#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 0.66 -4.80 1.61 2.88 -1.26 -5.06 113.62 107.65 2diq n SER 2 Ca 0.00 0.20 -0.39 0.00 -1.33 0.00 0.00 58.87 57.36 2diq n SER 2 Cb 0.00 -0.11 -0.06 0.00 -0.75 0.00 0.00 64.21 63.29 2diq n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2diq s SER 3 N -5.63 7.18 0.01 -3.46 0.01 -1.26 -4.79 113.70 105.77 2diq s SER 3 Ca 0.00 1.40 0.00 0.00 1.31 0.00 0.00 55.95 58.66 2diq s SER 3 Cb 0.00 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2diq s SER 3 CO 0.00 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2diq n GLY 4 N 1.70 -0.24 0.16 3.44 0.00 -1.26 -5.03 105.19 103.95 2diq n GLY 4 Ca -0.08 0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2diq n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2diq n SER 5 N -2.17 1.79 -4.72 1.61 7.64 -1.26 -4.96 113.62 111.56 2diq n SER 5 Ca 0.00 0.30 -0.42 0.00 1.01 0.00 0.00 58.87 59.76 2diq n SER 5 Cb 0.00 -0.70 -0.03 0.00 -1.01 0.00 0.00 64.21 62.47 2diq n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2diq s SER 6 N -5.83 7.27 0.00 6.43 0.01 -1.26 -4.68 113.70 115.64 2diq s SER 6 Ca -0.26 1.87 0.00 0.00 1.31 0.00 0.00 55.95 58.87 2diq s SER 6 Cb 0.04 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2diq s SER 6 CO 0.38 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.34 2diq n GLY 7 N 2.79 -1.82 2.88 3.44 0.00 -1.26 -4.91 105.19 106.30 2diq n GLY 7 Ca 0.06 0.64 -0.15 0.00 0.00 0.00 0.00 46.02 46.57 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 0.06 -0.08 1.61 3.52 -1.26 -5.14 118.95 117.66 2diq s ARG 8 Ca 0.00 0.43 -0.23 0.00 -0.13 0.00 0.00 55.73 55.81 2diq s ARG 8 Cb 0.00 -0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 33.13 2diq s ARG 8 CO 0.00 -0.22 0.66 -1.12 -0.81 0.00 0.00 175.30 173.81 2diq s SER 9 N 1.60 6.93 0.27 -2.12 0.01 -1.26 -4.96 113.70 114.16 2diq s SER 9 Ca -0.04 1.12 -0.03 0.00 1.31 0.00 0.00 55.95 58.30 2diq s SER 9 Cb -0.12 -2.39 0.56 0.00 0.21 0.00 0.00 66.02 64.28 2diq s SER 9 CO -0.06 -0.11 1.63 -0.07 0.41 0.00 0.00 173.24 175.05 2diq h LEU 10 N 6.83 -0.27 -1.15 2.44 3.38 -2.00 0.53 115.31 125.07 2diq h LEU 10 Ca -0.40 0.21 0.20 0.00 0.09 0.00 0.00 57.88 57.97 2diq h LEU 10 Cb 1.19 0.34 -0.10 0.00 0.09 0.00 0.00 40.66 42.19 2diq h LEU 10 CO 0.76 -0.19 0.62 1.56 0.09 0.00 0.00 178.44 181.27 2diq h GLN 11 N 0.12 0.63 0.11 1.13 4.20 -1.98 0.28 115.11 119.61 2diq h GLN 11 Ca 0.48 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.14 2diq h GLN 11 Cb 0.90 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2diq h GLN 11 CO -0.70 0.42 -0.05 1.25 -0.67 0.00 0.00 178.83 179.08 2diq h LEU 12 N 0.65 -0.13 -0.97 1.46 5.85 -0.36 -2.09 115.31 119.72 2diq h LEU 12 Ca 0.56 0.00 0.29 0.00 0.84 0.00 0.00 57.88 59.57 2diq h LEU 12 Cb 1.02 0.03 -0.14 0.00 0.37 0.00 0.00 40.66 41.93 2diq h LEU 12 CO -0.33 0.02 0.49 -0.78 -0.34 0.00 0.00 178.44 177.50 2diq h ASP 13 N -0.37 0.41 -0.45 1.25 3.58 -1.17 0.46 116.42 120.12 2diq h ASP 13 Ca -0.02 0.19 -0.07 0.00 0.42 0.00 0.00 57.03 57.55 2diq h ASP 13 Cb 0.12 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 2diq h ASP 13 CO 0.03 -0.11 0.02 0.50 -2.88 0.00 0.00 179.24 176.80 2diq h LYS 14 N 0.33 0.79 -0.54 0.28 3.11 -0.54 -2.49 116.57 117.51 2diq h LYS 14 Ca 0.68 -0.24 -0.10 0.00 -2.81 0.00 0.00 60.65 58.18 2diq h LYS 14 Cb 1.48 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 32.61 2diq h LYS 14 CO -0.60 0.84 -0.06 1.25 -2.81 0.00 0.00 179.45 178.06 2diq h LEU 15 N 0.64 0.95 -0.30 5.20 5.85 0.48 -2.45 