#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 0.87 -0.30 1.61 1.04 -1.26 -4.89 113.70 110.77 2diq s SER 2 Ca 0.00 1.22 -0.29 0.00 0.48 0.00 0.00 55.95 57.36 2diq s SER 2 Cb 0.00 -1.86 -0.01 0.00 0.10 0.00 0.00 66.02 64.24 2diq s SER 2 CO 0.00 -4.22 1.60 -0.55 0.98 0.00 0.00 173.24 171.04 2diq s SER 3 N -2.96 6.25 0.96 7.02 0.15 -1.26 -5.00 113.70 118.87 2diq s SER 3 Ca 0.68 1.31 -0.02 0.00 0.70 0.00 0.00 55.95 58.62 2diq s SER 3 Cb -0.20 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.61 2diq s SER 3 CO 0.61 -1.41 0.19 0.61 1.20 0.00 0.00 173.24 174.44 2diq n GLY 4 N 4.95 -1.05 3.56 9.45 0.00 -1.26 -5.12 105.19 115.71 2diq n GLY 4 Ca 0.19 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 2diq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2diq s SER 5 N -1.70 -0.32 -0.30 1.61 0.15 -1.26 -5.16 113.70 106.72 2diq s SER 5 Ca 0.11 0.20 -0.06 0.00 0.70 0.00 0.00 55.95 56.90 2diq s SER 5 Cb -0.00 0.29 0.16 0.00 -1.71 0.00 0.00 66.02 64.76 2diq s SER 5 CO 0.08 -0.40 0.66 -0.44 1.20 0.00 0.00 173.24 174.33 2diq s SER 6 N -1.70 -1.21 -0.88 5.45 0.01 -1.26 -5.10 113.70 109.01 2diq s SER 6 Ca 0.03 1.15 -0.25 0.00 1.31 0.00 0.00 55.95 58.19 2diq s SER 6 Cb -0.01 2.17 -0.02 0.00 0.21 0.00 0.00 66.02 68.38 2diq s SER 6 CO -0.03 -0.23 1.81 -0.83 0.41 0.00 0.00 173.24 174.37 2diq s GLY 7 N 2.86 0.43 -0.27 3.44 0.00 -1.26 -4.88 107.32 107.64 2diq s GLY 7 Ca 0.08 -1.54 -0.22 0.00 0.00 0.00 0.00 44.72 43.04 2diq s GLY 7 CO -0.20 3.29 0.74 -1.60 0.00 0.00 0.00 173.10 175.33 2diq s ARG 8 N 6.56 0.76 0.20 2.90 3.52 -1.26 -5.15 118.95 126.48 2diq s ARG 8 Ca 0.63 1.03 0.08 0.00 -0.13 0.00 0.00 55.73 57.35 2diq s ARG 8 Cb -0.06 0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 33.59 2diq s ARG 8 CO 0.01 -0.11 -0.01 -1.12 -0.81 0.00 0.00 175.30 173.26 2diq s SER 9 N 0.79 4.68 0.06 -2.12 0.01 -1.26 -5.02 113.70 110.84 2diq s SER 9 Ca -0.03 -0.47 -0.24 0.00 1.31 0.00 0.00 55.95 56.52 2diq s SER 9 Cb -0.05 -0.95 -0.17 0.00 0.21 0.00 0.00 66.02 65.06 2diq s SER 9 CO -0.07 0.07 1.60 -0.07 0.41 0.00 0.00 173.24 175.18 2diq h LEU 10 N 2.51 -0.06 -1.31 2.44 3.38 -2.02 -0.37 115.31 119.88 2diq h LEU 10 Ca -0.46 -0.12 0.19 0.00 0.09 0.00 0.00 57.88 57.58 2diq h LEU 10 Cb 1.21 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 2diq h LEU 10 CO 0.58 0.08 0.60 1.56 0.09 0.00 0.00 178.44 181.36 2diq h GLN 11 N -0.20 0.56 0.16 1.13 4.20 -1.99 0.29 115.11 119.26 2diq h GLN 11 Ca -0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2diq h GLN 11 Cb 0.18 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2diq h GLN 11 CO 0.01 0.37 -0.08 1.25 -0.67 0.00 0.00 178.83 179.72 2diq h LEU 12 N 0.58 -0.18 -1.47 1.46 5.85 -1.90 -2.77 115.31 116.88 2diq h LEU 12 Ca 0.51 0.01 0.39 0.00 0.84 0.00 0.00 57.88 59.62 2diq h LEU 12 Cb 1.02 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.98 2diq h LEU 12 CO -0.25 0.07 0.83 -0.78 -0.34 0.00 0.00 178.44 177.97 2diq h ASP 13 N -0.61 0.27 -0.15 1.25 3.58 -0.87 1.06 116.42 120.95 2diq h ASP 13 Ca -0.02 0.10 -0.15 0.00 0.42 0.00 0.00 57.03 57.38 2diq h ASP 13 Cb 0.16 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 2diq h ASP 13 CO 0.04 -0.08 -0.43 0.50 -2.88 0.00 0.00 179.24 176.38 2diq h LYS 14 N 0.16 0.70 -0.18 0.28 3.11 -1.01 -2.63 116.57 117.00 2diq h LYS 14 Ca 0.74 -0.38 -0.17 0.00 -2.81 0.00 0.00 60.65 58.03 2diq h LYS 14 Cb 2.30 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 33.55 2diq h LYS 14 CO -0.33 0.99 -0.58 1.25 -2.81 0.00 0.00 179.45 177.97 2diq h LEU 15 N 0.57 0.66 -0.70 5.20 5.85 0.14 -2.86 