#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 4.02 -0.12 1.61 1.04 -1.26 -5.10 113.70 113.88 2diq s SER 2 Ca 0.00 -0.38 -0.19 0.00 0.48 0.00 0.00 55.95 55.86 2diq s SER 2 Cb 0.00 -1.64 0.05 0.00 0.10 0.00 0.00 66.02 64.52 2diq s SER 2 CO 0.00 0.08 0.48 -0.94 0.98 0.00 0.00 173.24 173.85 2diq s SER 3 N 0.84 -0.47 0.84 7.02 1.04 -1.26 -5.16 113.70 116.56 2diq s SER 3 Ca -0.03 0.74 -0.11 0.00 0.48 0.00 0.00 55.95 57.03 2diq s SER 3 Cb -0.15 0.78 0.10 0.00 0.10 0.00 0.00 66.02 66.85 2diq s SER 3 CO 0.00 -0.31 1.14 -0.83 0.98 0.00 0.00 173.24 174.22 2diq s GLY 4 N -0.35 1.78 -0.48 7.32 0.00 -1.26 -4.90 107.32 109.43 2diq s GLY 4 Ca -0.05 0.54 -0.03 0.00 0.00 0.00 0.00 44.72 45.17 2diq s GLY 4 CO 0.03 0.93 2.62 1.44 0.00 0.00 0.00 173.10 178.12 2diq n SER 5 N -3.79 6.60 -4.57 1.64 7.64 -1.26 -4.82 113.62 115.07 2diq n SER 5 Ca 0.11 -3.27 -0.41 0.00 1.01 0.00 0.00 58.87 56.31 2diq n SER 5 Cb 0.52 -1.20 -0.08 0.00 -1.01 0.00 0.00 64.21 62.45 2diq n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2diq s SER 6 N 0.15 6.35 0.38 6.43 1.04 -1.26 -4.90 113.70 121.89 2diq s SER 6 Ca 0.56 0.09 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2diq s SER 6 Cb 0.38 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 64.22 2diq s SER 6 CO -0.22 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.14 2diq n GLY 7 N 4.71 0.47 3.43 7.32 0.00 -1.26 -4.36 105.19 115.50 2diq n GLY 7 Ca -0.04 0.70 -0.31 0.00 0.00 0.00 0.00 46.02 46.38 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 2.02 0.11 1.61 3.52 -1.26 -5.14 118.95 119.81 2diq s ARG 8 Ca 0.00 -1.00 0.05 0.00 -0.13 0.00 0.00 55.73 54.65 2diq s ARG 8 Cb 0.00 -2.15 -0.04 0.00 -1.56 0.00 0.00 34.95 31.20 2diq s ARG 8 CO 0.00 0.54 0.02 -1.12 -0.81 0.00 0.00 175.30 173.93 2diq s SER 9 N -1.39 5.09 0.12 -2.12 0.01 -1.26 -5.02 113.70 109.13 2diq s SER 9 Ca 0.14 -0.18 -0.20 0.00 1.31 0.00 0.00 55.95 57.02 2diq s SER 9 Cb -0.10 -1.23 -0.07 0.00 0.21 0.00 0.00 66.02 64.83 2diq s SER 9 CO 0.05 0.15 1.77 -0.07 0.41 0.00 0.00 173.24 175.55 2diq h LEU 10 N 3.23 0.22 -0.96 2.44 3.38 -1.96 -0.75 115.31 120.92 2diq h LEU 10 Ca -0.47 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 57.66 2diq h LEU 10 Cb 1.17 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 2diq h LEU 10 CO 0.60 0.17 0.55 1.56 0.09 0.00 0.00 178.44 181.42 2diq h GLN 11 N 0.26 0.70 0.05 1.13 4.20 -1.98 0.20 115.11 119.66 2diq h GLN 11 Ca 0.07 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2diq h GLN 11 Cb -0.02 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.60 2diq h GLN 11 CO -0.01 0.47 -0.02 1.25 -0.67 0.00 0.00 178.83 179.84 2diq h LEU 12 N 0.72 -0.06 -1.23 1.46 5.85 -1.87 -2.53 115.31 117.67 2diq h LEU 12 Ca 0.54 0.00 0.40 0.00 0.84 0.00 0.00 57.88 59.66 2diq h LEU 12 Cb 0.81 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 41.71 2diq h LEU 12 CO -0.38 0.00 0.71 -0.78 -0.34 0.00 0.00 178.44 177.66 2diq h ASP 13 N -0.15 0.33 -0.32 1.25 1.82 -1.06 0.77 116.42 119.07 2diq h ASP 13 Ca -0.01 0.17 -0.05 0.00 -0.39 0.00 0.00 57.03 56.76 2diq h ASP 13 Cb 0.05 0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 2diq h ASP 13 CO 0.01 -0.21 0.00 0.50 -1.61 0.00 0.00 179.24 177.93 2diq h LYS 14 N 0.14 0.55 -0.62 0.28 3.11 -0.68 -2.41 116.57 116.94 2diq h LYS 14 Ca 0.80 -0.17 -0.08 0.00 -2.81 0.00 0.00 60.65 58.39 2diq h LYS 14 Cb 2.25 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 33.41 2diq h LYS 14 CO -0.53 0.69 0.09 1.25 -2.81 0.00 0.00 179.45 178.14 2diq h LEU 15 N 0.35 0.99 -0.20 5.20 5.85 