#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diq h SER 2 N 0.00 -0.37 0.31 1.61 0.02 -2.02 -3.37 113.55 109.72 2diq h SER 2 Ca 0.00 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 2diq h SER 2 Cb 0.00 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2diq h SER 2 CO 0.00 0.07 -0.15 -1.28 -1.14 0.00 0.00 176.83 174.33 2diq h SER 3 N -0.92 -0.35 -3.93 3.07 0.87 -2.08 -3.45 113.55 106.76 2diq h SER 3 Ca -0.04 -0.14 -0.47 0.00 -1.23 0.00 0.00 61.79 59.91 2diq h SER 3 Cb 0.52 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 2diq h SER 3 CO 0.07 0.12 0.37 -0.83 -0.53 0.00 0.00 176.83 176.03 2diq s GLY 4 N -3.04 2.74 -0.04 5.77 0.00 -1.26 -4.98 107.32 106.52 2diq s GLY 4 Ca -0.10 0.58 -0.03 0.00 0.00 0.00 0.00 44.72 45.17 2diq s GLY 4 CO 0.35 1.00 -0.06 1.44 0.00 0.00 0.00 173.10 175.83 2diq n SER 5 N 0.25 0.46 -3.74 1.64 7.64 -1.26 -4.59 113.62 114.02 2diq n SER 5 Ca 0.03 0.07 -0.24 0.00 1.01 0.00 0.00 58.87 59.74 2diq n SER 5 Cb 0.50 -0.18 0.04 0.00 -1.01 0.00 0.00 64.21 63.57 2diq n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2diq n SER 6 N -3.28 -3.29 0.00 6.43 7.64 -1.26 -4.19 113.62 115.67 2diq n SER 6 Ca -0.09 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.05 2diq n SER 6 Cb 0.51 -4.25 0.00 0.00 -1.01 0.00 0.00 64.21 59.46 2diq n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2diq n GLY 7 N -1.63 1.36 3.76 0.23 0.00 -1.26 -5.06 105.19 102.58 2diq n GLY 7 Ca -0.13 -0.77 -0.41 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 0.00 4.40 0.18 1.61 3.52 -1.26 -5.03 118.95 122.37 2diq s ARG 8 Ca 0.00 2.11 0.07 0.00 -0.13 0.00 0.00 55.73 57.78 2diq s ARG 8 Cb 0.00 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 2diq s ARG 8 CO 0.00 -0.16 0.05 -1.12 -0.81 0.00 0.00 175.30 173.26 2diq s SER 9 N -0.24 5.01 0.08 -2.12 0.01 -1.26 -4.75 113.70 110.43 2diq s SER 9 Ca 0.51 -0.33 -0.23 0.00 1.31 0.00 0.00 55.95 57.21 2diq s SER 9 Cb -0.38 -1.15 -0.15 0.00 0.21 0.00 0.00 66.02 64.55 2diq s SER 9 CO 0.46 0.07 1.70 -0.07 0.41 0.00 0.00 173.24 175.81 2diq h LEU 10 N 2.47 0.01 -1.43 2.44 3.38 -1.94 -1.07 115.31 119.17 2diq h LEU 10 Ca -0.47 -0.04 0.18 0.00 0.09 0.00 0.00 57.88 57.63 2diq h LEU 10 Cb 1.21 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.89 2diq h LEU 10 CO 0.60 0.05 0.57 1.56 0.09 0.00 0.00 178.44 181.31 2diq h GLN 11 N -0.03 0.49 0.21 1.13 4.20 -1.99 0.54 115.11 119.67 2diq h GLN 11 Ca 0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2diq h GLN 11 Cb 0.04 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2diq h GLN 11 CO -0.00 0.33 -0.10 1.25 -0.67 0.00 0.00 178.83 179.63 2diq h LEU 12 N 0.51 -0.24 -1.84 1.46 5.85 -1.85 -2.46 115.31 116.73 2diq h LEU 12 Ca 0.45 0.01 0.34 0.00 0.84 0.00 0.00 57.88 59.52 2diq h LEU 12 Cb 0.97 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 2diq h LEU 12 CO -0.19 0.01 0.83 -0.78 -0.34 0.00 0.00 178.44 177.97 2diq h ASP 13 N -0.64 0.10 -0.13 1.25 3.58 -0.99 0.25 116.42 119.85 2diq h ASP 13 Ca -0.03 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 2diq h ASP 13 Cb 0.22 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 2diq h ASP 13 CO 0.05 0.01 -0.18 0.50 -2.88 0.00 0.00 179.24 176.74 2diq h LYS 14 N 0.09 0.36 -0.65 0.28 3.11 -0.93 -2.59 116.57 116.23 2diq h LYS 14 Ca 0.59 -0.21 -0.06 0.00 -2.81 0.00 0.00 60.65 58.16 2diq h LYS 14 Cb 2.15 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 33.36 2diq h LYS 14 CO -0.08 0.78 0.17 1.25 -2.81 0.00 0.00 179.45 178.75 2diq h LEU 15 N -0.04 0.95 -0.31 5.20 5.85 -0.08 -2.55 115.31 124.33 2diq h LEU 15 Ca 0.02 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2diq h LEU 15 Cb 0.74 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2diq h LEU 15 CO 0.04 0.91 0.17 0.58 -0.34 0.00 0.00 178.44 179.81 2diq h VAL 16 N 0.97 1.13 0.10 1.05 2.07 -1.11 -1.90 116.25 118.55 2diq h VAL 16 Ca 0.21 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.40 2diq h VAL 16 Cb 0.33 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2diq h VAL 16 CO -0.00 0.13 -0.12 -1.13 0.02 0.00 0.00 177.57 176.47 2diq h ASN 17 N 0.39 -0.33 -0.57 0.57 -0.73 -1.28 -0.49 115.58 113.14 2diq h ASN 17 Ca 0.11 0.04 0.09 0.00 1.87 0.00 0.00 56.30 58.41 2diq h ASN 17 Cb 0.06 0.12 -0.07 0.00 0.27 0.00 0.00 38.32 38.70 2diq h ASN 17 CO -0.02 -0.18 0.19 -0.33 -0.37 0.00 0.00 177.43 176.71 2diq h GLU 18 N -0.26 0.34 0.39 6.67 5.08 -1.35 -1.09 114.58 124.36 2diq h GLU 18 Ca 0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2diq h GLU 18 Cb 0.26 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2diq h GLU 18 CO -0.05 0.23 -0.19 0.52 -1.00 0.00 0.00 179.01 178.52 2diq h MET 19 N 0.35 -0.50 -0.04 2.33 2.86 -1.01 -2.49 114.93 116.43 2diq h MET 19 Ca 0.29 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 2diq h MET 19 Cb 0.37 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2diq h MET 19 CO -0.31 -0.33 -0.04 1.15 1.06 0.00 0.00 176.91 178.43 2diq h THR 20 N -0.54 0.00 -1.26 2.22 2.02 -0.98 0.42 112.91 114.78 2diq h THR 20 Ca -0.05 0.00 0.45 0.00 0.77 0.00 0.00 66.41 67.58 2diq h THR 20 Cb 0.40 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.67 2diq h THR 20 CO 0.09 0.00 0.79 0.00 0.37 0.00 0.00 175.52 176.77 2diq n GLN 21 N -2.98 -0.04 0.00 6.66 1.13 -0.42 0.12 117.38 121.85 2diq n GLN 21 Ca -0.00 1.23 0.00 0.00 -1.94 0.00 0.00 57.00 56.29 2diq n GLN 21 Cb 0.02 -2.38 0.00 0.00 0.11 0.00 0.00 30.24 27.99 2diq n GLN 21 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2diq n HIS 22 N -4.74 0.00 -0.06 1.08 -0.00 0.69 -3.95 115.22 108.23 2diq n HIS 22 Ca 0.38 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.47 2diq n HIS 22 Cb 1.46 -0.33 -0.03 0.00 -0.12 0.00 0.00 29.99 30.98 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 -0.90 -0.97 1.57 0.05 0.36 -0.38 116.97 116.69 2diq h TYR 23 Ca 0.00 0.05 0.33 0.00 0.05 0.00 0.00 58.73 59.15 2diq h TYR 23 Cb 0.00 0.43 -0.09 0.00 1.01 0.00 0.00 36.73 38.09 2diq h TYR 23 CO 0.03 -0.39 0.64 -0.85 -1.05 0.00 0.00 178.16 176.54 2diq n GLU 24 N -5.41 -0.02 -2.22 4.88 0.28 0.32 0.24 120.64 118.71 2diq n GLU 24 Ca -0.01 0.81 -0.33 0.00 -0.16 0.00 0.00 57.16 57.46 2diq n GLU 24 Cb 0.33 -1.63 0.02 0.00 1.43 0.00 0.00 31.44 31.58 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 -3.88 6.12 -4.07 -1.84 5.03 -0.15 -4.99 115.26 111.46 2diq n ASN 25 Ca 0.27 -3.78 -0.07 0.00 0.87 0.00 0.00 54.58 51.87 2diq n ASN 25 Cb 1.08 -0.77 -0.10 0.00 -1.02 0.00 0.00 39.78 38.98 2diq n ASN 25 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2diq s SER 26 N -2.32 0.44 0.39 6.41 1.04 0.65 -5.01 113.70 115.30 2diq s SER 26 Ca 0.50 -0.99 -0.15 0.00 0.48 0.00 0.00 55.95 55.79 2diq s SER 26 Cb 0.42 0.22 -0.09 0.00 0.10 0.00 0.00 66.02 66.67 2diq s SER 26 CO -0.30 -0.62 0.82 0.68 0.98 0.00 0.00 173.24 174.79 2diq s VAL 27 N -3.93 4.63 -0.29 5.02 -7.23 -1.26 -5.00 120.40 112.34 2diq s VAL 27 Ca 0.08 1.02 -0.29 0.00 -1.81 0.00 0.00 61.98 60.98 2diq s VAL 27 Cb 0.08 -3.65 -0.02 0.00 0.56 0.00 0.00 36.38 33.35 2diq s VAL 27 CO -0.09 -0.35 1.66 -2.16 -0.31 0.00 0.00 175.10 173.84 2diq s