#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diq n SER 2 N 0.00 1.97 -4.61 1.61 3.41 -1.26 -4.84 113.62 109.90 2diq n SER 2 Ca 0.00 0.25 -0.43 0.00 -0.26 0.00 0.00 58.87 58.43 2diq n SER 2 Cb 0.00 -0.81 -0.02 0.00 -0.26 0.00 0.00 64.21 63.12 2diq n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2diq s SER 3 N -7.01 6.28 0.00 4.04 0.15 -1.26 -4.52 113.70 111.39 2diq s SER 3 Ca -0.31 1.01 0.00 0.00 0.70 0.00 0.00 55.95 57.35 2diq s SER 3 Cb 0.09 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2diq s SER 3 CO 0.61 -1.44 0.00 0.61 1.20 0.00 0.00 173.24 174.22 2diq n GLY 4 N 5.05 0.16 2.28 9.45 0.00 -1.26 -5.06 105.19 115.80 2diq n GLY 4 Ca 0.18 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2diq n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2diq n SER 5 N 0.00 6.19 -0.31 1.61 3.41 -1.26 -4.82 113.62 118.44 2diq n SER 5 Ca 0.00 -3.77 0.19 0.00 -0.26 0.00 0.00 58.87 55.03 2diq n SER 5 Cb 0.00 -0.66 0.37 0.00 -0.26 0.00 0.00 64.21 63.65 2diq n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2diq n SER 6 N -0.74 0.04 -3.17 4.04 3.41 -1.26 -4.39 113.62 111.55 2diq n SER 6 Ca 0.51 1.55 0.00 0.00 -0.26 0.00 0.00 58.87 60.67 2diq n SER 6 Cb 0.74 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2diq n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2diq n GLY 7 N -1.38 -1.72 3.71 5.00 0.00 -1.26 -4.96 105.19 104.58 2diq n GLY 7 Ca 0.26 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 2diq n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2diq n ARG 8 N -0.22 1.71 -3.39 1.61 1.74 -1.26 -4.99 116.66 111.85 2diq n ARG 8 Ca 0.00 0.62 -0.31 0.00 -0.77 0.00 0.00 57.85 57.39 2diq n ARG 8 Cb 0.00 -2.45 -0.04 0.00 -1.02 0.00 0.00 32.46 28.94 2diq n ARG 8 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2diq s SER 9 N -0.79 6.55 0.12 0.55 0.01 -1.26 -4.93 113.70 113.95 2diq s SER 9 Ca 0.68 0.83 -0.22 0.00 1.31 0.00 0.00 55.95 58.55 2diq s SER 9 Cb -0.45 -2.19 -0.07 0.00 0.21 0.00 0.00 66.02 63.52 2diq s SER 9 CO 0.53 -0.11 1.70 -0.07 0.41 0.00 0.00 173.24 175.69 2diq h LEU 10 N 2.24 -0.23 -1.61 2.44 3.38 -1.97 0.59 115.31 120.15 2diq h LEU 10 Ca -0.47 0.05 0.21 0.00 0.09 0.00 0.00 57.88 57.76 2diq h LEU 10 Cb 1.18 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.98 2diq h LEU 10 CO 0.68 -0.10 0.60 1.56 0.09 0.00 0.00 178.44 181.27 2diq h GLN 11 N -0.09 0.31 0.02 1.13 4.20 -1.98 0.78 115.11 119.48 2diq h GLN 11 Ca 0.06 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2diq h GLN 11 Cb 0.18 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2diq h GLN 11 CO -0.14 0.21 -0.01 1.25 -0.67 0.00 0.00 178.83 179.47 2diq h LEU 12 N 0.32 -0.02 -1.19 1.46 5.85 -1.68 -2.78 115.31 117.27 2diq h LEU 12 Ca 0.46 0.00 0.39 0.00 0.84 0.00 0.00 57.88 59.57 2diq h LEU 12 Cb 1.26 0.01 -0.15 0.00 0.37 0.00 0.00 40.66 42.15 2diq h LEU 12 CO -0.14 0.10 0.69 -0.78 -0.34 0.00 0.00 178.44 177.97 2diq h ASP 13 N -0.26 0.35 -0.16 1.25 1.82 -0.78 1.27 116.42 119.91 2diq h ASP 13 Ca -0.00 0.18 -0.15 0.00 -0.39 0.00 0.00 57.03 56.67 2diq h ASP 13 Cb 0.02 0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.18 2diq h ASP 13 CO 0.00 -0.22 -0.42 0.50 -1.61 0.00 0.00 179.24 177.50 2diq h LYS 14 N 0.15 0.71 -0.18 0.28 3.11 -0.97 -2.66 116.57 117.01 2diq h LYS 14 Ca 0.79 -0.38 -0.18 0.00 -2.81 0.00 0.00 60.65 58.08 2diq h LYS 14 Cb 2.19 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 33.43 2diq h LYS 14 CO -0.55 0.99 -0.61 1.25 -2.81 0.00 0.00 179.45 177.73 2diq h LEU 15 N 