 2dba h LEU 109 Ca -0.02 0.16 0.45 0.00 0.09 0.00 0.00 57.88 58.56 2dba h LEU 109 Cb 0.42 0.45 -0.14 0.00 0.09 0.00 0.00 40.66 41.47 2dba h LEU 109 CO 0.03 -0.34 0.80 -0.33 0.09 0.00 0.00 178.44 178.68 2dba h GLU 110 N -0.34 0.04 0.11 1.13 5.08 -1.09 1.16 114.58 120.66 2dba h GLU 110 Ca 0.12 -0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.18 2dba h GLU 110 Cb 0.54 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.81 2dba h GLU 110 CO -0.42 0.03 -1.24 0.87 -1.00 0.00 0.00 179.01 177.25 2dba h LYS 111 N 0.04 0.64 0.00 2.33 6.56 -1.03 -3.21 116.57 121.90 2dba h LYS 111 Ca 0.85 -0.84 -0.02 0.00 -1.06 0.00 0.00 60.65 59.59 2dba h LYS 111 Cb 2.60 0.27 -0.00 0.00 -0.57 0.00 0.00 32.23 34.54 2dba h LYS 111 CO -0.52 1.38 -0.08 -0.07 -2.06 0.00 0.00 179.45 178.11 2dba h LEU 112 N 0.29 0.00 0.00 2.94 3.38 0.21 -3.46 115.31 118.68 2dba h LEU 112 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2dba h LEU 112 Cb 1.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.66 2dba h LEU 112 CO 0.24 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.46 2dba n GLY 113 N -0.68 0.85 3.45 0.83 0.00 0.24 -5.05 105.19 104.83 2dba n GLY 113 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 2dba n GLY 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dba s ARG 114 N -0.42 3.53 -0.10 1.61 0.52 -1.08 -4.86 118.95 118.16 2dba s ARG 114 Ca 0.00 -1.66 -0.02 0.00 -0.52 0.00 0.00 55.73 53.53 2dba s ARG 114 Cb 0.00 -4.82 -0.01 0.00 0.52 0.00 0.00 34.95 30.64 2dba s ARG 114 CO 0.00 -1.76 0.05 -0.07 0.02 0.00 0.00 175.30 173.54 2dba h LEU 115 N 10.45 -0.02 -0.82 2.53 3.38 -1.89 -3.14 115.31 125.80 2dba h LEU 115 Ca 0.09 -0.04 0.21 0.00 0.09 0.00 0.00 57.88 58.24 2dba h LEU 115 Cb 1.03 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.63 2dba h LEU 115 CO 1.11 0.50 -0.03 0.47 0.09 0.00 0.00 178.44 180.58 2dba n ASP 116 N -4.79 -0.14 0.11 -0.43 8.00 -1.26 0.71 116.55 118.76 2dba n ASP 116 Ca -0.01 1.39 -0.13 0.00 0.71 0.00 0.00 54.79 56.75 2dba n ASP 116 Cb 0.03 -0.49 -0.08 0.00 -0.02 0.00 0.00 41.12 40.56 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 -0.24 -1.18 -1.24 1.08 -1.98 -2.52 115.11 109.03 2dba h GLN 117 Ca 0.47 0.02 0.35 0.00 -1.45 0.00 0.00 58.65 58.04 2dba h GLN 117 Cb 0.93 0.05 -0.11 0.00 -0.05 0.00 0.00 27.48 28.31 2dba h GLN 117 CO -0.78 -0.04 0.76 0.00 -0.95 0.00 0.00 178.83 177.82 2dba h ALA 118 N 0.39 2.51 -0.11 3.87 0.00 0.34 0.28 119.26 126.53 2dba h ALA 118 Ca -0.03 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2dba h ALA 118 Cb 0.31 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2dba h ALA 118 CO 0.04 -1.02 -0.35 0.28 0.00 0.00 0.00 179.25 178.20 2dba h VAL 119 N 0.23 1.39 -0.10 0.00 2.07 -1.05 -2.96 116.25 115.83 2dba h VAL 119 Ca 0.70 -1.67 0.04 0.00 0.82 0.00 0.00 66.70 66.60 2dba h VAL 119 Cb 2.05 2.16 -0.06 0.00 -1.52 0.00 0.00 31.29 33.93 2dba h VAL 119 CO -0.35 0.49 -0.29 -0.07 0.02 0.00 0.00 177.57 177.38 2dba h LEU 120 N -0.00 -0.88 -0.27 2.57 3.38 -0.05 0.89 115.31 120.95 2dba h LEU 120 Ca -0.01 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.14 2dba h LEU 120 Cb 0.97 0.37 -0.06 0.00 0.09 0.00 0.00 40.66 42.04 2dba h LEU 120 CO 0.07 -0.34 -0.10 0.44 0.09 0.00 0.00 178.44 178.61 2dba h ASP 121 N -0.38 -0.34 -0.05 -0.43 3.32 -1.47 -2.54 116.42 114.55 2dba h ASP 121 Ca 0.09 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.26 2dba h ASP 121 Cb 0.51 0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 2dba h ASP 121 CO -0.31 -0.13 -0.15 -0.07 -1.72 0.00 0.00 179.24 176.86 2dba h LEU 122 N -0.05 -0.45 -1.64 1.55 3.38 -1.24 -1.40 115.31 115.47 2dba h LEU 122 Ca 0.14 0.07 0.50 0.00 0.09 0.00 0.00 57.88 58.68 2dba h LEU 122 Cb 0.25 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.09 2dba h LEU 122 CO -0.30 -0.20 1.07 1.56 0.09 0.00 0.00 178.44 180.65 2dba h GLN 123 N -0.23 0.02 -0.11 1.13 4.20 -0.40 1.49 115.11 121.22 2dba h GLN 123 Ca 0.07 -0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.54 2dba h GLN 123 Cb 0.32 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.10 2dba h GLN 123 CO -0.18 0.02 -0.84 0.00 -0.67 0.00 0.00 178.83 177.16 2dba h ARG 124 N 0.02 0.74 -0.75 1.46 3.08 -1.16 -3.17 114.38 114.61 2dba h ARG 124 Ca 0.88 -0.65 0.15 0.00 0.07 0.00 0.00 59.98 60.42 2dba h ARG 124 Cb 3.09 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 33.24 2dba h ARG 124 CO -0.27 1.25 0.50 0.00 -1.07 0.00 0.00 179.97 180.38 2dba h VAL 126 N 0.40 1.26 0.80 0.00 2.07 -1.46 -2.39 116.25 116.93 2dba h VAL 126 Ca 0.37 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 2dba h VAL 126 Cb 0.85 1.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2dba h VAL 126 CO -0.11 0.41 -0.38 -1.28 0.02 0.00 0.00 177.57 176.23 2dba h SER 127 N 0.78 -0.91 -0.22 0.57 0.87 -1.06 -2.57 113.55 111.01 2dba h SER 127 Ca 0.13 0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.78 2dba h SER 127 Cb 0.61 0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 62.73 2dba h SER 127 CO 0.04 -0.62 -0.34 -0.07 -0.53 0.00 0.00 176.83 175.31 2dba h LEU 128 N -1.13 -1.09 -7.55 2.23 -0.00 -1.54 -3.28 115.31 102.94 2dba h LEU 128 Ca -0.11 0.17 -0.71 0.00 -0.00 0.00 0.00 57.88 57.23 2dba h LEU 128 Cb 0.82 0.47 -0.34 0.00 -0.00 0.00 0.00 40.66 41.61 2dba h LEU 128 CO 0.18 -0.36 -0.27 -1.61 -0.00 0.00 0.00 178.44 176.38 2dba s GLU 129 N -5.98 2.79 0.00 1.13 0.41 -0.90 -4.90 118.70 111.25 2dba s GLU 129 Ca -0.15 -2.65 0.15 0.00 -0.41 0.00 0.00 54.97 51.91 2dba s GLU 129 Cb 0.11 -3.84 0.86 0.00 -1.78 0.00 0.00 34.13 29.48 2dba s GLU 129 CO 0.66 -1.20 1.37 -0.35 -0.49 0.00 0.00 175.26 175.25 2dba n PRO 130 N 3.34 0.38 -0.09 0.39 -0.04 -0.97 -2.97 135.00 135.04 2dba n PRO 130 Ca 0.11 0.06 -0.15 0.00 -0.04 0.00 0.00 63.50 63.48 2dba n PRO 130 Cb 0.39 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 2dba n PRO 130 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2dba n LYS 131 N -1.11 0.42 -1.51 0.54 4.76 -1.26 -4.93 118.16 115.07 2dba n LYS 131 Ca 0.10 0.12 -0.42 0.00 -2.87 0.00 0.00 58.31 55.25 2dba n LYS 131 Cb 0.08 -1.29 -0.07 0.00 -1.84 0.00 0.00 35.03 31.91 2dba n LYS 131 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2dba n ASN 132 N -3.28 1.73 0.04 4.39 4.13 -1.16 -4.78 115.26 116.33 2dba n ASN 132 Ca -0.33 -0.05 -0.07 0.00 1.68 0.00 0.00 54.58 55.81 2dba n ASN 132 Cb 0.81 -1.31 0.09 0.00 -1.54 0.00 0.00 39.78 37.82 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 15.40 0.42 -1.41 3.52 1.57 -1.91 -3.19 116.57 130.96 2dba h LYS 133 Ca -0.20 -0.27 0.43 0.00 -1.87 0.00 0.00 60.65 58.74 2dba h LYS 133 Cb 1.29 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.56 2dba h LYS 133 CO 1.18 0.87 0.99 0.28 -0.57 0.00 0.00 179.45 182.20 2dba n VAL 134 N -3.93 -0.06 -0.07 0.50 0.31 -1.26 0.12 118.33 113.93 2dba n VAL 134 Ca -0.03 1.24 -0.13 0.00 -0.01 0.00 0.00 64.34 65.41 2dba n VAL 134 Cb 0.60 -2.06 -0.11 0.00 -0.91 0.00 0.00 33.84 31.37 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 0.00 -0.66 3.52 0.04 -1.94 -1.78 116.94 116.12 2dba h PHE 135 Ca 