#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2apt h ALA 3 N 0.00 0.92 -3.13 0.00 0.00 -1.94 -3.41 119.26 111.70 2apt h ALA 3 Ca 0.00 -0.20 -0.63 0.00 0.00 0.00 0.00 54.91 54.07 2apt h ALA 3 Cb 0.00 -0.04 -0.36 0.00 0.00 0.00 0.00 17.79 17.40 2apt h ALA 3 CO 0.00 0.28 -0.84 0.08 0.00 0.00 0.00 179.25 178.77 2apt s VAL 4 N -3.36 1.79 -0.02 0.00 1.01 -1.26 -0.46 120.40 118.09 2apt s VAL 4 Ca 0.03 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.28 2apt s VAL 4 Cb 0.08 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 2apt s VAL 4 CO 0.66 0.46 -0.25 0.42 0.00 0.00 0.00 175.10 176.40 2apt s THR 5 N 1.39 1.96 0.03 3.92 -4.23 0.14 -4.37 115.64 114.48 2apt s THR 5 Ca 0.04 -1.06 0.06 0.00 -1.18 0.00 0.00 61.69 59.56 2apt s THR 5 Cb -0.13 -1.63 -0.03 0.00 1.34 0.00 0.00 72.50 72.04 2apt s THR 5 CO -0.11 0.56 -0.16 -1.10 -0.54 0.00 0.00 174.62 173.26 2apt s GLN 6 N -0.54 2.15 0.00 3.99 -0.21 -1.26 -0.36 119.66 123.43 2apt s GLN 6 Ca 0.08 -0.94 0.02 0.00 0.02 0.00 0.00 55.36 54.54 2apt s GLN 6 Cb -0.10 -2.24 -0.01 0.00 1.00 0.00 0.00 33.01 31.66 2apt s GLN 6 CO -0.01 0.55 -0.06 -1.12 -2.12 0.00 0.00 175.29 172.53 2apt s SER 7 N -1.44 0.73 0.90 5.90 0.01 -0.43 -4.32 113.70 115.06 2apt s SER 7 Ca 0.15 -0.16 -0.12 0.00 1.31 0.00 0.00 55.95 57.13 2apt s SER 7 Cb -0.11 -0.07 0.13 0.00 0.21 0.00 0.00 66.02 66.19 2apt s SER 7 CO 0.06 0.04 1.14 -2.16 0.41 0.00 0.00 173.24 172.73 2apt s PRO 8 N -0.31 1.21 0.16 12.44 0.04 -1.26 -0.44 135.00 146.84 2apt s PRO 8 Ca 0.01 0.28 -0.01 0.00 0.04 0.00 0.00 61.00 61.32 2apt s PRO 8 Cb -0.03 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 2apt s PRO 8 CO -0.00 -2.15 1.37 0.00 0.04 0.00 0.00 177.00 176.26 2apt h ARG 9 N -1.46 0.33 -4.61 4.56 2.47 -1.87 -3.43 114.38 110.37 2apt h ARG 9 Ca -0.50 -0.32 -0.28 0.00 -1.26 0.00 0.00 59.98 57.62 2apt h ARG 9 Cb 1.33 0.08 -0.21 0.00 -1.65 0.00 0.00 29.97 29.53 2apt h ARG 9 CO 0.62 1.00 -0.73 -0.80 0.56 0.00 0.00 179.97 180.62 2apt s ASN 10 N -6.99 0.91 -0.15 7.04 0.01 -1.26 -1.91 114.94 112.59 2apt s ASN 10 Ca -0.05 -0.58 -0.09 0.00 -0.71 0.00 0.00 52.86 51.43 2apt s ASN 10 Cb 0.10 0.04 0.05 0.00 0.41 0.00 0.00 41.25 41.85 2apt s ASN 10 CO 0.84 -0.21 0.36 -0.75 -1.51 0.00 0.00 177.10 175.83 2apt s LYS 11 N -1.73 0.35 -0.14 -0.60 2.47 -0.24 -4.94 119.74 114.92 2apt s LYS 11 Ca -0.08 0.69 0.00 0.00 -1.56 0.00 0.00 55.97 55.02 2apt s LYS 11 Cb -0.09 -0.01 -0.01 0.00 -1.46 0.00 0.00 37.83 36.25 2apt s LYS 11 CO 0.00 -0.14 -0.14 0.54 0.16 0.00 0.00 175.35 175.76 2apt s VAL 12 N 1.20 2.87 0.24 4.02 0.11 -1.26 -1.43 120.40 126.15 2apt s VAL 12 Ca -0.08 -0.72 0.06 0.00 -2.93 0.00 0.00 61.98 58.31 2apt s VAL 12 Cb -0.08 -2.20 -0.05 0.00 -1.53 0.00 0.00 36.38 32.51 2apt s VAL 12 CO -0.10 0.52 -0.08 0.00 -3.33 0.00 0.00 175.10 172.12 2apt s