115.31 125.68 2diq h LEU 15 Ca 0.13 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.57 2diq h LEU 15 Cb 0.47 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2diq h LEU 15 CO 0.02 1.05 0.18 0.58 -0.34 0.00 0.00 178.44 179.92 2diq h VAL 16 N 0.87 1.04 0.15 1.05 2.07 -0.49 -2.15 116.25 118.80 2diq h VAL 16 Ca 0.15 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2diq h VAL 16 Cb 0.60 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2diq h VAL 16 CO 0.04 0.07 -0.07 -1.13 0.02 0.00 0.00 177.57 176.49 2diq h ASN 17 N 0.37 -0.18 -0.53 0.57 -0.73 -1.35 -2.30 115.58 111.43 2diq h ASN 17 Ca 0.12 -0.04 0.11 0.00 1.87 0.00 0.00 56.30 58.35 2diq h ASN 17 Cb -0.01 0.05 -0.10 0.00 0.27 0.00 0.00 38.32 38.52 2diq h ASN 17 CO -0.05 -0.08 -0.17 -0.33 -0.37 0.00 0.00 177.43 176.43 2diq h GLU 18 N -0.26 -0.04 0.27 6.67 5.08 -1.29 -0.32 114.58 124.68 2diq h GLU 18 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2diq h GLU 18 Cb 0.20 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2diq h GLU 18 CO 0.03 -0.03 -0.22 0.52 -1.00 0.00 0.00 179.01 178.31 2diq h MET 19 N -0.05 -0.46 0.00 2.33 2.86 -1.24 -2.61 114.93 115.76 2diq h MET 19 Ca 0.25 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2diq h MET 19 Cb 0.44 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2diq h MET 19 CO -0.57 -0.31 0.00 2.41 1.06 0.00 0.00 176.91 179.50 2diq n THR 20 N -3.69 0.00 -0.35 2.22 -1.04 -0.88 -0.04 114.28 110.49 2diq n THR 20 Ca -0.06 1.42 0.29 0.00 -2.04 0.00 0.00 64.05 63.66 2diq n THR 20 Cb 0.21 -2.07 0.48 0.00 -1.82 0.00 0.00 70.33 67.13 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 -2.40 -0.02 -0.03 -2.82 1.13 -0.16 0.13 117.38 113.22 2diq n GLN 21 Ca 0.00 0.82 -0.00 0.00 -1.94 0.00 0.00 57.00 55.88 2diq n GLN 21 Cb 0.00 -1.67 -0.00 0.00 0.11 0.00 0.00 30.24 28.68 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 0.40 1.08 2.76 -0.45 -3.36 115.15 115.58 2diq h HIS 22 Ca 0.60 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.76 2diq h HIS 22 Cb 2.05 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 31.01 2diq h HIS 22 CO -0.00 0.00 -0.26 1.88 -1.30 0.00 0.00 177.93 178.25 2diq h TYR 23 N -0.49 -0.68 -1.11 5.26 0.05 0.25 -2.34 116.97 117.91 2diq h TYR 23 Ca 0.00 -0.01 0.36 0.00 0.05 0.00 0.00 58.73 59.13 2diq h TYR 23 Cb 0.03 0.25 -0.08 0.00 1.01 0.00 0.00 36.73 37.93 2diq h TYR 23 CO -0.01 -0.40 0.75 -0.85 -1.05 0.00 0.00 178.16 176.60 2diq n GLU 24 N -5.39 -0.02 -2.21 4.88 0.28 0.36 0.23 120.64 118.78 2diq n GLU 24 Ca -0.10 0.84 -0.32 0.00 -0.16 0.00 0.00 57.16 57.42 2diq n GLU 24 Cb 0.29 -1.75 0.02 0.00 1.43 0.00 0.00 31.44 31.43 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 -3.85 5.92 -2.58 -1.84 3.02 -0.88 -5.00 115.26 110.04 2diq n ASN 25 Ca 0.29 -3.77 -0.14 0.00 -0.03 0.00 0.00 54.58 50.94 2diq n ASN 25 Cb 1.21 -0.71 -0.05 0.00 -0.61 0.00 0.00 39.78 39.62 2diq n ASN 25 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2diq n SER 26 N -0.53 -0.30 -4.77 6.41 3.41 0.64 -5.00 113.62 113.48 2diq n SER 26 Ca 0.46 -2.49 -0.28 0.00 -0.26 0.00 0.00 58.87 56.30 2diq n SER 26 Cb 0.51 1.09 -0.06 0.00 -0.26 0.00 0.00 64.21 65.48 2diq n SER 26 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2diq s VAL 27 N -2.88 4.41 -0.30 -3.33 -7.23 -1.26 -5.05 120.40 104.76 2diq s VAL 27 Ca 0.26 -0.97 -0.29 0.00 -1.81 0.00 0.00 61.98 59.17 2diq s VAL 27 Cb 0.01 -3.19 -0.02 0.00 0.56 0.00 0.00 36.38 33.75 2diq s VAL 27 CO 0.18 0.00 1.67 -2.16 -0.31 0.00 0.00 175.10 174.48 2diq s PRO 28 N -2.74 