PRO 28 N -3.36 3.60 -0.11 4.82 0.04 -1.26 -4.98 135.00 133.75 2diq s PRO 28 Ca 0.56 1.48 -0.23 0.00 0.04 0.00 0.00 61.00 62.85 2diq s PRO 28 Cb -0.10 -4.09 -0.03 0.00 0.04 0.00 0.00 34.50 30.32 2diq s PRO 28 CO 0.21 -1.54 0.70 -1.21 0.04 0.00 0.00 177.00 175.21 2diq s GLU 29 N 5.07 4.37 -0.83 4.56 0.41 -1.25 -5.00 118.70 126.03 2diq s GLU 29 Ca 0.73 0.84 -0.20 0.00 -0.41 0.00 0.00 54.97 55.93 2diq s GLU 29 Cb -0.22 -3.49 0.12 0.00 -1.78 0.00 0.00 34.13 28.75 2diq s GLU 29 CO 0.31 -0.05 1.04 -0.51 -0.49 0.00 0.00 175.26 175.56 2diq s ASP 30 N 0.92 6.48 0.22 -0.19 1.01 -1.26 -4.67 116.67 119.19 2diq s ASP 30 Ca 0.36 -1.76 0.11 0.00 0.71 0.00 0.00 52.55 51.97 2diq s ASP 30 Cb -0.17 -2.39 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 2diq s ASP 30 CO 0.15 -1.14 -0.18 -1.48 0.21 0.00 0.00 175.17 172.73 2diq s LEU 31 N 2.94 2.66 -0.47 1.23 2.34 -1.26 -5.10 118.68 121.02 2diq s LEU 31 Ca 0.28 -0.83 -0.19 0.00 0.06 0.00 0.00 54.13 53.44 2diq s LEU 31 Cb -0.10 -1.30 0.04 0.00 -0.56 0.00 0.00 46.19 44.27 2diq s LEU 31 CO -0.03 0.08 0.58 -0.89 -1.06 0.00 0.00 176.35 175.03 2diq s THR 32 N -1.98 4.92 0.17 5.48 2.01 -1.26 -5.03 115.64 119.95 2diq s THR 32 Ca 0.25 -0.30 0.11 0.00 0.31 0.00 0.00 61.69 62.07 2diq s THR 32 Cb -0.07 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2diq s THR 32 CO 0.13 -0.66 -0.25 0.54 -0.69 0.00 0.00 174.62 173.70 2diq s VAL 33 N 2.55 2.33 0.09 3.82 0.11 -1.26 -5.15 120.40 122.89 2diq s VAL 33 Ca 0.16 -1.95 0.01 0.00 -2.93 0.00 0.00 61.98 57.27 2diq s VAL 33 Cb -0.17 -2.09 -0.04 0.00 -1.53 0.00 0.00 36.38 32.55 2diq s VAL 33 CO 0.14 -0.05 -0.05 -1.00 -3.33 0.00 0.00 175.10 170.81 2diq s HIS 34 N -1.49 0.81 -0.43 1.54 3.76 -1.26 -5.06 115.29 113.15 2diq s HIS 34 Ca 0.19 -0.97 -0.39 0.00 -0.15 0.00 0.00 55.06 53.74 2diq s HIS 34 Cb -0.09 -0.49 -0.15 0.00 1.11 0.00 0.00 32.58 32.96 2diq s HIS 34 CO 0.09 -0.23 2.19 1.55 -0.85 0.00 0.00 174.74 177.49 2diq n VAL 35 N -0.02 0.10 0.00 -0.90 3.14 -1.26 -1.46 118.33 117.93 2diq n VAL 35 Ca -0.12 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 2diq n VAL 35 Cb 0.61 -1.13 0.00 0.00 -1.06 0.00 0.00 33.84 32.26 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 6.95 1.26 3.86 7.55 0.00 0.19 -4.91 105.19 120.09 2diq n GLY 36 Ca 0.48 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.44 6.57 -0.10 1.61 1.11 -0.54 -4.84 116.67 120.04 2diq s ASP 37 Ca 0.00 1.29 -0.03 0.00 0.18 0.00 0.00 52.55 54.00 2diq s ASP 37 Cb 0.00 -2.39 -0.03 0.00 1.07 0.00 0.00 42.92 41.57 2diq s ASP 37 CO 0.00 -0.46 0.01 -0.63 1.18 0.00 0.00 175.17 175.27 2diq s ILE 38 N -2.45 4.36 0.23 0.77 -1.09 -1.26 -2.13 121.20 119.63 2diq s ILE 38 Ca 0.54 -0.22 -0.19 0.00 -2.23 0.00 0.00 60.65 58.55 2diq s ILE 38 Cb -0.10 -2.85 0.03 0.00 -1.58 0.00 0.00 42.46 37.96 2diq s ILE 38 CO 0.31 0.59 0.60 0.68 -1.23 0.00 0.00 174.94 175.89 2diq s VAL 39 N -0.72 0.01 0.00 2.92 -7.23 -1.11 -4.27 120.40 110.00 2diq s VAL 39 Ca 0.11 -0.80 -0.10 0.00 -1.81 0.00 0.00 61.98 59.38 2diq s VAL 39 Cb -0.12 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 2diq s VAL 39 CO 0.02 -0.04 0.33 0.00 -0.31 0.00 0.00 175.10 175.10 2diq s ALA 40 N -3.89 3.77 -0.13 1.32 0.00 0.85 -2.40 121.76 121.28 2diq s ALA 40 Ca 0.10 -0.41 -0.12 0.00 0.00 0.00 0.00 51.96 51.53 2diq s ALA 40 Cb -0.03 -2.21 0.03 0.00 0.00 0.00 0.00 23.12 20.91 2diq s ALA 40 CO 0.00 0.56 0.35 0.00 0.00 0.00 0.00 175.76 176.68 2diq s ALA 41 N -1.20 -0.87 0.93 0.00 0.00 -1.10 -1.17 121.76 118.35 2diq s ALA 41 Ca 0.25 0.99 -0.12 0.00 0.00 