115.31 124.18 2diq h LEU 15 Ca 0.04 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.34 2diq h LEU 15 Cb 0.98 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2diq h LEU 15 CO 0.09 1.10 0.23 0.58 -0.34 0.00 0.00 178.44 180.10 2diq h VAL 16 N 0.45 1.25 0.21 1.05 2.07 -0.96 -2.35 116.25 117.98 2diq h VAL 16 Ca 0.00 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 2diq h VAL 16 Cb 1.14 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2diq h VAL 16 CO 0.11 0.34 -0.10 -1.13 0.02 0.00 0.00 177.57 176.81 2diq h ASN 17 N 1.01 -0.24 -0.20 0.57 -1.24 -1.44 -2.03 115.58 112.01 2diq h ASN 17 Ca 0.23 -0.11 0.06 0.00 0.71 0.00 0.00 56.30 57.18 2diq h ASN 17 Cb 0.28 0.06 -0.07 0.00 0.73 0.00 0.00 38.32 39.33 2diq h ASN 17 CO -0.01 -0.03 -0.26 -0.33 -1.29 0.00 0.00 177.43 175.51 2diq h GLU 18 N -0.45 -0.28 0.12 6.67 5.08 -1.44 0.05 114.58 124.33 2diq h GLU 18 Ca -0.03 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2diq h GLU 18 Cb 0.34 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2diq h GLU 18 CO 0.05 -0.19 -0.19 0.52 -1.00 0.00 0.00 179.01 178.20 2diq h MET 19 N -0.29 -0.32 0.00 2.33 2.86 -1.40 -2.23 114.93 115.89 2diq h MET 19 Ca 0.12 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2diq h MET 19 Cb 0.48 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2diq h MET 19 CO -0.36 -0.21 0.00 2.41 1.06 0.00 0.00 176.91 179.80 2diq n THR 20 N -3.49 0.00 -0.44 2.22 -1.04 -0.77 0.07 114.28 110.83 2diq n THR 20 Ca -0.04 1.44 0.34 0.00 -2.04 0.00 0.00 64.05 63.76 2diq n THR 20 Cb 0.16 -2.12 0.55 0.00 -1.82 0.00 0.00 70.33 67.10 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 -2.44 -0.01 -0.01 -2.82 1.13 -0.01 0.17 117.38 113.39 2diq n GLN 21 Ca 0.00 0.84 -0.00 0.00 -1.94 0.00 0.00 57.00 55.90 2diq n GLN 21 Cb 0.00 -1.81 -0.00 0.00 0.11 0.00 0.00 30.24 28.54 2diq n GLN 21 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2diq h HIS 22 N 0.00 0.00 0.29 1.08 2.76 -0.22 -3.37 115.15 115.69 2diq h HIS 22 Ca 0.66 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.82 2diq h HIS 22 Cb 2.43 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 31.39 2diq h HIS 22 CO -0.00 0.00 -0.16 1.88 -1.30 0.00 0.00 177.93 178.35 2diq h TYR 23 N -0.21 -0.40 -0.63 5.26 0.05 0.17 -2.68 116.97 118.52 2diq h TYR 23 Ca 0.00 -0.01 0.26 0.00 0.05 0.00 0.00 58.73 59.03 2diq h TYR 23 Cb 0.03 0.14 -0.11 0.00 1.01 0.00 0.00 36.73 37.80 2diq h TYR 23 CO -0.01 -0.25 0.32 -0.85 -1.05 0.00 0.00 178.16 176.32 2diq n GLU 24 N -5.28 -0.04 -2.71 4.88 0.28 0.45 0.12 120.64 118.34 2diq n GLU 24 Ca -0.10 0.88 -0.32 0.00 -0.16 0.00 0.00 57.16 57.46 2diq n GLU 24 Cb 0.19 -1.57 -0.01 0.00 1.43 0.00 0.00 31.44 31.48 2diq n GLU 24 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2diq n ASN 25 N -4.46 5.57 -3.61 -1.84 3.02 -1.01 -5.01 115.26 107.92 2diq n ASN 25 Ca 0.24 -3.71 -0.15 0.00 -0.03 0.00 0.00 54.58 50.93 2diq n ASN 25 Cb 0.80 -0.76 -0.07 0.00 -0.61 0.00 0.00 39.78 39.14 2diq n ASN 25 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2diq s SER 26 N -2.70 0.84 0.19 6.41 1.04 0.32 -4.97 113.70 114.83 2diq s SER 26 Ca 0.46 -1.48 -0.03 0.00 0.48 0.00 0.00 55.95 55.38 2diq s SER 26 Cb 0.29 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.91 2diq s SER 26 CO -0.17 -1.09 0.42 0.68 0.98 0.00 0.00 173.24 174.06 2diq s VAL 27 N -3.56 5.15 -0.33 5.02 -7.23 -1.26 -5.03 120.40 113.15 2diq s VAL 27 Ca 0.35 -0.12 -0.29 0.00 -1.81 0.00 0.00 61.98 60.12 2diq s VAL 27 Cb 0.02 -3.69 -0.01 0.00 0.56 0.00 0.00 36.38 33.26 2diq s VAL 27 CO 0.19 -0.11 1.69 -2.16 -0.31 0.00 