3.56 -0.08 4.82 0.04 -1.26 -4.99 135.00 134.35 2diq s PRO 28 Ca 0.30 1.45 -0.22 0.00 0.04 0.00 0.00 61.00 62.57 2diq s PRO 28 Cb -0.11 -4.11 -0.04 0.00 0.04 0.00 0.00 34.50 30.29 2diq s PRO 28 CO 0.22 -1.59 0.63 -1.21 0.04 0.00 0.00 177.00 175.10 2diq s GLU 29 N 5.15 4.41 -0.85 4.56 0.41 -1.26 -5.01 118.70 126.10 2diq s GLU 29 Ca 0.74 0.75 -0.21 0.00 -0.41 0.00 0.00 54.97 55.84 2diq s GLU 29 Cb -0.22 -3.45 0.10 0.00 -1.78 0.00 0.00 34.13 28.78 2diq s GLU 29 CO 0.32 0.08 1.13 -0.51 -0.49 0.00 0.00 175.26 175.79 2diq s ASP 30 N 0.76 6.45 0.08 -0.19 1.01 -1.26 -4.77 116.67 118.75 2diq s ASP 30 Ca 0.34 -1.59 0.09 0.00 0.71 0.00 0.00 52.55 52.11 2diq s ASP 30 Cb -0.17 -2.43 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2diq s ASP 30 CO 0.16 -1.27 -0.24 -1.48 0.21 0.00 0.00 175.17 172.55 2diq s LEU 31 N 3.52 2.38 -0.47 1.23 2.34 -1.26 -5.10 118.68 121.33 2diq s LEU 31 Ca 0.31 -0.60 -0.26 0.00 0.06 0.00 0.00 54.13 53.64 2diq s LEU 31 Cb -0.08 -1.35 0.03 0.00 -0.56 0.00 0.00 46.19 44.23 2diq s LEU 31 CO -0.03 0.22 0.95 -0.89 -1.06 0.00 0.00 176.35 175.55 2diq s THR 32 N -0.96 4.43 -0.04 5.48 2.01 -1.26 -5.02 115.64 120.28 2diq s THR 32 Ca 0.14 0.77 0.07 0.00 0.31 0.00 0.00 61.69 62.97 2diq s THR 32 Cb -0.10 -4.46 -0.02 0.00 0.01 0.00 0.00 72.50 67.93 2diq s THR 32 CO 0.05 -0.88 -0.24 0.54 -0.69 0.00 0.00 174.62 173.40 2diq s VAL 33 N 3.86 2.20 0.09 3.82 0.11 -1.26 -5.13 120.40 124.08 2diq s VAL 33 Ca 0.38 -1.04 0.08 0.00 -2.93 0.00 0.00 61.98 58.47 2diq s VAL 33 Cb -0.10 -1.79 -0.03 0.00 -1.53 0.00 0.00 36.38 32.93 2diq s VAL 33 CO 0.27 0.58 -0.20 -1.00 -3.33 0.00 0.00 175.10 171.41 2diq s HIS 34 N -0.46 1.72 -0.40 1.54 3.76 -1.26 -5.04 115.29 115.15 2diq s HIS 34 Ca 0.05 -0.41 -0.37 0.00 -0.15 0.00 0.00 55.06 54.19 2diq s HIS 34 Cb -0.11 -0.96 -0.16 0.00 1.11 0.00 0.00 32.58 32.46 2diq s HIS 34 CO 0.01 0.17 1.39 1.55 -0.85 0.00 0.00 174.74 177.01 2diq n VAL 35 N 1.24 0.00 0.00 -0.90 3.14 -1.26 -1.06 118.33 119.49 2diq n VAL 35 Ca -0.19 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 2diq n VAL 35 Cb 0.54 -0.40 0.00 0.00 -1.06 0.00 0.00 33.84 32.92 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 3.97 1.45 3.76 7.55 0.00 0.30 -4.90 105.19 117.32 2diq n GLY 36 Ca 0.30 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.59 4.60 -0.12 1.61 1.01 -0.22 -4.72 116.67 118.23 2diq s ASP 37 Ca 0.00 1.98 -0.03 0.00 0.71 0.00 0.00 52.55 55.22 2diq s ASP 37 Cb 0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 2diq s ASP 37 CO 0.00 -1.98 -0.02 -0.63 0.21 0.00 0.00 175.17 172.75 2diq s ILE 38 N -2.55 4.05 0.35 0.77 -1.09 -1.26 -2.49 121.20 118.98 2diq s ILE 38 Ca 0.65 -0.32 -0.10 0.00 -2.23 0.00 0.00 60.65 58.65 2diq s ILE 38 Cb -0.20 -2.74 0.02 0.00 -1.58 0.00 0.00 42.46 37.96 2diq s ILE 38 CO 0.49 0.54 0.61 0.68 -1.23 0.00 0.00 174.94 176.03 2diq s VAL 39 N -0.21 0.00 -0.05 2.92 -7.23 -1.17 -4.43 120.40 110.24 2diq s VAL 39 Ca 0.04 -1.31 -0.00 0.00 -1.81 0.00 0.00 61.98 58.90 2diq s VAL 39 Cb -0.13 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.12 2diq s VAL 39 CO 0.02 0.00 0.01 0.00 -0.31 0.00 0.00 175.10 174.82 2diq s ALA 40 N -2.91 3.32 -0.14 1.32 0.00 0.41 -2.53 121.76 121.25 2diq s ALA 40 Ca 0.23 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 2diq s ALA 40 Cb -0.03 -1.44 0.04 0.00 0.00 0.00 0.00 23.12 21.69 2diq s ALA 40 CO 0.15 0.62 0.36 0.00 0.00 0.00 0.00 175.76 176.89 2diq s ALA 41 N -1.00 -0.89 0.75 0.00 0.00 -1.23 -1.11 121.76 118.29 2diq s ALA 41 Ca 0.17 