ALA 13 N 0.50 2.11 0.04 1.54 0.00 -0.34 -4.97 121.76 120.64 2apt s ALA 13 Ca -0.10 -1.79 0.02 0.00 0.00 0.00 0.00 51.96 50.10 2apt s ALA 13 Cb -0.16 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 2apt s ALA 13 CO 0.04 -0.06 0.04 0.08 0.00 0.00 0.00 175.76 175.86 2apt s VAL 14 N -3.08 4.34 0.05 0.00 1.01 -1.26 -0.22 120.40 121.23 2apt s VAL 14 Ca 0.26 -0.69 -0.38 0.00 0.00 0.00 0.00 61.98 61.17 2apt s VAL 14 Cb 0.03 -3.01 -0.18 0.00 0.00 0.00 0.00 36.38 33.21 2apt s VAL 14 CO 0.09 0.25 1.19 0.41 0.00 0.00 0.00 175.10 177.04 2apt n THR 15 N 0.92 0.06 0.00 3.92 -1.04 0.35 -0.82 114.28 117.67 2apt n THR 15 Ca -0.12 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 2apt n THR 15 Cb 0.52 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 2apt n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2apt n GLY 16 N 2.00 2.23 3.76 3.41 0.00 0.55 -4.92 105.19 112.22 2apt n GLY 16 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2apt n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2apt s GLU 17 N -0.83 4.55 -0.18 1.61 2.12 0.00 -4.41 118.70 121.58 2apt s GLU 17 Ca 0.00 1.91 -0.26 0.00 0.36 0.00 0.00 54.97 56.98 2apt s GLU 17 Cb 0.00 -3.17 -0.01 0.00 0.26 0.00 0.00 34.13 31.21 2apt s GLU 17 CO 0.00 0.08 0.88 0.21 -0.54 0.00 0.00 175.26 175.88 2apt s LYS 18 N -1.38 4.30 -0.05 4.30 2.20 -1.26 -0.83 119.74 127.02 2apt s LYS 18 Ca 0.47 1.09 0.06 0.00 -0.36 0.00 0.00 55.97 57.23 2apt s LYS 18 Cb -0.34 -3.58 -0.02 0.00 -1.51 0.00 0.00 37.83 32.38 2apt s LYS 18 CO 0.43 -0.38 -0.24 0.08 -0.36 0.00 0.00 175.35 174.89 2apt s VAL 19 N 2.32 2.20 -0.15 4.02 1.01 -0.26 -4.99 120.40 124.55 2apt s VAL 19 Ca 0.40 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2apt s VAL 19 Cb -0.16 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.43 2apt s VAL 19 CO 0.12 0.57 -0.21 -0.89 0.00 0.00 0.00 175.10 174.70 2apt s THR 20 N -0.35 2.01 -0.02 3.92 2.01 -1.26 -0.17 115.64 121.78 2apt s THR 20 Ca 0.02 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.09 2apt s THR 20 Cb -0.12 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 2apt s THR 20 CO 0.02 0.54 0.03 -0.76 -0.69 0.00 0.00 174.62 173.75 2apt s LEU 21 N 1.04 3.66 0.09 4.42 1.43 0.11 -4.71 118.68 124.72 2apt s LEU 21 Ca -0.02 0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.24 2apt s LEU 21 Cb -0.14 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2apt s LEU 21 CO -0.07 0.30 -0.20 -0.55 0.23 0.00 0.00 176.35 176.06 2apt s SER 22 N -1.47 2.41 -0.04 2.29 0.15 0.42 -0.98 113.70 116.48 2apt s SER 22 Ca 0.19 -0.67 -0.01 0.00 0.70 0.00 0.00 55.95 56.17 2apt s SER 22 Cb -0.12 -0.13 0.03 0.00 -1.71 0.00 0.00 66.02 64.10 2apt s SER 22 CO 0.10 0.05 0.06 0.00 1.20 0.00 0.00 173.24 174.65 2apt s GLN 24 N 1.45 1.75 0.12 0.00 2.00 0.51 -1.31 119.66 124.19 2apt s GLN 