#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 7.16 -0.14 1.61 1.04 -1.26 -5.03 113.70 117.08 2diq s SER 2 Ca 0.00 1.42 -0.16 0.00 0.48 0.00 0.00 55.95 57.69 2diq s SER 2 Cb 0.00 -2.52 0.04 0.00 0.10 0.00 0.00 66.02 63.64 2diq s SER 2 CO 0.00 -0.42 0.44 -0.55 0.98 0.00 0.00 173.24 173.68 2diq s SER 3 N 1.10 -0.43 0.00 7.02 0.15 -1.26 -5.16 113.70 115.12 2diq s SER 3 Ca 0.45 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.87 2diq s SER 3 Cb -0.18 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2diq s SER 3 CO 0.16 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2diq n GLY 4 N 2.50 1.21 3.07 9.45 0.00 -1.26 -5.06 105.19 115.09 2diq n GLY 4 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.10 5.05 -0.08 1.61 0.01 -1.26 -4.94 113.70 113.99 2diq s SER 5 Ca 0.00 -2.86 -0.00 0.00 1.31 0.00 0.00 55.95 54.40 2diq s SER 5 Cb 0.00 -1.81 -0.00 0.00 0.21 0.00 0.00 66.02 64.42 2diq s SER 5 CO 0.00 -0.35 0.02 0.28 0.41 0.00 0.00 173.24 173.60 2diq h SER 6 N 6.96 -0.01 -3.71 2.44 0.02 -2.05 -3.51 113.55 113.69 2diq h SER 6 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2diq h SER 6 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.49 2diq h SER 6 CO 0.71 0.39 0.00 0.61 -1.14 0.00 0.00 176.83 177.40 2diq n GLY 7 N 1.78 -1.32 3.53 -3.77 0.00 -1.26 -5.13 105.19 99.02 2diq n GLY 7 Ca -0.00 -1.38 -0.08 0.00 0.00 0.00 0.00 46.02 44.56 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 -4.66 0.70 0.19 1.61 3.52 -1.26 -5.15 118.95 113.90 2diq s ARG 8 Ca 0.00 -0.23 0.04 0.00 -0.13 0.00 0.00 55.73 55.41 2diq s ARG 8 Cb 0.00 0.32 -0.03 0.00 -1.56 0.00 0.00 34.95 33.68 2diq s ARG 8 CO 0.00 -0.30 0.30 -1.12 -0.81 0.00 0.00 175.30 173.37 2diq s SER 9 N -2.32 6.22 0.05 -2.12 0.01 -1.26 -4.98 113.70 109.29 2diq s SER 9 Ca 0.05 0.08 -0.23 0.00 1.31 0.00 0.00 55.95 57.16 2diq s SER 9 Cb -0.01 -1.82 -0.15 0.00 0.21 0.00 0.00 66.02 64.25 2diq s SER 9 CO -0.07 -0.00 1.49 -0.07 0.41 0.00 0.00 173.24 174.99 2diq h LEU 10 N 1.71 0.13 -1.11 2.44 3.38 -2.02 -0.06 115.31 119.78 2diq h LEU 10 Ca -0.50 -0.28 0.16 0.00 0.09 0.00 0.00 57.88 57.35 2diq h LEU 10 Cb 1.21 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.84 2diq h LEU 10 CO 0.64 0.38 0.61 1.56 0.09 0.00 0.00 178.44 181.73 2diq h GLN 11 N -0.12 0.78 0.05 1.13 4.20 -1.99 0.80 115.11 119.96 2diq h GLN 11 Ca 0.02 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2diq h GLN 11 Cb 0.31 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2diq h GLN 11 CO 0.00 0.51 -0.03 1.25 -0.67 0.00 0.00 178.83 179.90 2diq h LEU 12 N 0.80 -0.06 -0.99 1.46 5.85 -1.94 -2.88 115.31 117.56 2diq h LEU 12 Ca 0.52 0.00 0.34 0.00 0.84 0.00 0.00 57.88 59.58 2diq h LEU 12 Cb 0.75 0.02 -0.17 0.00 0.37 0.00 0.00 40.66 41.63 2diq h LEU 12 CO -0.29 0.06 0.33 -0.78 -0.34 0.00 0.00 178.44 177.42 2diq h ASP 13 N -0.27 0.03 -0.65 1.25 1.82 -0.94 1.05 116.42 118.70 2diq h ASP 13 Ca -0.01 0.25 -0.03 0.00 -0.39 0.00 0.00 57.03 56.86 2diq h ASP 13 Cb 0.05 0.33 -0.03 0.00 0.68 0.00 0.00 39.33 40.37 2diq h ASP 13 CO 0.01 -0.35 0.28 0.50 -1.61 0.00 0.00 179.24 178.07 2diq h LYS 14 N 0.05 0.96 -0.38 0.28 3.11 -0.95 -2.52 116.57 117.12 2diq h LYS 14 Ca 0.72 -0.16 -0.06 0.00 -2.81 0.00 0.00 60.65 58.34 2diq h LYS 14 Cb 1.73 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 32.78 2diq h LYS 14 CO -0.80 0.79 0.00 1.25 -2.81 0.00 0.00 179.45 177.88 2diq h LEU 15 N 0.91 0.66 -0.93 5.20 5.85 0.13 -2.12 115.31 125.00 2diq h LEU 15 Ca 0.22 -0.30 0.11 0.00 0.84 