0.91 -2.57 115.31 125.84 2diq h LEU 15 Ca 0.09 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.57 2diq h LEU 15 Cb 0.43 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2diq h LEU 15 CO 0.02 1.00 0.05 0.58 -0.34 0.00 0.00 178.44 179.75 2diq h VAL 16 N 0.94 0.92 -0.43 1.05 2.07 -0.89 -1.77 116.25 118.14 2diq h VAL 16 Ca 0.19 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.69 2diq h VAL 16 Cb 0.44 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2diq h VAL 16 CO 0.01 0.02 0.23 -1.13 0.02 0.00 0.00 177.57 176.73 2diq h ASN 17 N 0.13 0.36 0.45 0.57 -0.73 -1.34 -1.96 115.58 113.06 2diq h ASN 17 Ca 0.09 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.26 2diq h ASN 17 Cb 0.08 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 38.59 2diq h ASN 17 CO -0.11 0.26 -0.48 -0.33 -0.37 0.00 0.00 177.43 176.39 2diq h GLU 18 N 0.47 -0.91 0.01 6.67 4.39 -1.11 -0.73 114.58 123.36 2diq h GLU 18 Ca 0.18 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.94 2diq h GLU 18 Cb 0.05 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2diq h GLU 18 CO -0.10 -0.61 -0.10 0.52 -1.16 0.00 0.00 179.01 177.57 2diq h MET 19 N -0.94 -0.12 -0.21 2.33 2.86 -1.21 -2.35 114.93 115.30 2diq h MET 19 Ca -0.05 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2diq h MET 19 Cb 0.83 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 2diq h MET 19 CO -0.08 -0.08 -0.15 1.15 1.06 0.00 0.00 176.91 178.81 2diq h THR 20 N -0.12 0.00 -1.64 2.22 2.02 -1.36 0.74 112.91 114.76 2diq h THR 20 Ca 0.00 0.00 0.49 0.00 0.77 0.00 0.00 66.41 67.67 2diq h THR 20 Cb 0.13 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.46 2diq h THR 20 CO -0.06 0.00 1.16 0.00 0.37 0.00 0.00 175.52 176.99 2diq n GLN 21 N -3.52 -0.01 0.00 6.66 1.13 -0.28 0.97 117.38 122.33 2diq n GLN 21 Ca 0.00 0.99 0.00 0.00 -1.94 0.00 0.00 57.00 56.05 2diq n GLN 21 Cb 0.07 -2.21 0.00 0.00 0.11 0.00 0.00 30.24 28.21 2diq n GLN 21 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2diq n HIS 22 N -3.87 0.00 -0.21 1.08 -0.00 0.21 -4.36 115.22 108.06 2diq n HIS 22 Ca 0.39 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.56 2diq n HIS 22 Cb 1.71 -0.18 0.06 0.00 -0.12 0.00 0.00 29.99 31.45 2diq n HIS 22 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 2diq h TYR 23 N 0.00 -0.44 -0.82 1.57 0.05 0.33 0.58 116.97 118.24 2diq h TYR 23 Ca 0.00 0.06 0.32 0.00 0.05 0.00 0.00 58.73 59.16 2diq h TYR 23 Cb 0.00 0.29 -0.12 0.00 1.01 0.00 0.00 36.73 37.92 2diq h TYR 23 CO 0.00 -0.30 0.48 -0.85 -1.05 0.00 0.00 178.16 176.44 2diq n GLU 24 N -5.44 -0.04 -2.66 4.88 0.28 0.27 0.98 120.64 118.91 2diq n GLU 24 Ca 0.07 0.95 -0.34 0.00 -0.16 0.00 0.00 57.16 57.68 2diq n GLU 24 Cb 0.34 -1.77 -0.00 0.00 1.43 0.00 0.00 31.44 31.44 2diq n GLU 24 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2diq n ASN 25 N -4.42 5.97 -3.76 -1.84 0.23 0.20 -5.00 115.26 106.64 2diq n ASN 25 Ca 0.28 -3.71 -0.20 0.00 -0.53 0.00 0.00 54.58 50.42 2diq n ASN 25 Cb 1.00 -0.84 -0.09 0.00 -2.08 0.00 0.00 39.78 37.77 2diq n ASN 25 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2diq s SER 26 N -2.39 1.71 0.11 0.53 0.01 0.27 -5.01 113.70 108.92 2diq s SER 26 Ca 0.45 -1.65 0.02 0.00 1.31 0.00 0.00 55.95 56.08 2diq s SER 26 Cb 0.28 0.48 -0.04 0.00 0.21 0.00 0.00 66.02 66.95 2diq s SER 26 CO -0.17 -0.97 0.19 0.68 0.41 0.00 0.00 173.24 173.37 2diq s VAL 27 N -3.51 5.00 -0.45 3.43 -7.23 -1.26 -5.05 120.40 111.33 2diq s VAL 27 Ca 0.36 -0.70 -0.28 0.00 -1.81 0.00 0.00 61.98 59.56 2diq s VAL 27 Cb 0.04 -3.49 -0.01 0.00 0.56 