#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diq s SER 2 N 0.00 1.86 -0.35 1.61 0.01 -1.26 -5.12 113.70 110.45 2diq s SER 2 Ca 0.00 -0.30 -0.08 0.00 1.31 0.00 0.00 55.95 56.88 2diq s SER 2 Cb 0.00 -0.49 0.04 0.00 0.21 0.00 0.00 66.02 65.78 2diq s SER 2 CO 0.00 0.13 0.14 -0.94 0.41 0.00 0.00 173.24 172.98 2diq s SER 3 N 0.05 5.44 -0.04 2.44 1.04 -1.26 -5.07 113.70 116.30 2diq s SER 3 Ca -0.03 -1.15 0.01 0.00 0.48 0.00 0.00 55.95 55.26 2diq s SER 3 Cb -0.10 -1.91 0.02 0.00 0.10 0.00 0.00 66.02 64.13 2diq s SER 3 CO 0.01 -0.36 -0.02 -0.83 0.98 0.00 0.00 173.24 173.02 2diq s GLY 4 N 1.49 0.36 0.12 7.32 0.00 -1.26 -5.03 107.32 110.32 2diq s GLY 4 Ca -0.00 0.03 -0.15 0.00 0.00 0.00 0.00 44.72 44.59 2diq s GLY 4 CO 0.04 0.57 1.55 1.76 0.00 0.00 0.00 173.10 177.01 2diq h SER 5 N 7.31 0.65 -3.71 1.64 0.02 -2.07 -3.43 113.55 113.97 2diq h SER 5 Ca -0.38 -0.32 -0.68 0.00 -0.84 0.00 0.00 61.79 59.57 2diq h SER 5 Cb 1.14 -0.18 -0.23 0.00 0.14 0.00 0.00 62.40 63.28 2diq h SER 5 CO 0.45 0.81 -0.74 -0.44 -1.14 0.00 0.00 176.83 175.78 2diq s SER 6 N -6.18 4.25 0.00 3.07 0.01 -1.26 -5.10 113.70 108.49 2diq s SER 6 Ca -0.13 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2diq s SER 6 Cb 0.10 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 65.14 2diq s SER 6 CO 0.79 0.30 0.00 0.61 0.41 0.00 0.00 173.24 175.34 2diq n GLY 7 N 2.66 0.78 3.86 3.44 0.00 -1.26 -5.16 105.19 109.52 2diq n GLY 7 Ca -0.18 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 2diq n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2diq s ARG 8 N -2.00 3.84 0.19 1.61 3.52 -1.26 -5.10 118.95 119.76 2diq s ARG 8 Ca 0.00 0.31 0.08 0.00 -0.13 0.00 0.00 55.73 55.98 2diq s ARG 8 Cb 0.00 -2.83 -0.04 0.00 -1.56 0.00 0.00 34.95 30.52 2diq s ARG 8 CO 0.00 0.43 -0.00 -1.12 -0.81 0.00 0.00 175.30 173.80 2diq s SER 9 N -2.03 4.72 0.10 -2.12 0.01 -1.26 -4.99 113.70 108.13 2diq s SER 9 Ca 0.41 -0.44 -0.25 0.00 1.31 0.00 0.00 55.95 56.97 2diq s SER 9 Cb -0.13 -0.98 -0.12 0.00 0.21 0.00 0.00 66.02 65.00 2diq s SER 9 CO 0.20 0.07 1.69 -0.07 0.41 0.00 0.00 173.24 175.54 2diq h LEU 10 N 2.57 -0.35 -1.18 2.44 3.38 -1.98 0.18 115.31 120.37 2diq h LEU 10 Ca -0.47 0.03 0.20 0.00 0.09 0.00 0.00 57.88 57.74 2diq h LEU 10 Cb 1.21 0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.99 2diq h LEU 10 CO 0.58 -0.20 0.62 1.56 0.09 0.00 0.00 178.44 181.09 2diq h GLN 11 N -0.29 0.61 0.04 1.13 4.20 -1.99 0.33 115.11 119.13 2diq h GLN 11 Ca 0.01 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2diq h GLN 11 Cb 0.28 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2diq h GLN 11 CO -0.04 0.40 -0.02 1.25 -0.67 0.00 0.00 178.83 179.76 2diq h LEU 12 N 0.63 -0.04 -0.96 1.46 5.85 -1.82 -2.91 115.31 117.51 2diq h LEU 12 Ca 0.55 0.00 0.35 0.00 0.84 0.00 0.00 57.88 59.63 2diq h LEU 12 Cb 1.05 0.01 -0.18 0.00 0.37 0.00 0.00 40.66 41.92 2diq h LEU 12 CO -0.32 0.04 0.34 -0.67 -0.34 0.00 0.00 178.44 177.50 2diq n ASP 13 N -2.54 0.18 -0.14 1.25 2.03 0.59 0.23 116.55 118.14 2diq n ASP 13 Ca -0.01 1.61 -0.05 0.00 0.52 0.00 0.00 54.79 56.87 2diq n ASP 13 Cb 0.02 -0.72 0.14 0.00 -0.72 0.00 0.00 41.12 39.85 2diq n ASP 13 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2diq h LYS 14 N 0.00 0.86 -0.29 -0.67 3.11 -1.04 -2.22 116.57 116.32 2diq h LYS 14 Ca 0.74 -0.22 -0.17 0.00 -2.81 0.00 0.00 60.65 58.19 2diq h LYS 14 Cb 1.82 -0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 32.95 2diq h LYS 14 CO -0.80 0.83 -0.48 1.25 -2.81 0.00 0.00 179.45 177.44 2diq h LEU 15 N 0.81 0.92 -0.28 5.20 5.85 0.30 -2.59 115.31 125.53 2diq h LEU 15 Ca 0.16 -0.52 0.01 0.00 0.84 0.00 0.00 57.88 58.37 