0.00 0.00 57.88 58.74 2diq h LEU 15 Cb 0.17 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 40.94 2diq h LEU 15 CO -0.02 0.80 0.56 0.58 -0.34 0.00 0.00 178.44 180.02 2diq h VAL 16 N 0.49 0.91 -0.13 1.05 2.07 -0.78 -0.35 116.25 119.52 2diq h VAL 16 Ca 0.11 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 2diq h VAL 16 Cb 0.46 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2diq h VAL 16 CO 0.02 0.17 -0.09 -1.13 0.02 0.00 0.00 177.57 176.55 2diq h ASN 17 N 0.91 0.31 -0.24 0.57 -0.73 -1.30 -2.37 115.58 112.73 2diq h ASN 17 Ca 0.46 -0.45 0.04 0.00 1.87 0.00 0.00 56.30 58.22 2diq h ASN 17 Cb 0.43 -0.09 -0.04 0.00 0.27 0.00 0.00 38.32 38.90 2diq h ASN 17 CO -0.26 0.69 -0.03 -0.33 -0.37 0.00 0.00 177.43 177.13 2diq h GLU 18 N -0.07 0.04 0.55 6.67 4.39 -0.76 -0.95 114.58 124.45 2diq h GLU 18 Ca 0.03 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2diq h GLU 18 Cb 0.59 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2diq h GLU 18 CO 0.02 0.03 -0.39 0.52 -1.16 0.00 0.00 179.01 178.04 2diq h MET 19 N 0.04 -0.87 0.00 2.33 2.86 -1.11 -2.72 114.93 115.46 2diq h MET 19 Ca 0.11 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2diq h MET 19 Cb 0.16 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2diq h MET 19 CO -0.21 -0.58 0.00 2.41 1.06 0.00 0.00 176.91 179.58 2diq n THR 20 N -5.51 0.00 -0.48 2.22 -1.04 -0.90 -0.05 114.28 108.53 2diq n THR 20 Ca -0.12 1.45 0.37 0.00 -2.04 0.00 0.00 64.05 63.71 2diq n THR 20 Cb 0.40 -2.22 0.59 0.00 -1.82 0.00 0.00 70.33 67.28 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 -2.28 -0.01 -0.02 -2.82 1.13 -0.38 0.15 117.38 113.16 2diq n GLN 21 Ca 0.00 0.86 -0.00 0.00 -1.94 0.00 0.00 57.00 55.92 2diq n GLN 21 Cb 0.00 -1.89 -0.00 0.00 0.11 0.00 0.00 30.24 28.46 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 0.32 1.08 2.76 -0.84 -3.37 115.15 115.10 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 2.63 0.00 0.00 0.00 1.55 0.00 0.00 27.41 31.60 2diq h HIS 22 CO -0.00 0.00 -0.16 1.88 -1.30 0.00 0.00 177.93 178.35 2diq h TYR 23 N -0.28 -0.40 -0.88 5.26 0.05 0.18 -2.62 116.97 118.28 2diq h TYR 23 Ca 0.00 -0.01 0.31 0.00 0.05 0.00 0.00 58.73 59.08 2diq h TYR 23 Cb 0.03 0.13 -0.09 0.00 1.01 0.00 0.00 36.73 37.81 2diq h TYR 23 CO -0.01 -0.25 0.56 -0.85 -1.05 0.00 0.00 178.16 176.56 2diq n GLU 24 N -5.28 -0.02 -2.75 4.88 0.28 0.40 0.12 120.64 118.27 2diq n GLU 24 Ca -0.10 0.81 -0.31 0.00 -0.16 0.00 0.00 57.16 57.40 2diq n GLU 24 Cb 0.19 -1.59 -0.02 0.00 1.43 0.00 0.00 31.44 31.45 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 5.45 -2.59 -1.84 3.02 -0.99 -5.01 115.26 109.32 2diq n ASN 25 Ca 0.26 -3.70 -0.13 0.00 -0.03 0.00 0.00 54.58 50.98 2diq n ASN 25 Cb 1.01 -0.74 -0.04 0.00 -0.61 0.00 0.00 39.78 39.39 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 -0.24 -0.72 -4.77 6.41 3.41 0.33 -4.98 113.62 113.06 2diq n SER 26 Ca 0.37 -2.54 -0.28 0.00 -0.26 0.00 0.00 58.87 56.16 2diq n SER 26 Cb 0.38 1.50 -0.06 0.00 -0.26 0.00 0.00 64.21 65.76 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 -2.89 4.42 -0.33 -3.33 -7.23 -1.26 -5.06 120.40 104.71 2diq s VAL 27 Ca 0.26 -0.97 -0.29 0.00 -1.81 0.00 0.00 61.98 59.18 2diq s VAL 27 Cb 0.01 -3.19 -0.01 0.00 0.56 0.00 0.00 36.38 33.75 2diq s VAL 27 CO 0.19 0.01 1.69 -2.16 -0.31 0.00 0.00 175.10 174.51 2diq s PRO 28 N -2.73 3.46 -0.10 4.82 0.04 -1.26 -4.98 135.00 134.24 2diq s PRO 28 Ca 0.30 1.36 -0.22 0.00 0.04 0.00 0.00 61.00 62.47 2diq s PRO 28 Cb -0.11 -4.14 -0.03 