#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 6.48 -1.71 1.61 1.04 -1.26 -2.52 113.70 117.34 2diq s SER 2 Ca 0.00 2.77 -0.18 0.00 0.48 0.00 0.00 55.95 59.01 2diq s SER 2 Cb 0.00 -2.60 0.18 0.00 0.10 0.00 0.00 66.02 63.70 2diq s SER 2 CO 0.00 -0.89 0.46 -1.54 0.98 0.00 0.00 173.24 172.25 2diq n SER 3 N 3.59 -1.24 0.00 7.02 3.41 -1.26 -4.34 113.62 120.80 2diq n SER 3 Ca 0.13 -1.18 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 2diq n SER 3 Cb 0.37 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 2diq n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2diq n GLY 4 N -1.29 -0.74 3.63 5.00 0.00 -1.05 -4.96 105.19 105.80 2diq n GLY 4 Ca 0.04 -1.49 -0.06 0.00 0.00 0.00 0.00 46.02 44.50 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 -4.00 -0.97 -0.06 1.61 0.15 -1.26 -4.42 113.70 104.74 2diq s SER 5 Ca 0.00 1.52 0.04 0.00 0.70 0.00 0.00 55.95 58.20 2diq s SER 5 Cb 0.00 1.52 -0.02 0.00 -1.71 0.00 0.00 66.02 65.81 2diq s SER 5 CO 0.00 -0.24 -0.17 -0.55 1.20 0.00 0.00 173.24 173.49 2diq s SER 6 N 1.84 3.81 0.06 5.45 0.15 -1.26 -4.92 113.70 118.83 2diq s SER 6 Ca -0.09 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.27 2diq s SER 6 Cb -0.06 -0.92 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 2diq s SER 6 CO -0.20 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2diq n GLY 7 N 2.60 1.91 3.62 9.45 0.00 -1.26 -4.76 105.19 116.75 2diq n GLY 7 Ca -0.17 0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 2.79 0.13 1.61 3.52 -1.26 -5.11 118.95 120.63 2diq s ARG 8 Ca 0.00 -0.53 0.03 0.00 -0.13 0.00 0.00 55.73 55.10 2diq s ARG 8 Cb 0.00 -2.64 -0.04 0.00 -1.56 0.00 0.00 34.95 30.71 2diq s ARG 8 CO 0.00 0.67 0.16 -1.12 -0.81 0.00 0.00 175.30 174.19 2diq s SER 9 N -0.95 5.77 0.09 -2.12 0.01 -1.26 -5.00 113.70 110.23 2diq s SER 9 Ca 0.14 0.01 -0.22 0.00 1.31 0.00 0.00 55.95 57.18 2diq s SER 9 Cb -0.11 -1.60 -0.12 0.00 0.21 0.00 0.00 66.02 64.40 2diq s SER 9 CO 0.03 0.11 1.68 -0.07 0.41 0.00 0.00 173.24 175.39 2diq h LEU 10 N 2.69 0.11 -1.57 2.44 3.38 -1.99 -1.22 115.31 119.15 2diq h LEU 10 Ca -0.47 -0.09 0.17 0.00 0.09 0.00 0.00 57.88 57.58 2diq h LEU 10 Cb 1.18 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 2diq h LEU 10 CO 0.66 0.16 0.54 1.56 0.09 0.00 0.00 178.44 181.45 2diq h GLN 11 N 0.04 0.39 0.07 1.13 4.20 -1.99 -1.06 115.11 117.90 2diq h GLN 11 Ca 0.03 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2diq h GLN 11 Cb 0.08 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2diq h GLN 11 CO -0.00 0.26 -0.03 1.25 -0.67 0.00 0.00 178.83 179.63 2diq h LEU 12 N 0.40 -0.08 -0.99 1.46 5.85 -1.85 -2.79 115.31 117.30 2diq h LEU 12 Ca 0.40 0.00 0.33 0.00 0.84 0.00 0.00 57.88 59.45 2diq h LEU 12 Cb 0.98 0.02 -0.18 0.00 0.37 0.00 0.00 40.66 41.85 2diq h LEU 12 CO -0.13 0.04 0.23 -0.78 -0.34 0.00 0.00 178.44 177.45 2diq h ASP 13 N -0.29 -0.17 -0.48 1.25 3.58 -1.10 1.61 116.42 120.82 2diq h ASP 13 Ca -0.01 0.27 -0.05 0.00 0.42 0.00 0.00 57.03 57.66 2diq h ASP 13 Cb 0.07 0.40 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 2diq h ASP 13 CO 0.02 -0.38 0.12 0.50 -2.88 0.00 0.00 179.24 176.62 2diq h LYS 14 N 0.01 0.83 -0.20 0.28 3.11 -1.30 -2.38 116.57 116.92 2diq h LYS 14 Ca 0.69 -0.17 -0.16 0.00 -2.81 0.00 0.00 60.65 58.20 2diq h LYS 14 Cb 1.61 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 32.71 2diq h LYS 14 CO -0.86 0.75 -0.54 1.25 -2.81 0.00 0.00 179.45 177.24 2diq h LEU 15 N 0.80 0.63 -0.51 5.20 5.85 0.25 -2.75 