2diq h LEU 15 Cb 0.42 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2diq h LEU 15 CO 0.01 1.26 0.17 0.58 -0.34 0.00 0.00 178.44 180.13 2diq h VAL 16 N 0.60 1.05 -0.41 1.05 2.07 -0.71 -1.87 116.25 118.04 2diq h VAL 16 Ca 0.02 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2diq h VAL 16 Cb 1.08 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2diq h VAL 16 CO 0.11 0.06 0.23 -1.13 0.02 0.00 0.00 177.57 176.87 2diq h ASN 17 N 0.36 0.50 0.43 0.57 -0.73 -1.42 -1.96 115.58 113.32 2diq h ASN 17 Ca 0.11 -0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.19 2diq h ASN 17 Cb -0.02 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.42 2diq h ASN 17 CO -0.04 0.43 -0.44 -0.33 -0.37 0.00 0.00 177.43 176.68 2diq h GLU 18 N 0.53 -0.84 0.02 6.67 5.08 -1.20 -1.00 114.58 123.84 2diq h GLU 18 Ca 0.15 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2diq h GLU 18 Cb 0.03 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2diq h GLU 18 CO -0.03 -0.56 -0.13 0.52 -1.00 0.00 0.00 179.01 177.81 2diq h MET 19 N -0.87 -0.18 0.00 2.33 2.86 -1.32 -2.60 114.93 115.16 2diq h MET 19 Ca -0.05 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2diq h MET 19 Cb 0.76 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.46 2diq h MET 19 CO -0.06 -0.12 0.00 2.41 1.06 0.00 0.00 176.91 180.20 2diq n THR 20 N -3.22 0.00 -0.42 2.22 -1.04 -0.74 0.65 114.28 111.74 2diq n THR 20 Ca -0.02 1.47 0.34 0.00 -2.04 0.00 0.00 64.05 63.79 2diq n THR 20 Cb 0.10 -1.98 0.54 0.00 -1.82 0.00 0.00 70.33 67.18 2diq n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2diq n GLN 21 N -2.84 -0.02 0.00 -2.82 6.02 -0.38 0.99 117.38 118.33 2diq n GLN 21 Ca 0.00 0.88 0.00 0.00 -0.01 0.00 0.00 57.00 57.87 2diq n GLN 21 Cb 0.00 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 29.42 2diq n GLN 21 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2diq n HIS 22 N -3.88 0.00 -0.22 1.08 -0.00 0.21 -4.31 115.22 108.10 2diq n HIS 22 Ca 0.31 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.47 2diq n HIS 22 Cb 1.29 -0.19 0.05 0.00 -0.12 0.00 0.00 29.99 31.02 2diq n HIS 22 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 2diq h TYR 23 N 0.00 -0.56 -0.83 1.57 0.05 0.51 0.97 116.97 118.69 2diq h TYR 23 Ca 0.00 0.06 0.31 0.00 0.05 0.00 0.00 58.73 59.16 2diq h TYR 23 Cb 0.00 0.34 -0.11 0.00 1.01 0.00 0.00 36.73 37.97 2diq h TYR 23 CO 0.00 -0.33 0.50 -0.85 -1.05 0.00 0.00 178.16 176.43 2diq n GLU 24 N -5.45 -0.03 -2.95 4.88 0.28 0.28 0.50 120.64 118.14 2diq n GLU 24 Ca 0.07 0.93 -0.30 0.00 -0.16 0.00 0.00 57.16 57.70 2diq n GLU 24 Cb 0.35 -1.74 -0.03 0.00 1.43 0.00 0.00 31.44 31.45 2diq n GLU 24 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2diq n ASN 25 N -4.35 4.95 -3.84 -1.84 0.23 0.33 -5.02 115.26 105.73 2diq n ASN 25 Ca 0.27 -3.65 -0.12 0.00 -0.53 0.00 0.00 54.58 50.55 2diq n ASN 25 Cb 1.00 -0.70 -0.09 0.00 -2.08 0.00 0.00 39.78 37.91 2diq n ASN 25 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2diq s SER 26 N -2.95 -0.04 0.56 0.53 0.01 0.18 -4.99 113.70 107.00 2diq s SER 26 Ca 0.46 -0.12 -0.18 0.00 1.31 0.00 0.00 55.95 57.42 2diq s SER 26 Cb 0.24 0.24 -0.05 0.00 0.21 0.00 0.00 66.02 66.66 2diq s SER 26 CO -0.11 -0.40 1.08 0.68 0.41 0.00 0.00 173.24 174.90 2diq s VAL 27 N -1.37 3.53 -0.25 3.43 -7.23 -1.26 -4.96 120.40 112.29 2diq s VAL 27 Ca -0.14 0.85 -0.29 0.00 -1.81 0.00 0.00 61.98 60.59 2diq s VAL 27 Cb -0.07 -3.33 -0.02 0.00 0.56 0.00 0.00 36.38 33.52 2diq s VAL 27 CO 0.02 -0.30 1.63 -2.16 -0.31 0.00 0.00 175.10 173.98 2diq s PRO 28 N -3.59 3.72 -0.06 4.82 0.04 -1.26 -4.99 135.00 133.67 2diq s PRO 28 Ca 0.68 1.59 -0.23 0.00 0.04 