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 2diq s ALA 41 Cb -0.11 -0.60 0.05 0.00 0.00 0.00 0.00 23.12 22.45 2diq s ALA 41 CO 0.07 -0.17 1.09 -1.25 0.00 0.00 0.00 175.76 175.50 2diq s PRO 42 N 0.26 2.34 -0.25 0.00 0.04 -1.26 -1.11 135.00 135.03 2diq s PRO 42 Ca -0.01 1.21 -0.05 0.00 0.04 0.00 0.00 61.00 62.20 2diq s PRO 42 Cb -0.03 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.61 2diq s PRO 42 CO -0.00 -1.58 -0.00 -1.17 0.04 0.00 0.00 177.00 174.28 2diq s LEU 43 N -5.75 3.24 0.13 -3.56 2.96 0.20 -4.85 118.68 111.05 2diq s LEU 43 Ca 0.62 -0.52 0.19 0.00 -0.22 0.00 0.00 54.13 54.20 2diq s LEU 43 Cb -0.18 -1.78 0.80 0.00 0.50 0.00 0.00 46.19 45.53 2diq s LEU 43 CO 0.54 -0.08 1.59 -0.81 -1.32 0.00 0.00 176.35 176.26 2diq n PRO 44 N 4.81 0.10 -0.11 0.98 -0.04 -1.26 0.24 135.00 139.72 2diq n PRO 44 Ca -0.17 0.34 -0.22 0.00 -0.04 0.00 0.00 63.50 63.42 2diq n PRO 44 Cb 0.50 -1.69 -0.12 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.88 1.56 -0.12 0.52 -2.24 -1.26 -4.68 114.28 106.18 2diq n THR 45 Ca 0.03 -0.49 -0.17 0.00 -2.27 0.00 0.00 64.05 61.15 2diq n THR 45 Cb 0.20 -1.65 -0.13 0.00 -2.10 0.00 0.00 70.33 66.65 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 -3.65 1.68 -0.52 3.42 2.85 -1.19 -5.05 115.26 112.81 2diq n ASN 46 Ca -0.45 -0.10 0.00 0.00 -0.11 0.00 0.00 54.58 53.92 2diq n ASN 46 Cb 0.95 -0.21 0.00 0.00 1.24 0.00 0.00 39.78 41.76 2diq n ASN 46 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2diq n GLY 47 N 2.17 0.49 3.44 8.20 0.00 0.64 -4.99 105.19 115.14 2diq n GLY 47 Ca -0.43 -0.26 -0.16 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 -2.07 -0.53 0.01 1.61 0.01 -1.24 -4.80 113.70 106.69 2diq s SER 48 Ca 0.00 0.47 -0.30 0.00 1.31 0.00 0.00 55.95 57.43 2diq s SER 48 Cb 0.00 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 2diq s SER 48 CO 0.00 -0.62 1.07 0.26 0.41 0.00 0.00 173.24 174.36 2diq s TRP 49 N -1.59 3.54 -0.03 2.43 0.52 -1.26 -0.63 118.94 121.93 2diq s TRP 49 Ca -0.10 1.52 0.02 0.00 0.02 0.00 0.00 56.10 57.57 2diq s TRP 49 Cb -0.01 -3.25 0.01 0.00 -1.15 0.00 0.00 33.47 29.07 2diq s TRP 49 CO 0.06 -0.54 -0.08 0.71 0.02 0.00 0.00 176.95 177.11 2diq s TYR 50 N 1.18 0.89 -0.09 -1.98 2.02 -0.27 -4.65 117.35 114.45 2diq s TYR 50 Ca 0.54 -0.23 -0.31 0.00 -0.37 0.00 0.00 57.07 56.71 2diq s TYR 50 Cb -0.24 -0.65 -0.09 0.00 -0.40 0.00 0.00 41.96 40.58 2diq s TYR 50 CO 0.27 -0.11 2.05 0.54 -1.57 0.00 0.00 175.55 176.73 2diq n ARG 51 N 3.38 2.32 -4.36 -0.62 1.74 -1.26 -3.55 116.66 114.32 2diq n ARG 51 Ca -0.19 0.79 -0.18 0.00 -0.77 0.00 0.00 57.85 57.50 2diq n ARG 51 Cb 0.54 -2.96 -0.10 0.00 -1.02 0.00 0.00 32.46 28.92 2diq n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2diq s ALA 52 N 5.75 1.99 -0.17 7.54 0.00 -1.05 -2.55 121.76 133.28 2diq s ALA 52 Ca 0.95 -1.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 2diq s ALA 52 Cb -0.49 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 2diq s ALA 52 CO 0.43 -0.09 -0.10 0.50 0.00 0.00 0.00 175.76 176.50 2diq s ARG 53 N -3.75 3.36 0.23 0.00 3.52 0.21 -3.03 118.95 119.49 2diq s ARG 53 Ca 0.26 -0.67 -0.31 0.00 -0.13 0.00 0.00 55.73 54.88 2diq s ARG 53 Cb 0.03 -2.80 -0.11 0.00 -1.56 0.00 0.00 34.95 30.51 2diq s ARG 53 CO 0.08 0.00 1.58 0.08 -0.81 0.00 0.00 175.30 176.23 2diq s VAL 54 N 0.92 2.37 -0.16 7.11 1.01 -1.04 0.14 120.40 130.75 2diq s VAL 54 Ca -0.02 0.29 0.11 0.00 0.00 0.00 0.00 61.98 62.36 2diq s VAL 54 Cb -0.15 -3.18 -0.16 0.00 0.00 0.00 0.00 36.38 32.89 2diq s VAL 54 CO -0.00 0.03 0.31 0.18 0.00 0.00 