115.31 124.78 2diq h LEU 15 Ca 0.17 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 2diq h LEU 15 Cb 0.30 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2diq h LEU 15 CO -0.00 1.05 0.24 0.58 -0.34 0.00 0.00 178.44 179.97 2diq h VAL 16 N 0.44 1.20 -0.12 1.05 2.07 -0.53 -2.05 116.25 118.30 2diq h VAL 16 Ca 0.01 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2diq h VAL 16 Cb 1.08 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2diq h VAL 16 CO 0.10 0.23 0.05 -1.13 0.02 0.00 0.00 177.57 176.84 2diq h ASN 17 N 0.69 0.17 -0.28 0.57 -0.73 -1.42 -1.63 115.58 112.94 2diq h ASN 17 Ca 0.18 -0.17 0.06 0.00 1.87 0.00 0.00 56.30 58.24 2diq h ASN 17 Cb 0.13 -0.04 -0.06 0.00 0.27 0.00 0.00 38.32 38.62 2diq h ASN 17 CO -0.02 0.29 -0.08 -0.33 -0.37 0.00 0.00 177.43 176.92 2diq h GLU 18 N 0.04 -0.02 0.55 6.67 4.39 -1.37 -1.53 114.58 123.31 2diq h GLU 18 Ca 0.04 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 2diq h GLU 18 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2diq h GLU 18 CO -0.00 -0.01 -0.30 0.52 -1.16 0.00 0.00 179.01 178.05 2diq h MET 19 N -0.02 -0.76 0.00 2.33 2.86 -1.28 -2.63 114.93 115.43 2diq h MET 19 Ca 0.14 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2diq h MET 19 Cb 0.23 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2diq h MET 19 CO -0.31 -0.50 0.00 2.41 1.06 0.00 0.00 176.91 179.57 2diq n THR 20 N -4.25 0.00 -0.27 2.22 -1.04 -0.62 0.14 114.28 110.46 2diq n THR 20 Ca -0.10 1.44 0.26 0.00 -2.04 0.00 0.00 64.05 63.61 2diq n THR 20 Cb 0.32 -2.00 0.48 0.00 -1.82 0.00 0.00 70.33 67.30 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 -2.64 -0.05 0.02 -2.82 1.13 -0.59 0.17 117.38 112.61 2diq n GLN 21 Ca 0.00 1.15 -0.01 0.00 -1.94 0.00 0.00 57.00 56.20 2diq n GLN 21 Cb 0.00 -2.06 -0.01 0.00 0.11 0.00 0.00 30.24 28.28 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 -0.07 0.55 1.08 2.76 -0.26 -3.27 115.15 115.94 2diq h HIS 22 Ca 0.70 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.85 2diq h HIS 22 Cb 1.82 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.79 2diq h HIS 22 CO -0.03 -0.04 -0.43 1.88 -1.30 0.00 0.00 177.93 178.00 2diq h TYR 23 N -0.17 -1.17 -0.96 5.26 0.05 0.11 -2.18 116.97 117.91 2diq h TYR 23 Ca -0.01 -0.00 0.33 0.00 0.05 0.00 0.00 58.73 59.10 2diq h TYR 23 Cb 0.06 0.44 -0.10 0.00 1.01 0.00 0.00 36.73 38.14 2diq h TYR 23 CO 0.07 -0.62 0.62 -0.85 -1.05 0.00 0.00 178.16 176.33 2diq n GLU 24 N -5.54 -0.03 -2.53 4.88 0.28 0.44 0.14 120.64 118.29 2diq n GLU 24 Ca -0.12 0.87 -0.34 0.00 -0.16 0.00 0.00 57.16 57.40 2diq n GLU 24 Cb 0.43 -1.72 0.01 0.00 1.43 0.00 0.00 31.44 31.59 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 -4.07 6.16 -3.42 -1.84 3.02 -0.82 -4.99 115.26 109.30 2diq n ASN 25 Ca 0.28 -3.73 -0.15 0.00 -0.03 0.00 0.00 54.58 50.95 2diq n ASN 25 Cb 1.09 -0.85 -0.05 0.00 -0.61 0.00 0.00 39.78 39.35 2diq n ASN 25 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2diq s SER 26 N -2.25 0.88 0.11 6.41 0.01 0.36 -4.96 113.70 114.26 2diq s SER 26 Ca 0.46 -1.47 0.01 0.00 1.31 0.00 0.00 55.95 56.26 2diq s SER 26 Cb 0.31 0.61 -0.04 0.00 0.21 0.00 0.00 66.02 67.12 2diq s SER 26 CO -0.21 -1.20 0.24 0.68 0.41 0.00 0.00 173.24 173.15 2diq s VAL 27 N -3.30 5.29 -0.30 3.43 -7.23 -1.26 -5.05 120.40 111.98 2diq s VAL 27 Ca 0.32 -0.57 -0.29 0.00 -1.81 0.00 0.00 61.98 59.64 2diq s VAL 27 Cb 0.01 -3.65 -0.02 0.00 0.56 0.00 0.00 36.38 33.28 2diq s VAL 27 CO 0.20 0.02 1.66 -2.16 -0.31 0.00 0.00 