0.00 0.04 0.00 0.00 34.50 30.26 2diq s PRO 28 CO 0.22 -1.71 0.67 -1.21 0.04 0.00 0.00 177.00 175.00 2diq s GLU 29 N 5.36 4.39 -0.84 4.56 0.41 -1.26 -5.01 118.70 126.31 2diq s GLU 29 Ca 0.75 0.79 -0.20 0.00 -0.41 0.00 0.00 54.97 55.90 2diq s GLU 29 Cb -0.21 -3.47 0.11 0.00 -1.78 0.00 0.00 34.13 28.78 2diq s GLU 29 CO 0.33 0.02 1.08 -0.51 -0.49 0.00 0.00 175.26 175.69 2diq s ASP 30 N 0.84 6.47 0.09 -0.19 1.11 -1.26 -4.71 116.67 119.02 2diq s ASP 30 Ca 0.35 -1.68 0.10 0.00 0.18 0.00 0.00 52.55 51.50 2diq s ASP 30 Cb -0.17 -2.41 -0.03 0.00 1.07 0.00 0.00 42.92 41.38 2diq s ASP 30 CO 0.16 -1.20 -0.26 -1.48 1.18 0.00 0.00 175.17 173.56 2diq s LEU 31 N 3.20 2.27 -0.48 1.23 2.34 -1.26 -5.10 118.68 120.88 2diq s LEU 31 Ca 0.29 -0.67 -0.27 0.00 0.06 0.00 0.00 54.13 53.55 2diq s LEU 31 Cb -0.09 -1.26 0.03 0.00 -0.56 0.00 0.00 46.19 44.31 2diq s LEU 31 CO -0.03 0.22 1.02 -0.89 -1.06 0.00 0.00 176.35 175.61 2diq s THR 32 N -0.95 4.34 -0.09 5.48 2.01 -1.26 -5.02 115.64 120.16 2diq s THR 32 Ca 0.13 0.92 0.04 0.00 0.31 0.00 0.00 61.69 63.09 2diq s THR 32 Cb -0.10 -4.52 -0.00 0.00 0.01 0.00 0.00 72.50 67.89 2diq s THR 32 CO 0.04 -0.94 -0.23 0.54 -0.69 0.00 0.00 174.62 173.34 2diq s VAL 33 N 4.09 2.17 0.16 3.82 0.11 -1.26 -5.13 120.40 124.36 2diq s VAL 33 Ca 0.41 -0.99 0.10 0.00 -2.93 0.00 0.00 61.98 58.57 2diq s VAL 33 Cb -0.09 -1.82 -0.04 0.00 -1.53 0.00 0.00 36.38 32.90 2diq s VAL 33 CO 0.28 0.56 -0.22 -1.00 -3.33 0.00 0.00 175.10 171.39 2diq s HIS 34 N 0.19 2.39 -0.49 1.54 3.76 -1.26 -5.03 115.29 116.39 2diq s HIS 34 Ca -0.14 -0.33 -0.45 0.00 -0.15 0.00 0.00 55.06 54.00 2diq s HIS 34 Cb -0.17 -1.23 -0.19 0.00 1.11 0.00 0.00 32.58 32.11 2diq s HIS 34 CO 0.07 0.44 1.92 1.55 -0.85 0.00 0.00 174.74 177.87 2diq n VAL 35 N 0.51 0.02 0.00 -0.90 3.14 -1.26 -1.29 118.33 118.55 2diq n VAL 35 Ca -0.14 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 2diq n VAL 35 Cb 0.54 -0.56 0.00 0.00 -1.06 0.00 0.00 33.84 32.76 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 6.01 0.90 3.82 7.55 0.00 0.21 -4.91 105.19 118.77 2diq n GLY 36 Ca 0.44 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.67 5.61 -0.09 1.61 1.01 -0.41 -4.78 116.67 118.95 2diq s ASP 37 Ca 0.00 1.65 -0.01 0.00 0.71 0.00 0.00 52.55 54.90 2diq s ASP 37 Cb 0.00 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 2diq s ASP 37 CO 0.00 -1.29 -0.03 -0.63 0.21 0.00 0.00 175.17 173.43 2diq s ILE 38 N -2.89 4.00 0.36 0.77 -1.09 -1.26 -2.24 121.20 118.85 2diq s ILE 38 Ca 0.59 -0.36 -0.10 0.00 -2.23 0.00 0.00 60.65 58.56 2diq s ILE 38 Cb -0.14 -2.67 0.03 0.00 -1.58 0.00 0.00 42.46 38.09 2diq s ILE 38 CO 0.49 0.58 0.64 0.68 -1.23 0.00 0.00 174.94 176.10 2diq s VAL 39 N -0.65 0.00 -0.04 2.92 -7.23 -1.16 -4.33 120.40 109.92 2diq s VAL 39 Ca 0.10 -1.29 0.02 0.00 -1.81 0.00 0.00 61.98 59.00 2diq s VAL 39 Cb -0.12 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 2diq s VAL 39 CO 0.02 0.00 -0.07 0.00 -0.31 0.00 0.00 175.10 174.74 2diq s ALA 40 N -2.72 3.00 -0.11 1.32 0.00 0.12 -2.76 121.76 120.61 2diq s ALA 40 Ca 0.23 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 2diq s ALA 40 Cb -0.03 -1.19 0.03 0.00 0.00 0.00 0.00 23.12 21.93 2diq s ALA 40 CO 0.15 0.59 0.31 0.00 0.00 0.00 0.00 175.76 176.82 2diq s ALA 41 N -0.89 -0.77 0.75 0.00 0.00 -1.04 -0.99 121.76 118.81 2diq s ALA 41 Ca 0.14 0.86 -0.11 0.00 0.00 0.00 0.00 51.96 52.85 2diq s ALA 41 Cb -0.11 -0.49 0.05 0.00 0.00 0.00 0.00 23.12 22.57 2diq s ALA 41 CO 0.04 -0.15 1.10 -1.25 