0.00 175.10 174.40 2diq s PRO 28 N -3.09 3.45 0.06 4.82 0.04 -1.26 -4.99 135.00 134.03 2diq s PRO 28 Ca 0.41 1.35 -0.23 0.00 0.04 0.00 0.00 61.00 62.57 2diq s PRO 28 Cb -0.11 -4.14 -0.06 0.00 0.04 0.00 0.00 34.50 30.23 2diq s PRO 28 CO 0.27 -1.72 0.68 -1.21 0.04 0.00 0.00 177.00 175.06 2diq s GLU 29 N 5.37 4.40 -0.48 4.56 2.02 -1.26 -4.99 118.70 128.32 2diq s GLU 29 Ca 0.75 0.92 -0.16 0.00 0.02 0.00 0.00 54.97 56.50 2diq s GLU 29 Cb -0.21 -3.31 0.08 0.00 0.10 0.00 0.00 34.13 30.79 2diq s GLU 29 CO 0.33 0.44 0.41 0.34 0.02 0.00 0.00 175.26 176.80 2diq s ASP 30 N -0.52 6.15 0.11 -0.19 -1.08 -1.26 -4.61 116.67 115.27 2diq s ASP 30 Ca 0.34 -1.37 0.06 0.00 -0.52 0.00 0.00 52.55 51.07 2diq s ASP 30 Cb -0.20 -2.19 -0.03 0.00 -1.46 0.00 0.00 42.92 39.03 2diq s ASP 30 CO 0.21 -0.67 -0.16 -1.48 0.52 0.00 0.00 175.17 173.59 2diq s LEU 31 N 1.66 2.35 -0.52 -1.34 2.34 -1.26 -5.10 118.68 116.80 2diq s LEU 31 Ca 0.04 -0.73 -0.26 0.00 0.06 0.00 0.00 54.13 53.24 2diq s LEU 31 Cb -0.25 -0.63 0.03 0.00 -0.56 0.00 0.00 46.19 44.79 2diq s LEU 31 CO 0.06 -0.08 1.04 -0.89 -1.06 0.00 0.00 176.35 175.43 2diq s THR 32 N -1.68 4.28 -0.10 5.48 2.01 -1.26 -5.01 115.64 119.36 2diq s THR 32 Ca 0.06 0.73 0.03 0.00 0.31 0.00 0.00 61.69 62.81 2diq s THR 32 Cb -0.07 -4.57 -0.01 0.00 0.01 0.00 0.00 72.50 67.85 2diq s THR 32 CO 0.03 -1.09 -0.19 0.54 -0.69 0.00 0.00 174.62 173.22 2diq s VAL 33 N 4.26 2.52 0.14 3.82 0.11 -1.26 -5.13 120.40 124.86 2diq s VAL 33 Ca 0.38 -0.87 0.11 0.00 -2.93 0.00 0.00 61.98 58.67 2diq s VAL 33 Cb -0.10 -1.99 -0.04 0.00 -1.53 0.00 0.00 36.38 32.72 2diq s VAL 33 CO 0.25 0.55 -0.25 -1.00 -3.33 0.00 0.00 175.10 171.32 2diq s HIS 34 N 0.12 2.33 -0.58 1.54 3.76 -1.26 -5.04 115.29 116.16 2diq s HIS 34 Ca -0.10 -0.36 -0.39 0.00 -0.15 0.00 0.00 55.06 54.06 2diq s HIS 34 Cb -0.16 -1.23 -0.18 0.00 1.11 0.00 0.00 32.58 32.12 2diq s HIS 34 CO 0.06 0.38 2.28 1.55 -0.85 0.00 0.00 174.74 178.16 2diq n VAL 35 N 0.73 0.03 0.00 -0.90 3.14 -1.26 -1.32 118.33 118.76 2diq n VAL 35 Ca -0.16 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 2diq n VAL 35 Cb 0.54 -0.80 0.00 0.00 -1.06 0.00 0.00 33.84 32.52 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 7.05 1.26 3.86 7.55 0.00 0.24 -4.90 105.19 120.25 2diq n GLY 36 Ca 0.54 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.32 6.26 -0.14 1.61 1.01 -0.44 -4.79 116.67 119.86 2diq s ASP 37 Ca 0.00 1.47 -0.02 0.00 0.71 0.00 0.00 52.55 54.71 2diq s ASP 37 Cb 0.00 -2.48 -0.02 0.00 1.01 0.00 0.00 42.92 41.43 2diq s ASP 37 CO 0.00 -0.85 -0.09 -0.63 0.21 0.00 0.00 175.17 173.81 2diq s ILE 38 N -3.04 3.39 0.32 0.77 -1.09 -1.26 -1.92 121.20 118.37 2diq s ILE 38 Ca 0.56 -0.54 0.01 0.00 -2.23 0.00 0.00 60.65 58.45 2diq s ILE 38 Cb -0.11 -2.45 -0.01 0.00 -1.58 0.00 0.00 42.46 38.30 2diq s ILE 38 CO 0.49 0.51 0.37 0.68 -1.23 0.00 0.00 174.94 175.75 2diq s VAL 39 N 0.39 0.00 -0.08 2.92 -7.23 -1.22 -4.18 120.40 111.00 2diq s VAL 39 Ca -0.08 -1.78 -0.01 0.00 -1.81 0.00 0.00 61.98 58.29 2diq s VAL 39 Cb -0.15 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 2diq s VAL 39 CO 0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 175.10 174.83 2diq s ALA 40 N -3.34 3.25 -0.05 1.32 0.00 0.38 -2.22 121.76 121.11 2diq s ALA 40 Ca 0.35 -0.82 -0.06 0.00 0.00 0.00 0.00 51.96 51.43 2diq s ALA 40 Cb 0.01 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.70 2diq s ALA 40 CO 0.22 0.59 0.15 0.00 0.00 0.00 0.00 175.76 176.72 2diq s ALA 41 N -0.88 -0.37 0.92 0.00 0.00 -1.17 -1.28 121.76 118.98 2diq s ALA 41 Ca 0.13 0.34 -0.12 0.00 0.00 0.00 