175.10 174.51 2diq s PRO 28 N -2.86 3.56 -0.08 4.82 0.04 -1.26 -4.99 135.00 134.23 2diq s PRO 28 Ca 0.34 1.45 -0.22 0.00 0.04 0.00 0.00 61.00 62.61 2diq s PRO 28 Cb -0.12 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.28 2diq s PRO 28 CO 0.28 -1.58 0.66 -1.21 0.04 0.00 0.00 177.00 175.19 2diq s GLU 29 N 5.14 4.42 -0.81 4.56 0.41 -1.26 -5.01 118.70 126.15 2diq s GLU 29 Ca 0.74 0.80 -0.21 0.00 -0.41 0.00 0.00 54.97 55.89 2diq s GLU 29 Cb -0.22 -3.45 0.09 0.00 -1.78 0.00 0.00 34.13 28.78 2diq s GLU 29 CO 0.32 0.08 1.08 -0.51 -0.49 0.00 0.00 175.26 175.73 2diq s ASP 30 N 0.77 6.40 0.12 -0.19 1.01 -1.26 -4.73 116.67 118.78 2diq s ASP 30 Ca 0.35 -1.49 0.11 0.00 0.71 0.00 0.00 52.55 52.23 2diq s ASP 30 Cb -0.17 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2diq s ASP 30 CO 0.17 -1.29 -0.27 -1.48 0.21 0.00 0.00 175.17 172.52 2diq s LEU 31 N 3.55 2.30 -0.47 1.23 2.34 -1.26 -5.10 118.68 121.27 2diq s LEU 31 Ca 0.29 -0.72 -0.23 0.00 0.06 0.00 0.00 54.13 53.52 2diq s LEU 31 Cb -0.10 -1.21 0.03 0.00 -0.56 0.00 0.00 46.19 44.35 2diq s LEU 31 CO -0.00 0.18 0.82 -0.89 -1.06 0.00 0.00 176.35 175.40 2diq s THR 32 N -1.03 4.59 0.02 5.48 2.01 -1.26 -5.03 115.64 120.42 2diq s THR 32 Ca 0.13 0.43 0.08 0.00 0.31 0.00 0.00 61.69 62.64 2diq s THR 32 Cb -0.10 -4.37 -0.03 0.00 0.01 0.00 0.00 72.50 68.01 2diq s THR 32 CO 0.05 -0.79 -0.23 0.54 -0.69 0.00 0.00 174.62 173.50 2diq s VAL 33 N 3.43 2.37 0.11 3.82 0.11 -1.26 -5.14 120.40 123.83 2diq s VAL 33 Ca 0.31 -1.22 0.06 0.00 -2.93 0.00 0.00 61.98 58.20 2diq s VAL 33 Cb -0.12 -1.92 -0.04 0.00 -1.53 0.00 0.00 36.38 32.77 2diq s VAL 33 CO 0.22 0.42 -0.16 -1.00 -3.33 0.00 0.00 175.10 171.26 2diq s HIS 34 N -0.79 1.45 -0.56 1.54 3.76 -1.26 -5.05 115.29 114.39 2diq s HIS 34 Ca 0.12 -0.50 -0.41 0.00 -0.15 0.00 0.00 55.06 54.13 2diq s HIS 34 Cb -0.10 -0.78 -0.18 0.00 1.11 0.00 0.00 32.58 32.63 2diq s HIS 34 CO 0.02 0.15 2.23 1.55 -0.85 0.00 0.00 174.74 177.84 2diq n VAL 35 N 0.82 0.02 0.00 -0.90 3.14 -1.26 -1.26 118.33 118.89 2diq n VAL 35 Ca -0.18 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 2diq n VAL 35 Cb 0.56 -0.67 0.00 0.00 -1.06 0.00 0.00 33.84 32.66 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 7.21 1.30 3.87 7.55 0.00 -0.04 -4.91 105.19 120.17 2diq n GLY 36 Ca 0.55 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.51 6.44 -0.11 1.61 1.11 -0.39 -4.84 116.67 119.99 2diq s ASP 37 Ca 0.00 1.35 -0.03 0.00 0.18 0.00 0.00 52.55 54.05 2diq s ASP 37 Cb 0.00 -2.42 -0.03 0.00 1.07 0.00 0.00 42.92 41.53 2diq s ASP 37 CO 0.00 -0.63 -0.00 -0.63 1.18 0.00 0.00 175.17 175.09 2diq s ILE 38 N -2.75 4.25 0.20 0.77 -1.09 -1.26 -2.22 121.20 119.10 2diq s ILE 38 Ca 0.55 -0.26 -0.18 0.00 -2.23 0.00 0.00 60.65 58.52 2diq s ILE 38 Cb -0.10 -2.81 0.03 0.00 -1.58 0.00 0.00 42.46 38.00 2diq s ILE 38 CO 0.40 0.57 0.55 0.68 -1.23 0.00 0.00 174.94 175.91 2diq s VAL 39 N -0.52 0.02 0.08 2.92 -7.23 -1.07 -4.37 120.40 110.23 2diq s VAL 39 Ca 0.09 -0.72 -0.09 0.00 -1.81 0.00 0.00 61.98 59.45 2diq s VAL 39 Cb -0.12 -1.56 -0.06 0.00 0.56 0.00 0.00 36.38 35.20 2diq s VAL 39 CO 0.02 -0.09 0.39 0.00 -0.31 0.00 0.00 175.10 175.11 2diq s ALA 40 N -3.87 3.74 -0.10 1.32 0.00 0.64 -1.84 121.76 121.65 2diq s ALA 40 Ca 0.09 -0.42 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 2diq s ALA 40 Cb -0.01 -2.24 0.03 0.00 0.00 0.00 0.00 23.12 20.90 2diq s ALA 40 CO -0.03 0.59 0.30 0.00 0.00 0.00 0.00 175.76 176.62 2diq s ALA 41 N -1.44 -0.74 0.89 0.00 