0.00 0.00 0.00 175.76 175.49 2diq s PRO 42 N 0.10 2.36 -0.22 0.00 0.04 -1.26 -1.19 135.00 134.83 2diq s PRO 42 Ca -0.01 1.22 -0.04 0.00 0.04 0.00 0.00 61.00 62.21 2diq s PRO 42 Cb -0.02 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 2diq s PRO 42 CO 0.01 -1.57 -0.03 -1.17 0.04 0.00 0.00 177.00 174.27 2diq s LEU 43 N -5.71 2.96 0.26 -3.56 2.96 0.11 -4.86 118.68 110.83 2diq s LEU 43 Ca 0.62 -0.36 0.24 0.00 -0.22 0.00 0.00 54.13 54.41 2diq s LEU 43 Cb -0.18 -1.75 0.99 0.00 0.50 0.00 0.00 46.19 45.75 2diq s LEU 43 CO 0.53 -0.01 1.71 -0.81 -1.32 0.00 0.00 176.35 176.46 2diq n PRO 44 N 4.70 0.20 -0.12 0.98 -0.04 -1.26 0.17 135.00 139.63 2diq n PRO 44 Ca -0.18 0.43 -0.27 0.00 -0.04 0.00 0.00 63.50 63.45 2diq n PRO 44 Cb 0.51 -1.88 -0.11 0.00 -0.04 0.00 0.00 33.50 31.98 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 -2.25 1.54 0.00 0.52 -2.24 -1.26 -4.65 114.28 105.94 2diq n THR 45 Ca 0.02 -0.29 -0.19 0.00 -2.27 0.00 0.00 64.05 61.32 2diq n THR 45 Cb 0.23 -1.90 -0.14 0.00 -2.10 0.00 0.00 70.33 66.41 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 -4.23 1.91 -0.55 3.42 5.15 -1.22 -5.03 115.26 114.71 2diq n ASN 46 Ca -0.47 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 53.77 2diq n ASN 46 Cb 0.83 -0.73 0.00 0.00 -0.53 0.00 0.00 39.78 39.35 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 1.91 0.57 3.40 8.20 0.00 0.45 -5.00 105.19 114.72 2diq n GLY 47 Ca -0.29 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.31 -0.48 0.22 1.61 0.01 -1.23 -4.81 113.70 106.71 2diq s SER 48 Ca 0.00 0.07 -0.28 0.00 1.31 0.00 0.00 55.95 57.05 2diq s SER 48 Cb 0.00 0.54 -0.09 0.00 0.21 0.00 0.00 66.02 66.68 2diq s SER 48 CO 0.00 -0.84 0.88 0.26 0.41 0.00 0.00 173.24 173.96 2diq s TRP 49 N -3.11 3.94 0.16 2.43 0.52 -1.26 0.04 118.94 121.65 2diq s TRP 49 Ca -0.02 1.81 0.00 0.00 0.02 0.00 0.00 56.10 57.91 2diq s TRP 49 Cb -0.00 -2.90 -0.04 0.00 -1.15 0.00 0.00 33.47 29.37 2diq s TRP 49 CO -0.07 0.46 0.05 0.71 0.02 0.00 0.00 176.95 178.11 2diq s TYR 50 N -1.21 1.03 -0.42 -1.98 2.02 -0.33 -4.64 117.35 111.82 2diq s TYR 50 Ca 0.40 -1.17 -0.22 0.00 -0.37 0.00 0.00 57.07 55.71 2diq s TYR 50 Cb -0.24 -0.58 0.02 0.00 -0.40 0.00 0.00 41.96 40.75 2diq s TYR 50 CO 0.29 -0.42 0.74 1.03 -1.57 0.00 0.00 175.55 175.63 2diq s ARG 51 N -4.01 3.47 0.18 -0.62 0.52 -1.26 -2.50 118.95 114.73 2diq s ARG 51 Ca 0.26 -0.06 0.08 0.00 -0.52 0.00 0.00 55.73 55.48 2diq s ARG 51 Cb 0.07 -3.90 -0.04 0.00 0.52 0.00 0.00 34.95 31.59 2diq s ARG 51 CO 0.04 -1.01 -0.16 0.00 0.02 0.00 0.00 175.30 174.19 2diq s ALA 52 N 3.10 1.94 -0.19 2.13 0.00 -1.11 -1.97 121.76 125.66 2diq s ALA 52 Ca 0.28 -1.55 -0.05 0.00 0.00 0.00 0.00 51.96 50.64 2diq s ALA 52 Cb -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2diq s ALA 52 CO 0.20 0.13 -0.00 0.50 0.00 0.00 0.00 175.76 176.59 2diq s ARG 53 N -3.22 3.63 0.22 0.00 3.52 0.22 -2.96 118.95 120.34 2diq s ARG 53 Ca 0.18 -0.52 -0.31 0.00 -0.13 0.00 0.00 55.73 54.95 2diq s ARG 53 Cb -0.03 -3.06 -0.11 0.00 -1.56 0.00 0.00 34.95 30.19 2diq s ARG 53 CO 0.06 0.04 1.60 0.08 -0.81 0.00 0.00 175.30 176.27 2diq s VAL 54 N 0.92 2.35 -0.15 7.11 1.01 -0.95 0.17 120.40 130.85 2diq s VAL 54 Ca 0.01 0.26 0.10 0.00 0.00 0.00 0.00 61.98 62.36 2diq s VAL 54 Cb -0.14 -3.17 -0.15 0.00 0.00 0.00 0.00 36.38 32.92 2diq s VAL 54 CO 0.02 0.03 0.28 0.18 0.00 0.00 0.00 175.10 175.61 2diq n LEU 55 N 3.37 0.14 0.00 3.92 4.77 0.20 0.63 117.00 130.03 2diq n LEU 55 Ca 0.12 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 