0.58 0.68 -1.07 5.20 5.85 0.17 -2.72 115.31 124.00 2diq h LEU 15 Ca 0.04 -0.39 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 2diq h LEU 15 Cb 0.96 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2diq h LEU 15 CO 0.09 1.13 0.07 0.58 -0.34 0.00 0.00 178.44 179.97 2diq h VAL 16 N 0.45 1.22 0.35 1.05 2.07 -0.64 -2.70 116.25 118.05 2diq h VAL 16 Ca -0.00 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 2diq h VAL 16 Cb 1.17 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2diq h VAL 16 CO 0.12 0.30 -0.17 -1.13 0.02 0.00 0.00 177.57 176.71 2diq h ASN 17 N 0.70 -0.40 -0.56 0.57 -0.73 -1.41 -2.74 115.58 111.01 2diq h ASN 17 Ca 0.15 -0.15 0.09 0.00 1.87 0.00 0.00 56.30 58.25 2diq h ASN 17 Cb 0.33 0.10 -0.10 0.00 0.27 0.00 0.00 38.32 38.92 2diq h ASN 17 CO 0.01 0.02 -0.44 -0.33 -0.37 0.00 0.00 177.43 176.32 2diq h GLU 18 N -0.93 -0.23 0.05 6.67 4.39 -1.46 0.14 114.58 123.21 2diq h GLU 18 Ca -0.05 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2diq h GLU 18 Cb 0.53 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 2diq h GLU 18 CO 0.08 -0.15 -0.22 0.52 -1.16 0.00 0.00 179.01 178.08 2diq h MET 19 N -0.24 -0.30 -0.06 2.33 2.86 -1.56 -2.36 114.93 115.60 2diq h MET 19 Ca 0.17 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.84 2diq h MET 19 Cb 0.56 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 2diq h MET 19 CO -0.68 -0.20 -0.10 1.15 1.06 0.00 0.00 176.91 178.14 2diq h THR 20 N -0.31 0.00 -1.53 2.22 2.02 -1.13 0.24 112.91 114.42 2diq h THR 20 Ca -0.00 0.00 0.45 0.00 0.77 0.00 0.00 66.41 67.62 2diq h THR 20 Cb 0.31 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.66 2diq h THR 20 CO -0.12 0.00 1.09 0.00 0.37 0.00 0.00 175.52 176.87 2diq n GLN 21 N -3.17 -0.00 0.00 6.66 1.13 0.44 0.86 117.38 123.30 2diq n GLN 21 Ca -0.01 0.86 0.00 0.00 -1.94 0.00 0.00 57.00 55.92 2diq n GLN 21 Cb 0.07 -1.97 0.00 0.00 0.11 0.00 0.00 30.24 28.44 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 -3.57 0.00 -0.15 1.08 -0.00 0.54 -4.31 115.22 108.81 2diq n HIS 22 Ca 0.35 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.49 2diq n HIS 22 Cb 1.57 -0.30 0.03 0.00 -0.12 0.00 0.00 29.99 31.17 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 -0.34 -1.57 1.57 0.05 0.54 0.43 116.97 117.65 2diq h TYR 23 Ca 0.00 0.05 0.45 0.00 0.05 0.00 0.00 58.73 59.28 2diq h TYR 23 Cb 0.00 0.23 -0.06 0.00 1.01 0.00 0.00 36.73 37.90 2diq h TYR 23 CO 0.00 -0.24 1.16 -0.85 -1.05 0.00 0.00 178.16 177.18 2diq n GLU 24 N -5.37 0.00 -2.35 4.88 0.28 0.25 0.21 120.64 118.54 2diq n GLU 24 Ca 0.04 0.89 -0.27 0.00 -0.16 0.00 0.00 57.16 57.65 2diq n GLU 24 Cb 0.27 -2.06 0.01 0.00 1.43 0.00 0.00 31.44 31.09 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 -3.52 4.93 -4.07 -1.84 0.23 0.14 -5.03 115.26 106.10 2diq n ASN 25 Ca 0.35 -3.73 -0.09 0.00 -0.53 0.00 0.00 54.58 50.58 2diq n ASN 25 Cb 1.63 -0.47 -0.10 0.00 -2.08 0.00 0.00 39.78 38.75 2diq n ASN 25 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2diq s SER 26 N -3.41 0.61 0.53 0.53 1.04 0.56 -5.02 113.70 108.53 2diq s SER 26 Ca 0.49 -0.81 -0.18 0.00 0.48 0.00 0.00 55.95 55.92 2diq s SER 26 Cb 0.41 0.13 -0.06 0.00 0.10 0.00 0.00 66.02 66.59 2diq s SER 26 CO -0.15 -0.44 1.05 0.68 0.98 0.00 0.00 173.24 175.35 2diq s VAL 27 N -2.89 3.79 -0.27 5.02 -7.23 -1.26 -4.97 120.40 112.59 2diq s VAL 27 Ca -0.00 1.00 -0.29 0.00 -1.81 0.00 0.00 61.98 60.88 2diq s VAL 27 Cb 0.00 -3.42 -0.02 0.00 0.56 0.00 0.00 36.38 33.50 2diq s VAL 27 CO -0.05 -0.36 1.65 -2.16 -0.31 0.00 0.00 175.10 173.87 2diq s PRO 28 N -3.60 3.64 -0.10 4.82 0.04 -1.26 -4.99 135.00 133.56 2diq s PRO 28 Ca 0.66 1.52 -0.23 0.00 0.04 0.00 0.00 61.00 62.99 2diq s PRO 28 Cb -0.16 -4.08 -0.03 0.00 0.04 0.00 0.00 34.50 30.26 2diq s PRO 28 CO 0.27 -1.48 0.71 -1.21 0.04 0.00 0.00 177.00 175.33 2diq s GLU 29 N 4.98 4.39 -0.78 4.56 0.41 -1.26 -5.01 118.70 125.99 2diq s GLU 29 Ca 0.73 0.87 -0.17 0.00 -0.41 0.00 0.00 54.97 55.98 2diq s GLU 29 Cb -0.23 -3.48 0.15 0.00 -1.78 0.00 0.00 34.13 28.79 2diq s GLU 29 CO 0.31 -0.03 0.86 -0.51 -0.49 0.00 0.00 175.26 175.40 2diq s ASP 30 N 0.89 6.53 0.15 -0.19 1.01 -1.26 -4.67 116.67 119.13 2diq s ASP 30 Ca 0.36 -2.08 0.10 0.00 0.71 0.00 0.00 52.55 51.64 2diq s ASP 30 Cb -0.17 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 2diq s ASP 30 CO 0.16 -0.91 -0.18 -1.48 0.21 0.00 0.00 175.17 172.98 2diq s LEU 31 N 1.80 2.69 -0.52 1.23 2.34 -1.26 -5.09 118.68 119.87 2diq s LEU 31 Ca 0.21 -0.63 -0.26 0.00 0.06 0.00 0.00 54.13 53.50 2diq s LEU 31 Cb -0.13 -1.48 0.03 0.00 -0.56 0.00 0.00 46.19 44.05 2diq s LEU 31 CO -0.04 0.15 1.00 -0.89 -1.06 0.00 0.00 176.35 175.51 2diq s THR 32 N -1.37 4.33 -0.04 5.48 2.01 -1.26 -5.02 115.64 119.77 2diq s THR 32 Ca 0.20 0.66 0.07 0.00 0.31 0.00 0.00 61.69 62.92 2diq s THR 32 Cb -0.10 -4.54 -0.02 0.00 0.01 0.00 0.00 72.50 67.85 2diq s THR 32 CO 0.11 -1.05 -0.23 0.54 -0.69 0.00 0.00 174.62 173.30 2diq s VAL 33 N 4.12 2.25 0.07 3.82 0.11 -1.26 -5.13 120.40 124.38 2diq s VAL 33 Ca 0.37 -1.02 0.05 0.00 -2.93 0.00 0.00 61.98 58.45 2diq s VAL 33 Cb -0.10 -1.81 -0.03 0.00 -1.53 0.00 0.00 36.38 32.91 2diq s VAL 33 CO 0.24 0.58 -0.15 -1.00 -3.33 0.00 0.00 175.10 171.44 2diq s HIS 34 N -0.48 1.29 -0.38 1.54 3.76 -1.26 -5.04 115.29 114.72 2diq s HIS 34 Ca 0.06 -0.45 -0.34 0.00 -0.15 0.00 0.00 55.06 54.18 2diq s HIS 34 Cb -0.11 -0.72 -0.15 0.00 1.11 0.00 0.00 32.58 32.71 2diq s HIS 34 CO 0.01 0.07 1.58 1.55 -0.85 0.00 0.00 174.74 177.10 2diq n VAL 35 N 1.29 0.00 0.00 -0.90 3.14 -1.26 -1.22 118.33 119.39 2diq n VAL 35 Ca -0.21 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 2diq n VAL 35 Cb 0.54 -0.38 0.00 0.00 -1.06 0.00 0.00 33.84 32.94 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 5.38 1.55 3.86 7.55 0.00 0.10 -4.91 105.19 118.71 2diq n GLY 36 Ca 0.40 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.05 6.45 -0.16 1.61 1.01 -0.35 -4.83 116.67 119.34 2diq s ASP 37 Ca 0.00 1.45 -0.02 0.00 0.71 0.00 0.00 52.55 54.69 2diq s ASP 37 Cb 0.00 -2.47 -0.02 0.00 1.01 0.00 0.00 42.92 41.45 2diq s ASP 37 CO 0.00 -0.67 -0.08 -0.63 0.21 0.00 0.00 175.17 174.00 2diq s ILE 38 N -2.81 3.37 0.19 0.77 -1.09 -1.26 -2.13 121.20 118.23 2diq s ILE 38 Ca 0.56 -0.53 0.01 0.00 -2.23 0.00 0.00 60.65 58.46 2diq s ILE 38 Cb -0.10 -2.47 -0.00 0.00 -1.58 0.00 0.00 42.46 38.31 2diq s ILE 38 CO 0.40 0.49 0.23 1.33 -1.23 0.00 0.00 174.94 176.16 2diq n VAL 39 N 3.92 0.00 -5.06 2.92 0.24 -1.17 -4.28 118.33 114.90 2diq n VAL 39 Ca -0.18 -1.13 -0.32 0.00 -2.04 0.00 0.00 64.34 60.67 2diq n VAL 39 Cb 0.52 0.64 -0.15 0.00 -1.47 0.00 0.00 33.84 33.39 2diq n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2diq s ALA 40 N -2.44 2.42 -0.02 2.33 0.00 0.90 -2.51 121.76 122.45 2diq s ALA 40 Ca 0.19 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 2diq s ALA 40 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.29 2diq s ALA 40 CO 0.13 0.48 0.06 0.00 0.00 0.00 0.00 175.76 176.43 2diq s ALA 41 N -0.42 -0.13 0.83 0.00 0.00 -1.18 -0.85 121.76 