#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 -0.03 -4.07 1.61 0.02 -2.13 -3.41 113.55 105.53 2diq h SER 2 Ca 0.00 -0.68 -0.64 0.00 -0.84 0.00 0.00 61.79 59.64 2diq h SER 2 Cb 0.00 0.01 -0.41 0.00 0.14 0.00 0.00 62.40 62.14 2diq h SER 2 CO 0.00 0.71 -0.67 -0.55 -1.14 0.00 0.00 176.83 175.18 2diq s SER 3 N -5.89 4.30 -0.45 3.07 0.15 -1.26 -4.93 113.70 108.70 2diq s SER 3 Ca -0.16 -2.74 0.06 0.00 0.70 0.00 0.00 55.95 53.82 2diq s SER 3 Cb -0.01 -1.52 0.33 0.00 -1.71 0.00 0.00 66.02 63.10 2diq s SER 3 CO 0.60 -0.27 1.16 0.61 1.20 0.00 0.00 173.24 176.54 2diq n GLY 4 N 3.46 0.55 3.29 9.45 0.00 -1.26 -5.12 105.19 115.56 2diq n GLY 4 Ca 0.05 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2diq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2diq s SER 5 N -1.20 4.04 -0.28 1.61 0.01 -1.26 -5.08 113.70 111.54 2diq s SER 5 Ca 0.22 -0.42 -0.01 0.00 1.31 0.00 0.00 55.95 57.05 2diq s SER 5 Cb 0.30 -1.67 0.09 0.00 0.21 0.00 0.00 66.02 64.95 2diq s SER 5 CO -0.06 0.02 0.07 -0.55 0.41 0.00 0.00 173.24 173.13 2diq s SER 6 N 1.20 3.86 0.00 2.44 0.15 -1.26 -4.87 113.70 115.21 2diq s SER 6 Ca 0.02 -1.47 0.00 0.00 0.70 0.00 0.00 55.95 55.20 2diq s SER 6 Cb -0.14 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.27 2diq s SER 6 CO -0.03 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.65 2diq n GLY 7 N 4.83 0.66 3.34 9.45 0.00 -1.26 -5.13 105.19 117.07 2diq n GLY 7 Ca -0.04 0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 2diq n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2diq s ARG 8 N 0.00 1.26 -0.12 1.61 1.81 -1.26 -5.12 118.95 117.13 2diq s ARG 8 Ca 0.00 -1.27 -0.25 0.00 -1.72 0.00 0.00 55.73 52.49 2diq s ARG 8 Cb 0.00 -1.59 -0.03 0.00 -0.45 0.00 0.00 34.95 32.88 2diq s ARG 8 CO 0.00 0.37 0.78 -1.12 -0.68 0.00 0.00 175.30 174.64 2diq s SER 9 N -2.07 6.98 0.22 0.23 0.01 -1.26 -4.85 113.70 112.96 2diq s SER 9 Ca 0.11 1.19 -0.18 0.00 1.31 0.00 0.00 55.95 58.38 2diq s SER 9 Cb -0.10 -2.44 0.21 0.00 0.21 0.00 0.00 66.02 63.91 2diq s SER 9 CO 0.05 -0.26 1.52 0.18 0.41 0.00 0.00 173.24 175.14 2diq n LEU 10 N 4.53 -0.67 -0.27 2.44 4.77 -1.26 0.18 117.00 126.71 2diq n LEU 10 Ca 0.02 1.71 0.18 0.00 -0.03 0.00 0.00 56.01 57.90 2diq n LEU 10 Cb 0.50 -0.38 0.48 0.00 -2.33 0.00 0.00 43.42 41.69 2diq n LEU 10 CO 0.48 -1.53 1.22 1.56 -1.33 0.00 0.00 177.39 177.79 2diq h GLN 11 N 0.00 0.46 0.00 3.23 4.20 -1.99 0.13 115.11 121.13 2diq h GLN 11 Ca 0.33 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.01 2diq h GLN 11 Cb 0.57 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2diq h GLN 11 CO -0.97 0.30 -0.01 1.25 -0.67 0.00 0.00 178.83 178.73 2diq h LEU 12 N 0.47 0.00 -1.55 1.46 5.85 0.14 -3.10 115.31 118.58 2diq h LEU 12 Ca 0.50 0.00 0.49 0.00 0.84 0.00 0.00 57.88 59.72 2diq h LEU 12 Cb 1.16 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.08 2diq h LEU 12 CO -0.22 0.07 1.06 -0.67 -0.34 0.00 0.00 178.44 178.34 2diq n ASP 13 N -2.41 0.12 0.01 1.25 -0.08 0.13 0.10 116.55 115.67 2diq n ASP 13 Ca -0.00 1.17 -0.13 0.00 -1.51 0.00 0.00 54.79 54.32 2diq n ASP 13 Cb 0.01 -0.58 -0.10 0.00 2.34 0.00 0.00 41.12 42.79 2diq n ASP 13 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2diq h LYS 14 N 0.00 -0.07 -0.22 -0.67 3.11 -1.10 -2.93 116.57 114.70 2diq h LYS 14 Ca 0.86 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.71 2diq h LYS 14 Cb 3.07 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 34.31 2diq h LYS 14 CO -0.27 0.42 0.15 1.25 -2.81 0.00 0.00 179.45 178.18 2diq h LEU 15 N -0.58 0.26 -0.74 5.20 5.85 0.75 -2.19 115.31 123.85 2diq h LEU 15 Ca -0.01 -0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.85 2diq h LEU 15 Cb 0.51 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.38 2diq h LEU 15 CO 0.01 0.19 0.22 0.58 -0.34 0.00 0.00 178.44 179.11 2diq h VAL 16 N 0.30 0.56 0.50 1.05 2.07 -1.12 -0.60 116.25 119.01 2diq h VAL 16 Ca 0.08 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2diq h VAL 16 Cb -0.03 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 2diq h VAL 16 CO -0.02 0.06 -0.24 -1.13 0.02 0.00 0.00 177.57 176.26 2diq h ASN 17 N 0.33 -0.57 -0.74 0.57 -0.73 -1.28 -1.59 115.58 111.57 2diq h ASN 17 Ca 0.42 -0.04 0.17 0.00 1.87 0.00 0.00 56.30 58.71 2diq h ASN 17 Cb 0.69 0.15 -0.12 0.00 0.27 0.00 0.00 38.32 39.31 2diq h ASN 17 CO -0.47 -0.30 0.12 -0.33 -0.37 0.00 0.00 177.43 176.07 2diq h GLU 18 N -0.83 0.19 0.80 6.67 4.39 -0.78 -0.32 114.58 124.70 2diq h GLU 18 Ca -0.07 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 2diq h GLU 18 Cb 0.58 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2diq h GLU 18 CO 0.11 0.13 -0.38 0.52 -1.16 0.00 0.00 179.01 178.23 2diq h MET 19 N 0.20 -1.03 0.00 2.33 2.86 -1.03 -2.74 114.93 115.52 2diq h MET 19 Ca 0.41 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.12 2diq h MET 19 Cb 0.72 0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.62 2diq h MET 19 CO -0.56 -0.69 0.00 2.41 1.06 0.00 0.00 176.91 179.13 2diq n THR 20 N -4.96 0.00 -0.22 2.22 -1.04 -0.61 -0.12 114.28 109.56 2diq n THR 20 Ca -0.13 1.42 0.18 0.00 -2.04 0.00 0.00 64.05 63.48 2diq n THR 20 Cb 0.42 -2.14 0.34 0.00 -1.82 0.00 0.00 70.33 67.14 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 -2.30 -0.04 0.12 -2.82 1.13 -0.18 0.21 117.38 113.50 2diq n GLN 21 Ca 0.00 0.95 -0.05 0.00 -1.94 0.00 0.00 57.00 55.95 2diq n GLN 21 Cb 0.00 -1.64 -0.03 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 -0.33 0.70 1.08 2.76 -0.91 -3.28 115.15 115.16 2diq h HIS 22 Ca 0.53 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.65 2diq h HIS 22 Cb 1.32 0.11 0.01 0.00 1.55 0.00 0.00 27.41 30.40 2diq h HIS 22 CO -0.10 -0.21 -0.34 1.88 -1.30 0.00 0.00 177.93 177.87 2diq h TYR 23 N -0.77 -0.87 -0.70 5.26 0.05 0.28 -2.97 116.97 117.25 2diq h TYR 23 Ca -0.04 -0.02 0.26 0.00 0.05 0.00 0.00 58.73 58.98 2diq h TYR 23 Cb 0.27 0.29 -0.09 0.00 1.01 0.00 0.00 36.73 38.21 2diq h TYR 23 CO 0.03 -0.51 0.43 -0.85 -1.05 0.00 0.00 178.16 176.20 2diq n GLU 24 N -5.43 -0.03 -2.71 4.88 0.28 0.57 0.15 120.64 118.36 2diq n GLU 24 Ca -0.13 0.74 -0.32 0.00 -0.16 0.00 0.00 57.16 57.29 2diq n GLU 24 Cb 0.39 -1.40 -0.01 0.00 1.43 0.00 0.00 31.44 31.84 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 -3.98 5.65 -3.35 -1.84 3.02 -1.12 -5.01 115.26 108.63 2diq n ASN 25 Ca 0.22 -3.71 -0.14 0.00 -0.03 0.00 0.00 54.58 50.93 2diq n ASN 25 Cb 0.83 -0.78 -0.04 0.00 -0.61 0.00 0.00 39.78 39.18 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 -2.64 0.73 0.10 6.41 0.01 0.40 -4.95 113.70 113.76 2diq s SER 26 Ca 0.46 -1.40 0.02 0.00 1.31 0.00 0.00 55.95 56.34 2diq s SER 26 Cb 0.28 0.66 -0.04 0.00 0.21 0.00 0.00 66.02 67.13 2diq s SER 26 CO -0.17 -1.29 0.23 0.68 0.41 0.00 0.00 173.24 173.11 2diq s VAL 27 N -3.16 5.26 -0.29 3.43 -7.23 -1.26 -5.04 120.40 112.10 2diq s VAL 27 Ca 0.29 -0.58 -0.29 0.00 -1.81 0.00 0.00 61.98 59.60 2diq s VAL 27 Cb -0.00 -3.63 -0.02 0.00 0.56 0.00 0.00 36.38 33.29 2diq s VAL 27 CO 0.18 0.03 1.66 -2.16 -0.31 0.00 0.00 175.10 174.50 2diq s PRO 28 N -2.84 3.59 -0.09 4.82 0.04 -1.26 -4.99 135.00 