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 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 2diq n GLY 56 N 1.72 -0.17 3.00 -0.72 0.00 -1.25 -4.67 105.19 103.09 2diq n GLY 56 Ca -0.01 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 2diq n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2diq s THR 57 N 0.00 0.08 0.70 2.61 2.01 -1.26 -3.79 115.64 115.99 2diq s THR 57 Ca 0.00 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.36 2diq s THR 57 Cb 0.00 -0.26 0.12 0.00 0.01 0.00 0.00 72.50 72.37 2diq s THR 57 CO 0.00 -0.36 0.96 -0.76 -0.69 0.00 0.00 174.62 173.77 2diq s LEU 58 N -1.10 3.00 0.27 4.42 1.43 0.05 -4.82 118.68 121.93 2diq s LEU 58 Ca -0.12 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 52.60 2diq s LEU 58 Cb -0.07 -1.92 0.38 0.00 0.03 0.00 0.00 46.19 44.60 2diq s LEU 58 CO -0.00 -1.78 1.64 -0.08 0.23 0.00 0.00 176.35 176.36 2diq h GLU 59 N -0.42 0.21 0.01 1.70 4.81 -2.02 -3.12 114.58 115.75 2diq h GLU 59 Ca -0.35 -0.12 -0.25 0.00 -0.13 0.00 0.00 59.36 58.50 2diq h GLU 59 Cb 1.27 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.67 2diq h GLU 59 CO 0.40 0.67 -1.01 -2.95 -0.73 0.00 0.00 179.01 175.38 2diq h ASN 60 N 0.17 0.75 0.00 1.04 -1.07 -2.06 -3.48 115.58 110.93 2diq h ASN 60 Ca 0.01 -0.61 0.00 0.00 0.07 0.00 0.00 56.30 55.77 2diq h ASN 60 Cb 0.94 -0.23 0.00 0.00 -2.07 0.00 0.00 38.32 36.96 2diq h ASN 60 CO 0.08 1.41 0.00 0.61 0.07 0.00 0.00 177.43 179.60 2diq n GLY 61 N 1.04 1.99 3.30 9.14 0.00 -1.18 -5.14 105.19 114.35 2diq n GLY 61 Ca -0.09 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.43 -4.40 1.61 4.13 -1.26 -4.43 115.26 108.48 2diq n ASN 62 Ca 0.00 -0.23 -0.34 0.00 1.68 0.00 0.00 54.58 55.69 2diq n ASN 62 Cb 0.00 -1.02 -0.13 0.00 -1.54 0.00 0.00 39.78 37.09 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 -3.27 3.02 -0.68 3.41 1.43 -1.04 -0.77 118.68 120.78 2diq s LEU 63 Ca 0.59 -0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 53.16 2diq s LEU 63 Cb -0.15 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 2diq s LEU 63 CO 0.63 0.09 1.77 -0.62 0.23 0.00 0.00 176.35 178.45 2diq s ASP 64 N 0.81 5.43 0.25 2.29 2.15 -1.25 -3.43 116.67 122.92 2diq s ASP 64 Ca -0.02 0.04 -0.07 0.00 0.43 0.00 0.00 52.55 52.94 2diq s ASP 64 Cb -0.15 -2.54 -0.06 0.00 -0.30 0.00 0.00 42.92 39.87 2diq s ASP 64 CO 0.02 -2.31 0.54 -0.76 -0.17 0.00 0.00 175.17 172.48 2diq s LEU 65 N 8.54 4.12 -0.31 -1.34 1.43 0.12 0.61 118.68 131.85 2diq s LEU 65 Ca 0.62 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 54.52 2diq s LEU 65 Cb -0.11 -3.57 0.08 0.00 0.03 0.00 0.00 46.19 42.62 2diq s LEU 65 CO 0.16 -0.13 -0.01 -0.47 0.23 0.00 0.00 176.35 176.14 2diq s TYR 66 N -1.95 3.47 -0.55 0.29 5.04 0.44 -0.40 117.35 123.69 2diq s TYR 66 Ca 0.45 -2.51 -0.27 0.00 -2.44 0.00 0.00 57.07 52.30 2diq s TYR 66 Cb -0.11 -2.42 -0.09 0.00 0.35 0.00 0.00 41.96 39.69 2diq s TYR 66 CO 0.26 -0.90 2.45 1.19 -1.34 0.00 0.00 175.55 177.21 2diq n PHE 67 N 4.41 1.33 0.18 4.97 3.01 0.95 0.69 117.46 133.01 2diq n PHE 67 Ca -0.07 0.15 0.05 0.00 1.01 0.00 0.00 57.45 58.60 2diq n PHE 67 Cb 0.42 -2.61 0.33 0.00 -0.01 0.00 0.00 39.48 37.61 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 7.74 0.92 -0.08 -4.37 -1.51 -1.63 1.75 116.25 119.08 2diq h VAL 68 Ca -0.22 -1.55 -0.14 0.00 -1.23 0.00 0.00 66.70 63.56 2diq h VAL 68 Cb 1.27 1.94 0.01 0.00 -2.13 0.00 0.00 31.29 32.38 2diq h VAL 68 CO 1.19 0.38 -0.48 0.44 -1.23 0.00 0.00 177.57 177.87 