0.00 0.00 51.96 53.09 2diq s ALA 41 Cb -0.14 -0.58 0.15 0.00 0.00 0.00 0.00 23.12 22.55 2diq s ALA 41 CO 0.14 -0.17 1.09 -1.25 0.00 0.00 0.00 175.76 175.57 2diq s PRO 42 N 0.20 0.95 -0.18 0.00 0.04 -1.26 -1.19 135.00 133.56 2diq s PRO 42 Ca -0.00 0.71 -0.00 0.00 0.04 0.00 0.00 61.00 61.75 2diq s PRO 42 Cb -0.02 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2diq s PRO 42 CO 0.00 -2.43 -0.14 -1.17 0.04 0.00 0.00 177.00 173.30 2diq s LEU 43 N -6.31 2.46 0.00 -3.56 2.96 -0.04 -4.86 118.68 109.32 2diq s LEU 43 Ca 0.64 -0.51 0.14 0.00 -0.22 0.00 0.00 54.13 54.18 2diq s LEU 43 Cb -0.18 -1.57 0.61 0.00 0.50 0.00 0.00 46.19 45.55 2diq s LEU 43 CO 0.57 0.04 1.45 -0.81 -1.32 0.00 0.00 176.35 176.28 2diq n PRO 44 N 4.37 0.02 -0.08 0.98 -0.04 -1.26 0.21 135.00 139.20 2diq n PRO 44 Ca -0.19 0.25 -0.09 0.00 -0.04 0.00 0.00 63.50 63.42 2diq n PRO 44 Cb 0.51 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.48 1.03 -0.10 0.52 -2.24 -1.26 -4.74 114.28 106.01 2diq n THR 45 Ca 0.04 -0.56 -0.15 0.00 -2.27 0.00 0.00 64.05 61.10 2diq n THR 45 Cb 0.16 -0.79 -0.08 0.00 -2.10 0.00 0.00 70.33 67.52 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 -2.71 2.24 0.00 3.42 5.15 -1.13 -5.04 115.26 117.19 2diq n ASN 46 Ca -0.27 -0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.70 2diq n ASN 46 Cb 0.94 -0.38 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 2diq n ASN 46 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2diq n GLY 47 N 2.37 1.23 3.16 8.20 0.00 0.57 -4.97 105.19 115.76 2diq n GLY 47 Ca -0.35 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.39 1.30 0.20 1.61 0.01 -1.25 -4.73 113.70 108.44 2diq s SER 48 Ca 0.00 -0.81 -0.26 0.00 1.31 0.00 0.00 55.95 56.19 2diq s SER 48 Cb 0.00 0.03 -0.08 0.00 0.21 0.00 0.00 66.02 66.18 2diq s SER 48 CO 0.00 -0.29 0.83 0.26 0.41 0.00 0.00 173.24 174.44 2diq s TRP 49 N -2.50 3.90 0.01 2.43 0.52 -1.26 -0.86 118.94 121.18 2diq s TRP 49 Ca 0.04 1.70 -0.01 0.00 0.02 0.00 0.00 56.10 57.85 2diq s TRP 49 Cb -0.02 -2.82 -0.01 0.00 -1.15 0.00 0.00 33.47 29.46 2diq s TRP 49 CO -0.01 0.47 0.00 0.71 0.02 0.00 0.00 176.95 178.14 2diq s TYR 50 N -1.21 0.20 -0.53 -1.98 2.02 -0.34 -4.47 117.35 111.04 2diq s TYR 50 Ca 0.39 -0.40 -0.28 0.00 -0.37 0.00 0.00 57.07 56.41 2diq s TYR 50 Cb -0.23 -0.15 -0.00 0.00 -0.40 0.00 0.00 41.96 41.18 2diq s TYR 50 CO 0.27 -0.19 1.64 1.03 -1.57 0.00 0.00 175.55 176.73 2diq s ARG 51 N -1.29 3.09 0.26 -0.62 0.52 -1.26 -2.72 118.95 116.94 2diq s ARG 51 Ca -0.14 0.71 0.11 0.00 -0.52 0.00 0.00 55.73 55.88 2diq s ARG 51 Cb -0.09 -4.22 -0.05 0.00 0.52 0.00 0.00 34.95 31.11 2diq s ARG 51 CO -0.00 -2.17 -0.13 0.00 0.02 0.00 0.00 175.30 173.01 2diq s ALA 52 N 7.19 2.88 -0.18 2.13 0.00 -1.01 -2.08 121.76 130.68 2diq s ALA 52 Ca 0.63 -1.77 -0.03 0.00 0.00 0.00 0.00 51.96 50.78 2diq s ALA 52 Cb -0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 2diq s ALA 52 CO 0.25 0.30 -0.05 0.50 0.00 0.00 0.00 175.76 176.76 2diq s ARG 53 N -3.47 3.52 0.21 0.00 3.00 0.19 -2.74 118.95 119.66 2diq s ARG 53 Ca 0.30 -0.58 -0.31 0.00 -1.00 0.00 0.00 55.73 54.13 2diq s ARG 53 Cb -0.06 -2.94 -0.11 0.00 0.00 0.00 0.00 34.95 31.85 2diq s ARG 53 CO 0.16 0.05 1.60 0.08 0.00 0.00 0.00 175.30 177.19 2diq s VAL 54 N 0.86 2.35 -0.17 7.11 1.01 -0.91 0.17 120.40 130.83 2diq s VAL 54 Ca -0.01 0.27 0.09 0.00 0.00 0.00 0.00 61.98 62.32 2diq s VAL 54 Cb -0.15 -3.17 -0.12 0.00 0.00 0.00 0.00 36.38 32.94 2diq s VAL 54 CO 0.01 0.03 0.26 0.18 0.00 0.00 0.00 175.10 175.58 2diq n LEU 55 N 3.46 0.16 0.00 3.92 