0.00 51.96 52.32 2diq s ALA 41 Cb -0.11 -0.20 0.14 0.00 0.00 0.00 0.00 23.12 22.96 2diq s ALA 41 CO 0.02 -0.09 1.09 -1.25 0.00 0.00 0.00 175.76 175.53 2diq s PRO 42 N -0.15 1.04 -0.16 0.00 0.04 -1.26 -0.74 135.00 133.77 2diq s PRO 42 Ca -0.02 0.74 0.01 0.00 0.04 0.00 0.00 61.00 61.77 2diq s PRO 42 Cb -0.02 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.75 2diq s PRO 42 CO 0.00 -2.37 -0.18 -1.17 0.04 0.00 0.00 177.00 173.32 2diq s LEU 43 N -6.28 1.97 0.45 -3.56 2.96 0.43 -4.84 118.68 109.81 2diq s LEU 43 Ca 0.64 -0.59 0.30 0.00 -0.22 0.00 0.00 54.13 54.27 2diq s LEU 43 Cb -0.18 -1.37 1.26 0.00 0.50 0.00 0.00 46.19 46.40 2diq s LEU 43 CO 0.57 -0.01 1.90 1.55 -1.32 0.00 0.00 176.35 179.04 2diq h PRO 44 N 7.88 0.00 0.06 0.98 0.13 -1.95 1.83 132.00 140.94 2diq h PRO 44 Ca -0.42 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.41 2diq h PRO 44 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 2diq h PRO 44 CO 0.59 0.00 -1.65 0.25 -0.23 0.00 0.00 178.00 176.96 2diq n THR 45 N -2.78 1.66 -0.09 1.56 -2.24 -1.26 -4.61 114.28 106.51 2diq n THR 45 Ca 0.01 -0.34 -0.21 0.00 -2.27 0.00 0.00 64.05 61.24 2diq n THR 45 Cb 0.27 -1.89 -0.12 0.00 -2.10 0.00 0.00 70.33 66.49 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 -3.97 2.01 -0.21 3.42 2.85 -1.20 -5.04 115.26 113.12 2diq n ASN 46 Ca -0.33 0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.24 2diq n ASN 46 Cb 0.86 -0.66 0.00 0.00 1.24 0.00 0.00 39.78 41.22 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 1.93 0.83 3.31 8.20 0.00 0.62 -5.00 105.19 115.08 2diq n GLY 47 Ca -0.42 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.11 -0.22 0.18 1.61 0.01 -1.23 -4.80 113.70 107.14 2diq s SER 48 Ca 0.00 -0.19 -0.28 0.00 1.31 0.00 0.00 55.95 56.79 2diq s SER 48 Cb 0.00 0.43 -0.08 0.00 0.21 0.00 0.00 66.02 66.58 2diq s SER 48 CO 0.00 -0.74 0.88 0.26 0.41 0.00 0.00 173.24 174.04 2diq s TRP 49 N -3.13 3.92 -0.02 2.43 0.52 -1.26 -0.43 118.94 120.98 2diq s TRP 49 Ca -0.01 1.78 -0.01 0.00 0.02 0.00 0.00 56.10 57.87 2diq s TRP 49 Cb 0.01 -2.91 0.01 0.00 -1.15 0.00 0.00 33.47 29.43 2diq s TRP 49 CO -0.07 0.43 0.05 0.71 0.02 0.00 0.00 176.95 178.09 2diq s TYR 50 N -0.91 -0.05 0.26 -1.98 1.51 0.08 -4.57 117.35 111.70 2diq s TYR 50 Ca 0.40 0.14 -0.31 0.00 -1.01 0.00 0.00 57.07 56.30 2diq s TYR 50 Cb -0.24 -0.02 -0.11 0.00 -0.11 0.00 0.00 41.96 41.47 2diq s TYR 50 CO 0.29 -0.04 1.61 1.03 -1.11 0.00 0.00 175.55 177.33 2diq s ARG 51 N 0.23 4.15 0.19 -0.62 0.52 -1.26 -3.04 118.95 119.12 2diq s ARG 51 Ca -0.02 2.54 0.04 0.00 -0.52 0.00 0.00 55.73 57.77 2diq s ARG 51 Cb -0.03 -3.06 -0.02 0.00 0.52 0.00 0.00 34.95 32.37 2diq s ARG 51 CO -0.01 -0.64 0.17 0.00 0.02 0.00 0.00 175.30 174.84 2diq n ALA 52 N 2.77 0.38 -3.87 2.13 0.00 -0.94 -3.33 120.51 117.64 2diq n ALA 52 Ca 0.10 -1.11 -0.27 0.00 0.00 0.00 0.00 53.44 52.17 2diq n ALA 52 Cb 0.37 0.90 -0.17 0.00 0.00 0.00 0.00 19.45 20.55 2diq n ALA 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2diq s ARG 53 N -2.76 1.33 0.09 0.00 3.00 0.23 -3.46 118.95 117.38 2diq s ARG 53 Ca 0.23 -0.31 -0.31 0.00 -1.00 0.00 0.00 55.73 54.34 2diq s ARG 53 Cb 0.01 -1.68 -0.09 0.00 0.00 0.00 0.00 34.95 33.18 2diq s ARG 53 CO 0.16 -0.35 1.75 0.08 0.00 0.00 0.00 175.30 176.94 2diq s VAL 54 N 1.73 2.78 -0.28 7.11 1.01 -0.81 0.52 120.40 132.47 2diq s VAL 54 Ca 0.03 0.26 0.14 0.00 0.00 0.00 0.00 61.98 62.41 2diq s VAL 54 Cb -0.14 -3.16 -0.19 0.00 0.00 0.00 0.00 36.38 32.89 2diq s VAL 54 CO -0.08 -0.00 0.42 0.18 0.00 0.00 0.00 175.10 175.63 2diq n LEU 55 N 5.69 0.26 0.00 3.92 