120.01 2diq s ALA 41 Ca 0.04 0.04 -0.11 0.00 0.00 0.00 0.00 51.96 51.93 2diq s ALA 41 Cb -0.12 -0.05 0.09 0.00 0.00 0.00 0.00 23.12 23.05 2diq s ALA 41 CO 0.02 -0.07 1.09 -1.25 0.00 0.00 0.00 175.76 175.55 2diq s PRO 42 N -0.32 1.75 -0.19 0.00 0.04 -1.26 -1.13 135.00 133.90 2diq s PRO 42 Ca -0.04 0.99 -0.01 0.00 0.04 0.00 0.00 61.00 61.98 2diq s PRO 42 Cb -0.03 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2diq s PRO 42 CO 0.00 -1.94 -0.11 -1.17 0.04 0.00 0.00 177.00 173.81 2diq s LEU 43 N -6.07 2.58 0.33 -3.56 2.96 -0.08 -4.86 118.68 109.99 2diq s LEU 43 Ca 0.62 -0.48 0.26 0.00 -0.22 0.00 0.00 54.13 54.32 2diq s LEU 43 Cb -0.18 -1.62 1.09 0.00 0.50 0.00 0.00 46.19 45.98 2diq s LEU 43 CO 0.56 0.01 1.78 1.55 -1.32 0.00 0.00 176.35 178.94 2diq h PRO 44 N 7.84 0.00 0.01 0.98 0.13 -1.92 1.36 132.00 140.42 2diq h PRO 44 Ca -0.41 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.37 2diq h PRO 44 Cb 1.16 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 2diq h PRO 44 CO 0.61 0.00 -1.97 0.25 -0.23 0.00 0.00 178.00 176.65 2diq n THR 45 N -2.45 1.56 -0.01 1.56 -2.24 -1.26 -4.64 114.28 106.79 2diq n THR 45 Ca 0.02 -0.30 -0.21 0.00 -2.27 0.00 0.00 64.05 61.29 2diq n THR 45 Cb 0.24 -1.88 -0.14 0.00 -2.10 0.00 0.00 70.33 66.46 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 -4.13 2.10 -0.19 3.42 5.15 -1.21 -5.02 115.26 115.37 2diq n ASN 46 Ca -0.42 0.20 0.00 0.00 -0.60 0.00 0.00 54.58 53.76 2diq n ASN 46 Cb 0.84 -0.84 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 1.97 1.03 3.24 8.20 0.00 0.47 -5.00 105.19 115.09 2diq n GLY 47 Ca -0.33 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.46 -0.13 0.23 1.61 0.01 -1.24 -4.79 113.70 106.94 2diq s SER 48 Ca 0.00 -0.13 -0.30 0.00 1.31 0.00 0.00 55.95 56.84 2diq s SER 48 Cb 0.00 0.34 -0.09 0.00 0.21 0.00 0.00 66.02 66.48 2diq s SER 48 CO 0.00 -0.56 1.04 0.26 0.41 0.00 0.00 173.24 174.39 2diq s TRP 49 N -2.19 3.73 0.01 2.43 0.52 -1.26 -0.90 118.94 121.28 2diq s TRP 49 Ca -0.08 1.76 0.00 0.00 0.02 0.00 0.00 56.10 57.80 2diq s TRP 49 Cb -0.02 -3.17 -0.01 0.00 -1.15 0.00 0.00 33.47 29.12 2diq s TRP 49 CO -0.01 -0.19 -0.02 0.71 0.02 0.00 0.00 176.95 177.47 2diq s TYR 50 N -0.89 0.14 -0.14 -1.98 2.02 -0.28 -4.65 117.35 111.57 2diq s TYR 50 Ca 0.45 -0.16 -0.29 0.00 -0.37 0.00 0.00 57.07 56.70 2diq s TYR 50 Cb -0.29 -0.09 -0.05 0.00 -0.40 0.00 0.00 41.96 41.13 2diq s TYR 50 CO 0.36 -0.05 1.86 1.03 -1.57 0.00 0.00 175.55 177.18 2diq s ARG 51 N -0.44 3.76 0.19 -0.62 0.52 -1.26 -3.08 118.95 118.02 2diq s ARG 51 Ca -0.04 2.04 0.07 0.00 -0.52 0.00 0.00 55.73 57.28 2diq s ARG 51 Cb -0.03 -4.15 -0.05 0.00 0.52 0.00 0.00 34.95 31.25 2diq s ARG 51 CO -0.00 -1.36 -0.13 0.00 0.02 0.00 0.00 175.30 173.82 2diq s ALA 52 N 5.66 1.84 -0.19 2.13 0.00 -1.04 -2.15 121.76 128.00 2diq s ALA 52 Ca 0.83 -1.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 2diq s ALA 52 Cb -0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2diq s ALA 52 CO 0.34 0.02 -0.03 0.50 0.00 0.00 0.00 175.76 176.59 2diq s ARG 53 N -3.63 3.51 0.18 0.00 3.52 0.25 -3.02 118.95 119.76 2diq s ARG 53 Ca 0.20 -0.58 -0.32 0.00 -0.13 0.00 0.00 55.73 54.91 2diq s ARG 53 Cb -0.00 -2.98 -0.10 0.00 -1.56 0.00 0.00 34.95 30.30 2diq s ARG 53 CO 0.05 -0.02 1.59 0.08 -0.81 0.00 0.00 175.30 176.19 2diq s VAL 54 N 1.03 2.51 -0.29 7.11 1.01 -0.91 0.14 120.40 131.00 2diq s VAL 54 Ca 0.01 0.37 0.09 0.00 0.00 0.00 0.00 61.98 62.45 2diq s VAL 54 Cb -0.15 -3.24 -0.12 0.00 0.00 0.00 0.00 36.38 32.88 2diq s