24 Ca -0.05 -0.68 0.08 0.00 -2.00 0.00 0.00 55.36 52.72 2apt s GLN 24 Cb -0.12 -1.60 -0.04 0.00 0.80 0.00 0.00 33.01 32.05 2apt s GLN 24 CO -0.04 0.35 -0.21 1.14 -0.50 0.00 0.00 175.29 176.03 2apt s GLN 25 N -0.23 1.18 -0.11 1.67 -2.07 0.17 -0.69 119.66 119.57 2apt s GLN 25 Ca 0.02 -1.23 0.16 0.00 -1.82 0.00 0.00 55.36 52.49 2apt s GLN 25 Cb -0.10 -1.41 0.27 0.00 -1.09 0.00 0.00 33.01 30.68 2apt s GLN 25 CO 0.01 0.32 1.15 0.25 -1.32 0.00 0.00 175.29 175.70 2apt n THR 26 N 0.89 1.79 0.72 3.63 -2.24 0.39 -4.66 114.28 114.79 2apt n THR 26 Ca -0.18 -2.07 0.12 0.00 -2.27 0.00 0.00 64.05 59.65 2apt n THR 26 Cb 0.54 -0.14 0.14 0.00 -2.10 0.00 0.00 70.33 68.78 2apt n THR 26 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2apt n ASN 27 N -1.24 0.62 -1.87 3.42 3.02 -1.26 -4.96 115.26 112.99 2apt n ASN 27 Ca 0.14 -0.14 -0.16 0.00 -0.03 0.00 0.00 54.58 54.39 2apt n ASN 27 Cb 0.60 0.42 -0.00 0.00 -0.61 0.00 0.00 39.78 40.19 2apt n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2apt n ASN 28 N -1.85 -4.80 -4.83 6.41 5.15 -1.26 -4.99 115.26 109.10 2apt n ASN 28 Ca 0.04 -0.03 -0.36 0.00 -0.60 0.00 0.00 54.58 53.62 2apt n ASN 28 Cb 0.40 -3.90 -0.06 0.00 -0.53 0.00 0.00 39.78 35.69 2apt n ASN 28 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2apt s HIS 29 N -2.82 3.65 0.11 1.20 3.76 -1.26 -4.99 115.29 114.95 2apt s HIS 29 Ca 0.02 1.22 -0.07 0.00 -0.15 0.00 0.00 55.06 56.08 2apt s HIS 29 Cb -0.01 -2.49 -0.14 0.00 1.11 0.00 0.00 32.58 31.06 2apt s HIS 29 CO 0.02 0.41 1.27 -0.91 -0.85 0.00 0.00 174.74 174.68 2apt h ASN 30 N 3.63 0.64 -3.04 1.40 4.21 -1.88 -3.46 115.58 117.08 2apt h ASN 30 Ca -0.48 -0.51 -0.60 0.00 1.21 0.00 0.00 56.30 55.91 2apt h ASN 30 Cb 1.20 -0.20 -0.05 0.00 -1.12 0.00 0.00 38.32 38.15 2apt h ASN 30 CO 0.65 1.31 -0.26 0.20 -1.29 0.00 0.00 177.43 178.04 2apt s ASN 31 N -7.14 6.66 0.03 5.81 0.02 -1.21 -3.26 114.94 115.85 2apt s ASN 31 Ca -0.07 0.79 -0.01 0.00 -1.02 0.00 0.00 52.86 52.55 2apt s ASN 31 Cb 0.08 -2.18 -0.02 0.00 0.02 0.00 0.00 41.25 39.15 2apt s ASN 31 CO 0.88 0.23 -0.01 -0.04 0.02 0.00 0.00 177.10 178.19 2apt s MET 32 N -1.63 0.46 -0.00 -0.60 -1.94 -0.80 -1.71 119.30 113.07 2apt s MET 32 Ca 0.29 -0.83 -0.04 0.00 -1.71 0.00 0.00 55.69 53.40 2apt s MET 32 Cb -0.14 0.16 -0.00 0.00 2.01 0.00 0.00 34.83 36.86 2apt s MET 32 CO 0.16 -0.09 0.07 0.71 -0.01 0.00 0.00 175.02 175.86 2apt s TYR 33 N -2.47 0.07 -0.11 -0.03 1.51 0.27 -1.01 117.35 115.58 2apt s TYR 33 Ca -0.07 -0.16 0.04 0.00 -1.01 0.00 0.00 57.07 55.87 2apt s TYR 33 Cb -0.03 -0.07 0.00 0.00 -0.11 0.00 0.00 41.96 41.76 2apt s TYR 33 CO -0.05 -0.19 -0.23 -1.58 -1.11 0.00 0.00 175.55 172.39 2apt s TRP 34 N -1.02 2.57 0.20 2.71 0.52 -0.55 -0.82 118.94 122.55 2apt s TRP 34 Ca -0.11 -1.12 0.08 0.00 0.02 0.00 0.00 56.10 54.97 2apt s TRP 34 