0.00 0.00 36.38 33.47 2diq s VAL 27 CO 0.21 0.02 1.76 -2.16 -0.31 0.00 0.00 175.10 174.62 2diq s PRO 28 N -2.80 3.11 -0.09 4.82 0.04 -1.26 -4.98 135.00 133.84 2diq s PRO 28 Ca 0.33 1.05 -0.23 0.00 0.04 0.00 0.00 61.00 62.18 2diq s PRO 28 Cb -0.12 -4.24 -0.03 0.00 0.04 0.00 0.00 34.50 30.15 2diq s PRO 28 CO 0.26 -2.13 0.69 -1.21 0.04 0.00 0.00 177.00 174.65 2diq s GLU 29 N 6.05 4.39 -0.84 4.56 0.41 -1.26 -4.99 118.70 127.03 2diq s GLU 29 Ca 0.72 0.84 -0.20 0.00 -0.41 0.00 0.00 54.97 55.93 2diq s GLU 29 Cb -0.17 -3.47 0.11 0.00 -1.78 0.00 0.00 34.13 28.82 2diq s GLU 29 CO 0.29 -0.00 1.06 -0.51 -0.49 0.00 0.00 175.26 175.61 2diq s ASP 30 N 0.87 6.48 0.08 -0.19 1.11 -1.26 -4.68 116.67 119.08 2diq s ASP 30 Ca 0.36 -1.72 0.10 0.00 0.18 0.00 0.00 52.55 51.47 2diq s ASP 30 Cb -0.17 -2.40 -0.03 0.00 1.07 0.00 0.00 42.92 41.38 2diq s ASP 30 CO 0.16 -1.17 -0.25 -1.48 1.18 0.00 0.00 175.17 173.61 2diq s LEU 31 N 3.08 2.32 -0.47 1.23 2.34 -1.26 -5.10 118.68 120.82 2diq s LEU 31 Ca 0.29 -0.63 -0.25 0.00 0.06 0.00 0.00 54.13 53.59 2diq s LEU 31 Cb -0.09 -1.31 0.03 0.00 -0.56 0.00 0.00 46.19 44.26 2diq s LEU 31 CO -0.03 0.22 0.93 -0.89 -1.06 0.00 0.00 176.35 175.51 2diq s THR 32 N -0.95 4.46 -0.05 5.48 2.01 -1.26 -5.03 115.64 120.31 2diq s THR 32 Ca 0.13 0.69 0.05 0.00 0.31 0.00 0.00 61.69 62.87 2diq s THR 32 Cb -0.10 -4.45 -0.02 0.00 0.01 0.00 0.00 72.50 67.94 2diq s THR 32 CO 0.05 -0.87 -0.20 0.54 -0.69 0.00 0.00 174.62 173.45 2diq s VAL 33 N 3.78 2.54 0.15 3.82 0.11 -1.26 -5.13 120.40 124.41 2diq s VAL 33 Ca 0.36 -0.91 0.11 0.00 -2.93 0.00 0.00 61.98 58.61 2diq s VAL 33 Cb -0.10 -1.96 -0.04 0.00 -1.53 0.00 0.00 36.38 32.75 2diq s VAL 33 CO 0.26 0.58 -0.26 -1.00 -3.33 0.00 0.00 175.10 171.35 2diq s HIS 34 N -0.47 2.27 -0.47 1.54 3.76 -1.26 -5.04 115.29 115.62 2diq s HIS 34 Ca 0.06 -0.38 -0.44 0.00 -0.15 0.00 0.00 55.06 54.15 2diq s HIS 34 Cb -0.12 -1.20 -0.18 0.00 1.11 0.00 0.00 32.58 32.19 2diq s HIS 34 CO 0.01 0.38 1.97 1.55 -0.85 0.00 0.00 174.74 177.80 2diq n VAL 35 N 0.73 0.04 0.00 -0.90 3.14 -1.26 -1.45 118.33 118.64 2diq n VAL 35 Ca -0.17 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 2diq n VAL 35 Cb 0.54 -0.68 0.00 0.00 -1.06 0.00 0.00 33.84 32.64 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 6.21 1.27 3.91 7.55 0.00 0.14 -4.91 105.19 119.37 2diq n GLY 36 Ca 0.45 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.20 2diq n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2diq s ASP 37 N -1.47 6.38 -0.14 1.61 1.11 -0.53 -4.86 116.67 118.76 2diq s ASP 37 Ca 0.00 0.74 -0.04 0.00 0.18 0.00 0.00 52.55 53.43 2diq s ASP 37 Cb 0.00 -2.16 -0.03 0.00 1.07 0.00 0.00 42.92 41.80 2diq s ASP 37 CO 0.00 -0.32 -0.00 -0.63 1.18 0.00 0.00 175.17 175.39 2diq s ILE 38 N -2.31 4.22 0.12 0.77 -1.09 -1.26 -2.07 121.20 119.58 2diq s ILE 38 Ca 0.44 -0.25 -0.16 0.00 -2.23 0.00 0.00 60.65 58.46 2diq s ILE 38 Cb -0.10 -2.84 0.03 0.00 -1.58 0.00 0.00 42.46 37.97 2diq s ILE 38 CO 0.35 0.52 0.39 0.68 -1.23 0.00 0.00 174.94 175.64 2diq s VAL 39 N 0.03 0.07 0.02 2.92 -7.23 -1.09 -4.14 120.40 110.97 2diq s VAL 39 Ca 0.02 -0.60 -0.16 0.00 -1.81 0.00 0.00 61.98 59.44 2diq s VAL 39 Cb -0.13 -1.16 -0.06 0.00 0.56 0.00 0.00 36.38 35.59 2diq s VAL 39 CO 0.02 -0.33 0.44 0.00 -0.31 0.00 0.00 175.10 174.92 2diq s ALA 40 N -3.71 3.67 -0.09 1.32 0.00 0.86 -2.40 121.76 121.42 2diq s ALA 40 Ca 0.02 -0.16 -0.10 0.00 0.00 0.00 0.00 51.96 51.73 2diq s ALA 40 Cb 0.02 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.72 2diq s ALA 40 CO -0.11 0.46 0.26 0.00 