134.27 2diq s PRO 28 Ca 0.34 1.47 -0.23 0.00 0.04 0.00 0.00 61.00 62.63 2diq s PRO 28 Cb -0.12 -4.10 -0.03 0.00 0.04 0.00 0.00 34.50 30.29 2diq s PRO 28 CO 0.28 -1.55 0.69 -1.21 0.04 0.00 0.00 177.00 175.24 2diq s GLU 29 N 5.09 4.40 -0.83 4.56 0.41 -1.25 -4.99 118.70 126.08 2diq s GLU 29 Ca 0.73 0.83 -0.19 0.00 -0.41 0.00 0.00 54.97 55.93 2diq s GLU 29 Cb -0.22 -3.47 0.12 0.00 -1.78 0.00 0.00 34.13 28.78 2diq s GLU 29 CO 0.31 0.02 1.03 -0.51 -0.49 0.00 0.00 175.26 175.62 2diq s ASP 30 N 0.84 6.49 0.17 -0.19 1.01 -1.26 -4.65 116.67 119.08 2diq s ASP 30 Ca 0.36 -1.78 0.10 0.00 0.71 0.00 0.00 52.55 51.94 2diq s ASP 30 Cb -0.17 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 2diq s ASP 30 CO 0.16 -1.13 -0.20 -1.48 0.21 0.00 0.00 175.17 172.73 2diq s LEU 31 N 2.88 2.58 -0.50 1.23 2.34 -1.26 -5.09 118.68 120.85 2diq s LEU 31 Ca 0.28 -0.73 -0.25 0.00 0.06 0.00 0.00 54.13 53.49 2diq s LEU 31 Cb -0.10 -1.35 0.03 0.00 -0.56 0.00 0.00 46.19 44.22 2diq s LEU 31 CO -0.04 0.14 0.92 -0.89 -1.06 0.00 0.00 176.35 175.42 2diq s THR 32 N -1.48 4.45 -0.07 5.48 2.01 -1.26 -5.01 115.64 119.76 2diq s THR 32 Ca 0.20 0.48 0.05 0.00 0.31 0.00 0.00 61.69 62.73 2diq s THR 32 Cb -0.09 -4.47 -0.01 0.00 0.01 0.00 0.00 72.50 67.94 2diq s THR 32 CO 0.10 -0.96 -0.23 0.54 -0.69 0.00 0.00 174.62 173.38 2diq s VAL 33 N 3.80 1.96 0.18 3.82 0.11 -1.26 -5.13 120.40 123.86 2diq s VAL 33 Ca 0.33 -0.99 0.11 0.00 -2.93 0.00 0.00 61.98 58.49 2diq s VAL 33 Cb -0.11 -1.67 -0.04 0.00 -1.53 0.00 0.00 36.38 33.02 2diq s VAL 33 CO 0.22 0.54 -0.23 -1.00 -3.33 0.00 0.00 175.10 171.30 2diq s HIS 34 N 0.05 2.20 -0.48 1.54 3.76 -1.26 -5.04 115.29 116.06 2diq s HIS 34 Ca -0.09 -0.38 -0.44 0.00 -0.15 0.00 0.00 55.06 54.00 2diq s HIS 34 Cb -0.15 -1.11 -0.19 0.00 1.11 0.00 0.00 32.58 32.24 2diq s HIS 34 CO 0.05 0.44 1.97 1.55 -0.85 0.00 0.00 174.74 177.90 2diq n VAL 35 N 0.39 0.02 0.00 -0.90 3.14 -1.26 -1.41 118.33 118.31 2diq n VAL 35 Ca -0.14 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 2diq n VAL 35 Cb 0.56 -0.59 0.00 0.00 -1.06 0.00 0.00 33.84 32.75 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 6.28 1.11 3.84 7.55 0.00 0.99 -4.91 105.19 120.05 2diq n GLY 36 Ca 0.46 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.66 5.42 -0.13 1.61 1.01 -0.50 -4.82 116.67 118.61 2diq s ASP 37 Ca 0.00 1.44 -0.01 0.00 0.71 0.00 0.00 52.55 54.69 2diq s ASP 37 Cb 0.00 -2.32 -0.02 0.00 1.01 0.00 0.00 42.92 41.59 2diq s ASP 37 CO 0.00 -1.39 -0.11 -0.63 0.21 0.00 0.00 175.17 173.25 2diq s ILE 38 N -3.14 3.29 0.26 0.77 -1.09 -1.26 -2.62 121.20 117.40 2diq s ILE 38 Ca 0.58 -0.58 -0.13 0.00 -2.23 0.00 0.00 60.65 58.29 2diq s ILE 38 Cb -0.13 -2.39 -0.00 0.00 -1.58 0.00 0.00 42.46 38.36 2diq s ILE 38 CO 0.54 0.53 0.50 0.68 -1.23 0.00 0.00 174.94 175.96 2diq s VAL 39 N 0.19 0.00 0.02 2.92 -7.23 -1.16 -4.20 120.40 110.94 2diq s VAL 39 Ca -0.06 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 2diq s VAL 39 Cb -0.15 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 2diq s VAL 39 CO 0.04 0.00 0.11 0.00 -0.31 0.00 0.00 175.10 174.94 2diq s ALA 40 N -3.90 3.68 -0.12 1.32 0.00 0.69 -2.24 121.76 121.19 2diq s ALA 40 Ca 0.22 -0.88 -0.13 0.00 0.00 0.00 0.00 51.96 51.17 2diq s ALA 40 Cb -0.01 -1.62 0.03 0.00 0.00 0.00 0.00 23.12 21.52 2diq s ALA 40 CO 0.10 0.73 0.35 0.00 0.00 0.00 0.00 175.76 176.94 2diq s ALA 41 N -1.30 -0.88 0.90 0.00 0.00 -1.16 -1.12 121.76 118.21 2diq s ALA 41 Ca 0.26 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 53.06 2diq s ALA 41 Cb -0.12 -0.52 0.13 0.00 0.00 0.00 0.00 23.12 22.61 2diq s ALA 41 CO 0.18 -0.18 1.09 -1.25 0.00 0.00 0.00 175.76 175.61 2diq s PRO 42 N 0.05 1.20 -0.16 0.00 0.04 -1.26 -1.04 135.00 133.82 2diq s PRO 42 Ca -0.01 0.80 0.01 0.00 0.04 0.00 0.00 61.00 61.84 2diq s PRO 42 Cb -0.03 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.73 2diq s PRO 42 CO 0.01 -2.28 -0.19 -1.17 0.04 0.00 0.00 177.00 173.41 2diq s LEU 43 N -6.24 2.03 0.47 -3.56 2.96 0.56 -4.86 118.68 110.04 2diq s LEU 43 Ca 0.64 -0.60 0.31 0.00 -0.22 0.00 0.00 54.13 54.26 2diq s LEU 43 Cb -0.18 -1.40 1.29 0.00 0.50 0.00 0.00 46.19 46.40 2diq s LEU 43 CO 0.57 0.01 1.92 1.55 -1.32 0.00 0.00 176.35 179.07 2diq h PRO 44 N 7.79 0.00 0.06 0.98 0.13 -1.93 1.74 132.00 140.77 2diq h PRO 44 Ca -0.41 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.45 2diq h PRO 44 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2diq h PRO 44 CO 0.59 0.00 -1.46 1.79 -0.23 0.00 0.00 178.00 178.69 2diq h THR 45 N 0.00 0.88 0.03 1.56 1.35 -1.98 -3.42 112.91 111.34 2diq h THR 45 Ca 0.00 -2.27 -0.38 0.00 -0.55 0.00 0.00 66.41 63.21 2diq h THR 45 Cb 0.45 2.43 -0.05 0.00 -1.73 0.00 0.00 68.15 69.25 2diq h THR 45 CO 0.00 0.57 -2.20 -3.20 -0.25 0.00 0.00 175.52 170.43 2diq n ASN 46 N -4.07 2.00 -0.16 5.36 2.85 -1.20 -5.04 115.26 114.99 2diq n ASN 46 Ca -0.30 0.14 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 2diq n ASN 46 Cb 0.82 -0.70 0.00 0.00 1.24 0.00 0.00 39.78 41.14 2diq n ASN 46 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2diq n GLY 47 N 1.84 0.83 3.30 8.20 0.00 0.59 -5.00 105.19 114.95 2diq n GLY 47 Ca -0.43 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.01 -0.20 0.26 1.61 0.01 -1.23 -4.80 113.70 107.34 2diq s SER 48 Ca 0.00 -0.29 -0.24 0.00 1.31 0.00 0.00 55.95 56.73 2diq s SER 48 Cb 0.00 0.44 -0.09 0.00 0.21 0.00 0.00 66.02 66.58 2diq s SER 48 CO 0.00 -0.79 0.84 0.26 0.41 0.00 0.00 173.24 173.96 2diq s TRP 49 N -3.51 3.73 -0.06 2.43 0.52 -1.26 -0.33 118.94 120.47 2diq s TRP 49 Ca 0.01 1.63 -0.06 0.00 0.02 0.00 0.00 56.10 57.70 2diq s TRP 49 Cb 0.02 -2.80 0.02 0.00 -1.15 0.00 0.00 33.47 29.55 2diq s TRP 49 CO -0.10 0.32 0.17 0.71 0.02 0.00 0.00 176.95 178.07 2diq s TYR 50 N -1.48 -0.16 0.02 -1.98 2.02 -0.20 -4.65 117.35 110.91 2diq s TYR 50 Ca 0.45 0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 57.24 2diq s TYR 50 Cb -0.19 0.05 -0.08 0.00 -0.40 0.00 0.00 41.96 41.34 2diq s TYR 50 CO 0.24 -0.12 1.77 1.03 -1.57 0.00 0.00 175.55 176.90 2diq s ARG 51 N -0.12 4.17 0.10 -0.62 0.52 -1.26 -2.98 118.95 118.76 2diq s ARG 51 Ca -0.02 2.40 0.03 0.00 -0.52 0.00 0.00 55.73 57.62 2diq s ARG 51 Cb -0.02 -3.92 -0.04 0.00 0.52 0.00 0.00 34.95 31.49 2diq s ARG 51 CO 0.00 -0.85 -0.08 0.00 0.02 0.00 0.00 175.30 174.39 2diq s ALA 52 N 3.72 1.04 -0.22 2.13 0.00 -0.95 -2.14 121.76 125.35 2diq s ALA 52 Ca 0.79 -1.27 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 2diq s ALA 52 Cb -0.39 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 2diq s ALA 52 CO 0.35 -0.14 -0.00 0.50 0.00 0.00 0.00 175.76 176.46 2diq s ARG 53 N -3.32 3.53 0.16 0.00 3.52 0.23 -3.00 118.95 120.08 2diq s ARG 53 Ca 0.09 -0.55 -0.32 0.00 -0.13 0.00 0.00 55.73 54.82 2diq s ARG 53 Cb 0.01 -3.10 -0.10 0.00 -1.56 0.00 0.00 34.95 30.20 2diq s ARG 53 CO -0.02 -0.11 1.65 0.08 -0.81 0.00 0.00 175.30 176.09 2diq s VAL 54 N 1.31 2.47 -0.26 7.11 1.01 -1.08 0.15 120.40 131.10 2diq s VAL 54 Ca 0.04 0.27 0.12 0.00 0.00 0.00 0.00 61.98 62.41 2diq s VAL 54 Cb -0.15 -3.17 -0.15 0.00 0.00 0.00 0.00 36.38 32.91 