4.77 0.27 -0.64 117.00 128.94 2diq n LEU 55 Ca 0.13 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2diq n LEU 55 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2diq n LEU 55 CO 0.62 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2diq n GLY 56 N 1.68 -0.04 3.16 -0.72 0.00 -1.25 -4.67 105.19 103.36 2diq n GLY 56 Ca -0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 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 0.80 2.61 2.01 -1.26 -3.69 115.64 116.16 2diq s THR 57 Ca 0.00 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 2diq s THR 57 Cb 0.00 -0.47 0.16 0.00 0.01 0.00 0.00 72.50 72.20 2diq s THR 57 CO 0.00 -0.24 1.10 -0.76 -0.69 0.00 0.00 174.62 174.03 2diq s LEU 58 N -0.97 2.89 0.45 4.42 1.43 0.14 -4.80 118.68 122.24 2diq s LEU 58 Ca -0.10 -0.34 0.25 0.00 -1.03 0.00 0.00 54.13 52.91 2diq s LEU 58 Cb -0.05 -1.83 0.81 0.00 0.03 0.00 0.00 46.19 45.15 2diq s LEU 58 CO 0.02 -2.20 1.77 -0.08 0.23 0.00 0.00 176.35 176.09 2diq h GLU 59 N -0.88 0.00 0.21 1.70 4.81 -2.03 -3.19 114.58 115.20 2diq h GLU 59 Ca -0.37 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.54 2diq h GLU 59 Cb 1.25 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.65 2diq h GLU 59 CO 0.36 0.15 -1.54 -2.95 -0.73 0.00 0.00 179.01 174.30 2diq h ASN 60 N 0.00 0.69 0.00 1.04 -1.07 -2.06 -3.48 115.58 110.70 2diq h ASN 60 Ca -0.00 -0.93 0.00 0.00 0.07 0.00 0.00 56.30 55.44 2diq h ASN 60 Cb 0.82 -0.23 0.00 0.00 -2.07 0.00 0.00 38.32 36.84 2diq h ASN 60 CO 0.02 1.72 0.00 0.61 0.07 0.00 0.00 177.43 179.84 2diq n GLY 61 N 1.78 1.03 3.44 9.14 0.00 -1.21 -5.14 105.19 114.24 2diq n GLY 61 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 2diq n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2diq s ASN 62 N 0.00 0.23 -0.18 1.61 -0.87 -1.26 -4.60 114.94 109.86 2diq s ASN 62 Ca 0.00 1.04 -0.03 0.00 -1.57 0.00 0.00 52.86 52.31 2diq s ASN 62 Cb 0.00 -1.56 -0.01 0.00 -0.02 0.00 0.00 41.25 39.66 2diq s ASN 62 CO 0.00 -4.60 -0.07 -0.76 -2.57 0.00 0.00 177.10 169.10 2diq s LEU 63 N -7.37 2.89 -0.59 0.60 1.43 -1.12 -0.68 118.68 113.83 2diq s LEU 63 Ca 0.69 -0.33 -0.27 0.00 -1.03 0.00 0.00 54.13 53.18 2diq s LEU 63 Cb -0.17 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 2diq s LEU 63 CO 0.60 0.06 1.81 -0.62 0.23 0.00 0.00 176.35 178.43 2diq s ASP 64 N 0.97 5.40 0.25 2.29 2.15 -1.24 -3.65 116.67 122.84 2diq s ASP 64 Ca -0.01 0.37 -0.05 0.00 0.43 0.00 0.00 52.55 53.30 2diq s ASP 64 Cb -0.15 -2.53 -0.05 0.00 -0.30 0.00 0.00 42.92 39.89 2diq s ASP 64 CO 0.00 -2.27 0.51 -0.76 -0.17 0.00 0.00 175.17 172.47 2diq s LEU 65 N 8.62 4.12 -0.29 -1.34 1.43 0.10 0.96 118.68 132.27 2diq s LEU 65 Ca 0.66 0.67 0.03 0.00 -1.03 0.00 0.00 54.13 54.46 2diq s LEU 65 Cb -0.13 -3.46 0.08 0.00 0.03 0.00 0.00 46.19 42.70 2diq s LEU 65 CO 0.22 -0.13 -0.04 -0.47 0.23 0.00 0.00 176.35 176.16 2diq s TYR 66 N -1.97 3.41 -0.59 0.29 5.04 0.45 -1.10 117.35 122.88 2diq s TYR 66 Ca 0.43 -2.58 -0.26 0.00 -2.44 0.00 0.00 57.07 52.22 2diq s TYR 66 Cb -0.11 -2.33 -0.10 0.00 0.35 0.00 0.00 41.96 39.77 2diq s TYR 66 CO 0.28 -0.90 2.43 1.19 -1.34 0.00 0.00 175.55 177.21 2diq n PHE 67 N 4.37 1.30 0.43 4.97 3.01 -0.14 0.53 117.46 131.93 2diq n PHE 67 Ca -0.06 0.11 0.13 0.00 1.01 0.00 0.00 57.45 58.63 2diq n PHE 67 Cb 0.42 -2.58 0.48 0.00 -0.01 0.00 0.00 39.48 37.79 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 7.71 0.00 0.16 -4.37 -1.51 -1.67 1.10 116.25 117.66 2diq h VAL 68 Ca -0.18 -0.35 -0.35 0.00 -1.23 0.00 0.00 66.70 64.60 2diq h VAL 68 Cb 1.22 