0.72 0.00 0.19 0.00 2.80 0.00 0.00 57.97 61.69 2dba h PHE 135 Cb 2.74 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 40.87 2dba h PHE 135 CO -0.00 0.92 0.78 1.96 -0.60 0.00 0.00 178.31 181.36 2dba h GLN 136 N -1.00 0.00 0.00 1.51 4.20 0.72 -1.39 115.11 119.14 2dba h GLN 136 Ca -0.06 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.39 2dba h GLN 136 Cb 0.90 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.65 2dba h GLN 136 CO -0.04 0.00 -1.64 0.39 -0.67 0.00 0.00 178.83 176.87 2dba n GLU 137 N -3.47 0.55 -0.37 1.46 -0.58 -0.73 -4.23 120.64 113.27 2dba n GLU 137 Ca 0.14 0.38 0.38 0.00 -0.42 0.00 0.00 57.16 57.64 2dba n GLU 137 Cb 1.00 -1.58 0.68 0.00 -0.57 0.00 0.00 31.44 30.97 2dba n GLU 137 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dba h ALA 138 N -0.85 3.22 0.56 0.62 0.00 -0.36 0.10 119.26 122.55 2dba h ALA 138 Ca -0.39 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2dba h ALA 138 Cb 1.27 0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.17 2dba h ALA 138 CO -0.24 -1.79 -0.27 1.25 0.00 0.00 0.00 179.25 178.21 2dba h LEU 139 N 0.00 -0.64 -2.24 0.00 7.12 -1.50 -3.09 115.31 114.96 2dba h LEU 139 Ca 0.63 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.64 2dba h LEU 139 Cb 2.84 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 43.13 2dba h LEU 139 CO -0.01 -0.24 0.00 0.03 -0.13 0.00 0.00 178.44 178.10 2dba h ARG 140 N -1.19 0.00 -0.15 1.25 -0.00 -1.05 0.25 114.38 113.49 2dba h ARG 140 Ca -0.08 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.30 2dba h ARG 140 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.55 2dba h ARG 140 CO 0.13 0.00 -0.37 -0.97 0.00 0.00 0.00 179.97 178.76 2dba h ASN 141 N 0.00 0.33 0.00 7.04 -1.24 -1.01 -2.53 115.58 118.17 2dba h ASN 141 Ca 0.00 -0.13 -0.08 0.00 0.71 0.00 0.00 56.30 56.80 2dba h ASN 141 Cb 0.14 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 2dba h ASN 141 CO 0.00 0.68 -1.82 2.30 -1.29 0.00 0.00 177.43 177.30 2dba n ILE 142 N -4.06 0.30 0.14 2.57 -5.35 -0.65 -4.43 119.36 107.88 2dba n ILE 142 Ca -0.01 -0.44 -0.01 0.00 -0.27 0.00 0.00 62.75 62.01 2dba n ILE 142 Cb 0.46 -0.08 0.23 0.00 -1.74 0.00 0.00 39.64 38.50 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 0.07 0.00 7.28 0.87 -0.57 -3.49 113.55 117.72 2dba h SER 143 Ca -0.12 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2dba h SER 143 Cb 1.08 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2dba h SER 143 CO 0.01 0.58 0.00 0.61 -0.53 0.00 0.00 176.83 177.49 2dba n GLY 144 N -0.02 0.74 3.73 5.77 0.00 -0.95 -4.72 105.19 109.74 2dba n GLY 144 Ca -0.02 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 1.45 -0.16 1.61 0.04 -1.26 -5.02 135.00 131.65 2dba s PRO 145 Ca 0.00 0.88 -0.09 0.00 0.04 0.00 0.00 61.00 61.83 2dba s PRO 145 Cb 0.00 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 2dba s PRO 145 CO 0.00 -2.13 0.14 0.45 0.04 0.00 0.00 177.00 175.51 2dba s SER 146 N -3.42 6.30 0.24 6.66 0.15 -1.26 -5.10 113.70 117.27 2dba s SER 146 Ca 0.63 0.35 0.03 0.00 0.70 0.00 0.00 55.95 57.66 2dba s SER 146 Cb -0.18 -2.09 -0.05 0.00 -1.71 0.00 0.00 66.02 61.99 2dba s SER 146 CO 0.57 0.28 0.03 -0.44 1.20 0.00 0.00 173.24 174.87 2dba s SER 147 N -0.24 1.66 0.00 5.45 0.01 -1.26 -5.32 113.70 114.00 2dba s SER 147 Ca 0.11 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 56.11 2dba s SER 147 Cb -0.12 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.16 2dba s SER 147 CO 0.01 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.69