2diq h ASP 69 N 0.00 0.56 0.00 4.19 3.32 -1.76 1.87 116.42 124.60 2diq h ASP 69 Ca -0.00 -0.66 -0.37 0.00 0.02 0.00 0.00 57.03 56.01 2diq h ASP 69 Cb 0.91 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 40.23 2diq h ASP 69 CO 0.05 1.13 -2.14 0.49 -1.72 0.00 0.00 179.24 177.05 2diq n PHE 70 N -4.27 0.18 0.00 4.55 3.01 -1.20 -2.08 117.46 117.65 2diq n PHE 70 Ca -0.08 0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2diq n PHE 70 Cb 0.59 -0.96 0.00 0.00 -0.01 0.00 0.00 39.48 39.10 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 1.31 1.62 3.38 1.37 0.00 0.60 -4.67 105.19 108.80 2diq n GLY 71 Ca -0.46 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 2diq n GLY 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2diq s ASP 72 N -0.46 -0.49 -0.03 1.61 2.15 -1.25 -4.46 116.67 113.74 2diq s ASP 72 Ca 0.00 0.88 0.06 0.00 0.43 0.00 0.00 52.55 53.92 2diq s ASP 72 Cb 0.00 -1.26 -0.02 0.00 -0.30 0.00 0.00 42.92 41.34 2diq s ASP 72 CO 0.00 -5.02 -0.21 0.20 -0.17 0.00 0.00 175.17 169.98 2diq s ASN 73 N -3.23 3.51 0.28 -0.34 -0.87 -1.26 -0.03 114.94 112.99 2diq s ASN 73 Ca 0.69 -0.36 0.06 0.00 -1.57 0.00 0.00 52.86 51.68 2diq s ASN 73 Cb -0.14 -0.57 -0.06 0.00 -0.02 0.00 0.00 41.25 40.47 2diq s ASN 73 CO 0.58 0.33 -0.03 -0.83 -2.57 0.00 0.00 177.10 174.58 2diq s GLY 74 N -0.73 1.82 -0.02 0.66 0.00 0.46 -4.92 107.32 104.59 2diq s GLY 74 Ca 0.11 -1.90 0.03 0.00 0.00 0.00 0.00 44.72 42.96 2diq s GLY 74 CO 0.00 -1.81 -0.10 0.51 0.00 0.00 0.00 173.10 171.71 2diq s ASP 75 N -3.43 1.20 -0.24 1.64 -4.77 -1.26 0.12 116.67 109.94 2diq s ASP 75 Ca 0.30 -0.19 -0.27 0.00 -3.30 0.00 0.00 52.55 49.10 2diq s ASP 75 Cb 0.05 -0.21 0.13 0.00 -1.09 0.00 0.00 42.92 41.80 2diq s ASP 75 CO 0.12 0.10 1.03 0.00 0.70 0.00 0.00 175.17 177.12 2diq s PRO 77 N -0.26 4.42 0.31 0.00 0.04 -1.26 -2.50 135.00 135.75 2diq s PRO 77 Ca 0.02 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.15 2diq s PRO 77 Cb -0.03 -3.16 0.83 0.00 0.04 0.00 0.00 34.50 32.17 2diq s PRO 77 CO -0.04 -0.16 1.59 1.25 0.04 0.00 0.00 177.00 179.69 2diq h LEU 78 N 4.62 -0.24 -1.16 -3.56 6.46 -1.95 1.14 115.31 120.62 2diq h LEU 78 Ca -0.46 0.26 0.14 0.00 -0.12 0.00 0.00 57.88 57.69 2diq h LEU 78 Cb 1.22 0.40 -0.08 0.00 -0.73 0.00 0.00 40.66 41.47 2diq h LEU 78 CO 0.72 -0.32 0.60 0.07 -0.62 0.00 0.00 178.44 178.89 2diq h LYS 79 N 0.05 0.79 -0.85 1.25 5.09 -1.91 0.32 116.57 121.31 2diq h LYS 79 Ca 0.62 -0.05 -0.04 0.00 0.09 0.00 0.00 60.65 61.28 2diq h LYS 79 Cb 1.36 -0.18 -0.02 0.00 0.10 0.00 0.00 32.23 33.49 2diq h LYS 79 CO -0.83 0.52 0.05 -3.47 -2.09 0.00 0.00 179.45 173.63 2diq n ASP 80 N -4.60 3.13 -4.57 7.07 -0.08 0.39 -4.26 116.55 113.63 2diq n ASP 80 Ca 0.18 -2.46 -0.24 0.00 -1.51 0.00 0.00 54.79 50.76 2diq n ASP 80 Cb 0.44 -0.59 -0.09 0.00 2.34 0.00 0.00 41.12 43.22 2diq n ASP 80 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2diq s LEU 81 N -1.25 2.95 -0.02 -2.67 1.43 0.11 -4.27 118.68 114.96 2diq s LEU 81 Ca 0.24 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 2diq s LEU 81 Cb 0.19 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.93 2diq s LEU 81 CO 0.07 0.04 0.02 -0.13 0.23 0.00 0.00 176.35 176.57 2diq s ARG 82 N -3.43 0.08 -0.48 1.70 1.81 -0.16 -4.16 118.95 114.31 2diq s ARG 82 Ca 0.29 0.14 -0.26 0.00 -1.72 0.00 0.00 55.73 54.18 2diq s ARG 82 Cb -0.06 -0.32 -0.07 0.00 -0.45 0.00 0.00 34.95 34.04 2diq s ARG 82 CO 0.17 -0.15 2.41 0.00 -0.68 0.00 0.00 175.30 177.05 2diq n ALA 83 N 4.13 0.87 -1.69 2.13 