0.00 175.10 175.63 2diq n LEU 55 N 3.13 0.14 0.00 3.92 4.77 0.30 0.11 117.00 129.38 2diq n LEU 55 Ca 0.11 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 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 0.00 177.39 177.33 2diq n GLY 56 N 1.69 -0.12 3.06 -0.72 0.00 -1.25 -4.69 105.19 103.15 2diq n GLY 56 Ca -0.01 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 0.01 0.71 2.61 2.01 -1.26 -3.96 115.64 115.75 2diq s THR 57 Ca 0.00 -0.06 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 2diq s THR 57 Cb 0.00 -0.26 0.15 0.00 0.01 0.00 0.00 72.50 72.40 2diq s THR 57 CO 0.00 -0.04 0.97 0.18 -0.69 0.00 0.00 174.62 175.04 2diq n LEU 58 N 2.84 0.00 0.07 4.42 4.77 0.48 -4.84 117.00 124.75 2diq n LEU 58 Ca -0.13 -1.43 -0.14 0.00 -0.03 0.00 0.00 56.01 54.28 2diq n LEU 58 Cb 0.59 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 2diq n LEU 58 CO 0.21 -1.11 0.14 -0.08 -1.33 0.00 0.00 177.39 175.21 2diq h GLU 59 N 0.00 0.40 -0.21 3.23 4.57 -2.03 -3.27 114.58 117.28 2diq h GLU 59 Ca -0.32 -0.46 -0.17 0.00 -1.18 0.00 0.00 59.36 57.24 2diq h GLU 59 Cb 0.98 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.71 2diq h GLU 59 CO 0.27 1.14 -0.54 -2.95 -1.18 0.00 0.00 179.01 175.74 2diq h ASN 60 N 0.21 0.70 0.00 1.04 -1.07 -2.06 -3.47 115.58 110.92 2diq h ASN 60 Ca -0.09 -0.37 0.00 0.00 0.07 0.00 0.00 56.30 55.91 2diq h ASN 60 Cb 1.65 -0.20 0.00 0.00 -2.07 0.00 0.00 38.32 37.70 2diq h ASN 60 CO 0.17 1.10 0.00 0.61 0.07 0.00 0.00 177.43 179.38 2diq n GLY 61 N 0.27 1.42 3.38 9.14 0.00 -1.23 -5.14 105.19 113.02 2diq n GLY 61 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.59 -4.45 1.61 4.13 -1.26 -4.51 115.26 108.18 2diq n ASN 62 Ca 0.00 -0.40 -0.33 0.00 1.68 0.00 0.00 54.58 55.53 2diq n ASN 62 Cb 0.00 -1.16 -0.13 0.00 -1.54 0.00 0.00 39.78 36.95 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 -7.17 2.98 -0.63 3.41 1.43 -1.12 -0.38 118.68 117.19 2diq s LEU 63 Ca 0.68 -0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 53.30 2diq s LEU 63 Cb -0.21 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.34 2diq s LEU 63 CO 0.63 0.20 1.46 -0.62 0.23 0.00 0.00 176.35 178.25 2diq s ASP 64 N 0.14 5.97 0.14 2.29 -1.08 -1.25 -3.36 116.67 119.51 2diq s ASP 64 Ca -0.04 0.05 -0.03 0.00 -0.52 0.00 0.00 52.55 52.00 2diq s ASP 64 Cb -0.14 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.72 2diq s ASP 64 CO 0.04 -1.89 0.35 -0.76 0.52 0.00 0.00 175.17 173.43 2diq s LEU 65 N 6.55 4.27 -0.26 -1.34 1.43 0.11 0.11 118.68 129.56 2diq s LEU 65 Ca 0.49 0.51 0.03 0.00 -1.03 0.00 0.00 54.13 54.14 2diq s LEU 65 Cb -0.10 -3.24 0.06 0.00 0.03 0.00 0.00 46.19 42.94 2diq s LEU 65 CO 0.21 0.05 -0.10 -0.47 0.23 0.00 0.00 176.35 176.28 2diq s TYR 66 N -1.67 3.22 -0.36 0.29 5.04 0.36 -0.69 117.35 123.54 2diq s TYR 66 Ca 0.40 -2.32 -0.28 0.00 -2.44 0.00 0.00 57.07 52.43 2diq s TYR 66 Cb -0.12 -1.96 -0.07 0.00 0.35 0.00 0.00 41.96 40.16 2diq s TYR 66 CO 0.26 -0.88 2.31 1.19 -1.34 0.00 0.00 175.55 177.10 2diq n PHE 67 N 4.44 1.67 0.07 4.97 3.72 0.80 0.65 117.46 133.78 2diq n PHE 67 Ca -0.13 0.03 -0.11 0.00 -0.05 0.00 0.00 57.45 57.19 2diq n PHE 67 Cb 0.42 -2.66 -0.01 0.00 -0.94 0.00 0.00 39.48 36.29 2diq n PHE 67 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 2diq h VAL 68 N 7.39 1.43 -0.02 -4.37 -1.51 -1.76 0.92 116.25 118.32 2diq h VAL 68 Ca -0.32 -2.42 -0.08 0.00 -1.23 0.00 0.00 66.70 62.65 2diq h VAL 68 Cb 1.26 2.36 0.01 0.00 -2.13 0.00 0.00 31.29 32.78 2diq h VAL 68 CO 1.06 0.72 -0.29 0.44 -1.23 0.00 0.00 