4.77 0.15 0.79 117.00 132.59 2diq n LEU 55 Ca 0.17 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 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 0.64 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 2diq n GLY 56 N 1.54 0.03 3.05 -0.72 0.00 -1.25 -4.67 105.19 103.17 2diq n GLY 56 Ca -0.01 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 0.51 0.54 2.61 2.01 -1.26 -3.38 115.64 116.66 2diq s THR 57 Ca 0.00 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.01 2diq s THR 57 Cb 0.00 -0.56 0.11 0.00 0.01 0.00 0.00 72.50 72.06 2diq s THR 57 CO 0.00 -0.33 0.74 0.18 -0.69 0.00 0.00 174.62 174.52 2diq n LEU 58 N 1.64 0.00 0.08 4.42 4.77 0.83 -4.76 117.00 123.97 2diq n LEU 58 Ca -0.22 -1.44 -0.07 0.00 -0.03 0.00 0.00 56.01 54.25 2diq n LEU 58 Cb 0.55 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 2diq n LEU 58 CO 0.21 -0.89 0.20 -0.08 -1.33 0.00 0.00 177.39 175.51 2diq h GLU 59 N 0.00 0.07 0.03 3.23 4.57 -2.02 -3.29 114.58 117.16 2diq h GLU 59 Ca -0.24 -0.09 -0.25 0.00 -1.18 0.00 0.00 59.36 57.59 2diq h GLU 59 Cb 0.86 0.03 0.02 0.00 -0.16 0.00 0.00 28.75 29.51 2diq h GLU 59 CO 0.25 0.95 -1.01 -2.95 -1.18 0.00 0.00 179.01 175.06 2diq h ASN 60 N 0.03 0.83 0.00 1.04 -1.07 -2.06 -3.48 115.58 110.87 2diq h ASN 60 Ca -0.03 -0.77 0.00 0.00 0.07 0.00 0.00 56.30 55.57 2diq h ASN 60 Cb 1.62 -0.26 0.00 0.00 -2.07 0.00 0.00 38.32 37.61 2diq h ASN 60 CO 0.13 1.50 0.00 0.61 0.07 0.00 0.00 177.43 179.74 2diq n GLY 61 N 1.18 2.04 3.46 9.14 0.00 -1.24 -5.14 105.19 114.62 2diq n GLY 61 Ca -0.12 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.64 -4.65 1.61 4.13 -1.26 -4.48 115.26 108.97 2diq n ASN 62 Ca 0.00 -0.09 -0.35 0.00 1.68 0.00 0.00 54.58 55.82 2diq n ASN 62 Cb 0.00 -1.24 -0.09 0.00 -1.54 0.00 0.00 39.78 36.90 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 -6.28 3.80 -0.52 3.41 1.43 -0.71 -0.12 118.68 119.70 2diq s LEU 63 Ca 0.67 0.11 -0.27 0.00 -1.03 0.00 0.00 54.13 53.60 2diq s LEU 63 Cb -0.23 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 2diq s LEU 63 CO 0.65 0.22 1.72 -0.62 0.23 0.00 0.00 176.35 178.55 2diq s ASP 64 N 0.09 5.67 -0.13 2.29 2.15 -1.22 -3.33 116.67 122.20 2diq s ASP 64 Ca 0.05 0.58 -0.09 0.00 0.43 0.00 0.00 52.55 53.52 2diq s ASP 64 Cb -0.12 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 39.92 2diq s ASP 64 CO 0.01 -2.02 0.17 -0.76 -0.17 0.00 0.00 175.17 172.41 2diq s LEU 65 N 7.68 4.36 -0.35 -1.34 1.43 -0.54 0.33 118.68 130.25 2diq s LEU 65 Ca 0.66 0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 54.19 2diq s LEU 65 Cb -0.15 -2.14 0.06 0.00 0.03 0.00 0.00 46.19 43.98 2diq s LEU 65 CO 0.25 0.34 0.11 -0.47 0.23 0.00 0.00 176.35 176.81 2diq s TYR 66 N -0.68 3.31 -0.18 0.29 5.04 0.19 -0.09 117.35 125.23 2diq s TYR 66 Ca 0.15 -1.68 -0.30 0.00 -2.44 0.00 0.00 57.07 52.79 2diq s TYR 66 Cb -0.12 -2.44 -0.07 0.00 0.35 0.00 0.00 41.96 39.67 2diq s TYR 66 CO 0.04 -0.79 2.14 1.19 -1.34 0.00 0.00 175.55 176.78 2diq n PHE 67 N 4.75 2.05 0.16 4.97 3.01 -0.64 0.77 117.46 132.53 2diq n PHE 67 Ca -0.11 -0.10 0.11 0.00 1.01 0.00 0.00 57.45 58.36 2diq n PHE 67 Cb 0.44 -2.71 0.08 0.00 -0.01 0.00 0.00 39.48 37.28 2diq n PHE 67 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 2diq h VAL 68 N 6.69 0.06 0.20 -4.37 -1.51 -1.82 0.14 116.25 115.63 2diq h VAL 68 Ca -0.41 -1.09 -0.34 0.00 -1.23 0.00 0.00 66.70 63.62 2diq h VAL 68 Cb 1.26 1.80 0.02 0.00 -2.13 0.00 0.00 31.29 32.23 2diq h VAL 68 CO 0.96 0.03 -1.66 0.44 -1.23 0.00 0.00 177.57 176.12 2diq h ASP 69 N 0.00 0.67 0.00 4.19 3.32 -1.78 1.37 116.42 