VAL 54 CO 0.01 0.03 0.33 0.18 0.00 0.00 0.00 175.10 175.65 2diq n LEU 55 N 3.85 0.29 0.00 3.92 4.77 0.23 0.03 117.00 130.08 2diq n LEU 55 Ca 0.14 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 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 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2diq n GLY 56 N 1.47 0.05 3.07 -0.72 0.00 -1.25 -4.66 105.19 103.14 2diq n GLY 56 Ca 0.01 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.66 0.68 0.54 2.61 2.01 -1.26 -3.40 115.64 114.16 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 -0.69 0.11 0.00 0.01 0.00 0.00 72.50 71.93 2diq s THR 57 CO 0.00 -0.23 0.73 0.18 -0.69 0.00 0.00 174.62 174.61 2diq n LEU 58 N 1.72 0.00 0.07 4.42 4.77 0.78 -4.83 117.00 123.93 2diq n LEU 58 Ca -0.20 -1.42 -0.10 0.00 -0.03 0.00 0.00 56.01 54.26 2diq n LEU 58 Cb 0.55 -0.49 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 2diq n LEU 58 CO 0.22 -0.89 0.30 -0.08 -1.33 0.00 0.00 177.39 175.61 2diq h GLU 59 N 0.00 0.32 0.01 3.23 4.81 -2.02 -3.26 114.58 117.66 2diq h GLU 59 Ca -0.24 -0.29 -0.27 0.00 -0.13 0.00 0.00 59.36 58.42 2diq h GLU 59 Cb 0.86 0.07 0.02 0.00 0.63 0.00 0.00 28.75 30.33 2diq h GLU 59 CO 0.24 0.97 -1.06 -2.95 -0.73 0.00 0.00 179.01 175.48 2diq h ASN 60 N 0.20 0.90 0.00 1.04 7.08 -2.06 -3.48 115.58 119.26 2diq h ASN 60 Ca -0.04 -0.73 0.00 0.00 -3.08 0.00 0.00 56.30 52.45 2diq h ASN 60 Cb 1.40 -0.28 0.00 0.00 -2.08 0.00 0.00 38.32 37.36 2diq h ASN 60 CO 0.13 1.54 0.00 0.61 -2.08 0.00 0.00 177.43 177.63 2diq n GLY 61 N 1.11 1.14 3.49 9.14 0.00 -1.23 -5.14 105.19 113.70 2diq n GLY 61 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.31 -4.48 1.61 4.13 -1.26 -4.47 115.26 109.49 2diq n ASN 62 Ca 0.00 0.09 -0.35 0.00 1.68 0.00 0.00 54.58 56.00 2diq n ASN 62 Cb 0.00 -1.26 -0.12 0.00 -1.54 0.00 0.00 39.78 36.85 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 -5.10 3.32 -0.53 3.41 1.43 -0.97 -0.15 118.68 120.08 2diq s LEU 63 Ca 0.64 -0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 53.31 2diq s LEU 63 Cb -0.22 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 2diq s LEU 63 CO 0.64 0.09 1.83 -0.62 0.23 0.00 0.00 176.35 178.51 2diq s ASP 64 N 0.85 5.46 0.10 2.29 -1.08 -1.22 -3.43 116.67 119.64 2diq s ASP 64 Ca 0.01 0.60 -0.05 0.00 -0.52 0.00 0.00 52.55 52.58 2diq s ASP 64 Cb -0.14 -2.53 -0.05 0.00 -1.46 0.00 0.00 42.92 38.74 2diq s ASP 64 CO 0.02 -2.18 0.34 -0.76 0.52 0.00 0.00 175.17 173.11 2diq s LEU 65 N 8.42 4.31 -0.31 -1.34 1.43 0.17 0.76 118.68 132.12 2diq s LEU 65 Ca 0.70 0.58 0.01 0.00 -1.03 0.00 0.00 54.13 54.39 2diq s LEU 65 Cb -0.15 -3.09 0.07 0.00 0.03 0.00 0.00 46.19 43.05 2diq s LEU 65 CO 0.24 0.12 -0.00 -0.47 0.23 0.00 0.00 176.35 176.48 2diq s TYR 66 N -1.53 3.41 -0.39 0.29 5.04 0.37 0.00 117.35 124.55 2diq s TYR 66 Ca 0.36 -2.33 -0.29 0.00 -2.44 0.00 0.00 57.07 52.38 2diq s TYR 66 Cb -0.13 -2.36 -0.08 0.00 0.35 0.00 0.00 41.96 39.74 2diq s TYR 66 CO 0.22 -0.88 2.32 1.19 -1.34 0.00 0.00 175.55 177.06 2diq n PHE 67 N 4.48 1.62 0.21 4.97 3.01 0.22 0.86 117.46 132.83 2diq n PHE 67 Ca -0.09 0.06 0.10 0.00 1.01 0.00 0.00 57.45 58.53 2diq n PHE 67 Cb 0.42 -2.65 0.19 0.00 -0.01 0.00 0.00 39.48 37.44 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 7.41 0.24 0.11 -4.37 -1.51 -1.69 0.87 116.25 117.31 2diq h VAL 68 Ca -0.30 -1.26 -0.28 0.00 -1.23 0.00 0.00 66.70 63.63 2diq h VAL 68 Cb 1.27 2.05 -0.00 0.00 -2.13 0.00 0.00 31.29 32.48 2diq h VAL 68 CO 1.07 0.13 -1.31 0.44 -1.23 0.00 0.00 177.57 176.67 2diq h ASP 