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 31.56 2diq h VAL 68 CO 1.15 0.00 -1.77 0.44 -1.23 0.00 0.00 177.57 176.16 2diq h ASP 69 N 0.00 0.51 0.00 4.19 3.32 -1.79 0.70 116.42 123.36 2diq h ASP 69 Ca 0.00 -0.84 -0.33 0.00 0.02 0.00 0.00 57.03 55.89 2diq h ASP 69 Cb 0.49 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 2diq h ASP 69 CO 0.00 1.72 -2.06 0.49 -1.72 0.00 0.00 179.24 177.67 2diq n PHE 70 N -3.52 0.00 0.00 4.55 3.01 -1.16 -3.26 117.46 117.08 2diq n PHE 70 Ca -0.25 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.21 2diq n PHE 70 Cb 1.06 -0.79 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 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 1.49 1.37 2.08 1.37 0.00 0.38 -4.72 105.19 107.16 2diq n GLY 71 Ca -0.41 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 -2.54 -4.22 1.61 8.00 -1.26 -4.55 116.55 113.59 2diq n ASP 72 Ca 0.00 -0.73 -0.29 0.00 0.71 0.00 0.00 54.79 54.48 2diq n ASP 72 Cb 0.00 -0.62 -0.16 0.00 -0.02 0.00 0.00 41.12 40.31 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 -3.01 2.70 0.24 -2.24 -0.87 -1.26 -0.97 114.94 109.52 2diq s ASN 73 Ca 0.43 -0.44 0.10 0.00 -1.57 0.00 0.00 52.86 51.38 2diq s ASN 73 Cb -0.06 -0.70 -0.05 0.00 -0.02 0.00 0.00 41.25 40.42 2diq s ASN 73 CO 0.34 0.21 -0.19 -0.83 -2.57 0.00 0.00 177.10 174.07 2diq s GLY 74 N -0.13 1.69 -0.03 0.66 0.00 -0.26 -4.94 107.32 104.32 2diq s GLY 74 Ca -0.02 -1.74 0.03 0.00 0.00 0.00 0.00 44.72 42.99 2diq s GLY 74 CO 0.03 -1.82 -0.13 0.51 0.00 0.00 0.00 173.10 171.68 2diq s ASP 75 N -3.24 1.66 -0.15 1.64 -4.77 -1.26 0.01 116.67 110.56 2diq s ASP 75 Ca 0.25 -0.26 -0.29 0.00 -3.30 0.00 0.00 52.55 48.94 2diq s ASP 75 Cb -0.05 -0.42 0.10 0.00 -1.09 0.00 0.00 42.92 41.47 2diq s ASP 75 CO 0.11 0.12 0.88 0.00 0.70 0.00 0.00 175.17 176.98 2diq s PRO 77 N -0.85 4.46 0.33 0.00 0.04 -1.26 -2.78 135.00 134.95 2diq s PRO 77 Ca -0.04 2.06 0.11 0.00 0.04 0.00 0.00 61.00 63.17 2diq s PRO 77 Cb -0.01 -3.12 0.98 0.00 0.04 0.00 0.00 34.50 32.39 2diq s PRO 77 CO 0.03 -0.04 1.65 1.25 0.04 0.00 0.00 177.00 179.94 2diq h LEU 78 N 3.63 0.34 -1.14 -3.56 6.46 -1.95 0.75 115.31 119.83 2diq h LEU 78 Ca -0.48 0.20 0.06 0.00 -0.12 0.00 0.00 57.88 57.53 2diq h LEU 78 Cb 1.22 0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 41.28 2diq h LEU 78 CO 0.66 -0.15 0.59 0.07 -0.62 0.00 0.00 178.44 178.99 2diq h LYS 79 N 0.28 1.02 -0.91 1.25 5.09 -1.91 0.01 116.57 121.40 2diq h LYS 79 Ca 0.68 -0.06 -0.09 0.00 0.09 0.00 0.00 60.65 61.27 2diq h LYS 79 Cb 1.51 -0.23 -0.05 0.00 0.10 0.00 0.00 32.23 33.56 2diq h LYS 79 CO -0.63 0.68 0.11 -3.47 -2.09 0.00 0.00 179.45 174.05 2diq n ASP 80 N -4.48 3.02 -4.50 7.07 2.03 0.26 -4.06 116.55 115.89 2diq n ASP 80 Ca 0.13 -2.47 -0.26 0.00 0.52 0.00 0.00 54.79 52.71 2diq n ASP 80 Cb 0.17 -0.60 -0.10 0.00 -0.72 0.00 0.00 41.12 39.87 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 -1.13 2.69 -0.03 -2.67 1.43 -0.01 -4.24 118.68 114.72 2diq s LEU 81 Ca 0.21 -0.77 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 2diq s LEU 81 Cb 0.17 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 45.04 2diq s LEU 81 CO 0.05 0.10 -0.02 -0.13 0.23 0.00 0.00 176.35 176.58 2diq s ARG 82 N -2.89 0.53 -0.20 1.70 1.81 -0.32 -3.92 118.95 115.66 2diq s ARG 82 Ca 0.24 -0.03 -0.28 0.00 -1.72 0.00 0.00 55.73 53.94 2diq s ARG 82 Cb -0.08 -0.62 -0.05 0.00 -0.45 0.00 0.00 34.95 33.76 2diq s ARG 82 CO 0.13 -0.08 2.12 0.00 -0.68 0.00 0.00 175.30 176.79 2diq s ALA 83 N 0.84 2.86 0.37 2.13 0.00 -1.26 -0.11 121.76 126.59 2diq s ALA 