2diq s VAL 54 CO 0.00 0.02 0.36 0.18 0.00 0.00 0.00 175.10 175.66 2diq n LEU 55 N 4.35 0.26 0.00 3.92 4.77 0.24 -0.00 117.00 130.53 2diq n LEU 55 Ca 0.15 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 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 0.63 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2diq n GLY 56 N 1.57 -0.09 3.08 -0.72 0.00 -1.25 -4.72 105.19 103.05 2diq n GLY 56 Ca -0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 0.03 0.85 2.61 2.01 -1.26 -3.59 115.64 116.29 2diq s THR 57 Ca 0.00 -0.28 -0.08 0.00 0.31 0.00 0.00 61.69 61.64 2diq s THR 57 Cb 0.00 -0.33 0.17 0.00 0.01 0.00 0.00 72.50 72.35 2diq s THR 57 CO 0.00 -0.15 1.17 -0.76 -0.69 0.00 0.00 174.62 174.18 2diq s LEU 58 N -0.52 2.84 0.27 4.42 1.43 0.60 -4.83 118.68 122.90 2diq s LEU 58 Ca -0.06 -0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.04 2diq s LEU 58 Cb -0.04 -2.07 0.35 0.00 0.03 0.00 0.00 46.19 44.47 2diq s LEU 58 CO 0.01 -2.34 1.61 -0.08 0.23 0.00 0.00 176.35 175.78 2diq h GLU 59 N -1.11 0.07 -0.08 1.70 4.22 -2.03 -3.18 114.58 114.16 2diq h GLU 59 Ca -0.40 -0.05 -0.19 0.00 0.08 0.00 0.00 59.36 58.80 2diq h GLU 59 Cb 1.25 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.51 2diq h GLU 59 CO 0.38 0.64 -0.69 -2.95 -2.18 0.00 0.00 179.01 174.21 2diq h ASN 60 N 0.05 0.75 0.00 1.04 7.08 -2.06 -3.48 115.58 118.97 2diq h ASN 60 Ca -0.01 -0.67 0.00 0.00 -3.08 0.00 0.00 56.30 52.54 2diq h ASN 60 Cb 1.06 -0.23 0.00 0.00 -2.08 0.00 0.00 38.32 37.08 2diq h ASN 60 CO 0.08 1.31 0.00 0.61 -2.08 0.00 0.00 177.43 177.35 2diq n GLY 61 N 0.83 1.58 3.38 9.14 0.00 -1.20 -5.14 105.19 113.77 2diq n GLY 61 Ca -0.09 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.34 -4.51 1.61 4.13 -1.26 -4.50 115.26 108.38 2diq n ASN 62 Ca 0.00 -0.30 -0.34 0.00 1.68 0.00 0.00 54.58 55.62 2diq n ASN 62 Cb 0.00 -1.15 -0.12 0.00 -1.54 0.00 0.00 39.78 36.97 2diq n ASN 62 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2diq s LEU 63 N -6.19 3.21 -0.72 3.41 1.43 -0.94 -0.29 118.68 118.59 2diq s LEU 63 Ca 0.66 -0.11 -0.26 0.00 -1.03 0.00 0.00 54.13 53.38 2diq s LEU 63 Cb -0.21 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.26 2diq s LEU 63 CO 0.64 0.21 1.52 -0.62 0.23 0.00 0.00 176.35 178.34 2diq s ASP 64 N 0.10 5.82 0.19 2.29 -1.08 -1.24 -3.25 116.67 119.51 2diq s ASP 64 Ca -0.01 -0.25 -0.07 0.00 -0.52 0.00 0.00 52.55 51.70 2diq s ASP 64 Cb -0.14 -2.55 -0.06 0.00 -1.46 0.00 0.00 42.92 38.71 2diq s ASP 64 CO 0.03 -2.05 0.47 -0.76 0.52 0.00 0.00 175.17 173.38 2diq s LEU 65 N 7.05 4.21 -0.32 -1.34 1.43 0.19 0.81 118.68 130.71 2diq s LEU 65 Ca 0.49 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 54.36 2diq s LEU 65 Cb -0.09 -3.51 0.08 0.00 0.03 0.00 0.00 46.19 42.69 2diq s LEU 65 CO 0.15 -0.02 0.02 -0.47 0.23 0.00 0.00 176.35 176.25 2diq s TYR 66 N -1.75 3.45 -0.09 0.29 5.04 0.39 0.07 117.35 124.75 2diq s TYR 66 Ca 0.44 -2.38 -0.31 0.00 -2.44 0.00 0.00 57.07 52.38 2diq s TYR 66 Cb -0.12 -2.46 -0.09 0.00 0.35 0.00 0.00 41.96 39.64 2diq s TYR 66 CO 0.23 -0.89 2.05 1.19 -1.34 0.00 0.00 175.55 176.79 2diq n PHE 67 N 4.47 2.26 0.53 4.97 3.01 0.14 0.75 117.46 133.59 2diq n PHE 67 Ca -0.07 -0.19 0.12 0.00 1.01 0.00 0.00 57.45 58.32 2diq n PHE 67 Cb 0.42 -2.74 0.22 0.00 -0.01 0.00 0.00 39.48 37.38 2diq n PHE 67 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 2diq h VAL 68 N 6.15 0.00 0.09 -4.37 -1.51 -1.68 0.28 116.25 115.21 2diq h VAL 68 Ca -0.46 -0.56 -0.33 0.00 -1.23 0.00 0.00 66.70 64.13 2diq h VAL 68 Cb 1.25 1.28 -0.02 0.00 -2.13 0.00 0.00 31.29 31.67 2diq h VAL 68 CO 0.95 0.00 -1.76 0.44 -1.23 0.00 0.00 177.57 175.97 2diq h ASP 69 N 0.00 0.31 0.00 4.19 3.32 -1.77 0.90 116.42 123.37 2diq h ASP 69 Ca 0.00 -0.58 -0.32 0.00 0.02 0.00 0.00 57.03 56.15 2diq h ASP 69 Cb 0.78 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.17 2diq h ASP 69 CO 0.00 1.51 -2.18 0.49 -1.72 0.00 0.00 179.24 177.34 2diq n PHE 70 N -3.36 0.00 0.00 4.55 3.01 -1.25 -2.97 117.46 117.43 2diq n PHE 70 Ca -0.23 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.23 2diq n PHE 70 Cb 1.05 -0.78 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 2.28 3.10 2.54 1.37 0.00 0.98 -4.83 105.19 110.62 2diq n GLY 71 Ca -0.38 -1.09 -0.21 0.00 0.00 0.00 0.00 46.02 44.34 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 0.17 -3.43 -4.17 1.61 9.92 -1.26 -4.37 116.55 115.01 2diq n ASP 72 Ca 0.00 -0.59 -0.31 0.00 -0.53 0.00 0.00 54.79 53.36 2diq n ASP 72 Cb 0.00 -0.75 -0.17 0.00 -0.64 0.00 0.00 41.12 39.57 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 -2.56 2.83 0.22 -2.24 -0.87 -1.26 -0.68 114.94 110.37 2diq s ASN 73 Ca 0.45 -0.51 0.09 0.00 -1.57 0.00 0.00 52.86 51.32 2diq s ASN 73 Cb -0.08 -1.30 -0.04 0.00 -0.02 0.00 0.00 41.25 39.81 2diq s ASN 73 CO 0.38 0.13 -0.04 -0.83 -2.57 0.00 0.00 177.10 174.16 2diq s GLY 74 N 0.46 1.70 -0.03 0.66 0.00 0.11 -4.93 107.32 105.29 2diq s GLY 74 Ca -0.17 -1.54 0.06 0.00 0.00 0.00 0.00 44.72 43.07 2diq s GLY 74 CO 0.07 -1.58 -0.20 0.51 0.00 0.00 0.00 173.10 171.90 2diq s ASP 75 N -3.21 2.42 -0.14 1.64 -4.77 -1.26 0.54 116.67 111.89 2diq s ASP 75 Ca 0.28 -0.39 -0.30 0.00 -3.30 0.00 0.00 52.55 48.84 2diq s ASP 75 Cb -0.08 -0.46 0.12 0.00 -1.09 0.00 0.00 42.92 41.41 2diq s ASP 75 CO 0.18 0.22 0.94 0.00 0.70 0.00 0.00 175.17 177.21 2diq s PRO 77 N -1.21 4.06 0.27 0.00 0.04 -1.26 -2.21 135.00 134.69 2diq s PRO 77 Ca -0.03 1.90 -0.00 0.00 0.04 0.00 0.00 61.00 62.91 2diq s PRO 77 Cb -0.00 -2.72 0.57 0.00 0.04 0.00 0.00 34.50 32.39 2diq s PRO 77 CO 0.02 -0.33 1.75 1.25 0.04 0.00 0.00 177.00 179.73 2diq h LEU 78 N 2.70 0.49 -1.63 -3.56 6.46 -1.96 0.21 115.31 118.01 2diq h LEU 78 Ca -0.49 0.10 0.07 0.00 -0.12 0.00 0.00 57.88 57.44 2diq h LEU 78 Cb 1.24 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 41.17 2diq h LEU 78 CO 0.63 0.17 0.35 0.07 -0.62 0.00 0.00 178.44 179.04 2diq h LYS 79 N 0.58 0.43 -0.88 1.25 5.09 -1.92 0.64 116.57 121.75 2diq h LYS 79 Ca 0.48 -0.03 -0.14 0.00 0.09 0.00 0.00 60.65 61.05 2diq h LYS 79 Cb 0.74 -0.10 -0.08 0.00 0.10 0.00 0.00 32.23 32.89 2diq h LYS 79 CO -0.40 0.28 0.18 -3.47 -2.09 0.00 0.00 179.45 173.96 2diq n ASP 80 N -4.47 3.53 -4.48 7.07 2.03 0.72 -3.96 116.55 116.99 2diq n ASP 80 Ca 0.07 -2.70 -0.29 0.00 0.52 0.00 0.00 54.79 52.39 2diq n ASP 80 Cb 0.27 -0.65 -0.11 0.00 -0.72 0.00 0.00 41.12 39.91 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 -1.68 2.67 -0.07 -2.67 1.43 0.21 -4.24 118.68 114.35 2diq s LEU 81 Ca 0.31 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 2diq s LEU 81 Cb 0.25 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.99 2diq s LEU 81 CO 0.07 0.16 -0.09 -0.13 0.23 0.00 0.00 176.35 176.60 2diq s ARG 82 N -2.27 1.42 -0.31 1.70 1.81 -0.28 -4.03 118.95 116.99 2diq s ARG 82 Ca 0.19 -0.30 -0.30 0.00 -1.72 0.00 0.00 55.73 53.60 2diq s ARG 82 Cb -0.10 -1.27 -0.07 0.00 -0.45 0.00 0.00 34.95 33.05 2diq s ARG 82 CO 0.10 -0.05 2.25 0.00 -0.68 0.00 0.00 175.30 176.92 2diq n ALA 83 N 4.08 1.45 -1.49 2.13 0.00 -1.26 -0.22 120.51 125.19 2diq n ALA 83 Ca -0.21 -0.29 -0.54 0.00 0.00 