0.00 -0.88 -0.99 121.76 118.60 2diq s ALA 41 Ca 0.34 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 2diq s ALA 41 Cb -0.14 -0.43 0.13 0.00 0.00 0.00 0.00 23.12 22.69 2diq s ALA 41 CO 0.19 -0.16 1.09 -1.25 0.00 0.00 0.00 175.76 175.63 2diq s PRO 42 N -0.03 1.29 -0.18 0.00 0.04 -1.26 -0.16 135.00 134.71 2diq s PRO 42 Ca -0.02 0.83 0.01 0.00 0.04 0.00 0.00 61.00 61.86 2diq s PRO 42 Cb -0.03 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.72 2diq s PRO 42 CO 0.01 -2.22 -0.19 -1.17 0.04 0.00 0.00 177.00 173.47 2diq s LEU 43 N -6.21 2.18 0.34 -3.56 2.96 0.19 -4.83 118.68 109.75 2diq s LEU 43 Ca 0.63 -0.63 0.27 0.00 -0.22 0.00 0.00 54.13 54.18 2diq s LEU 43 Cb -0.18 -1.49 1.11 0.00 0.50 0.00 0.00 46.19 46.12 2diq s LEU 43 CO 0.57 0.00 1.79 1.55 -1.32 0.00 0.00 176.35 178.95 2diq h PRO 44 N 7.91 0.00 0.02 0.98 0.13 -1.96 1.35 132.00 140.43 2diq h PRO 44 Ca -0.45 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.33 2diq h PRO 44 Cb 1.14 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 2diq h PRO 44 CO 0.63 0.00 -1.97 0.25 -0.23 0.00 0.00 178.00 176.68 2diq n THR 45 N -2.48 1.56 -0.01 1.56 -2.24 -1.26 -4.64 114.28 106.76 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 0.25 -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 -0.32 3.42 5.15 -1.21 -5.03 115.26 115.23 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 39.24 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 1.96 0.74 3.40 8.20 0.00 0.46 -5.00 105.19 114.95 2diq n GLY 47 Ca -0.33 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.18 -0.22 0.12 1.61 0.01 -1.23 -4.81 113.70 107.01 2diq s SER 48 Ca 0.00 -0.43 -0.23 0.00 1.31 0.00 0.00 55.95 56.59 2diq s SER 48 Cb 0.00 0.51 -0.07 0.00 0.21 0.00 0.00 66.02 66.67 2diq s SER 48 CO 0.00 -0.94 0.71 0.26 0.41 0.00 0.00 173.24 173.68 2diq s TRP 49 N -3.85 3.86 0.02 2.43 0.52 -1.26 0.54 118.94 121.20 2diq s TRP 49 Ca 0.07 1.50 0.01 0.00 0.02 0.00 0.00 56.10 57.69 2diq s TRP 49 Cb 0.01 -2.68 -0.02 0.00 -1.15 0.00 0.00 33.47 29.63 2diq s TRP 49 CO -0.07 0.51 -0.04 0.71 0.02 0.00 0.00 176.95 178.08 2diq s TYR 50 N -1.01 0.31 -0.37 -1.98 1.51 0.78 -4.53 117.35 112.06 2diq s TYR 50 Ca 0.34 -0.41 -0.28 0.00 -1.01 0.00 0.00 57.07 55.70 2diq s TYR 50 Cb -0.22 -0.21 -0.01 0.00 -0.11 0.00 0.00 41.96 41.42 2diq s TYR 50 CO 0.23 -0.13 1.67 1.03 -1.11 0.00 0.00 175.55 177.25 2diq s ARG 51 N -1.17 3.38 0.22 -0.62 0.52 -1.26 -2.08 118.95 117.94 2diq s ARG 51 Ca -0.11 1.22 0.11 0.00 -0.52 0.00 0.00 55.73 56.43 2diq s ARG 51 Cb -0.08 -4.15 -0.05 0.00 0.52 0.00 0.00 34.95 31.19 2diq s ARG 51 CO -0.01 -1.81 -0.21 0.00 0.02 0.00 0.00 175.30 173.29 2diq s ALA 52 N 6.52 2.53 -0.18 2.13 0.00 -0.77 -2.01 121.76 129.99 2diq s ALA 52 Ca 0.73 -1.71 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 2diq s ALA 52 Cb -0.19 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 2diq s ALA 52 CO 0.33 0.34 -0.01 0.50 0.00 0.00 0.00 175.76 176.91 2diq s ARG 53 N -3.04 3.67 0.25 0.00 3.52 0.20 -2.59 118.95 120.96 2diq s ARG 53 Ca 0.24 -0.50 -0.30 0.00 -0.13 0.00 0.00 55.73 55.03 2diq s ARG 53 Cb -0.06 -3.02 -0.10 0.00 -1.56 0.00 0.00 34.95 30.21 2diq s ARG 53 CO 0.11 0.13 1.39 0.08 -0.81 0.00 0.00 175.30 176.21 2diq s VAL 54 N 0.68 2.79 -0.08 7.11 1.01 -0.94 0.18 120.40 131.14 2diq s VAL 54 Ca -0.01 0.67 0.03 0.00 0.00 0.00 0.00 61.98 62.68 2diq s VAL 54 Cb -0.14 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2diq s VAL 54 CO 0.02 0.11 0.11 0.18 0.00 