0.00 0.00 0.00 175.76 176.38 2diq s ALA 41 N -1.08 -0.66 0.86 0.00 0.00 -1.02 -1.23 121.76 118.63 2diq s ALA 41 Ca 0.25 0.69 -0.11 0.00 0.00 0.00 0.00 51.96 52.78 2diq s ALA 41 Cb -0.17 -0.38 0.11 0.00 0.00 0.00 0.00 23.12 22.67 2diq s ALA 41 CO 0.15 -0.14 1.09 -1.25 0.00 0.00 0.00 175.76 175.61 2diq s PRO 42 N -0.02 1.58 -0.17 0.00 0.04 -1.26 -0.97 135.00 134.20 2diq s PRO 42 Ca -0.02 0.93 0.01 0.00 0.04 0.00 0.00 61.00 61.96 2diq s PRO 42 Cb -0.02 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.69 2diq s PRO 42 CO 0.01 -2.05 -0.18 -1.17 0.04 0.00 0.00 177.00 173.65 2diq s LEU 43 N -6.12 2.28 0.39 -3.56 2.96 0.21 -4.86 118.68 109.97 2diq s LEU 43 Ca 0.63 -0.58 0.28 0.00 -0.22 0.00 0.00 54.13 54.24 2diq s LEU 43 Cb -0.18 -1.52 1.17 0.00 0.50 0.00 0.00 46.19 46.17 2diq s LEU 43 CO 0.57 0.03 1.84 1.55 -1.32 0.00 0.00 176.35 179.02 2diq h PRO 44 N 7.70 0.00 0.05 0.98 0.13 -1.92 1.75 132.00 140.69 2diq h PRO 44 Ca -0.40 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.38 2diq h PRO 44 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 2diq h PRO 44 CO 0.60 0.00 -1.99 0.25 -0.23 0.00 0.00 178.00 176.63 2diq n THR 45 N -2.61 1.63 -0.07 1.56 -2.24 -1.26 -4.62 114.28 106.67 2diq n THR 45 Ca 0.01 -0.44 -0.21 0.00 -2.27 0.00 0.00 64.05 61.14 2diq n THR 45 Cb 0.25 -1.77 -0.13 0.00 -2.10 0.00 0.00 70.33 66.59 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 -3.79 2.04 -0.25 3.42 5.15 -1.20 -5.03 115.26 115.60 2diq n ASN 46 Ca -0.38 0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.68 2diq n ASN 46 Cb 0.92 -0.67 0.00 0.00 -0.53 0.00 0.00 39.78 39.50 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 2.02 0.90 3.42 8.20 0.00 0.59 -4.99 105.19 115.33 2diq n GLY 47 Ca -0.40 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.34 -0.10 0.14 1.61 0.01 -1.23 -4.80 113.70 107.00 2diq s SER 48 Ca 0.00 -0.68 -0.18 0.00 1.31 0.00 0.00 55.95 56.40 2diq s SER 48 Cb 0.00 0.50 -0.07 0.00 0.21 0.00 0.00 66.02 66.66 2diq s SER 48 CO 0.00 -0.96 0.62 0.26 0.41 0.00 0.00 173.24 173.56 2diq s TRP 49 N -3.92 3.71 0.04 2.43 0.52 -1.26 0.64 118.94 121.10 2diq s TRP 49 Ca 0.13 1.25 -0.05 0.00 0.02 0.00 0.00 56.10 57.45 2diq s TRP 49 Cb 0.01 -2.50 -0.01 0.00 -1.15 0.00 0.00 33.47 29.82 2diq s TRP 49 CO -0.02 0.47 0.08 0.71 0.02 0.00 0.00 176.95 178.21 2diq s TYR 50 N -1.34 0.23 -0.42 -1.98 1.51 -0.14 -4.59 117.35 110.63 2diq s TYR 50 Ca 0.36 -0.56 -0.29 0.00 -1.01 0.00 0.00 57.07 55.57 2diq s TYR 50 Cb -0.17 -0.17 0.02 0.00 -0.11 0.00 0.00 41.96 41.52 2diq s TYR 50 CO 0.20 -0.36 1.30 1.03 -1.11 0.00 0.00 175.55 176.60 2diq s ARG 51 N -2.70 3.68 0.16 -0.62 0.52 -1.26 -2.43 118.95 116.30 2diq s ARG 51 Ca -0.04 0.86 0.09 0.00 -0.52 0.00 0.00 55.73 56.12 2diq s ARG 51 Cb -0.01 -3.96 -0.04 0.00 0.52 0.00 0.00 34.95 31.46 2diq s ARG 51 CO -0.05 -1.43 -0.20 0.00 0.02 0.00 0.00 175.30 173.65 2diq s ALA 52 N 4.92 2.08 -0.19 2.13 0.00 -1.01 -2.05 121.76 127.63 2diq s ALA 52 Ca 0.56 -1.49 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 2diq s ALA 52 Cb -0.12 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2diq s ALA 52 CO 0.30 0.29 0.01 0.50 0.00 0.00 0.00 175.76 176.87 2diq s ARG 53 N -2.66 3.71 0.20 0.00 3.52 0.20 -2.67 118.95 121.25 2diq s ARG 53 Ca 0.16 -0.48 -0.31 0.00 -0.13 0.00 0.00 55.73 54.97 2diq s ARG 53 Cb -0.07 -3.10 -0.10 0.00 -1.56 0.00 0.00 34.95 30.12 2diq s ARG 53 CO 0.07 0.09 1.50 0.08 -0.81 0.00 0.00 175.30 176.24 2diq s VAL 54 N 0.80 2.66 -0.10 7.11 1.01 -0.88 0.19 120.40 131.19 2diq s VAL 54 Ca 0.01 0.51 0.11 0.00 