0.00 0.00 61.00 63.08 2diq s PRO 28 Cb -0.19 -4.06 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 2diq s PRO 28 CO 0.30 -1.39 0.67 -1.21 0.04 0.00 0.00 177.00 175.41 2diq s GLU 29 N 4.83 4.42 -0.71 4.56 2.02 -1.26 -5.01 118.70 127.55 2diq s GLU 29 Ca 0.72 0.83 -0.20 0.00 0.02 0.00 0.00 54.97 56.34 2diq s GLU 29 Cb -0.24 -3.43 0.10 0.00 0.10 0.00 0.00 34.13 30.66 2diq s GLU 29 CO 0.30 0.11 0.91 -0.51 0.02 0.00 0.00 175.26 176.09 2diq s ASP 30 N 0.65 6.32 0.22 -0.19 1.01 -1.26 -4.63 116.67 118.78 2diq s ASP 30 Ca 0.36 -1.48 0.11 0.00 0.71 0.00 0.00 52.55 52.25 2diq s ASP 30 Cb -0.18 -2.37 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 2diq s ASP 30 CO 0.17 -1.20 -0.21 -1.48 0.21 0.00 0.00 175.17 172.66 2diq s LEU 31 N 3.09 2.50 -0.46 1.23 2.34 -1.26 -5.11 118.68 121.01 2diq s LEU 31 Ca 0.21 -0.93 -0.20 0.00 0.06 0.00 0.00 54.13 53.26 2diq s LEU 31 Cb -0.16 -1.04 0.03 0.00 -0.56 0.00 0.00 46.19 44.46 2diq s LEU 31 CO 0.03 0.04 0.64 -0.89 -1.06 0.00 0.00 176.35 175.11 2diq s THR 32 N -2.13 4.83 0.13 5.48 2.01 -1.26 -5.02 115.64 119.69 2diq s THR 32 Ca 0.23 -0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.26 2diq s THR 32 Cb -0.06 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 2diq s THR 32 CO 0.11 -0.67 -0.17 0.54 -0.69 0.00 0.00 174.62 173.74 2diq s VAL 33 N 2.79 2.90 0.04 3.82 0.11 -1.26 -5.14 120.40 123.66 2diq s VAL 33 Ca 0.20 -1.53 0.02 0.00 -2.93 0.00 0.00 61.98 57.75 2diq s VAL 33 Cb -0.15 -2.35 -0.02 0.00 -1.53 0.00 0.00 36.38 32.33 2diq s VAL 33 CO 0.17 0.06 -0.08 -1.00 -3.33 0.00 0.00 175.10 170.92 2diq s HIS 34 N -1.24 0.68 -0.45 1.54 3.76 -1.26 -5.08 115.29 113.24 2diq s HIS 34 Ca 0.19 -0.44 -0.41 0.00 -0.15 0.00 0.00 55.06 54.25 2diq s HIS 34 Cb -0.10 -0.41 -0.17 0.00 1.11 0.00 0.00 32.58 33.01 2diq s HIS 34 CO 0.11 -0.07 2.13 1.55 -0.85 0.00 0.00 174.74 177.61 2diq n VAL 35 N 1.66 0.07 0.00 -0.90 3.14 -1.26 -1.90 118.33 119.14 2diq n VAL 35 Ca -0.21 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 2diq n VAL 35 Cb 0.55 -0.87 0.00 0.00 -1.06 0.00 0.00 33.84 32.46 2diq n VAL 35 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2diq n GLY 36 N 7.00 0.24 4.02 7.55 0.00 0.63 -4.91 105.19 119.72 2diq n GLY 36 Ca 0.49 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.33 2diq n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2diq s ASP 37 N -0.20 5.45 -0.15 1.61 1.01 -0.80 -4.90 116.67 118.69 2diq s ASP 37 Ca 0.00 -0.58 0.00 0.00 0.71 0.00 0.00 52.55 52.68 2diq s ASP 37 Cb 0.00 -0.31 0.02 0.00 1.01 0.00 0.00 42.92 43.64 2diq s ASP 37 CO 0.00 -0.97 -0.14 -0.63 0.21 0.00 0.00 175.17 173.64 2diq s ILE 38 N -2.47 1.55 0.30 0.77 -1.09 -1.26 -1.85 121.20 117.15 2diq s ILE 38 Ca 0.57 -0.62 0.03 0.00 -2.23 0.00 0.00 60.65 58.40 2diq s ILE 38 Cb -0.08 -1.46 -0.04 0.00 -1.58 0.00 0.00 42.46 39.30 2diq s ILE 38 CO 0.35 0.46 0.16 0.68 -1.23 0.00 0.00 174.94 175.36 2diq s VAL 39 N 1.49 0.28 -0.13 2.92 -7.23 -0.82 -4.10 120.40 112.80 2diq s VAL 39 Ca 0.05 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.15 2diq s VAL 39 Cb -0.13 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 2diq s VAL 39 CO -0.11 0.00 0.12 0.00 -0.31 0.00 0.00 175.10 174.80 2diq s ALA 40 N -3.65 3.76 -0.05 1.32 0.00 -0.29 -1.39 121.76 121.46 2diq s ALA 40 Ca 0.36 -0.67 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 2diq s ALA 40 Cb 0.05 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 21.24 2diq s ALA 40 CO 0.18 0.53 0.16 0.00 0.00 0.00 0.00 175.76 176.63 2diq s ALA 41 N -0.74 -0.40 1.07 0.00 0.00 -1.16 -1.28 121.76 119.24 2diq s ALA 41 Ca 0.13 0.38 -0.14 0.00 0.00 0.00 0.00 51.96 52.33 2diq