0.00 0.00 175.10 175.52 2diq n LEU 55 N 2.21 0.08 0.00 3.92 4.77 0.21 -0.86 117.00 127.32 2diq n LEU 55 Ca 0.06 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2diq n LEU 55 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2diq n LEU 55 CO 0.60 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2diq n GLY 56 N 1.69 -0.14 3.20 -0.72 0.00 -1.25 -4.69 105.19 103.28 2diq n GLY 56 Ca 0.00 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.41 1.25 0.47 2.61 2.01 -1.26 -3.35 115.64 113.96 2diq s THR 57 Ca 0.00 -1.36 0.02 0.00 0.31 0.00 0.00 61.69 60.66 2diq s THR 57 Cb 0.00 -1.19 0.01 0.00 0.01 0.00 0.00 72.50 71.34 2diq s THR 57 CO 0.00 -0.18 0.68 -0.76 -0.69 0.00 0.00 174.62 173.66 2diq s LEU 58 N -1.77 3.55 0.37 4.42 1.43 0.88 -4.79 118.68 122.76 2diq s LEU 58 Ca -0.00 0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.23 2diq s LEU 58 Cb -0.10 -2.95 0.71 0.00 0.03 0.00 0.00 46.19 43.88 2diq s LEU 58 CO 0.03 -0.84 1.88 -0.33 0.23 0.00 0.00 176.35 177.32 2diq h GLU 59 N 0.36 0.29 0.07 1.70 4.39 -2.02 -2.78 114.58 116.59 2diq h GLU 59 Ca -0.44 -0.07 -0.26 0.00 0.34 0.00 0.00 59.36 58.93 2diq h GLU 59 Cb 1.27 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.90 2diq h GLU 59 CO 0.54 0.44 -1.11 -2.95 -1.16 0.00 0.00 179.01 174.76 2diq h ASN 60 N 0.27 0.59 0.00 1.42 7.08 -2.06 -3.48 115.58 119.40 2diq h ASN 60 Ca 0.05 -0.53 0.00 0.00 -3.08 0.00 0.00 56.30 52.74 2diq h ASN 60 Cb 0.42 -0.18 0.00 0.00 -2.08 0.00 0.00 38.32 36.48 2diq h ASN 60 CO 0.03 1.36 0.00 0.61 -2.08 0.00 0.00 177.43 177.35 2diq n GLY 61 N 1.23 3.44 3.30 9.14 0.00 -1.05 -5.14 105.19 116.11 2diq n GLY 61 Ca -0.09 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.29 -4.50 1.61 4.13 -1.26 -4.32 115.26 108.63 2diq n ASN 62 Ca 0.00 -0.10 -0.34 0.00 1.68 0.00 0.00 54.58 55.82 2diq n ASN 62 Cb 0.00 -1.00 -0.12 0.00 -1.54 0.00 0.00 39.78 37.12 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 -1.89 3.25 -0.48 3.41 1.43 -0.43 -0.08 118.68 123.88 2diq s LEU 63 Ca 0.57 -0.13 -0.28 0.00 -1.03 0.00 0.00 54.13 53.27 2diq s LEU 63 Cb -0.14 -1.78 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 2diq s LEU 63 CO 0.66 0.17 1.63 -0.62 0.23 0.00 0.00 176.35 178.43 2diq s ASP 64 N 0.34 5.88 0.10 2.29 2.15 -1.21 -2.89 116.67 123.33 2diq s ASP 64 Ca -0.04 0.67 0.01 0.00 0.43 0.00 0.00 52.55 53.62 2diq s ASP 64 Cb -0.14 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.91 2diq s ASP 64 CO 0.03 -1.83 0.25 -0.76 -0.17 0.00 0.00 175.17 172.69 2diq s LEU 65 N 6.94 4.35 -0.29 -1.34 1.43 0.57 0.65 118.68 131.00 2diq s LEU 65 Ca 0.65 0.23 0.03 0.00 -1.03 0.00 0.00 54.13 54.01 2diq s LEU 65 Cb -0.15 -2.94 0.07 0.00 0.03 0.00 0.00 46.19 43.20 2diq s LEU 65 CO 0.28 0.11 -0.05 -0.47 0.23 0.00 0.00 176.35 176.45 2diq s TYR 66 N -1.62 3.33 -0.58 0.29 5.04 0.47 -0.05 117.35 124.23 2diq s TYR 66 Ca 0.35 -2.49 -0.27 0.00 -2.44 0.00 0.00 57.07 52.22 2diq s TYR 66 Cb -0.12 -2.22 -0.10 0.00 0.35 0.00 0.00 41.96 39.87 2diq s TYR 66 CO 0.28 -0.89 2.46 1.19 -1.34 0.00 0.00 175.55 177.24 2diq n PHE 67 N 4.40 1.28 0.66 4.97 3.01 -0.76 0.59 117.46 131.62 2diq n PHE 67 Ca -0.08 0.15 0.11 0.00 1.01 0.00 0.00 57.45 58.64 2diq n PHE 67 Cb 0.42 -2.58 0.45 0.00 -0.01 0.00 0.00 39.48 37.76 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 7.96 0.59 -0.05 -4.37 0.24 -0.85 0.94 118.33 122.79 2diq n VAL 68 Ca 0.42 0.09 -0.11 0.00 -2.04 0.00 0.00 64.34 62.71 2diq n VAL 68 Cb 0.47 -0.81 -0.15 0.00 -1.47 0.00 0.00 33.84 