69 N 0.00 0.36 0.00 4.19 3.32 -1.78 1.19 116.42 123.70 2diq h ASP 69 Ca -0.00 -0.41 -0.28 0.00 0.02 0.00 0.00 57.03 56.36 2diq h ASP 69 Cb 1.04 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.43 2diq h ASP 69 CO 0.02 1.33 -1.87 0.49 -1.72 0.00 0.00 179.24 177.49 2diq n PHE 70 N -3.48 0.00 0.00 4.55 3.01 -1.22 -2.59 117.46 117.73 2diq n PHE 70 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 2diq n PHE 70 Cb 1.02 -0.66 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 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 1.76 1.23 1.74 1.37 0.00 0.30 -4.66 105.19 106.94 2diq n GLY 71 Ca -0.35 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.71 -4.19 1.61 9.92 -1.25 -4.61 116.55 116.32 2diq n ASP 72 Ca 0.00 -0.79 -0.28 0.00 -0.53 0.00 0.00 54.79 53.19 2diq n ASP 72 Cb 0.00 -0.50 -0.16 0.00 -0.64 0.00 0.00 41.12 39.82 2diq n ASP 72 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 2diq s ASN 73 N -2.94 2.52 0.20 -2.24 -0.87 -1.26 -0.61 114.94 109.74 2diq s ASN 73 Ca 0.35 -0.41 0.09 0.00 -1.57 0.00 0.00 52.86 51.32 2diq s ASN 73 Cb -0.04 -0.63 -0.05 0.00 -0.02 0.00 0.00 41.25 40.51 2diq s ASN 73 CO 0.27 0.20 -0.17 -0.83 -2.57 0.00 0.00 177.10 174.00 2diq s GLY 74 N -0.11 1.52 -0.05 0.66 0.00 0.10 -4.93 107.32 104.51 2diq s GLY 74 Ca -0.02 -1.64 0.03 0.00 0.00 0.00 0.00 44.72 43.09 2diq s GLY 74 CO 0.02 -1.72 -0.15 0.51 0.00 0.00 0.00 173.10 171.77 2diq s ASP 75 N -3.09 1.96 -0.18 1.64 -4.77 -1.26 0.43 116.67 111.40 2diq s ASP 75 Ca 0.21 -0.32 -0.28 0.00 -3.30 0.00 0.00 52.55 48.86 2diq s ASP 75 Cb -0.04 -0.65 0.10 0.00 -1.09 0.00 0.00 42.92 41.24 2diq s ASP 75 CO 0.09 0.11 0.86 0.00 0.70 0.00 0.00 175.17 176.93 2diq s PRO 77 N -0.52 3.23 0.16 0.00 0.04 -1.26 -2.29 135.00 134.36 2diq s PRO 77 Ca -0.03 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 62.40 2diq s PRO 77 Cb -0.02 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.61 2diq s PRO 77 CO 0.02 -0.94 1.68 1.25 0.04 0.00 0.00 177.00 179.05 2diq h LEU 78 N 0.93 -0.29 -2.00 -3.56 6.46 -1.96 0.13 115.31 115.03 2diq h LEU 78 Ca -0.49 0.11 0.13 0.00 -0.12 0.00 0.00 57.88 57.50 2diq h LEU 78 Cb 1.26 0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 41.38 2diq h LEU 78 CO 0.56 -0.10 0.44 0.07 -0.62 0.00 0.00 178.44 178.79 2diq h LYS 79 N 0.03 0.00 -0.70 1.25 5.09 -1.93 0.66 116.57 120.98 2diq h LYS 79 Ca 0.18 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 60.83 2diq h LYS 79 Cb 0.28 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 32.55 2diq h LYS 79 CO -0.37 0.00 0.12 -3.47 -2.09 0.00 0.00 179.45 173.65 2diq n ASP 80 N -3.86 5.00 -4.61 7.07 2.03 0.43 -4.40 116.55 118.21 2diq n ASP 80 Ca 0.08 -2.98 -0.25 0.00 0.52 0.00 0.00 54.79 52.16 2diq n ASP 80 Cb 0.63 -0.70 -0.09 0.00 -0.72 0.00 0.00 41.12 40.24 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 -2.62 2.91 -0.06 -2.67 1.43 0.23 -4.17 118.68 113.73 2diq s LEU 81 Ca 0.50 -1.08 -0.06 0.00 -1.03 0.00 0.00 54.13 52.46 2diq s LEU 81 Cb 0.39 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 45.40 2diq s LEU 81 CO 0.14 -0.26 0.17 -0.13 0.23 0.00 0.00 176.35 176.50 2diq s ARG 82 N -3.70 0.20 -0.50 1.70 1.81 -0.03 -4.13 118.95 114.31 2diq s ARG 82 Ca 0.35 0.25 -0.27 0.00 -1.72 0.00 0.00 55.73 54.33 2diq s ARG 82 Cb 0.02 0.09 -0.02 0.00 -0.45 0.00 0.00 34.95 34.59 2diq s ARG 82 CO 0.19 -0.03 1.78 0.00 -0.68 0.00 0.00 175.30 176.56 2diq s ALA 83 N 0.13 2.51 -0.12 2.13 0.00 -1.26 -0.07 121.76 125.08 2diq s ALA 83 Ca -0.00 -0.30 -0.38 0.00 0.00 