s ALA 41 Cb -0.12 -0.22 0.22 0.00 0.00 0.00 0.00 23.12 23.01 2diq s ALA 41 CO 0.03 -0.10 1.10 -1.25 0.00 0.00 0.00 175.76 175.54 2diq s PRO 42 N -0.13 -0.13 -0.11 0.00 0.04 -1.26 -0.70 135.00 132.71 2diq s PRO 42 Ca -0.02 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.35 2diq s PRO 42 Cb -0.02 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.85 2diq s PRO 42 CO 0.00 -3.06 -0.09 -1.17 0.04 0.00 0.00 177.00 172.72 2diq s LEU 43 N -6.63 1.31 0.07 -3.56 2.96 0.11 -4.81 118.68 108.15 2diq s LEU 43 Ca 0.67 -0.33 0.17 0.00 -0.22 0.00 0.00 54.13 54.42 2diq s LEU 43 Cb -0.16 -0.89 0.71 0.00 0.50 0.00 0.00 46.19 46.35 2diq s LEU 43 CO 0.57 -0.09 1.53 -0.81 -1.32 0.00 0.00 176.35 176.23 2diq n PRO 44 N 4.77 0.06 -0.06 0.98 -0.04 -1.26 0.21 135.00 139.66 2diq n PRO 44 Ca -0.14 0.31 -0.21 0.00 -0.04 0.00 0.00 63.50 63.41 2diq n PRO 44 Cb 0.50 -1.61 -0.13 0.00 -0.04 0.00 0.00 33.50 32.23 2diq n PRO 44 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2diq n THR 45 N -1.71 1.65 -0.10 0.52 -2.24 -1.26 -4.69 114.28 106.44 2diq n THR 45 Ca 0.03 -0.52 -0.17 0.00 -2.27 0.00 0.00 64.05 61.12 2diq n THR 45 Cb 0.18 -1.71 -0.09 0.00 -2.10 0.00 0.00 70.33 66.62 2diq n THR 45 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2diq n ASN 46 N -3.63 2.17 0.00 3.42 2.85 -1.16 -5.04 115.26 113.87 2diq n ASN 46 Ca -0.38 -0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.09 2diq n ASN 46 Cb 0.97 -0.41 0.00 0.00 1.24 0.00 0.00 39.78 41.57 2diq n ASN 46 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2diq n GLY 47 N 2.27 1.38 3.47 8.20 0.00 0.58 -5.00 105.19 116.09 2diq n GLY 47 Ca -0.38 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 2diq n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2diq s SER 48 N -2.06 2.69 -0.07 1.61 0.01 -1.25 -4.72 113.70 109.91 2diq s SER 48 Ca 0.00 -1.33 -0.13 0.00 1.31 0.00 0.00 55.95 55.79 2diq s SER 48 Cb 0.00 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.03 2diq s SER 48 CO 0.00 -0.52 0.33 0.26 0.41 0.00 0.00 173.24 173.72 2diq s TRP 49 N -3.15 3.63 -0.01 2.43 0.52 -1.26 0.08 118.94 121.18 2diq s TRP 49 Ca 0.35 0.80 0.02 0.00 0.02 0.00 0.00 56.10 57.28 2diq s TRP 49 Cb 0.08 -2.25 0.00 0.00 -1.15 0.00 0.00 33.47 30.15 2diq s TRP 49 CO 0.15 0.54 -0.05 0.71 0.02 0.00 0.00 176.95 178.31 2diq s TYR 50 N -0.59 0.57 -0.26 -1.98 2.02 0.12 -4.54 117.35 112.70 2diq s TYR 50 Ca 0.20 -0.12 -0.28 0.00 -0.37 0.00 0.00 57.07 56.51 2diq s TYR 50 Cb -0.15 -0.42 -0.04 0.00 -0.40 0.00 0.00 41.96 40.95 2diq s TYR 50 CO 0.09 -0.05 2.13 1.03 -1.57 0.00 0.00 175.55 177.18 2diq s ARG 51 N 0.15 3.13 0.34 -0.62 0.52 -1.26 -3.00 118.95 118.21 2diq s ARG 51 Ca -0.01 1.86 0.09 0.00 -0.52 0.00 0.00 55.73 57.15 2diq s ARG 51 Cb -0.06 -4.34 -0.06 0.00 0.52 0.00 0.00 34.95 31.01 2diq s ARG 51 CO -0.00 -2.10 -0.05 0.00 0.02 0.00 0.00 175.30 173.17 2diq s ALA 52 N 8.15 3.07 -0.16 2.13 0.00 -0.49 -2.08 121.76 132.38 2diq s ALA 52 Ca 0.96 -2.01 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 2diq s ALA 52 Cb -0.30 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 2diq s ALA 52 CO 0.34 0.09 -0.13 0.50 0.00 0.00 0.00 175.76 176.57 2diq s ARG 53 N -3.66 3.31 0.22 0.00 3.00 0.14 -1.94 118.95 120.02 2diq s ARG 53 Ca 0.33 -0.70 -0.31 0.00 -1.00 0.00 0.00 55.73 54.06 2diq s ARG 53 Cb 0.01 -2.69 -0.10 0.00 0.00 0.00 0.00 34.95 32.16 2diq s ARG 53 CO 0.18 0.06 1.52 0.08 0.00 0.00 0.00 175.30 177.14 2diq s VAL 54 N 0.74 2.54 -0.17 7.11 1.01 -0.77 0.10 120.40 130.95 2diq s VAL 54 Ca -0.05 0.42 0.08 0.00 0.00 0.00 0.00 61.98 62.42 2diq s VAL 54 Cb -0.15 -3.27 -0.11 0.00 0.00 0.00 0.00 36.38 32.85 2diq s VAL 54 