31.89 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 -1.72 0.76 -0.07 -1.34 8.00 -1.25 0.11 116.55 121.04 2diq n ASP 69 Ca 0.05 0.23 -0.14 0.00 0.71 0.00 0.00 54.79 55.64 2diq n ASP 69 Cb 0.27 0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 41.52 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 -3.00 0.00 0.00 1.24 3.01 -1.15 -3.29 117.46 114.28 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 1.08 -0.52 0.00 0.00 -0.01 0.00 0.00 39.48 40.04 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 1.99 2.83 1.62 1.37 0.00 0.27 -4.71 105.19 108.55 2diq n GLY 71 Ca -0.25 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.00 -4.17 1.61 8.00 -1.26 -4.56 116.55 113.17 2diq n ASP 72 Ca 0.00 -0.42 -0.27 0.00 0.71 0.00 0.00 54.79 54.81 2diq n ASP 72 Cb 0.00 -0.50 -0.16 0.00 -0.02 0.00 0.00 41.12 40.45 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 -2.46 2.28 0.48 -2.24 -0.87 -1.26 -1.83 114.94 109.03 2diq s ASN 73 Ca 0.32 -0.36 0.03 0.00 -1.57 0.00 0.00 52.86 51.27 2diq s ASN 73 Cb -0.06 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.25 40.70 2diq s ASN 73 CO 0.27 0.20 0.02 -0.83 -2.57 0.00 0.00 177.10 174.19 2diq s GLY 74 N -0.22 2.86 -0.21 0.66 0.00 0.93 -4.95 107.32 106.40 2diq s GLY 74 Ca 0.02 -0.85 -0.11 0.00 0.00 0.00 0.00 44.72 43.77 2diq s GLY 74 CO 0.01 -2.13 0.50 0.51 0.00 0.00 0.00 173.10 171.99 2diq s ASP 75 N -3.80 -0.65 -0.03 1.64 -4.77 -1.26 -0.31 116.67 107.47 2diq s ASP 75 Ca 0.14 1.10 -0.29 0.00 -3.30 0.00 0.00 52.55 50.19 2diq s ASP 75 Cb 0.03 0.99 0.09 0.00 -1.09 0.00 0.00 42.92 42.94 2diq s ASP 75 CO 0.07 -0.21 0.76 0.00 0.70 0.00 0.00 175.17 176.50 2diq s PRO 77 N -1.83 4.27 0.32 0.00 0.04 -1.26 -1.31 135.00 135.23 2diq s PRO 77 Ca -0.05 1.98 0.08 0.00 0.04 0.00 0.00 61.00 63.05 2diq s PRO 77 Cb -0.00 -2.92 0.93 0.00 0.04 0.00 0.00 34.50 32.55 2diq s PRO 77 CO 0.02 -0.18 1.59 1.25 0.04 0.00 0.00 177.00 179.72 2diq h LEU 78 N 3.12 -0.13 -1.11 -3.56 6.46 -1.94 1.17 115.31 119.33 2diq h LEU 78 Ca -0.48 0.26 0.13 0.00 -0.12 0.00 0.00 57.88 57.67 2diq h LEU 78 Cb 1.23 0.38 -0.08 0.00 -0.73 0.00 0.00 40.66 41.45 2diq h LEU 78 CO 0.64 -0.34 0.61 0.07 -0.62 0.00 0.00 178.44 178.80 2diq h LYS 79 N 0.05 0.85 -0.13 1.25 5.09 -1.91 0.49 116.57 122.26 2diq h LYS 79 Ca 0.67 -0.05 0.00 0.00 0.09 0.00 0.00 60.65 61.36 2diq h LYS 79 Cb 1.53 -0.19 0.00 0.00 0.10 0.00 0.00 32.23 33.67 2diq h LYS 79 CO -0.83 0.56 0.00 -0.25 -2.09 0.00 0.00 179.45 176.84 2diq n ASP 80 N -4.61 0.61 -4.68 7.07 8.00 0.40 -4.44 116.55 118.90 2diq n ASP 80 Ca 0.19 -2.00 -0.26 0.00 0.71 0.00 0.00 54.79 53.42 2diq n ASP 80 Cb 0.41 -0.08 -0.07 0.00 -0.02 0.00 0.00 41.12 41.35 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 -0.98 3.38 -0.03 0.64 1.43 0.17 -4.03 118.68 119.26 2diq s LEU 81 Ca 0.07 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 2diq s LEU 81 Cb 0.04 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.26 2diq s LEU 81 CO 0.05 0.08 0.00 -0.13 0.23 0.00 0.00 176.35 176.58 2diq s ARG 82 N -2.99 0.25 -0.46 1.70 1.81 -0.16 -4.28 118.95 114.83 2diq s ARG 82 Ca 0.28 0.07 -0.27 0.00 -1.72 0.00 0.00 55.73 54.10 2diq s ARG 82 Cb -0.09 -0.43 -0.07 0.00 -0.45 0.00 0.00 34.95 33.90 2diq s ARG 82 CO 0.19 -0.12 2.39 0.00 -0.68 0.00 0.00 175.30 177.08 2diq n ALA 83 N 4.05 0.94 -1.09 2.13 0.00 -1.26 -0.26 120.51 125.01 2diq n ALA 83 Ca -0.26 -0.79 -0.35 0.00 0.00 0.00 0.00 53.44 52.03 2diq n ALA 83 Cb 0.51 -3.12 -0.00 0.00 0.00 0.00 0.00 19.45 