0.00 -1.26 0.13 120.51 124.82 2diq n ALA 83 Ca -0.27 -0.85 -0.66 0.00 0.00 0.00 0.00 53.44 51.66 2diq n ALA 83 Cb 0.50 -3.15 -0.10 0.00 0.00 0.00 0.00 19.45 16.71 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 15.31 1.16 -4.73 0.00 7.94 -1.26 -4.85 117.00 130.58 2diq n LEU 84 Ca 0.37 1.14 -0.34 0.00 -1.11 0.00 0.00 56.01 56.08 2diq n LEU 84 Cb 0.52 -0.86 0.09 0.00 0.53 0.00 0.00 43.42 43.69 2diq n LEU 84 CO 0.71 -0.82 0.78 -0.13 -1.11 0.00 0.00 177.39 176.82 2diq s ARG 85 N 3.10 2.17 0.47 1.96 1.81 -1.26 -4.87 118.95 122.34 2diq s ARG 85 Ca 1.04 1.68 0.13 0.00 -1.72 0.00 0.00 55.73 56.85 2diq s ARG 85 Cb -1.47 -1.85 1.10 0.00 -0.45 0.00 0.00 34.95 32.28 2diq s ARG 85 CO 0.80 -1.79 2.11 1.03 -0.68 0.00 0.00 175.30 176.77 2diq h SER 86 N -0.36 0.20 0.67 0.23 0.87 -2.00 -0.27 113.55 112.89 2diq h SER 86 Ca -0.47 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.04 2diq h SER 86 Cb 1.28 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 2diq h SER 86 CO 0.50 0.14 -0.23 0.44 -0.53 0.00 0.00 176.83 177.15 2diq h ASP 87 N 0.23 0.00 0.64 6.23 3.32 -2.01 -2.16 116.42 122.68 2diq h ASP 87 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2diq h ASP 87 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2diq h ASP 87 CO -0.01 0.23 -0.37 0.49 -1.72 0.00 0.00 179.24 177.86 2diq n PHE 88 N -3.56 0.01 0.02 4.55 3.72 -0.14 -3.67 117.46 118.38 2diq n PHE 88 Ca -0.01 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 2diq n PHE 88 Cb 0.38 -0.32 -0.10 0.00 -0.94 0.00 0.00 39.48 38.50 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 -1.51 0.47 -0.56 4.37 4.77 -0.84 -4.25 117.00 119.46 2diq n LEU 89 Ca 0.06 0.20 0.45 0.00 -0.03 0.00 0.00 56.01 56.68 2diq n LEU 89 Cb 0.34 0.07 0.74 0.00 -2.33 0.00 0.00 43.42 42.24 2diq n LEU 89 CO 0.33 0.05 1.36 -1.28 -1.33 0.00 0.00 177.39 176.52 2diq h SER 90 N 0.00 0.10 -3.36 -1.43 0.87 -1.55 -3.37 113.55 104.82 2diq h SER 90 Ca -0.11 0.07 -0.56 0.00 -1.23 0.00 0.00 61.79 59.95 2diq h SER 90 Cb 1.32 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 63.30 2diq h SER 90 CO 0.02 -0.10 0.06 -0.22 -0.53 0.00 0.00 176.83 176.06 2diq s LEU 91 N -8.65 4.44 0.80 2.23 0.20 -1.26 -5.06 118.68 111.39 2diq s LEU 91 Ca -0.06 1.29 -0.11 0.00 0.69 0.00 0.00 54.13 55.94 2diq s LEU 91 Cb 0.28 -3.05 0.07 0.00 -0.43 0.00 0.00 46.19 43.06 2diq s LEU 91 CO 0.86 0.08 1.09 -2.16 -0.29 0.00 0.00 176.35 175.93 2diq s PRO 92 N -0.21 2.01 -0.38 0.98 0.04 -1.26 -4.93 135.00 131.25 2diq s PRO 92 Ca 0.34 1.09 -0.28 0.00 0.04 0.00 0.00 61.00 62.18 2diq s PRO 92 Cb -0.19 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 2diq s PRO 92 CO 0.20 -1.79 1.74 -0.06 0.04 0.00 0.00 177.00 177.12 2diq s PHE 93 N -2.91 1.89 0.11 0.56 0.08 -1.26 -4.88 117.98 111.57 2diq s PHE 93 Ca 0.62 0.65 -0.21 0.00 0.12 0.00 0.00 56.93 58.11 2diq s PHE 93 Cb -0.17 -4.16 -0.08 0.00 -0.57 0.00 0.00 43.02 38.04 2diq s PHE 93 CO 0.56 -2.70 1.73 1.96 -0.10 0.00 0.00 175.22 176.68 2diq h GLN 94 N 12.77 0.05 -4.30 0.44 1.08 -1.75 -3.35 115.11 120.04 2diq h GLN 94 Ca -0.32 -0.00 -0.74 0.00 -1.45 0.00 0.00 58.65 56.14 2diq h GLN 94 Cb 1.16 -0.01 -0.23 0.00 -0.05 0.00 0.00 27.48 28.35 2diq h GLN 94 CO 1.07 0.04 0.03 0.00 -0.95 0.00 0.00 178.83 179.01 2diq s ALA 95 N -6.19 3.64 0.29 3.87 0.00 0.63 -4.95 121.76 119.05 2diq s ALA 95 Ca -0.13 -2.61 -0.28 0.00 0.00 0.00 0.00 51.96 48.94 2diq s ALA 95 Cb 0.08 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 2diq s ALA 95 CO 0.68 -2.25 0.97 