177.57 178.27 2diq h ASP 69 N 0.20 0.29 0.00 4.19 5.19 -1.78 1.39 116.42 125.90 2diq h ASP 69 Ca -0.06 -0.72 -0.13 0.00 -0.62 0.00 0.00 57.03 55.51 2diq h ASP 69 Cb 1.48 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.89 2diq h ASP 69 CO 0.14 0.97 -0.83 -0.26 -3.12 0.00 0.00 179.24 176.14 2diq h PHE 70 N -0.36 0.00 0.00 4.55 -1.00 -1.86 -2.82 116.94 115.45 2diq h PHE 70 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 2diq h PHE 70 Cb 0.99 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.55 2diq h PHE 70 CO 0.16 0.92 0.00 0.41 -1.61 0.00 0.00 178.31 178.19 2diq n GLY 71 N 1.53 3.53 3.19 -1.45 0.00 0.32 -4.76 105.19 107.55 2diq n GLY 71 Ca -0.21 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.51 -4.46 1.61 8.00 -1.26 -4.26 116.55 112.67 2diq n ASP 72 Ca 0.00 -0.63 -0.30 0.00 0.71 0.00 0.00 54.79 54.57 2diq n ASP 72 Cb 0.00 -0.97 -0.12 0.00 -0.02 0.00 0.00 41.12 40.01 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 -2.63 3.78 0.09 -2.24 -0.87 -1.26 -0.14 114.94 111.66 2diq s ASN 73 Ca 0.58 -0.49 0.01 0.00 -1.57 0.00 0.00 52.86 51.39 2diq s ASN 73 Cb -0.12 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.25 40.51 2diq s ASN 73 CO 0.51 0.23 -0.06 -0.83 -2.57 0.00 0.00 177.10 174.39 2diq s GLY 74 N -1.68 0.69 -0.01 0.66 0.00 0.13 -4.92 107.32 102.19 2diq s GLY 74 Ca 0.16 -1.31 0.04 0.00 0.00 0.00 0.00 44.72 43.61 2diq s GLY 74 CO 0.07 -1.42 -0.15 0.51 0.00 0.00 0.00 173.10 172.12 2diq s ASP 75 N -3.00 1.71 -0.24 1.64 1.47 -1.26 0.07 116.67 117.06 2diq s ASP 75 Ca 0.10 -0.26 -0.27 0.00 1.18 0.00 0.00 52.55 53.30 2diq s ASP 75 Cb 0.06 -0.19 0.13 0.00 -0.34 0.00 0.00 42.92 42.57 2diq s ASP 75 CO -0.06 0.18 1.04 0.00 0.68 0.00 0.00 175.17 177.00 2diq s PRO 77 N -0.27 4.01 0.48 0.00 0.04 -1.26 -2.81 135.00 135.18 2diq s PRO 77 Ca 0.02 1.87 0.33 0.00 0.04 0.00 0.00 61.00 63.26 2diq s PRO 77 Cb -0.03 -2.66 1.44 0.00 0.04 0.00 0.00 34.50 33.29 2diq s PRO 77 CO -0.04 -0.37 1.69 1.25 0.04 0.00 0.00 177.00 179.58 2diq h LEU 78 N 2.58 0.18 -0.95 -3.56 6.46 -1.94 1.11 115.31 119.19 2diq h LEU 78 Ca -0.49 0.07 -0.07 0.00 -0.12 0.00 0.00 57.88 57.26 2diq h LEU 78 Cb 1.24 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.19 2diq h LEU 78 CO 0.62 -0.05 -0.03 0.07 -0.62 0.00 0.00 178.44 178.44 2diq h LYS 79 N 0.12 0.73 -0.60 1.25 5.09 -1.90 -1.97 116.57 119.29 2diq h LYS 79 Ca 0.72 -0.20 0.00 0.00 0.09 0.00 0.00 60.65 61.26 2diq h LYS 79 Cb 2.46 -0.08 0.00 0.00 0.10 0.00 0.00 32.23 34.71 2diq h LYS 79 CO -0.22 0.77 0.00 -0.25 -2.09 0.00 0.00 179.45 177.66 2diq n ASP 80 N -4.21 2.31 -4.60 7.07 8.00 0.38 -4.43 116.55 121.08 2diq n ASP 80 Ca 0.02 -2.21 -0.28 0.00 0.71 0.00 0.00 54.79 53.03 2diq n ASP 80 Cb 0.31 -0.41 -0.09 0.00 -0.02 0.00 0.00 41.12 40.91 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 -1.05 3.09 -0.02 0.64 1.43 -0.74 -4.08 118.68 117.95 2diq s LEU 81 Ca 0.21 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2diq s LEU 81 Cb 0.14 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.56 2diq s LEU 81 CO 0.09 0.13 -0.05 -0.13 0.23 0.00 0.00 176.35 176.62 2diq s ARG 82 N -2.64 0.59 -0.43 1.70 1.81 -0.27 -4.22 118.95 115.49 2diq s ARG 82 Ca 0.24 -0.16 -0.27 0.00 -1.72 0.00 0.00 55.73 53.82 2diq s ARG 82 Cb -0.10 -0.60 -0.05 0.00 -0.45 0.00 0.00 34.95 33.76 2diq s ARG 82 CO 0.16 0.04 2.18 0.00 -0.68 0.00 0.00 175.30 177.00 2diq s ALA 83 N 0.29 2.14 -0.12 2.13 0.00 -1.26 -0.44 121.76 124.50 2diq s ALA 83 Ca -0.03 0.09 -0.38 0.00 0.00 0.00 0.00 51.96 51.64 2diq s ALA 83 Cb -0.07 -4.23 -0.15 0.00 0.00 0.00 0.00 23.12 18.66 2diq s ALA 83 CO -0.00 -3.74 1.67 -0.11 0.00 0.00 0.00 175.76 173.58 2diq n LEU 84 N 13.62 2.52 -4.82 0.00 7.94 -1.26 -4.89 117.00 130.11 2diq n LEU 84 Ca 0.30 1.06 -0.32 0.00 -1.11 0.00 0.00 56.01 55.94 2diq n LEU 84 Cb 0.51 -1.23 -0.00 0.00 0.53 0.00 0.00 43.42 43.23 2diq n LEU 84 CO 0.70 -0.47 0.71 -0.13 -1.11 0.00 0.00 177.39 177.08 2diq s ARG 85 N 2.74 3.50 0.35 1.96 0.52 -1.26 -4.87 118.95 121.90 2diq s ARG 85 Ca 0.92 1.11 0.10 0.00 -0.52 0.00 0.00 55.73 57.35 2diq s ARG 85 Cb -0.93 -2.06 0.85 0.00 0.52 0.00 0.00 34.95 33.33 2diq s ARG 85 CO 0.56 -0.65 1.84 1.03 0.02 0.00 0.00 175.30 178.10 2diq h SER 86 N 0.54 0.64 -0.42 0.23 0.87 -1.98 0.22 113.55 113.66 2diq h SER 86 Ca -0.47 0.05 0.12 0.00 -1.23 0.00 0.00 61.79 60.26 2diq h SER 86 Cb 1.21 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 2diq h SER 86 CO 0.59 0.29 0.30 0.44 -0.53 0.00 0.00 176.83 177.92 2diq h ASP 87 N 0.66 0.03 0.83 6.23 3.32 -2.01 0.29 116.42 125.77 2diq h ASP 87 Ca 0.49 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.44 2diq h ASP 87 Cb 0.86 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 2diq h ASP 87 CO -0.24 0.02 -1.24 -0.26 -1.72 0.00 0.00 179.24 175.80 2diq h PHE 88 N 0.03 0.00 0.00 4.55 0.04 -0.95 -3.33 116.94 117.28 2diq h PHE 88 Ca 0.20 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.92 2diq h PHE 88 Cb 0.76 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.90 2diq h PHE 88 CO -0.00 0.36 -0.50 -0.07 -0.60 0.00 0.00 178.31 177.50 2diq h LEU 89 N 0.00 0.00 -1.95 1.54 3.38 -0.12 -3.32 115.31 114.84 2diq h LEU 89 Ca -0.10 0.00 0.49 0.00 0.09 0.00 0.00 57.88 58.36 2diq h LEU 89 Cb 1.36 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.04 2diq h LEU 89 CO 0.03 0.22 1.19 -1.28 0.09 0.00 0.00 178.44 178.69 2diq h SER 90 N 0.00 0.02 -3.32 -0.43 0.87 -0.65 -3.37 113.55 106.67 2diq h SER 90 Ca -0.02 0.01 -0.56 0.00 -1.23 0.00 0.00 61.79 59.99 2diq h SER 90 Cb 1.18 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 63.10 2diq h SER 90 CO 0.03 -0.01 0.01 -0.22 -0.53 0.00 0.00 176.83 176.11 2diq s LEU 91 N -8.17 4.43 0.88 2.23 0.20 -1.25 -5.07 118.68 111.94 2diq s LEU 91 Ca -0.05 1.22 -0.11 0.00 0.69 0.00 0.00 54.13 55.87 2diq s LEU 91 Cb 0.26 -2.97 0.12 0.00 -0.43 0.00 0.00 46.19 43.16 2diq s LEU 91 CO 0.86 0.11 1.09 -2.16 -0.29 0.00 0.00 176.35 175.96 2diq s PRO 92 N -0.27 1.42 -0.30 0.98 0.04 -1.26 -4.94 135.00 130.67 2diq s PRO 92 Ca 0.32 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 61.95 2diq s PRO 92 Cb -0.19 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 2diq s PRO 92 CO 0.18 -2.14 1.56 -0.06 0.04 0.00 0.00 177.00 176.58 2diq s PHE 93 N -2.93 2.20 0.05 0.56 0.08 -1.26 -4.90 117.98 111.77 2diq s PHE 93 Ca 0.63 0.64 -0.25 0.00 0.12 0.00 0.00 56.93 58.07 2diq s PHE 93 Cb -0.18 -4.08 -0.17 0.00 -0.57 0.00 0.00 43.02 38.02 2diq s PHE 93 CO 0.57 -2.53 1.55 1.96 -0.10 0.00 0.00 175.22 176.66 2diq h GLN 94 N 10.96 -0.09 -5.31 0.44 1.08 -1.77 -3.41 115.11 117.01 2diq h GLN 94 Ca -0.31 0.01 -0.61 0.00 -1.45 0.00 0.00 58.65 56.28 2diq h GLN 94 Cb 1.14 0.02 -0.13 0.00 -0.05 0.00 0.00 27.48 28.46 2diq h GLN 94 CO 1.03 0.10 -0.18 0.00 -0.95 0.00 0.00 178.83 178.84 2diq s ALA 95 N -5.49 3.57 -0.01 3.87 0.00 0.48 -4.96 121.76 119.22 2diq s ALA 95 Ca -0.14 -0.65 -0.00 0.00 0.00 0.00 0.00 51.96 51.17 2diq s ALA 95 Cb 0.04 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 2diq s ALA 95 CO 0.65 -0.51 0.06 0.42 0.00 0.00 0.00 175.76 176.39 