Cb -0.07 -1.73 -0.05 0.00 -1.15 0.00 0.00 33.47 30.48 2apt s TRP 34 CO 0.00 -0.47 -0.16 0.71 0.02 0.00 0.00 176.95 177.06 2apt s TYR 35 N 0.46 1.78 0.15 -1.98 1.51 -0.11 0.14 117.35 119.30 2apt s TYR 35 Ca -0.16 -0.53 0.10 0.00 -1.01 0.00 0.00 57.07 55.47 2apt s TYR 35 Cb -0.17 -0.83 -0.04 0.00 -0.11 0.00 0.00 41.96 40.80 2apt s TYR 35 CO 0.06 0.39 -0.19 -0.98 -1.11 0.00 0.00 175.55 173.72 2apt s ARG 36 N -3.45 1.73 -0.16 -0.62 1.70 -0.72 -0.80 118.95 116.64 2apt s ARG 36 Ca 0.22 -1.30 -0.01 0.00 -0.47 0.00 0.00 55.73 54.17 2apt s ARG 36 Cb -0.02 -2.03 -0.01 0.00 -0.57 0.00 0.00 34.95 32.32 2apt s ARG 36 CO 0.08 0.45 -0.12 -1.14 -1.08 0.00 0.00 175.30 173.48 2apt s GLN 37 N -2.42 3.32 0.03 3.89 0.74 0.48 -1.24 119.66 124.46 2apt s GLN 37 Ca 0.20 -0.70 0.02 0.00 0.05 0.00 0.00 55.36 54.93 2apt s GLN 37 Cb -0.09 -2.70 -0.02 0.00 1.10 0.00 0.00 33.01 31.30 2apt s GLN 37 CO 0.11 0.06 -0.06 -0.51 -0.55 0.00 0.00 175.29 174.33 2apt s ASP 38 N 0.74 0.69 0.26 6.67 1.01 -1.00 -3.72 116.67 121.32 2apt s ASP 38 Ca -0.05 -0.47 -0.31 0.00 0.71 0.00 0.00 52.55 52.43 2apt s ASP 38 Cb -0.15 0.03 -0.13 0.00 1.01 0.00 0.00 42.92 43.68 2apt s ASP 38 CO 0.01 -0.18 1.45 0.41 0.21 0.00 0.00 175.17 177.07 2apt n THR 39 N 1.71 1.08 0.00 -1.27 -1.04 -1.26 -1.53 114.28 111.97 2apt n THR 39 Ca -0.22 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 2apt n THR 39 Cb 0.55 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 2apt n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2apt n GLY 40 N 2.01 2.78 0.10 3.41 0.00 -1.26 -4.76 105.19 107.47 2apt n GLY 40 Ca 0.10 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 2apt n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2apt n HIS 41 N 0.00 0.00 -3.35 1.61 -0.00 -0.58 -5.08 115.22 107.81 2apt n HIS 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2apt n HIS 41 Cb 0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 29.99 29.03 2apt n HIS 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2apt n GLY 42 N 1.83 -0.30 3.61 -1.41 0.00 -0.90 -4.74 105.19 103.28 2apt n GLY 42 Ca -0.32 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.10 2apt n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2apt s LEU 43 N 0.00 4.05 -0.05 0.99 2.01 -1.26 -2.38 118.68 122.04 2apt s LEU 43 Ca 0.00 0.05 0.02 0.00 0.01 0.00 0.00 54.13 54.21 2apt s LEU 43 Cb 0.00 -2.14 -0.03 0.00 0.01 0.00 0.00 46.19 44.03 2apt s LEU 43 CO 0.00 -0.03 -0.08 -0.13 1.01 0.00 0.00 176.35 177.13 2apt s ARG 44 N 1.58 2.68 -0.10 1.70 0.52 -0.38 -4.94 118.95 120.02 2apt s ARG 44 Ca 0.08 -0.60 -0.26 0.00 -0.52 0.00 0.00 55.73 54.43 2apt s ARG 44 Cb -0.15 -2.55 -0.02 0.00 0.52 0.00 0.00 34.95 32.74 2apt s ARG 44 CO 0.09 0.65 0.84 -1.17 0.02 0.00 0.00 175.30 175.73 2apt s LEU 45 N -0.94 4.26 -0.16 2.53 2.96 -1.26 -1.75 