0.42 0.00 0.00 0.00 175.76 175.57 2diq s ILE 96 N 1.74 4.04 0.80 0.00 -1.09 -1.26 -4.38 121.20 121.05 2diq s ILE 96 Ca 0.11 1.87 -0.11 0.00 -2.23 0.00 0.00 60.65 60.29 2diq s ILE 96 Cb -0.22 -4.12 0.07 0.00 -1.58 0.00 0.00 42.46 36.61 2diq s ILE 96 CO 0.01 0.31 1.11 -1.83 -1.23 0.00 0.00 174.94 173.31 2diq s GLU 97 N -1.64 2.00 1.02 2.79 -1.05 -1.26 -5.03 118.70 115.54 2diq s GLU 97 Ca 0.46 1.28 -0.16 0.00 -0.15 0.00 0.00 54.97 56.41 2diq s GLU 97 Cb -0.23 -1.86 0.21 0.00 -0.44 0.00 0.00 34.13 31.80 2diq s GLU 97 CO 0.29 -1.85 1.19 0.00 0.95 0.00 0.00 175.26 175.84 2diq s SER 99 N -4.26 5.60 -0.01 0.00 1.04 -1.26 -5.04 113.70 109.77 2diq s SER 99 Ca 0.69 1.09 -0.07 0.00 0.48 0.00 0.00 55.95 58.15 2diq s SER 99 Cb -0.10 -1.97 -0.02 0.00 0.10 0.00 0.00 66.02 64.03 2diq s SER 99 CO 0.54 -1.21 -0.14 -0.11 0.98 0.00 0.00 173.24 173.30 2diq n LEU 100 N -2.88 1.44 -4.44 2.42 7.94 -1.26 -5.03 117.00 115.20 2diq n LEU 100 Ca 0.06 0.22 -0.51 0.00 -1.11 0.00 0.00 56.01 54.66 2diq n LEU 100 Cb 0.57 -0.50 -0.05 0.00 0.53 0.00 0.00 43.42 43.97 2diq n LEU 100 CO 0.57 -0.56 0.21 0.00 -1.11 0.00 0.00 177.39 176.49 2diq n ALA 101 N -3.88 -2.99 -2.46 1.96 0.00 -1.26 -4.96 120.51 106.92 2diq n ALA 101 Ca -0.06 0.49 -0.29 0.00 0.00 0.00 0.00 53.44 53.58 2diq n ALA 101 Cb 0.21 -1.68 -0.12 0.00 0.00 0.00 0.00 19.45 17.86 2diq n ALA 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2diq s ARG 102 N -0.68 1.66 -0.15 0.00 3.00 -1.26 -5.13 118.95 116.39 2diq s ARG 102 Ca 0.72 -1.26 -0.07 0.00 -1.00 0.00 0.00 55.73 54.13 2diq s ARG 102 Cb -1.03 -2.03 0.06 0.00 0.00 0.00 0.00 34.95 31.96 2diq s ARG 102 CO 0.56 0.46 0.33 0.96 0.00 0.00 0.00 175.30 177.62 2diq s ILE 103 N -1.19 -0.23 -0.04 4.11 -4.36 -1.26 -5.16 121.20 113.08 2diq s ILE 103 Ca 0.17 0.16 -0.04 0.00 -0.26 0.00 0.00 60.65 60.69 2diq s ILE 103 Cb -0.10 -0.52 0.01 0.00 1.25 0.00 0.00 42.46 43.10 2diq s ILE 103 CO 0.09 0.07 0.11 0.00 0.24 0.00 0.00 174.94 175.45 2diq s ALA 104 N 1.81 -0.28 -0.11 2.27 0.00 -1.26 -5.14 121.76 119.06 2diq s ALA 104 Ca -0.06 0.33 -0.25 0.00 0.00 0.00 0.00 51.96 51.98 2diq s ALA 104 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 2diq s ALA 104 CO -0.11 -0.06 0.80 0.45 0.00 0.00 0.00 175.76 176.85 2diq s SER 105 N 0.11 7.02 0.00 0.00 0.15 -1.26 -4.48 113.70 115.24 2diq s SER 105 Ca -0.00 1.25 0.00 0.00 0.70 0.00 0.00 55.95 57.89 2diq s SER 105 Cb -0.01 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2diq s SER 105 CO -0.00 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2diq n GLY 106 N 3.26 0.73 0.24 9.45 0.00 -1.26 -5.03 105.19 112.58 2diq n GLY 106 Ca 0.03 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 0.69 -6.80 1.61 0.13 -2.06 -3.45 132.00 122.12 2diq h PRO 107 Ca 0.00 -0.36 -0.48 0.00 -0.87 0.00 0.00 66.00 64.29 2diq h PRO 107 Cb 0.11 0.01 0.22 0.00 0.13 0.00 0.00 31.00 31.48 2diq h PRO 107 CO 0.00 0.98 -0.72 -1.13 -0.23 0.00 0.00 178.00 176.89 2diq n SER 108 N -4.03 -2.06 -3.82 1.44 3.41 -1.26 -5.04 113.62 102.26 2diq n SER 108 Ca -0.02 0.04 -0.09 0.00 -0.26 0.00 0.00 58.87 58.54 2diq n SER 108 Cb 0.54 -1.10 -0.06 0.00 -0.26 0.00 0.00 64.21 63.32 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 -2.01 0.01 0.00 4.04 1.04 -1.26 -5.21 113.70 110.31 2diq s SER 109 Ca 0.58 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.41 2diq s SER 109 Cb -0.17 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2diq s SER 109 CO 0.66 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.70