83 Ca -0.10 0.77 -0.24 0.00 0.00 0.00 0.00 51.96 52.39 2diq s ALA 83 Cb -0.13 -4.03 -0.13 0.00 0.00 0.00 0.00 23.12 18.83 2diq s ALA 83 CO -0.01 -2.61 0.66 -0.11 0.00 0.00 0.00 175.76 173.70 2diq n LEU 84 N 10.94 0.33 -4.94 0.00 7.94 -1.26 -4.84 117.00 125.16 2diq n LEU 84 Ca 0.27 1.00 -0.24 0.00 -1.11 0.00 0.00 56.01 55.93 2diq n LEU 84 Cb 0.45 -1.14 0.02 0.00 0.53 0.00 0.00 43.42 43.27 2diq n LEU 84 CO 0.66 -2.52 0.37 -0.13 -1.11 0.00 0.00 177.39 174.66 2diq s ARG 85 N -1.53 3.01 0.35 1.96 1.81 -1.26 -4.99 118.95 118.30 2diq s ARG 85 Ca 0.62 -0.32 0.07 0.00 -1.72 0.00 0.00 55.73 54.38 2diq s ARG 85 Cb -0.66 -2.46 0.66 0.00 -0.45 0.00 0.00 34.95 32.05 2diq s ARG 85 CO 0.58 -0.43 1.88 0.77 -0.68 0.00 0.00 175.30 177.42 2diq h SER 86 N 0.19 0.37 -0.17 0.23 0.02 -1.99 -2.54 113.55 109.66 2diq h SER 86 Ca -0.46 -0.08 -0.15 0.00 -0.84 0.00 0.00 61.79 60.26 2diq h SER 86 Cb 1.25 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 2diq h SER 86 CO 0.58 0.50 -0.43 -2.24 -1.14 0.00 0.00 176.83 174.10 2diq h ASP 87 N 0.37 0.77 0.70 3.07 3.04 -2.01 -2.52 116.42 119.84 2diq h ASP 87 Ca 0.07 -0.36 0.00 0.00 -3.24 0.00 0.00 57.03 53.50 2diq h ASP 87 Cb 0.39 -0.22 0.00 0.00 -1.04 0.00 0.00 39.33 38.46 2diq h ASP 87 CO 0.02 1.09 0.00 0.49 -2.04 0.00 0.00 179.24 178.80 2diq n PHE 88 N -4.03 0.08 0.18 4.15 3.72 -0.99 -2.42 117.46 118.15 2diq n PHE 88 Ca -0.02 0.03 0.11 0.00 -0.05 0.00 0.00 57.45 57.52 2diq n PHE 88 Cb 0.55 -0.55 -0.12 0.00 -0.94 0.00 0.00 39.48 38.43 2diq n PHE 88 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2diq n LEU 89 N -1.57 0.31 -0.24 4.37 4.77 -1.01 -4.28 117.00 119.36 2diq n LEU 89 Ca 0.05 -0.00 0.32 0.00 -0.03 0.00 0.00 56.01 56.34 2diq n LEU 89 Cb 0.24 -0.02 0.70 0.00 -2.33 0.00 0.00 43.42 42.01 2diq n LEU 89 CO 0.19 0.00 1.29 -1.28 -1.33 0.00 0.00 177.39 176.26 2diq h SER 90 N 0.00 0.00 -3.22 -1.43 0.87 -1.11 -3.38 113.55 105.28 2diq h SER 90 Ca 0.00 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.98 2diq h SER 90 Cb 0.92 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.82 2diq h SER 90 CO 0.00 0.00 -0.11 -0.22 -0.53 0.00 0.00 176.83 175.97 2diq s LEU 91 N -7.75 4.41 0.78 2.23 0.20 -1.26 -5.07 118.68 112.22 2diq s LEU 91 Ca -0.04 1.01 -0.11 0.00 0.69 0.00 0.00 54.13 55.68 2diq s LEU 91 Cb 0.20 -2.75 0.06 0.00 -0.43 0.00 0.00 46.19 43.27 2diq s LEU 91 CO 0.69 0.17 1.09 -2.16 -0.29 0.00 0.00 176.35 175.85 2diq s PRO 92 N -0.35 2.20 -0.46 0.98 0.04 -1.26 -4.93 135.00 131.22 2diq s PRO 92 Ca 0.27 1.16 -0.28 0.00 0.04 0.00 0.00 61.00 62.19 2diq s PRO 92 Cb -0.17 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 2diq s PRO 92 CO 0.14 -1.68 1.77 -0.06 0.04 0.00 0.00 177.00 177.21 2diq s PHE 93 N -2.90 1.83 0.15 0.56 0.08 -1.26 -4.87 117.98 111.56 2diq s PHE 93 Ca 0.61 0.70 -0.17 0.00 0.12 0.00 0.00 56.93 58.19 2diq s PHE 93 Cb -0.17 -4.14 0.05 0.00 -0.57 0.00 0.00 43.02 38.19 2diq s PHE 93 CO 0.56 -2.55 1.72 1.96 -0.10 0.00 0.00 175.22 176.81 2diq h GLN 94 N 13.44 0.13 -4.74 0.44 1.08 -1.77 -3.37 115.11 120.32 2diq h GLN 94 Ca -0.30 -0.01 -0.69 0.00 -1.45 0.00 0.00 58.65 56.20 2diq h GLN 94 Cb 1.16 -0.03 -0.19 0.00 -0.05 0.00 0.00 27.48 28.37 2diq h GLN 94 CO 1.12 0.09 -0.35 0.00 -0.95 0.00 0.00 178.83 178.73 2diq s ALA 95 N -6.18 3.48 0.00 3.87 0.00 0.24 -4.98 121.76 118.19 2diq s ALA 95 Ca -0.13 -1.48 -0.14 0.00 0.00 0.00 0.00 51.96 50.21 2diq s ALA 95 Cb 0.12 -2.87 -0.06 0.00 0.00 0.00 0.00 23.12 20.31 2diq s ALA 95 CO 0.70 -1.31 0.39 0.42 0.00 0.00 0.00 175.76 175.96 2diq s ILE 96 N 