2diq s ILE 96 N 1.76 4.58 -0.08 0.00 -1.09 -1.26 -4.45 121.20 120.67 2diq s ILE 96 Ca 0.18 -0.45 -0.01 0.00 -2.23 0.00 0.00 60.65 58.14 2diq s ILE 96 Cb -0.15 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 2diq s ILE 96 CO 0.09 0.37 -0.08 -1.84 -1.23 0.00 0.00 174.94 172.25 2diq n GLU 97 N 1.27 0.18 -1.15 2.79 -0.00 -1.26 -5.01 120.64 117.46 2diq n GLU 97 Ca -0.14 0.05 -0.48 0.00 -0.00 0.00 0.00 57.16 56.59 2diq n GLU 97 Cb 0.53 -1.03 -0.08 0.00 -0.00 0.00 0.00 31.44 30.86 2diq n GLU 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2diq n SER 99 N 4.24 0.25 -1.43 0.00 7.64 -1.26 -4.94 113.62 118.12 2diq n SER 99 Ca 0.32 -1.38 -0.08 0.00 1.01 0.00 0.00 58.87 58.73 2diq n SER 99 Cb -0.04 -0.54 0.07 0.00 -1.01 0.00 0.00 64.21 62.69 2diq n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2diq n LEU 100 N 0.00 4.28 -4.89 -3.43 -0.00 -1.26 -4.92 117.00 106.79 2diq n LEU 100 Ca 0.10 -2.22 -0.29 0.00 -0.00 0.00 0.00 56.01 53.59 2diq n LEU 100 Cb 0.34 -0.62 0.10 0.00 -0.00 0.00 0.00 43.42 43.24 2diq n LEU 100 CO 0.24 0.68 0.79 0.00 -0.00 0.00 0.00 177.39 179.11 2diq s ALA 101 N -1.22 2.52 0.19 1.47 0.00 -1.26 -4.98 121.76 118.47 2diq s ALA 101 Ca 0.21 -0.68 0.10 0.00 0.00 0.00 0.00 51.96 51.59 2diq s ALA 101 Cb 0.17 -2.95 0.17 0.00 0.00 0.00 0.00 23.12 20.51 2diq s ALA 101 CO 0.04 -1.81 1.50 0.07 0.00 0.00 0.00 175.76 175.56 2diq h ARG 102 N -1.16 0.00 -4.65 0.00 0.11 -2.05 -3.48 114.38 103.15 2diq h ARG 102 Ca -0.46 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.36 2diq h ARG 102 Cb 1.32 0.00 0.12 0.00 1.11 0.00 0.00 29.97 32.52 2diq h ARG 102 CO 0.63 0.73 -0.55 -0.89 0.10 0.00 0.00 179.97 180.00 2diq n ILE 103 N -3.60 -3.76 -2.36 0.08 2.08 -1.26 -4.96 119.36 105.58 2diq n ILE 103 Ca -0.01 -0.26 -0.42 0.00 0.56 0.00 0.00 62.75 62.63 2diq n ILE 103 Cb 0.73 -4.04 -0.03 0.00 -0.75 0.00 0.00 39.64 35.54 2diq n ILE 103 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2diq s ALA 104 N -3.26 3.44 -0.09 -1.39 0.00 -1.26 -5.00 121.76 114.20 2diq s ALA 104 Ca 0.13 0.94 -0.32 0.00 0.00 0.00 0.00 51.96 52.71 2diq s ALA 104 Cb -0.06 -3.44 0.12 0.00 0.00 0.00 0.00 23.12 19.74 2diq s ALA 104 CO 0.54 -0.43 1.03 0.45 0.00 0.00 0.00 175.76 177.35 2diq s SER 105 N 0.63 -0.26 0.00 0.00 0.15 -1.26 -5.18 113.70 107.77 2diq s SER 105 Ca 0.57 0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.23 2diq s SER 105 Cb -0.32 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 2diq s SER 105 CO 0.33 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2diq n GLY 106 N -0.15 0.04 3.77 9.45 0.00 -1.26 -5.12 105.19 111.92 2diq n GLY 106 Ca -0.05 -1.62 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.00 3.92 -0.03 1.61 0.04 -1.26 -4.97 135.00 132.31 2diq s PRO 107 Ca 0.00 1.84 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 2diq s PRO 107 Cb 0.00 -2.57 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 2diq s PRO 107 CO 0.00 -0.43 -0.04 0.45 0.04 0.00 0.00 177.00 177.02 2diq n SER 108 N -0.15 0.82 -3.26 6.66 2.88 -1.26 -5.07 113.62 114.23 2diq n SER 108 Ca 0.05 0.03 0.03 0.00 -1.33 0.00 0.00 58.87 57.66 2diq n SER 108 Cb 0.47 -0.09 -0.03 0.00 -0.75 0.00 0.00 64.21 63.81 2diq n SER 108 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2diq s SER 109 N -5.13 -0.43 0.00 -3.46 1.04 -1.26 -5.34 113.70 99.11 2diq s SER 109 Ca -0.05 0.47 0.07 0.00 0.48 0.00 0.00 55.95 56.93 2diq s SER 109 Cb 0.02 1.44 0.06 0.00 0.10 0.00 0.00 66.02 67.64 2diq s SER 109 CO 0.06 -0.08 0.74 0.61 0.98 0.00 0.00 173.24 175.54