124.20 2diq h ASP 69 Ca -0.01 -0.90 -0.31 0.00 0.02 0.00 0.00 57.03 55.84 2diq h ASP 69 Cb 1.04 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.32 2diq h ASP 69 CO 0.00 1.74 -2.01 0.49 -1.72 0.00 0.00 179.24 177.74 2diq n PHE 70 N -3.62 0.00 0.00 4.55 3.01 -1.25 -2.24 117.46 117.91 2diq n PHE 70 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.24 2diq n PHE 70 Cb 1.08 -0.80 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 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 1.43 0.80 2.08 1.37 0.00 0.48 -4.71 105.19 106.63 2diq n GLY 71 Ca -0.40 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 2diq n GLY 71 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2diq n ASP 72 N 0.00 -3.21 -4.13 1.61 5.75 -1.26 -4.49 116.55 110.83 2diq n ASP 72 Ca 0.00 -0.51 -0.26 0.00 -0.01 0.00 0.00 54.79 54.00 2diq n ASP 72 Cb 0.00 -0.62 -0.16 0.00 -1.03 0.00 0.00 41.12 39.31 2diq n ASP 72 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2diq s ASN 73 N -2.51 2.19 0.45 -1.12 -0.87 -1.26 -1.62 114.94 110.20 2diq s ASN 73 Ca 0.39 -0.37 0.01 0.00 -1.57 0.00 0.00 52.86 51.32 2diq s ASN 73 Cb -0.07 -0.72 -0.00 0.00 -0.02 0.00 0.00 41.25 40.44 2diq s ASN 73 CO 0.33 0.13 0.02 0.61 -2.57 0.00 0.00 177.10 175.62 2diq n GLY 74 N 3.29 3.57 3.59 0.66 0.00 0.87 -4.97 105.19 112.21 2diq n GLY 74 Ca -0.19 -2.32 -0.11 0.00 0.00 0.00 0.00 46.02 43.41 2diq n GLY 74 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2diq s ASP 75 N -3.53 -0.81 -0.06 1.61 1.47 -1.26 -1.46 116.67 112.64 2diq s ASP 75 Ca 0.03 1.41 -0.29 0.00 1.18 0.00 0.00 52.55 54.88 2diq s ASP 75 Cb 0.00 1.35 0.11 0.00 -0.34 0.00 0.00 42.92 44.04 2diq s ASP 75 CO 0.02 -0.24 0.90 0.00 0.68 0.00 0.00 175.17 176.53 2diq s PRO 77 N -2.28 4.11 0.33 0.00 0.04 -1.26 -1.73 135.00 134.21 2diq s PRO 77 Ca 0.01 1.91 0.10 0.00 0.04 0.00 0.00 61.00 63.06 2diq s PRO 77 Cb -0.01 -2.76 0.86 0.00 0.04 0.00 0.00 34.50 32.64 2diq s PRO 77 CO -0.04 -0.29 1.78 1.25 0.04 0.00 0.00 177.00 179.74 2diq h LEU 78 N 2.80 0.67 -1.85 -3.56 6.46 -1.95 0.40 115.31 118.28 2diq h LEU 78 Ca -0.49 0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.40 2diq h LEU 78 Cb 1.23 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.13 2diq h LEU 78 CO 0.63 0.20 0.17 0.07 -0.62 0.00 0.00 178.44 178.89 2diq h LYS 79 N 0.63 0.19 -0.67 1.25 5.09 -1.91 0.94 116.57 122.09 2diq h LYS 79 Ca 0.58 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 61.31 2diq h LYS 79 Cb 1.09 -0.04 0.00 0.00 0.10 0.00 0.00 32.23 33.37 2diq h LYS 79 CO -0.36 0.13 0.00 -3.47 -2.09 0.00 0.00 179.45 173.66 2diq n ASP 80 N -4.49 3.70 -4.63 7.07 2.03 0.14 -4.00 116.55 116.36 2diq n ASP 80 Ca 0.02 -2.45 -0.27 0.00 0.52 0.00 0.00 54.79 52.61 2diq n ASP 80 Cb 0.18 -0.55 -0.08 0.00 -0.72 0.00 0.00 41.12 39.95 2diq n ASP 80 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2diq s LEU 81 N -1.59 3.21 -0.03 -2.67 1.43 0.32 -4.31 118.68 115.04 2diq s LEU 81 Ca 0.35 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 2diq s LEU 81 Cb 0.24 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.60 2diq s LEU 81 CO 0.13 0.10 -0.07 -0.13 0.23 0.00 0.00 176.35 176.61 2diq s ARG 82 N -2.88 0.89 -0.25 1.70 1.81 -0.41 -4.03 118.95 115.78 2diq s ARG 82 Ca 0.26 -0.23 -0.28 0.00 -1.72 0.00 0.00 55.73 53.76 2diq s ARG 82 Cb -0.09 -0.84 -0.04 0.00 -0.45 0.00 0.00 34.95 33.52 2diq s ARG 82 CO 0.17 0.04 2.05 0.00 -0.68 0.00 0.00 175.30 176.89 2diq s ALA 83 N 0.42 2.81 0.00 2.13 0.00 -1.26 -0.47 121.76 125.40 2diq s ALA 83 Ca -0.06 0.61 -0.33 0.00 0.00 0.00 0.00 51.96 52.18 2diq s