CO 0.01 0.05 0.25 0.18 0.00 0.00 0.00 175.10 175.59 2diq n LEU 55 N 3.02 0.17 0.00 3.92 4.77 0.21 -0.27 117.00 128.82 2diq n LEU 55 Ca 0.10 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2diq n LEU 55 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2diq n LEU 55 CO 0.61 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 2diq n GLY 56 N 1.65 -0.01 2.95 -0.72 0.00 -1.26 -4.72 105.19 103.09 2diq n GLY 56 Ca -0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 2diq n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2diq s THR 57 N 0.00 0.05 0.87 2.61 2.01 -1.26 -3.71 115.64 116.21 2diq s THR 57 Ca 0.00 -0.44 -0.09 0.00 0.31 0.00 0.00 61.69 61.47 2diq s THR 57 Cb 0.00 -0.17 0.19 0.00 0.01 0.00 0.00 72.50 72.52 2diq s THR 57 CO 0.00 -0.24 1.19 -0.76 -0.69 0.00 0.00 174.62 174.12 2diq s LEU 58 N -0.72 2.84 0.44 4.42 1.43 0.10 -4.84 118.68 122.35 2diq s LEU 58 Ca -0.08 -0.16 0.24 0.00 -1.03 0.00 0.00 54.13 53.10 2diq s LEU 58 Cb -0.05 -1.92 0.89 0.00 0.03 0.00 0.00 46.19 45.14 2diq s LEU 58 CO -0.00 -2.46 1.81 -0.08 0.23 0.00 0.00 176.35 175.85 2diq h GLU 59 N -1.20 0.00 0.16 1.70 4.81 -2.02 -3.15 114.58 114.89 2diq h GLU 59 Ca -0.39 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.50 2diq h GLU 59 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2diq h GLU 59 CO 0.35 0.22 -1.71 -2.95 -0.73 0.00 0.00 179.01 174.19 2diq h ASN 60 N 0.00 0.54 0.00 1.04 -1.07 -2.06 -3.48 115.58 110.54 2diq h ASN 60 Ca -0.00 -0.81 0.00 0.00 0.07 0.00 0.00 56.30 55.56 2diq h ASN 60 Cb 0.77 -0.18 0.00 0.00 -2.07 0.00 0.00 38.32 36.85 2diq h ASN 60 CO 0.03 1.68 0.00 0.61 0.07 0.00 0.00 177.43 179.82 2diq n GLY 61 N 1.81 1.54 3.12 9.14 0.00 -1.19 -5.14 105.19 114.47 2diq n GLY 61 Ca -0.23 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 2diq n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2diq n ASN 62 N 0.00 -3.29 -4.16 1.61 4.13 -1.26 -4.42 115.26 107.87 2diq n ASN 62 Ca 0.00 -0.52 -0.32 0.00 1.68 0.00 0.00 54.58 55.42 2diq n ASN 62 Cb 0.00 -0.88 -0.16 0.00 -1.54 0.00 0.00 39.78 37.19 2diq n ASN 62 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2diq s LEU 63 N -3.01 2.09 -0.40 3.41 1.43 -0.87 -0.72 118.68 120.61 2diq s LEU 63 Ca 0.49 -0.60 -0.28 0.00 -1.03 0.00 0.00 54.13 52.72 2diq s LEU 63 Cb -0.10 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 2diq s LEU 63 CO 0.45 0.07 1.89 -0.62 0.23 0.00 0.00 176.35 178.37 2diq s ASP 64 N 0.88 5.59 -0.00 2.29 -1.08 -1.24 -3.23 116.67 119.88 2diq s ASP 64 Ca -0.06 1.09 -0.06 0.00 -0.52 0.00 0.00 52.55 53.01 2diq s ASP 64 Cb -0.15 -2.52 -0.05 0.00 -1.46 0.00 0.00 42.92 38.74 2diq s ASP 64 CO -0.03 -1.98 0.25 -0.76 0.52 0.00 0.00 175.17 173.17 2diq s LEU 65 N 7.95 4.37 -0.33 -1.34 1.43 0.14 0.65 118.68 131.55 2diq s LEU 65 Ca 0.80 0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 54.41 2diq s LEU 65 Cb -0.20 -2.63 0.07 0.00 0.03 0.00 0.00 46.19 43.45 2diq s LEU 65 CO 0.30 0.26 0.05 -0.47 0.23 0.00 0.00 176.35 176.73 2diq s TYR 66 N -1.29 3.38 -0.40 0.29 5.04 0.28 -0.27 117.35 124.38 2diq s TYR 66 Ca 0.27 -2.07 -0.27 0.00 -2.44 0.00 0.00 57.07 52.55 2diq s TYR 66 Cb -0.13 -2.44 -0.07 0.00 0.35 0.00 0.00 41.96 39.67 2diq s TYR 66 CO 0.16 -0.85 2.35 1.19 -1.34 0.00 0.00 175.55 177.06 2diq n PHE 67 N 4.59 1.60 1.10 4.97 3.01 -0.85 0.23 117.46 132.12 2diq n PHE 67 Ca -0.09 0.05 0.14 0.00 1.01 0.00 0.00 57.45 58.55 2diq n PHE 67 Cb 0.43 -2.66 0.64 0.00 -0.01 0.00 0.00 39.48 37.88 2diq n PHE 67 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 2diq n VAL 68 N 7.88 0.05 -0.05 -4.37 0.24 -0.88 0.19 118.33 121.39 2diq n VAL 68 Ca 0.36 0.01 -0.03 0.00 -2.04 0.00 