0.00 0.00 53.44 52.39 2diq n ALA 83 Cb 0.51 -2.85 -0.08 0.00 0.00 0.00 0.00 19.45 17.03 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 11.77 1.98 -4.56 0.00 7.94 -1.26 -4.85 117.00 128.03 2diq n LEU 84 Ca 0.35 0.67 -0.32 0.00 -1.11 0.00 0.00 56.01 55.60 2diq n LEU 84 Cb 0.39 -1.16 0.15 0.00 0.53 0.00 0.00 43.42 43.33 2diq n LEU 84 CO 0.70 -0.64 0.34 0.54 -1.11 0.00 0.00 177.39 177.22 2diq n ARG 85 N 7.21 -0.45 -0.07 1.96 5.12 -1.26 -4.83 116.66 124.33 2diq n ARG 85 Ca 0.39 -0.08 0.00 0.00 -1.93 0.00 0.00 57.85 56.24 2diq n ARG 85 Cb 0.15 -2.15 0.30 0.00 -1.16 0.00 0.00 32.46 29.60 2diq n ARG 85 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2diq h SER 86 N -1.78 0.63 -0.63 0.55 0.02 -1.99 -2.42 113.55 107.92 2diq h SER 86 Ca -0.44 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.37 2diq h SER 86 Cb 1.28 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 2diq h SER 86 CO 0.38 0.56 0.08 0.44 -1.14 0.00 0.00 176.83 177.16 2diq h ASP 87 N 0.69 1.01 0.58 3.07 3.32 -2.01 -2.10 116.42 120.98 2diq h ASP 87 Ca 0.17 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2diq h ASP 87 Cb 0.13 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2diq h ASP 87 CO -0.02 1.03 0.00 -0.26 -1.72 0.00 0.00 179.24 178.27 2diq h PHE 88 N 0.96 0.00 0.00 4.55 0.04 -1.78 -1.44 116.94 119.27 2diq h PHE 88 Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 2diq h PHE 88 Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 2diq h PHE 88 CO 0.03 0.00 -0.76 1.28 -0.60 0.00 0.00 178.31 178.26 2diq n LEU 89 N -2.50 0.66 0.02 1.54 4.77 -0.82 -4.13 117.00 116.54 2diq n LEU 89 Ca 0.01 -0.13 0.19 0.00 -0.03 0.00 0.00 56.01 56.05 2diq n LEU 89 Cb 0.19 -0.15 0.69 0.00 -2.33 0.00 0.00 43.42 41.82 2diq n LEU 89 CO 0.19 0.13 1.18 -1.28 -1.33 0.00 0.00 177.39 176.28 2diq h SER 90 N 0.00 0.00 -3.20 -1.43 0.87 -0.92 -3.40 113.55 105.47 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 0.56 -0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.46 2diq h SER 90 CO 0.00 0.00 -0.14 -0.22 -0.53 0.00 0.00 176.83 175.94 2diq s LEU 91 N -8.78 4.39 0.65 2.23 0.20 -1.26 -5.07 118.68 111.05 2diq s LEU 91 Ca -0.05 0.95 -0.15 0.00 0.69 0.00 0.00 54.13 55.57 2diq s LEU 91 Cb 0.19 -2.70 -0.01 0.00 -0.43 0.00 0.00 46.19 43.25 2diq s LEU 91 CO 0.73 0.16 1.11 -2.16 -0.29 0.00 0.00 176.35 175.90 2diq s PRO 92 N -0.29 2.85 -0.18 0.98 0.04 -1.26 -4.92 135.00 132.23 2diq s PRO 92 Ca 0.26 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.42 2diq s PRO 92 Cb -0.17 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 2diq s PRO 92 CO 0.13 -1.21 2.09 -0.06 0.04 0.00 0.00 177.00 177.99 2diq s PHE 93 N -2.29 1.31 0.11 0.56 0.08 -1.26 -4.87 117.98 111.62 2diq s PHE 93 Ca 0.67 0.34 -0.19 0.00 0.12 0.00 0.00 56.93 57.87 2diq s PHE 93 Cb -0.21 -4.02 -0.07 0.00 -0.57 0.00 0.00 43.02 38.16 2diq s PHE 93 CO 0.40 -4.21 1.70 1.96 -0.10 0.00 0.00 175.22 174.97 2diq h GLN 94 N 13.64 0.31 -4.58 0.44 1.08 -1.81 -3.37 115.11 120.82 2diq h GLN 94 Ca -0.42 -0.04 -0.71 0.00 -1.45 0.00 0.00 58.65 56.03 2diq h GLN 94 Cb 1.23 -0.06 -0.21 0.00 -0.05 0.00 0.00 27.48 28.39 2diq h GLN 94 CO 0.97 0.30 0.04 0.00 -0.95 0.00 0.00 178.83 179.18 2diq s ALA 95 N -5.82 3.46 0.08 3.87 0.00 0.31 -4.96 121.76 118.69 2diq s ALA 95 Ca -0.13 -2.26 -0.13 0.00 0.00 0.00 0.00 51.96 49.44 2diq s ALA 95 Cb 0.08 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 2diq s ALA 95 CO 0.70 -2.25 0.46 0.42 0.00 0.00 0.00 175.76 175.09 2diq s ILE 96 N 2.46 4.98 1.08 0.00 -1.09 -1.26 -4.42 121.20 