ALA 83 Cb -0.10 -4.04 -0.11 0.00 0.00 0.00 0.00 23.12 18.86 2diq s ALA 83 CO 0.01 -2.68 1.87 -0.11 0.00 0.00 0.00 175.76 174.84 2diq n LEU 84 N 11.02 3.70 -4.79 0.00 7.94 -1.26 -4.87 117.00 128.74 2diq n LEU 84 Ca 0.27 0.97 -0.31 0.00 -1.11 0.00 0.00 56.01 55.83 2diq n LEU 84 Cb 0.45 -1.44 0.08 0.00 0.53 0.00 0.00 43.42 43.04 2diq n LEU 84 CO 0.67 0.03 0.70 -0.13 -1.11 0.00 0.00 177.39 177.55 2diq s ARG 85 N 3.68 2.34 0.33 1.96 0.52 -1.26 -4.89 118.95 121.63 2diq s ARG 85 Ca 0.89 0.95 0.03 0.00 -0.52 0.00 0.00 55.73 57.08 2diq s ARG 85 Cb -0.59 -1.92 0.63 0.00 0.52 0.00 0.00 34.95 33.59 2diq s ARG 85 CO 0.46 -1.52 1.95 0.77 0.02 0.00 0.00 175.30 176.98 2diq h SER 86 N -1.03 0.78 -0.87 0.23 0.02 -1.98 -1.65 113.55 109.05 2diq h SER 86 Ca -0.45 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.53 2diq h SER 86 Cb 1.24 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.56 2diq h SER 86 CO 0.55 0.52 0.57 -0.78 -1.14 0.00 0.00 176.83 176.54 2diq h ASP 87 N 0.89 0.95 1.19 3.07 3.58 -2.00 0.11 116.42 124.21 2diq h ASP 87 Ca 0.33 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.77 2diq h ASP 87 Cb 0.16 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.99 2diq h ASP 87 CO -0.11 0.66 0.00 -0.26 -2.88 0.00 0.00 179.24 176.65 2diq h PHE 88 N 1.11 0.00 0.00 0.28 0.04 -1.68 -2.82 116.94 113.87 2diq h PHE 88 Ca 0.34 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.11 2diq h PHE 88 Cb -0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.13 2diq h PHE 88 CO -0.02 0.00 -1.14 1.28 -0.60 0.00 0.00 178.31 177.84 2diq n LEU 89 N -2.81 0.70 0.08 1.54 4.77 -0.26 -4.10 117.00 116.91 2diq n LEU 89 Ca 0.02 0.25 0.18 0.00 -0.03 0.00 0.00 56.01 56.43 2diq n LEU 89 Cb 0.34 -0.06 0.51 0.00 -2.33 0.00 0.00 43.42 41.88 2diq n LEU 89 CO 0.27 -0.14 1.16 -1.28 -1.33 0.00 0.00 177.39 176.08 2diq h SER 90 N 0.00 0.00 -3.14 -1.43 0.87 -0.59 -3.38 113.55 105.89 2diq h SER 90 Ca 0.00 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.96 2diq h SER 90 Cb 0.97 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.86 2diq h SER 90 CO 0.00 0.00 -0.22 -0.22 -0.53 0.00 0.00 176.83 175.86 2diq s LEU 91 N -6.32 4.37 0.59 2.23 0.20 -1.26 -5.07 118.68 113.42 2diq s LEU 91 Ca -0.03 0.81 -0.18 0.00 0.69 0.00 0.00 54.13 55.43 2diq s LEU 91 Cb 0.11 -2.55 -0.04 0.00 -0.43 0.00 0.00 46.19 43.28 2diq s LEU 91 CO 0.36 0.20 1.12 -2.16 -0.29 0.00 0.00 176.35 175.58 2diq s PRO 92 N -0.32 3.14 -0.12 0.98 0.04 -1.26 -4.92 135.00 132.55 2diq s PRO 92 Ca 0.22 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.50 2diq s PRO 92 Cb -0.15 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 2diq s PRO 92 CO 0.10 -1.00 2.12 1.19 0.04 0.00 0.00 177.00 179.46 2diq n PHE 93 N -1.73 2.18 -0.06 0.56 3.72 -1.26 -4.87 117.46 116.00 2diq n PHE 93 Ca 0.11 -0.22 -0.11 0.00 -0.05 0.00 0.00 57.45 57.18 2diq n PHE 93 Cb 0.51 -2.76 -0.05 0.00 -0.94 0.00 0.00 39.48 36.25 2diq n PHE 93 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2diq h GLN 94 N 13.22 0.30 -5.19 -1.08 1.08 -1.76 -3.41 115.11 118.28 2diq h GLN 94 Ca -0.44 -0.07 -0.62 0.00 -1.45 0.00 0.00 58.65 56.07 2diq h GLN 94 Cb 1.24 -0.04 -0.14 0.00 -0.05 0.00 0.00 27.48 28.49 2diq h GLN 94 CO 0.95 0.42 -0.34 0.00 -0.95 0.00 0.00 178.83 178.91 2diq s ALA 95 N -5.36 3.57 -0.05 3.87 0.00 0.47 -4.94 121.76 119.31 2diq s ALA 95 Ca -0.14 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.08 2diq s ALA 95 Cb 0.07 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 2diq s ALA 95 CO 0.71 -0.40 -0.17 0.42 0.00 0.00 0.00 175.76 176.32 2diq s ILE 