0.00 0.00 0.00 61.98 62.60 2diq s VAL 54 Cb -0.14 -3.32 -0.16 0.00 0.00 0.00 0.00 36.38 32.76 2diq s VAL 54 CO 0.02 0.06 0.27 0.18 0.00 0.00 0.00 175.10 175.63 2diq n LEU 55 N 3.20 0.09 0.00 3.92 4.77 0.22 0.28 117.00 129.49 2diq n LEU 55 Ca 0.10 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2diq n LEU 55 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2diq n LEU 55 CO 0.61 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 2diq n GLY 56 N 1.77 -0.47 3.14 -0.72 0.00 -1.25 -4.69 105.19 102.98 2diq n GLY 56 Ca -0.01 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.12 0.32 2.61 2.01 -1.26 -4.07 115.64 115.37 2diq s THR 57 Ca 0.00 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.09 2diq s THR 57 Cb 0.00 -0.87 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 2diq s THR 57 CO 0.00 -0.54 0.45 -0.76 -0.69 0.00 0.00 174.62 173.08 2diq s LEU 58 N -2.06 4.00 0.38 4.42 1.43 0.66 -4.75 118.68 122.75 2diq s LEU 58 Ca -0.06 -0.17 0.10 0.00 -1.03 0.00 0.00 54.13 52.98 2diq s LEU 58 Cb -0.01 -2.75 0.75 0.00 0.03 0.00 0.00 46.19 44.20 2diq s LEU 58 CO -0.04 -0.39 1.87 -0.33 0.23 0.00 0.00 176.35 177.69 2diq h GLU 59 N 0.93 0.15 0.03 1.70 4.39 -2.03 -2.78 114.58 116.98 2diq h GLU 59 Ca -0.46 -0.04 -0.24 0.00 0.34 0.00 0.00 59.36 58.95 2diq h GLU 59 Cb 1.25 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.89 2diq h GLU 59 CO 0.54 0.39 -1.01 -2.95 -1.16 0.00 0.00 179.01 174.81 2diq h ASN 60 N 0.14 0.58 0.00 1.42 -1.07 -2.06 -3.48 115.58 111.10 2diq h ASN 60 Ca 0.02 -0.48 0.00 0.00 0.07 0.00 0.00 56.30 55.91 2diq h ASN 60 Cb 0.50 -0.18 0.00 0.00 -2.07 0.00 0.00 38.32 36.58 2diq h ASN 60 CO 0.04 1.30 0.00 0.61 0.07 0.00 0.00 177.43 179.44 2diq n GLY 61 N 1.06 3.32 3.26 9.14 0.00 -1.05 -5.14 105.19 115.79 2diq n GLY 61 Ca -0.08 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.69 -4.38 1.61 4.13 -1.26 -4.41 115.26 108.27 2diq n ASN 62 Ca 0.00 -0.33 -0.33 0.00 1.68 0.00 0.00 54.58 55.60 2diq n ASN 62 Cb 0.00 -1.00 -0.14 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 -3.78 2.67 -0.59 3.41 1.43 -1.00 -0.25 118.68 120.58 2diq s LEU 63 Ca 0.58 -0.32 -0.27 0.00 -1.03 0.00 0.00 54.13 53.08 2diq s LEU 63 Cb -0.14 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.50 2diq s LEU 63 CO 0.59 0.20 1.53 -0.62 0.23 0.00 0.00 176.35 178.28 2diq s ASP 64 N 0.15 5.89 0.21 2.29 2.15 -1.26 -3.33 116.67 122.76 2diq s ASP 64 Ca -0.07 0.24 -0.01 0.00 0.43 0.00 0.00 52.55 53.13 2diq s ASP 64 Cb -0.15 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.88 2diq s ASP 64 CO 0.05 -1.91 0.40 -0.76 -0.17 0.00 0.00 175.17 172.78 2diq s LEU 65 N 6.85 4.22 -0.29 -1.34 1.43 0.14 0.72 118.68 130.40 2diq s LEU 65 Ca 0.55 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 54.09 2diq s LEU 65 Cb -0.11 -3.18 0.08 0.00 0.03 0.00 0.00 46.19 43.00 2diq s LEU 65 CO 0.23 -0.05 -0.04 -0.47 0.23 0.00 0.00 176.35 176.24 2diq s TYR 66 N -1.88 3.45 -0.68 0.29 5.04 0.51 -0.91 117.35 123.17 2diq s TYR 66 Ca 0.39 -2.59 -0.25 0.00 -2.44 0.00 0.00 57.07 52.17 2diq s TYR 66 Cb -0.11 -2.33 -0.12 0.00 0.35 0.00 0.00 41.96 39.74 2diq s TYR 66 CO 0.29 -0.91 2.42 1.19 -1.34 0.00 0.00 175.55 177.20 2diq n PHE 67 N 4.36 1.19 0.30 4.97 3.01 0.39 0.61 117.46 132.29 2diq n PHE 67 Ca -0.07 0.06 0.18 0.00 1.01 0.00 0.00 57.45 58.63 2diq n PHE 67 Cb 0.42 -2.51 0.76 0.00 -0.01 0.00 0.00 39.48 38.14 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 7.68 0.00 0.22 -4.37 -1.51 -1.68 1.70 116.25 118.29 2diq h VAL 68 Ca -0.11 -0.39 -0.34 0.00 -1.23 0.00 0.00 66.70 