0.00 64.34 62.64 2diq n VAL 68 Cb 0.49 -0.53 -0.14 0.00 -1.47 0.00 0.00 33.84 32.18 2diq n VAL 68 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2diq n ASP 69 N -1.43 0.25 -0.01 -1.34 8.00 -1.25 0.95 116.55 121.72 2diq n ASP 69 Ca 0.09 0.11 -0.02 0.00 0.71 0.00 0.00 54.79 55.69 2diq n ASP 69 Cb 0.30 0.95 -0.01 0.00 -0.02 0.00 0.00 41.12 42.34 2diq n ASP 69 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2diq n PHE 70 N -2.70 0.00 0.00 1.24 3.01 -1.20 -3.61 117.46 114.20 2diq n PHE 70 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.25 2diq n PHE 70 Cb 0.96 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 40.33 2diq n PHE 70 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2diq n GLY 71 N 3.31 2.10 2.68 1.37 0.00 0.51 -4.81 105.19 110.35 2diq n GLY 71 Ca -0.04 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 2diq n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2diq n ASP 72 N 0.10 -3.16 -4.40 1.61 8.00 -1.26 -4.45 116.55 113.01 2diq n ASP 72 Ca 0.00 -0.49 -0.30 0.00 0.71 0.00 0.00 54.79 54.71 2diq n ASP 72 Cb 0.00 -0.72 -0.13 0.00 -0.02 0.00 0.00 41.12 40.24 2diq n ASP 72 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2diq s ASN 73 N -2.24 3.42 0.19 -2.24 -0.87 -1.26 -2.00 114.94 109.94 2diq s ASN 73 Ca 0.38 -0.59 -0.00 0.00 -1.57 0.00 0.00 52.86 51.07 2diq s ASN 73 Cb -0.07 -0.37 -0.04 0.00 -0.02 0.00 0.00 41.25 40.75 2diq s ASN 73 CO 0.32 0.23 0.09 -0.83 -2.57 0.00 0.00 177.10 174.34 2diq s GLY 74 N -1.58 1.36 -0.18 0.66 0.00 0.63 -4.94 107.32 103.27 2diq s GLY 74 Ca 0.14 -1.66 -0.11 0.00 0.00 0.00 0.00 44.72 43.08 2diq s GLY 74 CO 0.05 -1.44 0.44 0.51 0.00 0.00 0.00 173.10 172.65 2diq s ASP 75 N -3.16 -0.53 -0.11 1.64 -4.77 -1.26 0.28 116.67 108.76 2diq s ASP 75 Ca 0.33 0.93 -0.30 0.00 -3.30 0.00 0.00 52.55 50.22 2diq s ASP 75 Cb 0.07 0.84 0.12 0.00 -1.09 0.00 0.00 42.92 42.86 2diq s ASP 75 CO 0.09 -0.19 0.96 0.00 0.70 0.00 0.00 175.17 176.73 2diq s PRO 77 N -1.75 4.46 0.34 0.00 0.04 -1.26 -2.05 135.00 134.78 2diq s PRO 77 Ca 0.00 2.06 0.14 0.00 0.04 0.00 0.00 61.00 63.24 2diq s PRO 77 Cb -0.01 -3.11 1.09 0.00 0.04 0.00 0.00 34.50 32.51 2diq s PRO 77 CO -0.01 -0.04 1.64 1.25 0.04 0.00 0.00 177.00 179.88 2diq h LEU 78 N 3.53 0.37 -1.31 -3.56 6.46 -1.93 1.06 115.31 119.93 2diq h LEU 78 Ca -0.48 0.21 0.06 0.00 -0.12 0.00 0.00 57.88 57.55 2diq h LEU 78 Cb 1.22 0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 41.30 2diq h LEU 78 CO 0.66 -0.22 0.51 0.07 -0.62 0.00 0.00 178.44 178.84 2diq h LYS 79 N 0.23 0.82 -0.00 1.25 5.09 -1.91 0.16 116.57 122.20 2diq h LYS 79 Ca 0.73 -0.05 0.00 0.00 0.09 0.00 0.00 60.65 61.42 2diq h LYS 79 Cb 1.71 -0.19 0.00 0.00 0.10 0.00 0.00 32.23 33.86 2diq h LYS 79 CO -0.66 0.54 -0.03 -0.25 -2.09 0.00 0.00 179.45 176.96 2diq n ASP 80 N -4.48 0.08 -4.94 7.07 8.00 0.36 -4.19 116.55 118.45 2diq n ASP 80 Ca 0.11 -0.12 -0.25 0.00 0.71 0.00 0.00 54.79 55.24 2diq n ASP 80 Cb 0.21 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.01 2diq n ASP 80 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2diq s LEU 81 N -2.63 4.21 -0.07 0.64 1.43 0.55 -4.54 118.68 118.28 2diq s LEU 81 Ca 0.26 0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 53.69 2diq s LEU 81 Cb 0.20 -3.12 0.02 0.00 0.03 0.00 0.00 46.19 43.33 2diq s LEU 81 CO 0.48 -0.10 -0.03 -0.13 0.23 0.00 0.00 176.35 176.80 2diq s ARG 82 N -3.67 0.86 0.19 1.70 1.81 -0.41 -4.18 118.95 115.26 2diq s ARG 82 Ca 0.38 -0.04 -0.31 0.00 -1.72 0.00 0.00 55.73 54.03 2diq s ARG 82 Cb -0.10 -1.02 -0.16 0.00 -0.45 0.00 0.00 34.95 33.22 2diq s ARG 82 CO 0.30 -0.20 1.01 0.00 -0.68 0.00 0.00 175.30 175.73 2diq n ALA 