122.95 2diq s ILE 96 Ca 0.10 0.73 -0.15 0.00 -2.23 0.00 0.00 60.65 59.10 2diq s ILE 96 Cb -0.25 -3.71 0.23 0.00 -1.58 0.00 0.00 42.46 37.15 2diq s ILE 96 CO 0.06 0.38 1.10 -1.83 -1.23 0.00 0.00 174.94 173.42 2diq s GLU 97 N -1.63 -0.24 0.98 2.79 1.03 -1.26 -4.96 118.70 115.41 2diq s GLU 97 Ca 0.31 0.28 -0.16 0.00 0.03 0.00 0.00 54.97 55.44 2diq s GLU 97 Cb -0.15 -1.68 -0.09 0.00 -0.80 0.00 0.00 34.13 31.40 2diq s GLU 97 CO 0.17 -3.13 -0.44 0.00 -1.33 0.00 0.00 175.26 170.53 2diq s SER 99 N -1.31 1.68 -0.72 0.00 1.04 -1.26 -4.24 113.70 108.89 2diq s SER 99 Ca 0.45 1.44 -0.01 0.00 0.48 0.00 0.00 55.95 58.31 2diq s SER 99 Cb -0.19 -2.16 -0.01 0.00 0.10 0.00 0.00 66.02 63.76 2diq s SER 99 CO 0.78 -3.75 0.60 -0.11 0.98 0.00 0.00 173.24 171.74 2diq n LEU 100 N -4.61 -3.40 -2.28 2.42 0.00 -1.26 -4.97 117.00 102.90 2diq n LEU 100 Ca 0.04 -0.39 -0.17 0.00 0.00 0.00 0.00 56.01 55.50 2diq n LEU 100 Cb 0.55 -2.11 0.03 0.00 0.00 0.00 0.00 43.42 41.89 2diq n LEU 100 CO 0.57 0.20 0.12 0.00 0.00 0.00 0.00 177.39 178.28 2diq n ALA 101 N -2.85 4.30 -2.61 1.96 0.00 -1.26 -5.04 120.51 115.01 2diq n ALA 101 Ca -0.16 -3.50 -0.39 0.00 0.00 0.00 0.00 53.44 49.39 2diq n ALA 101 Cb 0.60 -0.50 -0.08 0.00 0.00 0.00 0.00 19.45 19.47 2diq n ALA 101 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2diq s ARG 102 N -3.65 4.04 -0.16 0.00 0.52 -1.26 -5.06 118.95 113.38 2diq s ARG 102 Ca 0.44 0.17 0.01 0.00 -0.52 0.00 0.00 55.73 55.83 2diq s ARG 102 Cb 0.38 -3.65 0.01 0.00 0.52 0.00 0.00 34.95 32.21 2diq s ARG 102 CO 0.01 -0.31 -0.20 0.42 0.02 0.00 0.00 175.30 175.24 2diq s ILE 103 N 2.18 2.13 -0.05 1.52 1.01 -1.26 -5.11 121.20 121.61 2diq s ILE 103 Ca 0.18 -0.93 -0.26 0.00 0.00 0.00 0.00 60.65 59.64 2diq s ILE 103 Cb -0.16 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 2diq s ILE 103 CO 0.10 0.54 0.80 0.00 0.00 0.00 0.00 174.94 176.37 2diq s ALA 104 N 1.08 3.30 0.27 9.38 0.00 -1.26 -5.06 121.76 129.47 2diq s ALA 104 Ca -0.00 0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.24 2diq s ALA 104 Cb -0.14 -3.09 -0.06 0.00 0.00 0.00 0.00 23.12 19.83 2diq s ALA 104 CO -0.08 -0.18 0.02 -1.54 0.00 0.00 0.00 175.76 173.98 2diq s SER 105 N 0.89 2.06 0.00 0.00 1.04 -1.26 -5.10 113.70 111.33 2diq s SER 105 Ca 0.42 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.56 2diq s SER 105 Cb -0.19 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.91 2diq s SER 105 CO 0.21 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2diq n GLY 106 N -0.54 -0.93 0.22 7.32 0.00 -1.26 -4.85 105.19 105.14 2diq n GLY 106 Ca -0.03 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 2diq n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2diq h PRO 107 N 0.00 0.73 -6.92 1.61 0.13 -2.07 -3.46 132.00 122.02 2diq h PRO 107 Ca 0.00 -0.39 -0.58 0.00 -0.87 0.00 0.00 66.00 64.16 2diq h PRO 107 Cb 0.00 0.02 -0.27 0.00 0.13 0.00 0.00 31.00 30.87 2diq h PRO 107 CO 0.00 1.01 -0.86 -1.13 -0.23 0.00 0.00 178.00 176.78 2diq n SER 108 N -4.24 -2.68 -3.98 1.44 3.41 -1.26 -4.90 113.62 101.40 2diq n SER 108 Ca -0.04 -1.10 -0.10 0.00 -0.26 0.00 0.00 58.87 57.38 2diq n SER 108 Cb 0.48 -2.33 -0.07 0.00 -0.26 0.00 0.00 64.21 62.04 2diq n SER 108 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2diq s SER 109 N -3.31 0.03 0.00 4.04 1.04 -1.26 -5.28 113.70 108.96 2diq s SER 109 Ca 0.76 -0.92 0.06 0.00 0.48 0.00 0.00 55.95 56.33 2diq s SER 109 Cb -0.43 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.19 2diq s SER 109 CO 0.97 -0.92 0.69 0.61 0.98 0.00 0.00 173.24 175.57