64.64 2diq h VAL 68 Cb 1.14 1.36 0.02 0.00 -2.13 0.00 0.00 31.29 31.68 2diq h VAL 68 CO 1.12 0.00 -1.59 0.44 -1.23 0.00 0.00 177.57 176.31 2diq h ASP 69 N 0.00 0.71 0.00 4.19 3.32 -1.80 1.07 116.42 123.91 2diq h ASP 69 Ca 0.00 -0.93 -0.26 0.00 0.02 0.00 0.00 57.03 55.86 2diq h ASP 69 Cb 0.40 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 2diq h ASP 69 CO 0.00 1.74 -1.85 0.49 -1.72 0.00 0.00 179.24 177.90 2diq n PHE 70 N -3.68 0.00 0.00 4.55 3.01 -1.09 -2.92 117.46 117.32 2diq n PHE 70 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.25 2diq n PHE 70 Cb 1.08 -0.76 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 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 1.41 2.12 3.40 1.37 0.00 0.58 -4.66 105.19 109.41 2diq n GLY 71 Ca -0.36 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.30 -0.36 -0.09 1.61 2.15 -1.26 -4.49 116.67 113.94 2diq s ASP 72 Ca 0.00 0.84 0.04 0.00 0.43 0.00 0.00 52.55 53.85 2diq s ASP 72 Cb 0.00 -1.19 -0.01 0.00 -0.30 0.00 0.00 42.92 41.42 2diq s ASP 72 CO 0.00 -4.93 -0.20 0.20 -0.17 0.00 0.00 175.17 170.07 2diq s ASN 73 N -3.32 3.48 0.15 -0.34 -0.87 -1.26 -0.46 114.94 112.31 2diq s ASN 73 Ca 0.69 -0.42 0.10 0.00 -1.57 0.00 0.00 52.86 51.66 2diq s ASN 73 Cb -0.13 -1.18 -0.04 0.00 -0.02 0.00 0.00 41.25 39.88 2diq s ASN 73 CO 0.58 0.22 -0.23 -0.83 -2.57 0.00 0.00 177.10 174.27 2diq s GLY 74 N 0.00 1.50 -0.01 0.66 0.00 -0.09 -4.95 107.32 104.43 2diq s GLY 74 Ca -0.07 -1.48 0.08 0.00 0.00 0.00 0.00 44.72 43.25 2diq s GLY 74 CO 0.05 -1.50 -0.26 0.51 0.00 0.00 0.00 173.10 171.90 2diq s ASP 75 N -2.37 3.02 -0.18 1.64 -4.77 -1.26 0.25 116.67 113.00 2diq s ASP 75 Ca 0.15 -0.47 -0.29 0.00 -3.30 0.00 0.00 52.55 48.63 2diq s ASP 75 Cb -0.08 -0.33 0.12 0.00 -1.09 0.00 0.00 42.92 41.54 2diq s ASP 75 CO 0.07 0.31 0.99 0.00 0.70 0.00 0.00 175.17 177.24 2diq s PRO 77 N -0.88 4.46 0.31 0.00 0.04 -1.26 -2.37 135.00 135.30 2diq s PRO 77 Ca -0.01 2.06 0.08 0.00 0.04 0.00 0.00 61.00 63.16 2diq s PRO 77 Cb -0.01 -3.12 0.84 0.00 0.04 0.00 0.00 34.50 32.25 2diq s PRO 77 CO 0.01 -0.05 1.73 1.25 0.04 0.00 0.00 177.00 179.98 2diq h LEU 78 N 3.67 0.64 -1.27 -3.56 6.46 -1.95 0.36 115.31 119.66 2diq h LEU 78 Ca -0.48 0.13 0.07 0.00 -0.12 0.00 0.00 57.88 57.49 2diq h LEU 78 Cb 1.22 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 41.13 2diq h LEU 78 CO 0.67 0.11 0.53 0.07 -0.62 0.00 0.00 178.44 179.20 2diq h LYS 79 N 0.58 0.84 -0.65 1.25 5.09 -1.91 0.14 116.57 121.91 2diq h LYS 79 Ca 0.62 -0.05 0.00 0.00 0.09 0.00 0.00 60.65 61.31 2diq h LYS 79 Cb 1.16 -0.19 0.00 0.00 0.10 0.00 0.00 32.23 33.30 2diq h LYS 79 CO -0.47 0.55 0.00 -3.47 -2.09 0.00 0.00 179.45 173.97 2diq n ASP 80 N -4.49 2.59 -4.70 7.07 2.03 0.12 -4.12 116.55 115.05 2diq n ASP 80 Ca 0.13 -2.26 -0.23 0.00 0.52 0.00 0.00 54.79 52.94 2diq n ASP 80 Cb 0.24 -0.45 -0.06 0.00 -0.72 0.00 0.00 41.12 40.12 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 -1.13 3.41 -0.02 -2.67 1.43 0.50 -4.32 118.68 115.88 2diq s LEU 81 Ca 0.23 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.85 2diq s LEU 81 Cb 0.16 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.44 2diq s LEU 81 CO 0.10 0.00 0.03 -0.13 0.23 0.00 0.00 176.35 176.58 2diq s ARG 82 N -3.60 -0.01 -0.34 1.70 1.81 -0.36 -4.13 118.95 114.02 2diq s ARG 82 Ca 0.31 0.15 -0.27 0.00 -1.72 0.00 0.00 55.73 54.20 2diq s ARG 82 Cb -0.07 -0.16 -0.06 0.00 -0.45 0.00 0.00 34.95 34.21 2diq s ARG 82 CO 0.21 -0.11 2.31 0.00 -0.68 0.00 0.00 175.30 177.03 2diq n ALA 83 N 3.83 1.35 -1.64 2.13 0.00 -1.26 -0.10 