83 N 4.67 -1.20 -2.71 2.13 0.00 -1.26 -1.14 120.51 120.99 2diq n ALA 83 Ca -0.15 0.45 -0.41 0.00 0.00 0.00 0.00 53.44 53.33 2diq n ALA 83 Cb 0.50 -1.93 -0.04 0.00 0.00 0.00 0.00 19.45 17.98 2diq n ALA 83 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2diq s LEU 84 N 0.96 4.32 0.46 0.00 2.96 -1.26 -4.72 118.68 121.41 2diq s LEU 84 Ca 0.69 1.36 -0.14 0.00 -0.22 0.00 0.00 54.13 55.82 2diq s LEU 84 Cb -0.86 -3.27 -0.07 0.00 0.50 0.00 0.00 46.19 42.49 2diq s LEU 84 CO 0.55 -0.19 0.89 -0.13 -1.32 0.00 0.00 176.35 176.15 2diq s ARG 85 N 0.99 3.89 0.55 1.98 0.52 -1.26 -4.95 118.95 120.68 2diq s ARG 85 Ca 0.43 0.76 0.24 0.00 -0.52 0.00 0.00 55.73 56.64 2diq s ARG 85 Cb -0.19 -2.25 1.47 0.00 0.52 0.00 0.00 34.95 34.50 2diq s ARG 85 CO 0.21 -0.15 2.08 1.03 0.02 0.00 0.00 175.30 178.49 2diq h SER 86 N 1.14 0.00 0.44 0.23 0.87 -1.98 0.15 113.55 114.39 2diq h SER 86 Ca -0.47 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.06 2diq h SER 86 Cb 1.18 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2diq h SER 86 CO 0.63 0.00 -0.13 0.44 -0.53 0.00 0.00 176.83 177.23 2diq h ASP 87 N 0.00 0.00 0.54 6.23 5.19 -2.01 -1.61 116.42 124.75 2diq h ASP 87 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 2diq h ASP 87 Cb 0.55 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.06 2diq h ASP 87 CO -0.00 0.13 -1.20 0.49 -3.12 0.00 0.00 179.24 175.54 2diq n PHE 88 N -3.60 0.45 0.13 4.55 3.72 0.47 -4.00 117.46 119.18 2diq n PHE 88 Ca -0.02 0.13 0.11 0.00 -0.05 0.00 0.00 57.45 57.62 2diq n PHE 88 Cb 0.26 -0.62 0.04 0.00 -0.94 0.00 0.00 39.48 38.22 2diq n PHE 88 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2diq h LEU 89 N 0.00 0.00 -1.65 4.37 3.38 -0.94 -3.33 115.31 117.13 2diq h LEU 89 Ca 0.00 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.26 2diq h LEU 89 Cb 0.87 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 2diq h LEU 89 CO 0.00 0.03 0.93 -1.28 0.09 0.00 0.00 178.44 178.21 2diq h SER 90 N 0.00 0.00 -3.17 -0.43 0.87 -1.45 -3.38 113.55 105.99 2diq h SER 90 Ca -0.01 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.96 2diq h SER 90 Cb 1.03 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.93 2diq h SER 90 CO 0.00 0.00 -0.16 -0.22 -0.53 0.00 0.00 176.83 175.92 2diq s LEU 91 N -7.33 4.40 0.79 2.23 0.20 -1.25 -5.07 118.68 112.64 2diq s LEU 91 Ca -0.04 0.93 -0.11 0.00 0.69 0.00 0.00 54.13 55.60 2diq s LEU 91 Cb 0.18 -2.66 0.07 0.00 -0.43 0.00 0.00 46.19 43.35 2diq s LEU 91 CO 0.61 0.19 1.09 -2.16 -0.29 0.00 0.00 176.35 175.80 2diq s PRO 92 N -0.39 2.14 -0.27 0.98 0.04 -1.26 -4.94 135.00 131.29 2diq s PRO 92 Ca 0.25 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 2diq s PRO 92 Cb -0.16 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2diq s PRO 92 CO 0.13 -1.71 1.66 -0.06 0.04 0.00 0.00 177.00 177.05 2diq s PHE 93 N -2.91 2.03 0.07 0.56 0.08 -1.26 -4.89 117.98 111.66 2diq s PHE 93 Ca 0.61 0.58 -0.20 0.00 0.12 0.00 0.00 56.93 58.04 2diq s PHE 93 Cb -0.17 -4.07 -0.11 0.00 -0.57 0.00 0.00 43.02 38.10 2diq s PHE 93 CO 0.56 -2.86 1.53 1.96 -0.10 0.00 0.00 175.22 176.31 2diq h GLN 94 N 11.43 0.29 -4.70 0.44 1.08 -1.76 -3.39 115.11 118.50 2diq h GLN 94 Ca -0.33 -0.08 -0.71 0.00 -1.45 0.00 0.00 58.65 56.08 2diq h GLN 94 Cb 1.15 -0.03 -0.20 0.00 -0.05 0.00 0.00 27.48 28.35 2diq h GLN 94 CO 1.02 0.47 -0.13 0.00 -0.95 0.00 0.00 178.83 179.24 2diq s ALA 95 N -5.14 3.46 0.01 3.87 0.00 0.27 -4.96 121.76 119.27 2diq s ALA 95 Ca -0.14 -1.86 -0.15 0.00 0.00 0.00 0.00 51.96 49.82 2diq s ALA 95 Cb 0.06 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.92 2diq s ALA 95 CO 0.72 -1.85 0.41 0.42 0.00 0.00 0.00 