16.83 2diq n ALA 83 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2diq n LEU 84 N 14.98 -2.33 -4.84 0.00 7.94 -1.26 -4.86 117.00 126.64 2diq n LEU 84 Ca 0.37 0.70 -0.35 0.00 -1.11 0.00 0.00 56.01 55.62 2diq n LEU 84 Cb 0.51 -0.74 -0.06 0.00 0.53 0.00 0.00 43.42 43.66 2diq n LEU 84 CO 0.71 -3.46 0.33 -0.60 -1.11 0.00 0.00 177.39 173.26 2diq s ARG 85 N -0.84 4.06 0.40 1.96 3.52 -1.26 -4.96 118.95 121.83 2diq s ARG 85 Ca 0.50 0.63 0.17 0.00 -0.13 0.00 0.00 55.73 56.89 2diq s ARG 85 Cb -0.55 -2.79 1.05 0.00 -1.56 0.00 0.00 34.95 31.10 2diq s ARG 85 CO 0.52 0.38 1.83 0.77 -0.81 0.00 0.00 175.30 177.99 2diq h SER 86 N 3.17 0.45 -0.54 -2.12 0.02 -1.99 0.14 113.55 112.68 2diq h SER 86 Ca -0.48 0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.41 2diq h SER 86 Cb 1.19 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 2diq h SER 86 CO 0.66 0.17 -0.10 0.44 -1.14 0.00 0.00 176.83 176.85 2diq h ASP 87 N 0.44 1.03 0.31 3.07 5.19 -2.02 -2.20 116.42 122.24 2diq h ASP 87 Ca 0.50 -0.34 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 2diq h ASP 87 Cb 1.20 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.43 2diq h ASP 87 CO -0.21 1.14 0.00 0.49 -3.12 0.00 0.00 179.24 177.53 2diq n PHE 88 N -4.15 0.00 0.24 4.55 3.72 0.44 -2.27 117.46 120.00 2diq n PHE 88 Ca 0.02 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.52 2diq n PHE 88 Cb 0.40 -0.23 -0.14 0.00 -0.94 0.00 0.00 39.48 38.57 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 -1.23 0.28 0.20 4.37 4.77 -0.85 -4.26 117.00 120.28 2diq n LEU 89 Ca 0.11 -0.09 0.18 0.00 -0.03 0.00 0.00 56.01 56.18 2diq n LEU 89 Cb 0.14 -0.01 0.80 0.00 -2.33 0.00 0.00 43.42 42.02 2diq n LEU 89 CO 0.15 0.05 1.16 -1.28 -1.33 0.00 0.00 177.39 176.13 2diq h SER 90 N 0.00 0.00 -3.21 -1.43 0.87 -1.23 -3.40 113.55 105.15 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 0.88 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.78 2diq h SER 90 CO 0.00 0.00 -0.13 -0.22 -0.53 0.00 0.00 176.83 175.95 2diq s LEU 91 N -6.91 4.40 0.72 2.23 0.20 -1.26 -5.07 118.68 112.99 2diq s LEU 91 Ca -0.04 0.98 -0.13 0.00 0.69 0.00 0.00 54.13 55.64 2diq s LEU 91 Cb 0.13 -2.72 0.03 0.00 -0.43 0.00 0.00 46.19 43.20 2diq s LEU 91 CO 0.46 0.17 1.10 -2.16 -0.29 0.00 0.00 176.35 175.62 2diq s PRO 92 N -0.32 2.51 -0.35 0.98 0.04 -1.26 -4.92 135.00 131.67 2diq s PRO 92 Ca 0.26 1.27 -0.28 0.00 0.04 0.00 0.00 61.00 62.30 2diq s PRO 92 Cb -0.17 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 2diq s PRO 92 CO 0.14 -1.46 1.88 -0.06 0.04 0.00 0.00 177.00 177.54 2diq s PHE 93 N -2.63 1.68 0.10 0.56 0.08 -1.26 -4.88 117.98 111.63 2diq s PHE 93 Ca 0.64 0.67 -0.25 0.00 0.12 0.00 0.00 56.93 58.11 2diq s PHE 93 Cb -0.19 -4.08 -0.12 0.00 -0.57 0.00 0.00 43.02 38.07 2diq s PHE 93 CO 0.49 -3.01 1.69 1.96 -0.10 0.00 0.00 175.22 176.25 2diq h GLN 94 N 13.64 -0.24 -5.48 0.44 1.08 -1.77 -3.38 115.11 119.40 2diq h GLN 94 Ca -0.33 0.02 -0.65 0.00 -1.45 0.00 0.00 58.65 56.24 2diq h GLN 94 Cb 1.18 0.06 -0.15 0.00 -0.05 0.00 0.00 27.48 28.52 2diq h GLN 94 CO 1.05 -0.16 0.24 0.00 -0.95 0.00 0.00 178.83 179.00 2diq s ALA 95 N -6.15 3.31 -0.01 3.87 0.00 0.30 -4.96 121.76 118.12 2diq s ALA 95 Ca -0.14 -1.29 -0.01 0.00 0.00 0.00 0.00 51.96 50.52 2diq s ALA 95 Cb 0.07 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2diq s ALA 95 CO 0.66 -1.98 0.12 0.42 0.00 0.00 0.00 175.76 174.98 2diq s ILE 96 N 3.09 5.03 0.04 0.00 -1.09 -1.26 -4.49 121.20 122.52 2diq s ILE 96 Ca 0.24 -0.31 -0.21 0.00 -2.23 0.00 0.00 60.65 58.15 2diq s ILE 96 Cb -0.14 -3.32 0.04 0.00 -1.58 0.00 0.00 42.46 37.46 2diq s ILE 96 CO 0.18 0.34 0.47 -0.70 -1.23 0.00 0.00 174.94 174.00 2diq s GLU 97 N -1.83 0.98 0.06 2.79 2.12 -1.26 -5.09 118.70 116.47 2diq s GLU 97 Ca 0.25 -0.28 -0.28 0.00 0.36 0.00 0.00 54.97 55.02 2diq s GLU 97 Cb -0.12 0.44 -0.15 0.00 0.26 0.00 0.00 34.13 34.56 2diq s GLU 97 CO 0.16 -0.34 0.67 0.00 -0.54 0.00 0.00 175.26 175.21 2diq s SER 99 N -0.29 -0.78 0.87 0.00 0.01 -1.26 -5.16 113.70 107.10 2diq s SER 99 Ca 0.63 1.20 -0.15 0.00 1.31 0.00 0.00 55.95 58.94 2diq s SER 99 Cb -0.89 1.44 -0.05 0.00 0.21 0.00 0.00 66.02 66.74 2diq s SER 99 CO 0.44 -0.19 0.05 0.18 0.41 0.00 0.00 173.24 174.13 2diq n LEU 100 N 4.26 -1.88 -4.71 2.44 4.77 -1.26 -4.93 117.00 115.69 2diq n LEU 100 Ca -0.18 0.38 -0.38 0.00 -0.03 0.00 0.00 56.01 55.80 2diq n LEU 100 Cb 0.57 -1.05 -0.06 0.00 -2.33 0.00 0.00 43.42 40.54 2diq n LEU 100 CO -0.01 -4.28 0.20 0.00 -1.33 0.00 0.00 177.39 171.97 2diq s ALA 101 N -2.13 3.48 0.08 -1.18 0.00 -1.26 -5.02 121.76 115.73 2diq s ALA 101 Ca 0.54 -0.20 -0.32 0.00 0.00 0.00 0.00 51.96 51.98 2diq s ALA 101 Cb -0.26 -2.69 -0.11 0.00 0.00 0.00 0.00 23.12 20.05 2diq s ALA 101 CO 0.69 -0.08 1.82 -2.13 0.00 0.00 0.00 175.76 176.06 2diq n ARG 102 N 3.86 2.56 -3.55 0.00 0.63 -1.26 -4.94 116.66 113.96 2diq n ARG 102 Ca -0.06 0.93 -0.41 0.00 -0.92 0.00 0.00 57.85 57.39 2diq n ARG 102 Cb 0.51 -2.80 -0.07 0.00 0.45 0.00 0.00 32.46 30.55 2diq n ARG 102 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2diq s ILE 103 N 2.87 4.40 -0.28 5.15 -1.09 -1.26 -5.01 121.20 125.99 2diq s ILE 103 Ca 0.84 -2.27 -0.26 0.00 -2.23 0.00 0.00 60.65 56.74 2diq s ILE 103 Cb -0.56 -3.84 0.16 0.00 -1.58 0.00 0.00 42.46 36.64 2diq s ILE 103 CO 0.41 -0.86 1.25 0.00 -1.23 0.00 0.00 174.94 174.51 2diq s ALA 104 N 0.69 -2.10 -0.74 9.38 0.00 -1.26 -5.08 121.76 122.64 2diq s ALA 104 Ca 0.12 1.76 -0.24 0.00 0.00 0.00 0.00 51.96 53.59 2diq s ALA 104 Cb -0.21 -1.55 -0.15 0.00 0.00 0.00 0.00 23.12 21.22 2diq s ALA 104 CO -0.03 -0.18 2.40 0.45 0.00 0.00 0.00 175.76 178.40 2diq n SER 105 N 1.65 1.54 0.00 0.00 2.88 -1.26 -4.72 113.62 113.71 2diq n SER 105 Ca -0.10 -1.07 0.00 0.00 -1.33 0.00 0.00 58.87 56.36 2diq n SER 105 Cb 0.57 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2diq n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2diq n GLY 106 N 6.46 0.41 3.73 0.46 0.00 -1.26 -4.28 105.19 110.71 2diq n GLY 106 Ca 0.47 0.37 -0.42 0.00 0.00 0.00 0.00 46.02 46.45 2diq n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2diq s PRO 107 N 0.00 4.36 0.00 1.61 0.04 -1.26 -4.91 135.00 134.84 2diq s PRO 107 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2diq s PRO 107 Cb 0.00 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2diq s PRO 107 CO 0.00 -0.33 0.00 -1.13 0.04 0.00 0.00 177.00 175.58 2diq n SER 108 N 3.29 0.20 -4.60 6.66 3.41 -1.26 -5.00 113.62 116.32 2diq n SER 108 Ca 0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.27 2diq n SER 108 Cb 0.43 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 2diq n SER 108 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2diq s SER 109 N -4.91 6.65 0.00 4.04 0.01 -1.26 -5.16 113.70 113.06 2diq s SER 109 Ca 0.00 0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.74 2diq s SER 109 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2diq s SER 109 CO 0.00 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 173.15