120.51 124.82 2diq n ALA 83 Ca -0.23 -0.56 -0.57 0.00 0.00 0.00 0.00 53.44 52.08 2diq n ALA 83 Cb 0.53 -3.05 -0.07 0.00 0.00 0.00 0.00 19.45 16.86 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 13.59 1.60 -4.72 0.00 7.94 -1.26 -4.84 117.00 129.30 2diq n LEU 84 Ca 0.33 1.12 -0.31 0.00 -1.11 0.00 0.00 56.01 56.05 2diq n LEU 84 Cb 0.49 -1.09 0.13 0.00 0.53 0.00 0.00 43.42 43.48 2diq n LEU 84 CO 0.68 -0.93 0.68 -0.13 -1.11 0.00 0.00 177.39 176.58 2diq s ARG 85 N 1.85 1.63 0.33 1.96 1.81 -1.26 -4.93 118.95 120.34 2diq s ARG 85 Ca 0.93 1.17 0.07 0.00 -1.72 0.00 0.00 55.73 56.19 2diq s ARG 85 Cb -1.12 -1.83 0.58 0.00 -0.45 0.00 0.00 34.95 32.14 2diq s ARG 85 CO 0.60 -2.08 1.79 0.66 -0.68 0.00 0.00 175.30 175.59 2diq h SER 86 N -1.45 0.28 0.80 0.23 4.64 -2.00 -2.26 113.55 113.78 2diq h SER 86 Ca -0.45 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 60.75 2diq h SER 86 Cb 1.25 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2diq h SER 86 CO 0.50 0.55 -0.15 -2.24 -0.87 0.00 0.00 176.83 174.61 2diq h ASP 87 N 0.25 0.00 0.17 4.97 3.04 -2.01 -2.07 116.42 120.76 2diq h ASP 87 Ca 0.04 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.83 2diq h ASP 87 Cb 0.61 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.90 2diq h ASP 87 CO 0.04 0.15 -0.14 0.49 -2.04 0.00 0.00 179.24 177.75 2diq n PHE 88 N -3.37 0.00 -0.03 4.15 3.72 -0.86 -3.72 117.46 117.35 2diq n PHE 88 Ca -0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.44 2diq n PHE 88 Cb 0.36 -0.09 -0.14 0.00 -0.94 0.00 0.00 39.48 38.67 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 -0.46 0.00 -0.02 4.37 4.77 -0.81 -4.41 117.00 120.44 2diq n LEU 89 Ca 0.15 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.34 2diq n LEU 89 Cb 0.33 0.10 0.43 0.00 -2.33 0.00 0.00 43.42 41.95 2diq n LEU 89 CO 0.22 0.10 1.19 -1.28 -1.33 0.00 0.00 177.39 176.29 2diq h SER 90 N 0.00 0.00 -3.20 -1.43 0.87 -1.57 -3.37 113.55 104.85 2diq h SER 90 Ca -0.11 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.86 2diq h SER 90 Cb 1.13 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.03 2diq h SER 90 CO 0.01 0.00 -0.14 -0.22 -0.53 0.00 0.00 176.83 175.94 2diq s LEU 91 N -6.29 4.39 0.52 2.23 0.20 -1.26 -5.06 118.68 113.41 2diq s LEU 91 Ca -0.02 0.95 -0.20 0.00 0.69 0.00 0.00 54.13 55.54 2diq s LEU 91 Cb 0.11 -2.69 -0.06 0.00 -0.43 0.00 0.00 46.19 43.12 2diq s LEU 91 CO 0.38 0.17 1.14 -2.16 -0.29 0.00 0.00 176.35 175.58 2diq s PRO 92 N -0.30 3.45 -0.32 0.98 0.04 -1.26 -4.91 135.00 132.68 2diq s PRO 92 Ca 0.26 1.65 -0.27 0.00 0.04 0.00 0.00 61.00 62.67 2diq s PRO 92 Cb -0.16 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 2diq s PRO 92 CO 0.13 -0.78 2.27 -0.06 0.04 0.00 0.00 177.00 178.60 2diq s PHE 93 N -1.72 1.16 0.13 0.56 0.08 -1.26 -4.85 117.98 112.09 2diq s PHE 93 Ca 0.71 0.89 -0.20 0.00 0.12 0.00 0.00 56.93 58.45 2diq s PHE 93 Cb -0.25 -3.82 -0.01 0.00 -0.57 0.00 0.00 43.02 38.38 2diq s PHE 93 CO 0.29 -3.51 1.69 1.96 -0.10 0.00 0.00 175.22 175.55 2diq h GLN 94 N 16.53 -0.02 -5.35 0.44 1.08 -1.76 -3.36 115.11 122.67 2diq h GLN 94 Ca -0.35 0.00 -0.65 0.00 -1.45 0.00 0.00 58.65 56.20 2diq h GLN 94 Cb 1.25 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 28.52 2diq h GLN 94 CO 1.03 -0.01 0.22 0.00 -0.95 0.00 0.00 178.83 179.12 2diq s ALA 95 N -6.20 3.31 0.03 3.87 0.00 0.37 -4.97 121.76 118.17 2diq s ALA 95 Ca -0.14 -1.45 -0.04 0.00 0.00 0.00 0.00 51.96 50.33 2diq s ALA 95 Cb 0.11 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 2diq s ALA 95 CO 0.69 -2.06 0.25 0.42 0.00 