96 N 1.50 2.78 0.71 0.00 -1.09 -1.26 -4.43 121.20 119.40 2diq s ILE 96 Ca 0.13 -0.82 -0.06 0.00 -2.23 0.00 0.00 60.65 57.67 2diq s ILE 96 Cb -0.15 -2.07 0.15 0.00 -1.58 0.00 0.00 42.46 38.81 2diq s ILE 96 CO 0.08 0.58 0.96 -1.84 -1.23 0.00 0.00 174.94 173.49 2diq n GLU 97 N 2.53 -0.46 -1.26 2.79 0.28 -1.26 -4.99 120.64 118.27 2diq n GLU 97 Ca -0.17 -2.08 -0.41 0.00 -0.16 0.00 0.00 57.16 54.35 2diq n GLU 97 Cb 0.52 -0.81 -0.00 0.00 1.43 0.00 0.00 31.44 32.58 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 -0.97 7.32 -0.48 0.00 0.01 -1.26 -5.02 113.70 113.30 2diq s SER 99 Ca 0.58 1.80 -0.20 0.00 1.31 0.00 0.00 55.95 59.44 2diq s SER 99 Cb -0.62 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.08 2diq s SER 99 CO 0.61 -0.06 0.63 -0.22 0.41 0.00 0.00 173.24 174.61 2diq s LEU 100 N -2.04 4.77 -0.80 2.44 1.98 -1.26 -4.98 118.68 118.80 2diq s LEU 100 Ca 0.49 -0.70 -0.23 0.00 -2.89 0.00 0.00 54.13 50.81 2diq s LEU 100 Cb -0.18 -2.54 -0.17 0.00 0.66 0.00 0.00 46.19 43.96 2diq s LEU 100 CO 0.24 -0.85 2.38 0.00 -1.89 0.00 0.00 176.35 176.23 2diq n ALA 101 N 6.22 0.51 -3.63 5.97 0.00 -1.26 -4.80 120.51 123.50 2diq n ALA 101 Ca -0.05 -1.23 -0.10 0.00 0.00 0.00 0.00 53.44 52.06 2diq n ALA 101 Cb 0.46 -3.12 -0.07 0.00 0.00 0.00 0.00 19.45 16.73 2diq n ALA 101 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2diq s ARG 102 N 8.56 0.58 -0.54 0.00 1.70 -1.26 -5.12 118.95 122.87 2diq s ARG 102 Ca 1.01 0.67 -0.23 0.00 -0.47 0.00 0.00 55.73 56.71 2diq s ARG 102 Cb -0.28 0.28 0.04 0.00 -0.57 0.00 0.00 34.95 34.43 2diq s ARG 102 CO 0.19 -0.07 0.89 0.42 -1.08 0.00 0.00 175.30 175.64 2diq s ILE 103 N 0.23 4.47 0.13 4.99 -1.09 -1.26 -5.01 121.20 123.66 2diq s ILE 103 Ca 0.02 0.16 -0.31 0.00 -2.23 0.00 0.00 60.65 58.30 2diq s ILE 103 Cb -0.05 -4.49 -0.10 0.00 -1.58 0.00 0.00 42.46 36.24 2diq s ILE 103 CO -0.04 -1.05 1.70 0.00 -1.23 0.00 0.00 174.94 174.31 2diq s ALA 104 N 3.72 3.77 0.71 9.38 0.00 -1.26 -4.96 121.76 133.11 2diq s ALA 104 Ca 0.28 1.38 -0.15 0.00 0.00 0.00 0.00 51.96 53.47 2diq s ALA 104 Cb -0.14 -3.70 0.03 0.00 0.00 0.00 0.00 23.12 19.31 2diq s ALA 104 CO 0.18 -1.04 1.17 -1.54 0.00 0.00 0.00 175.76 174.53 2diq s SER 105 N 2.01 4.52 0.53 0.00 1.04 -1.26 -5.03 113.70 115.51 2diq s SER 105 Ca 0.75 2.21 0.01 0.00 0.48 0.00 0.00 55.95 59.40 2diq s SER 105 Cb -0.44 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.13 2diq s SER 105 CO 0.33 -2.04 0.75 -0.83 0.98 0.00 0.00 173.24 172.44 2diq s GLY 106 N -2.27 1.78 0.66 7.32 0.00 -1.26 -5.08 107.32 108.47 2diq s GLY 106 Ca 0.71 -1.28 -0.15 0.00 0.00 0.00 0.00 44.72 44.01 2diq s GLY 106 CO 0.44 -1.02 1.11 2.56 0.00 0.00 0.00 173.10 176.19 2diq s PRO 107 N -4.71 2.78 0.00 2.90 0.04 -1.26 -5.00 135.00 129.75 2diq s PRO 107 Ca 0.55 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2diq s PRO 107 Cb -0.10 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2diq s PRO 107 CO 0.38 -1.26 0.00 0.43 0.04 0.00 0.00 177.00 176.59 2diq n SER 108 N -2.45 1.12 -4.70 6.66 7.64 -1.26 -5.08 113.62 115.55 2diq n SER 108 Ca 0.10 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.75 2diq n SER 108 Cb 0.52 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.82 2diq n SER 108 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2diq s SER 109 N -4.71 4.41 0.00 6.43 1.04 -1.26 -5.38 113.70 114.24 2diq s SER 109 Ca 0.00 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2diq s SER 109 Cb 0.00 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2diq s SER 109 CO 0.00 -1.81 0.00 0.61 0.98 0.00 0.00 173.24 173.02