0.00 0.00 51.96 51.28 2diq s ALA 83 Cb -0.02 -4.17 -0.15 0.00 0.00 0.00 0.00 23.12 18.79 2diq s ALA 83 CO -0.00 -3.30 1.66 -0.11 0.00 0.00 0.00 175.76 174.01 2diq n LEU 84 N 11.44 2.45 -4.78 0.00 7.94 -1.26 -4.90 117.00 127.88 2diq n LEU 84 Ca 0.21 1.07 -0.31 0.00 -1.11 0.00 0.00 56.01 55.86 2diq n LEU 84 Cb 0.50 -1.22 0.07 0.00 0.53 0.00 0.00 43.42 43.30 2diq n LEU 84 CO 0.70 -0.51 0.71 -0.13 -1.11 0.00 0.00 177.39 177.05 2diq s ARG 85 N 2.67 2.57 0.38 1.96 0.52 -1.26 -4.90 118.95 120.88 2diq s ARG 85 Ca 0.92 1.15 0.06 0.00 -0.52 0.00 0.00 55.73 57.35 2diq s ARG 85 Cb -0.94 -1.94 0.77 0.00 0.52 0.00 0.00 34.95 33.36 2diq s ARG 85 CO 0.56 -1.40 2.00 0.77 0.02 0.00 0.00 175.30 177.25 2diq h SER 86 N -0.76 0.61 -0.83 0.23 0.02 -1.98 -1.76 113.55 109.08 2diq h SER 86 Ca -0.44 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.51 2diq h SER 86 Cb 1.23 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 2diq h SER 86 CO 0.53 0.42 0.55 -2.24 -1.14 0.00 0.00 176.83 174.95 2diq h ASP 87 N 0.71 0.95 0.86 3.07 2.03 -2.01 -0.40 116.42 121.63 2diq h ASP 87 Ca 0.25 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.52 2diq h ASP 87 Cb 0.10 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 38.37 2diq h ASP 87 CO -0.07 0.69 0.00 0.49 -1.03 0.00 0.00 179.24 179.32 2diq n PHE 88 N -4.51 0.24 0.22 4.15 3.72 -0.70 -2.62 117.46 117.96 2diq n PHE 88 Ca 0.09 0.08 0.11 0.00 -0.05 0.00 0.00 57.45 57.68 2diq n PHE 88 Cb 0.01 -0.63 -0.05 0.00 -0.94 0.00 0.00 39.48 37.87 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 -1.71 0.52 0.02 4.37 4.77 -0.28 -4.16 117.00 120.54 2diq n LEU 89 Ca 0.05 0.11 0.22 0.00 -0.03 0.00 0.00 56.01 56.36 2diq n LEU 89 Cb 0.28 -0.05 0.67 0.00 -2.33 0.00 0.00 43.42 41.99 2diq n LEU 89 CO 0.22 -0.06 1.20 -1.28 -1.33 0.00 0.00 177.39 176.14 2diq h SER 90 N 0.00 0.00 -3.18 -1.43 0.87 -0.98 -3.39 113.55 105.45 2diq h SER 90 Ca 0.00 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.97 2diq h SER 90 Cb 0.91 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.81 2diq h SER 90 CO 0.00 0.00 -0.17 -0.22 -0.53 0.00 0.00 176.83 175.91 2diq s LEU 91 N -7.09 4.38 0.71 2.23 0.20 -1.26 -5.07 118.68 112.78 2diq s LEU 91 Ca -0.04 0.90 -0.13 0.00 0.69 0.00 0.00 54.13 55.55 2diq s LEU 91 Cb 0.15 -2.64 0.02 0.00 -0.43 0.00 0.00 46.19 43.29 2diq s LEU 91 CO 0.51 0.18 1.10 -2.16 -0.29 0.00 0.00 176.35 175.69 2diq s PRO 92 N -0.29 2.57 -0.36 0.98 0.04 -1.26 -4.92 135.00 131.75 2diq s PRO 92 Ca 0.24 1.29 -0.28 0.00 0.04 0.00 0.00 61.00 62.30 2diq s PRO 92 Cb -0.16 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 2diq s PRO 92 CO 0.12 -1.42 1.96 -0.06 0.04 0.00 0.00 177.00 177.65 2diq s PHE 93 N -2.59 1.57 0.21 0.56 0.08 -1.26 -4.86 117.98 111.69 2diq s PHE 93 Ca 0.64 0.73 -0.09 0.00 0.12 0.00 0.00 56.93 58.33 2diq s PHE 93 Cb -0.19 -4.02 0.27 0.00 -0.57 0.00 0.00 43.02 38.51 2diq s PHE 93 CO 0.48 -3.07 1.78 1.96 -0.10 0.00 0.00 175.22 176.27 2diq h GLN 94 N 14.36 0.57 -4.39 0.44 1.08 -1.75 -3.35 115.11 122.07 2diq h GLN 94 Ca -0.33 -0.03 -0.73 0.00 -1.45 0.00 0.00 58.65 56.10 2diq h GLN 94 Cb 1.19 -0.13 -0.22 0.00 -0.05 0.00 0.00 27.48 28.28 2diq h GLN 94 CO 1.05 0.38 -0.22 0.00 -0.95 0.00 0.00 178.83 179.09 2diq s ALA 95 N -6.08 3.54 -0.09 3.87 0.00 0.41 -4.95 121.76 118.45 2diq s ALA 95 Ca -0.13 -2.15 -0.10 0.00 0.00 0.00 0.00 51.96 49.59 2diq s ALA 95 Cb 0.17 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 2diq s ALA 95 CO 0.76 -1.87 0.22 0.42 0.00 0.00 0.00 175.76 175.29 