0.00 0.00 175.76 175.06 2diq s ILE 96 N 3.07 5.33 1.38 0.00 -1.09 -1.26 -4.56 121.20 124.07 2diq s ILE 96 Ca 0.22 -0.03 -0.22 0.00 -2.23 0.00 0.00 60.65 58.38 2diq s ILE 96 Cb -0.16 -3.58 0.35 0.00 -1.58 0.00 0.00 42.46 37.49 2diq s ILE 96 CO 0.16 0.27 0.98 -1.61 -1.23 0.00 0.00 174.94 173.50 2diq s GLU 97 N -2.07 -2.60 0.09 2.79 0.41 -1.26 -5.00 118.70 111.05 2diq s GLU 97 Ca 0.31 0.04 -0.15 0.00 -0.41 0.00 0.00 54.97 54.76 2diq s GLU 97 Cb -0.13 -1.42 -0.06 0.00 -1.78 0.00 0.00 34.13 30.73 2diq s GLU 97 CO 0.20 -4.64 0.50 0.00 -0.49 0.00 0.00 175.26 170.83 2diq s SER 99 N -1.44 0.01 0.51 0.00 0.01 -1.26 -5.19 113.70 106.33 2diq s SER 99 Ca 0.32 -0.77 0.06 0.00 1.31 0.00 0.00 55.95 56.86 2diq s SER 99 Cb -0.16 0.57 0.02 0.00 0.21 0.00 0.00 66.02 66.66 2diq s SER 99 CO 0.18 -1.14 0.37 -1.48 0.41 0.00 0.00 173.24 171.58 2diq s LEU 100 N -3.34 2.84 -0.71 2.44 2.34 -1.26 -5.00 118.68 116.00 2diq s LEU 100 Ca 0.21 -1.16 -0.36 0.00 0.06 0.00 0.00 54.13 52.88 2diq s LEU 100 Cb -0.03 -1.34 -0.19 0.00 -0.56 0.00 0.00 46.19 44.07 2diq s LEU 100 CO 0.07 -0.97 2.42 0.00 -1.06 0.00 0.00 176.35 176.80 2diq n ALA 101 N -1.66 0.39 -2.56 1.48 0.00 -1.26 -4.90 120.51 112.01 2diq n ALA 101 Ca -0.01 -0.13 -0.23 0.00 0.00 0.00 0.00 53.44 53.07 2diq n ALA 101 Cb 0.64 -2.30 -0.14 0.00 0.00 0.00 0.00 19.45 17.65 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 7.54 1.19 -0.89 0.00 1.81 -1.26 -4.79 118.95 122.55 2diq s ARG 102 Ca 1.25 -0.78 -0.11 0.00 -1.72 0.00 0.00 55.73 54.36 2diq s ARG 102 Cb -1.22 -1.23 0.11 0.00 -0.45 0.00 0.00 34.95 32.16 2diq s ARG 102 CO 0.54 0.32 0.27 0.44 -0.68 0.00 0.00 175.30 176.19 2diq n ILE 103 N 2.07 -0.01 -2.38 1.52 -6.64 -1.26 -4.83 119.36 107.82 2diq n ILE 103 Ca -0.17 -0.01 -0.25 0.00 -1.77 0.00 0.00 62.75 60.56 2diq n ILE 103 Cb 0.54 -0.24 0.10 0.00 -1.44 0.00 0.00 39.64 38.60 2diq n ILE 103 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2diq s ALA 104 N -2.11 3.33 1.06 -1.28 0.00 -1.26 -5.05 121.76 116.45 2diq s ALA 104 Ca 0.38 -1.39 -0.20 0.00 0.00 0.00 0.00 51.96 50.75 2diq s ALA 104 Cb -0.22 -2.30 -0.00 0.00 0.00 0.00 0.00 23.12 20.60 2diq s ALA 104 CO 0.49 -1.50 -0.42 0.43 0.00 0.00 0.00 175.76 174.75 2diq n SER 105 N -2.96 -2.75 0.00 0.00 7.64 -1.26 -4.94 113.62 109.34 2diq n SER 105 Ca 0.12 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2diq n SER 105 Cb 0.60 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 2diq n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2diq n GLY 106 N 2.46 -1.92 1.46 0.23 0.00 -1.26 -5.12 105.19 101.03 2diq n GLY 106 Ca 0.00 0.66 -0.12 0.00 0.00 0.00 0.00 46.02 46.56 2diq n GLY 106 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2diq n PRO 107 N -0.50 -1.92 -1.45 1.61 -0.04 -1.26 -4.82 135.00 126.62 2diq n PRO 107 Ca 0.00 -0.73 -0.50 0.00 -0.04 0.00 0.00 63.50 62.23 2diq n PRO 107 Cb 0.00 -0.68 -0.07 0.00 -0.04 0.00 0.00 33.50 32.70 2diq n PRO 107 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2diq n SER 108 N -3.79 2.06 -3.90 3.54 7.64 -1.26 -4.88 113.62 113.04 2diq n SER 108 Ca 0.06 0.37 -0.08 0.00 1.01 0.00 0.00 58.87 60.23 2diq n SER 108 Cb 0.25 -1.26 -0.03 0.00 -1.01 0.00 0.00 64.21 62.15 2diq n SER 108 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2diq s SER 109 N 7.55 -0.20 0.00 6.43 1.04 -1.26 -5.25 113.70 122.01 2diq s SER 109 Ca 1.10 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 56.82 2diq s SER 109 Cb -0.85 0.66 0.00 0.00 0.10 0.00 0.00 66.02 65.93 2diq s SER 109 CO 0.48 -1.24 0.46 0.61 0.98 0.00 0.00 173.24 174.54