1.88 5.07 0.96 0.00 -1.09 -1.26 -4.48 121.20 122.28 2diq s ILE 96 Ca 0.09 0.74 -0.16 0.00 -2.23 0.00 0.00 60.65 59.09 2diq s ILE 96 Cb -0.18 -3.68 0.19 0.00 -1.58 0.00 0.00 42.46 37.21 2diq s ILE 96 CO 0.11 0.55 1.28 -1.83 -1.23 0.00 0.00 174.94 173.82 2diq s GLU 97 N -1.18 0.68 1.05 2.79 1.03 -1.26 -5.02 118.70 116.78 2diq s GLU 97 Ca 0.24 -0.28 -0.20 0.00 0.03 0.00 0.00 54.97 54.76 2diq s GLU 97 Cb -0.16 -1.84 0.04 0.00 -0.80 0.00 0.00 34.13 31.37 2diq s GLU 97 CO 0.13 -2.41 -0.35 0.00 -1.33 0.00 0.00 175.26 171.30 2diq n SER 99 N -0.09 2.04 -3.77 0.00 2.88 -1.26 -4.93 113.62 108.48 2diq n SER 99 Ca 0.01 0.91 -0.13 0.00 -1.33 0.00 0.00 58.87 58.33 2diq n SER 99 Cb 0.59 -1.11 -0.12 0.00 -0.75 0.00 0.00 64.21 62.82 2diq n SER 99 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2diq s LEU 100 N 4.54 0.83 -0.02 2.46 0.20 -1.26 -5.16 118.68 120.26 2diq s LEU 100 Ca 1.04 0.52 -0.00 0.00 0.69 0.00 0.00 54.13 56.37 2diq s LEU 100 Cb -1.12 0.84 0.02 0.00 -0.43 0.00 0.00 46.19 45.49 2diq s LEU 100 CO 0.64 -0.11 0.04 0.00 -0.29 0.00 0.00 176.35 176.63 2diq s ALA 101 N 0.50 0.01 0.34 5.97 0.00 -1.26 -5.13 121.76 122.19 2diq s ALA 101 Ca -0.03 0.27 0.07 0.00 0.00 0.00 0.00 51.96 52.27 2diq s ALA 101 Cb -0.04 -0.21 -0.07 0.00 0.00 0.00 0.00 23.12 22.80 2diq s ALA 101 CO -0.03 -0.08 -0.02 1.03 0.00 0.00 0.00 175.76 176.66 2diq s ARG 102 N 0.77 1.76 0.28 0.00 0.52 -1.26 -5.17 118.95 115.85 2diq s ARG 102 Ca -0.06 -1.95 0.04 0.00 -0.52 0.00 0.00 55.73 53.24 2diq s ARG 102 Cb -0.09 -1.36 -0.03 0.00 0.52 0.00 0.00 34.95 33.98 2diq s ARG 102 CO -0.02 -0.02 0.23 0.96 0.02 0.00 0.00 175.30 176.47 2diq s ILE 103 N -2.89 0.00 -0.18 1.52 -0.00 -1.26 -5.15 121.20 113.24 2diq s ILE 103 Ca 0.33 -1.99 0.01 0.00 -0.00 0.00 0.00 60.65 59.00 2diq s ILE 103 Cb 0.07 -2.50 0.04 0.00 -0.00 0.00 0.00 42.46 40.06 2diq s ILE 103 CO 0.16 0.00 -0.11 0.00 -0.00 0.00 0.00 174.94 174.98 2diq s ALA 104 N -3.72 1.91 0.36 2.27 0.00 -1.26 -5.00 121.76 116.32 2diq s ALA 104 Ca 0.40 -1.07 0.16 0.00 0.00 0.00 0.00 51.96 51.45 2diq s ALA 104 Cb 0.04 -1.19 1.21 0.00 0.00 0.00 0.00 23.12 23.17 2diq s ALA 104 CO 0.21 -0.67 1.58 0.66 0.00 0.00 0.00 175.76 177.54 2diq h SER 105 N 8.01 0.15 -5.06 0.00 4.64 -2.05 -3.43 113.55 115.82 2diq h SER 105 Ca -0.31 0.26 0.04 0.00 -0.47 0.00 0.00 61.79 61.31 2diq h SER 105 Cb 1.11 0.31 -0.06 0.00 -0.31 0.00 0.00 62.40 63.45 2diq h SER 105 CO 0.49 -0.41 0.15 -0.83 -0.87 0.00 0.00 176.83 175.36 2diq s GLY 106 N -4.46 0.05 -0.69 -0.77 0.00 -1.26 -5.10 107.32 95.09 2diq s GLY 106 Ca -0.10 -0.43 -0.26 0.00 0.00 0.00 0.00 44.72 43.93 2diq s GLY 106 CO 0.78 -0.21 1.89 2.56 0.00 0.00 0.00 173.10 178.12 2diq s PRO 107 N -3.94 2.60 0.19 2.90 0.04 -1.26 -4.97 135.00 130.56 2diq s PRO 107 Ca 0.13 0.37 0.04 0.00 0.04 0.00 0.00 61.00 61.59 2diq s PRO 107 Cb -0.05 -4.57 -0.03 0.00 0.04 0.00 0.00 34.50 29.89 2diq s PRO 107 CO 0.07 -2.91 0.30 0.45 0.04 0.00 0.00 177.00 174.96 2diq s SER 108 N 8.10 6.25 0.03 6.66 0.15 -1.26 -5.04 113.70 128.59 2diq s SER 108 Ca 0.68 0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.42 2diq s SER 108 Cb -0.11 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 2diq s SER 108 CO 0.15 -0.00 0.00 -0.24 1.20 0.00 0.00 173.24 174.35 2diq n SER 109 N -0.93 0.31 0.00 5.45 2.88 -1.26 -5.24 113.62 114.82 2diq n SER 109 Ca -0.08 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2diq n SER 109 Cb 0.55 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2diq n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42