2diq s ILE 96 N 1.85 5.37 0.59 0.00 -1.09 -1.26 -4.46 121.20 122.19 2diq s ILE 96 Ca 0.06 0.40 -0.03 0.00 -2.23 0.00 0.00 60.65 58.85 2diq s ILE 96 Cb -0.25 -3.50 0.03 0.00 -1.58 0.00 0.00 42.46 37.17 2diq s ILE 96 CO 0.07 0.59 0.86 -1.83 -1.23 0.00 0.00 174.94 173.40 2diq s GLU 97 N -0.93 2.60 -0.39 2.79 -1.05 -1.26 -5.02 118.70 115.44 2diq s GLU 97 Ca 0.17 -0.41 -0.29 0.00 -0.15 0.00 0.00 54.97 54.30 2diq s GLU 97 Cb -0.13 -2.35 0.01 0.00 -0.44 0.00 0.00 34.13 31.22 2diq s GLU 97 CO 0.06 -0.80 1.27 0.00 0.95 0.00 0.00 175.26 176.74 2diq s SER 99 N 2.95 -0.06 -0.97 0.00 1.04 -1.26 -5.07 113.70 110.33 2diq s SER 99 Ca 0.54 -0.45 -0.24 0.00 0.48 0.00 0.00 55.95 56.29 2diq s SER 99 Cb -0.13 0.39 -0.09 0.00 0.10 0.00 0.00 66.02 66.30 2diq s SER 99 CO 0.28 -0.76 2.03 -0.22 0.98 0.00 0.00 173.24 175.55 2diq s LEU 100 N -3.25 3.02 -0.32 2.42 1.98 -1.26 -4.89 118.68 116.39 2diq s LEU 100 Ca 0.19 -0.85 -0.37 0.00 -2.89 0.00 0.00 54.13 50.21 2diq s LEU 100 Cb -0.01 -2.57 -0.13 0.00 0.66 0.00 0.00 46.19 44.14 2diq s LEU 100 CO 0.02 -3.18 2.04 0.00 -1.89 0.00 0.00 176.35 173.34 2diq n ALA 101 N 15.28 0.67 -2.57 5.97 0.00 -1.26 -4.94 120.51 133.66 2diq n ALA 101 Ca 0.42 0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.67 2diq n ALA 101 Cb 0.46 -2.43 -0.10 0.00 0.00 0.00 0.00 19.45 17.38 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 5.31 2.25 -0.13 0.00 1.70 -1.26 -5.12 118.95 121.69 2diq s ARG 102 Ca 1.06 -0.93 -0.00 0.00 -0.47 0.00 0.00 55.73 55.38 2diq s ARG 102 Cb -0.94 -2.35 -0.02 0.00 -0.57 0.00 0.00 34.95 31.07 2diq s ARG 102 CO 0.55 0.54 -0.12 0.96 -1.08 0.00 0.00 175.30 176.15 2diq s ILE 103 N -1.13 3.13 0.01 4.99 -4.36 -1.26 -5.11 121.20 117.47 2diq s ILE 103 Ca 0.20 -0.63 -0.15 0.00 -0.26 0.00 0.00 60.65 59.80 2diq s ILE 103 Cb -0.11 -2.32 -0.06 0.00 1.25 0.00 0.00 42.46 41.22 2diq s ILE 103 CO 0.11 0.52 0.43 0.00 0.24 0.00 0.00 174.94 176.25 2diq s ALA 104 N 0.35 3.68 -0.37 2.27 0.00 -1.26 -5.06 121.76 121.37 2diq s ALA 104 Ca -0.10 -0.18 -0.14 0.00 0.00 0.00 0.00 51.96 51.53 2diq s ALA 104 Cb -0.16 -2.43 -0.00 0.00 0.00 0.00 0.00 23.12 20.53 2diq s ALA 104 CO 0.05 0.46 0.31 -1.54 0.00 0.00 0.00 175.76 175.04 2diq s SER 105 N -1.06 6.12 1.15 0.00 1.04 -1.26 -5.08 113.70 114.61 2diq s SER 105 Ca 0.24 -0.53 -0.13 0.00 0.48 0.00 0.00 55.95 56.02 2diq s SER 105 Cb -0.17 -2.17 0.19 0.00 0.10 0.00 0.00 66.02 63.97 2diq s SER 105 CO 0.14 -0.35 0.69 0.61 0.98 0.00 0.00 173.24 175.31 2diq n GLY 106 N 5.09 -2.59 2.00 7.32 0.00 -1.26 -5.05 105.19 110.69 2diq n GLY 106 Ca -0.11 -1.49 -0.17 0.00 0.00 0.00 0.00 46.02 44.25 2diq n GLY 106 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2diq n PRO 107 N -3.55 -2.24 -4.14 1.61 -0.04 -1.26 -5.10 135.00 120.28 2diq n PRO 107 Ca 0.10 -1.00 -0.11 0.00 -0.04 0.00 0.00 63.50 62.45 2diq n PRO 107 Cb 0.37 -0.93 -0.09 0.00 -0.04 0.00 0.00 33.50 32.80 2diq n PRO 107 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2diq s SER 108 N -3.19 0.16 -0.12 3.54 1.04 -1.26 -5.16 113.70 108.71 2diq s SER 108 Ca 0.41 -1.24 0.03 0.00 0.48 0.00 0.00 55.95 55.62 2diq s SER 108 Cb -0.04 0.38 -0.00 0.00 0.10 0.00 0.00 66.02 66.46 2diq s SER 108 CO 0.31 -0.85 -0.21 -0.55 0.98 0.00 0.00 173.24 172.93 2diq s SER 109 N -3.09 3.32 0.00 7.02 0.15 -1.26 -5.36 113.70 114.48 2diq s SER 109 Ca 0.31 -0.52 0.31 0.00 0.70 0.00 0.00 55.95 56.76 2diq s SER 109 Cb 0.06 -1.47 1.79 0.00 -1.71 0.00 0.00 66.02 64.69 2diq s SER 109 CO 0.08 0.14 2.16 0.61 1.20 0.00 0.00 173.24 177.43