175.76 175.46 2diq s ILE 96 N 2.19 5.02 0.40 0.00 -1.09 -1.26 -4.45 121.20 122.01 2diq s ILE 96 Ca 0.10 0.84 -0.19 0.00 -2.23 0.00 0.00 60.65 59.17 2diq s ILE 96 Cb -0.21 -3.71 -0.15 0.00 -1.58 0.00 0.00 42.46 36.81 2diq s ILE 96 CO 0.10 0.57 0.04 -1.84 -1.23 0.00 0.00 174.94 172.58 2diq n GLU 97 N 1.78 0.00 -1.45 2.79 0.28 -1.26 -4.71 120.64 118.06 2diq n GLU 97 Ca -0.14 0.00 -0.47 0.00 -0.16 0.00 0.00 57.16 56.40 2diq n GLU 97 Cb 0.52 -0.94 -0.02 0.00 1.43 0.00 0.00 31.44 32.43 2diq n GLU 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2diq s SER 99 N -0.87 1.73 -0.28 0.00 0.01 -1.26 -5.08 113.70 107.94 2diq s SER 99 Ca 0.62 -1.68 -0.33 0.00 1.31 0.00 0.00 55.95 55.87 2diq s SER 99 Cb -0.85 0.51 -0.15 0.00 0.21 0.00 0.00 66.02 65.74 2diq s SER 99 CO 0.57 -0.99 1.09 0.18 0.41 0.00 0.00 173.24 174.50 2diq n LEU 100 N -0.64 0.69 -4.53 2.44 4.77 -1.26 -4.80 117.00 113.66 2diq n LEU 100 Ca 0.03 0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 56.46 2diq n LEU 100 Cb 0.64 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2diq n LEU 100 CO 0.33 -0.79 0.92 0.00 -1.33 0.00 0.00 177.39 176.52 2diq s ALA 101 N 1.71 3.03 -0.27 -1.18 0.00 -1.26 -4.99 121.76 118.80 2diq s ALA 101 Ca 0.75 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 51.47 2diq s ALA 101 Cb -1.06 -3.94 0.06 0.00 0.00 0.00 0.00 23.12 18.18 2diq s ALA 101 CO 0.56 -2.70 -0.09 1.03 0.00 0.00 0.00 175.76 174.56 2diq s ARG 102 N 4.58 2.28 0.30 0.00 0.52 -1.26 -5.11 118.95 120.26 2diq s ARG 102 Ca 0.33 -1.33 0.07 0.00 -0.52 0.00 0.00 55.73 54.29 2diq s ARG 102 Cb -0.11 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.40 2diq s ARG 102 CO 0.18 -0.57 0.25 0.96 0.02 0.00 0.00 175.30 176.14 2diq s ILE 103 N 1.13 3.94 -0.06 1.52 -5.25 -1.26 -5.14 121.20 116.08 2diq s ILE 103 Ca -0.08 -1.39 -0.31 0.00 -0.99 0.00 0.00 60.65 57.88 2diq s ILE 103 Cb -0.20 -3.28 0.08 0.00 2.95 0.00 0.00 42.46 42.01 2diq s ILE 103 CO -0.04 -0.25 0.71 0.00 -1.79 0.00 0.00 174.94 173.56 2diq s ALA 104 N -2.23 -1.78 0.28 2.27 0.00 -1.26 -5.16 121.76 113.87 2diq s ALA 104 Ca 0.37 1.36 -0.17 0.00 0.00 0.00 0.00 51.96 53.52 2diq s ALA 104 Cb -0.07 -0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.88 2diq s ALA 104 CO 0.26 -0.36 0.74 -1.54 0.00 0.00 0.00 175.76 174.85 2diq s SER 105 N -1.15 6.91 -0.28 0.00 1.04 -1.26 -5.08 113.70 113.89 2diq s SER 105 Ca -0.10 1.35 -0.25 0.00 0.48 0.00 0.00 55.95 57.43 2diq s SER 105 Cb -0.00 -2.40 0.11 0.00 0.10 0.00 0.00 66.02 63.83 2diq s SER 105 CO 0.09 -0.10 0.98 -0.83 0.98 0.00 0.00 173.24 174.36 2diq s GLY 106 N -1.99 -0.22 0.09 7.32 0.00 -1.26 -5.14 107.32 106.12 2diq s GLY 106 Ca 0.49 2.56 -0.31 0.00 0.00 0.00 0.00 44.72 47.46 2diq s GLY 106 CO 0.19 1.80 1.38 2.56 0.00 0.00 0.00 173.10 179.02 2diq s PRO 107 N 0.21 4.32 -0.18 2.90 0.04 -1.26 -4.95 135.00 136.08 2diq s PRO 107 Ca 0.03 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.96 2diq s PRO 107 Cb -0.05 -3.31 -0.08 0.00 0.04 0.00 0.00 34.50 31.11 2diq s PRO 107 CO -0.05 -0.44 -0.18 0.45 0.04 0.00 0.00 177.00 176.82 2diq n SER 108 N 4.17 1.87 -3.15 6.66 2.88 -1.26 -4.98 113.62 119.80 2diq n SER 108 Ca 0.11 0.48 0.04 0.00 -1.33 0.00 0.00 58.87 58.18 2diq n SER 108 Cb 0.43 -0.85 -0.01 0.00 -0.75 0.00 0.00 64.21 63.03 2diq n SER 108 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2diq s SER 109 N -6.18 -1.41 0.00 -3.46 1.04 -1.26 -5.12 113.70 97.31 2diq s SER 109 Ca -0.24 0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.92 2diq s SER 109 Cb 0.05 2.13 0.00 0.00 0.10 0.00 0.00 66.02 68.29 2diq s SER 109 CO 0.37 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.93