118.68 124.32 2apt s LEU 45 Ca 0.13 1.30 -0.13 0.00 -0.22 0.00 0.00 54.13 55.21 2apt s LEU 45 Cb -0.11 -3.28 -0.05 0.00 0.50 0.00 0.00 46.19 43.25 2apt s LEU 45 CO 0.03 -0.30 -0.24 -0.38 -1.32 0.00 0.00 176.35 174.14 2apt n ILE 46 N 4.30 1.45 -3.87 6.68 5.41 0.12 -0.76 119.36 132.69 2apt n ILE 46 Ca 0.04 0.17 -0.09 0.00 1.00 0.00 0.00 62.75 63.87 2apt n ILE 46 Cb 0.50 -2.36 -0.08 0.00 -0.71 0.00 0.00 39.64 36.99 2apt n ILE 46 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2apt s HIS 47 N -2.51 0.15 0.23 1.39 3.76 -1.22 -0.75 115.29 116.35 2apt s HIS 47 Ca -0.21 -0.54 0.05 0.00 -0.15 0.00 0.00 55.06 54.20 2apt s HIS 47 Cb 0.03 -0.07 -0.02 0.00 1.11 0.00 0.00 32.58 33.63 2apt s HIS 47 CO 0.31 -0.51 0.21 2.48 -0.85 0.00 0.00 174.74 176.39 2apt n TYR 48 N 0.12 -0.62 -3.66 1.40 4.11 -0.15 -1.48 117.16 116.88 2apt n TYR 48 Ca -0.16 -1.94 -0.14 0.00 -0.00 0.00 0.00 57.90 55.66 2apt n TYR 48 Cb 0.61 0.22 -0.08 0.00 -0.00 0.00 0.00 39.34 40.10 2apt n TYR 48 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2apt s SER 49 N -2.63 -0.61 0.00 9.48 0.15 -0.18 -0.61 113.70 119.30 2apt s SER 49 Ca 0.27 1.11 0.23 0.00 0.70 0.00 0.00 55.95 58.26 2apt s SER 49 Cb 0.01 1.12 0.17 0.00 -1.71 0.00 0.00 66.02 65.60 2apt s SER 49 CO 0.19 -0.26 1.18 -1.22 1.20 0.00 0.00 173.24 174.34 2apt n TYR 50 N 2.51 0.00 0.00 3.44 4.01 -1.26 -1.91 117.16 123.95 2apt n TYR 50 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 2apt n TYR 50 Cb 0.56 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 2apt n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2apt n GLY 51 N 1.46 0.78 3.65 2.72 0.00 -1.20 -4.47 105.19 108.13 2apt n GLY 51 Ca 0.07 -1.07 -0.47 0.00 0.00 0.00 0.00 46.02 44.54 2apt n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2apt n ALA 52 N -0.67 0.72 0.00 4.61 0.00 -1.26 -1.27 120.51 122.64 2apt n ALA 52 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2apt n ALA 52 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.19 2apt n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2apt n GLY 53 N 2.89 2.00 3.71 0.00 0.00 0.19 -4.99 105.19 108.98 2apt n GLY 53 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2apt n GLY 53 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2apt s ASN 54 N -2.46 5.54 0.03 1.61 3.84 -0.39 -4.92 114.94 118.18 2apt s ASN 54 Ca 0.00 0.19 0.00 0.00 0.21 0.00 0.00 52.86 53.26 2apt s ASN 54 Cb 0.00 -1.71 -0.02 0.00 -0.55 0.00 0.00 41.25 38.97 2apt s ASN 54 CO 0.00 0.34 -0.03 0.42 -2.79 0.00 0.00 177.10 175.04 2apt s THR 55 N -0.64 0.16 0.02 -5.21 -4.23 -1.26 -4.33 115.64 100.15 2apt s THR 55 Ca 0.11 -1.02 0.03 0.00 -1.18 0.00 0.00 61.69 59.63 2apt s THR 55 Cb -0.12 -0.43 -0.02 0.00 1.34 0.00 0.00 72.50 73.28 2apt s THR 55 CO 0.02 -0.54 -0.10 -1.61 -0.54 0.00 0.00 174.62 171.85 2apt s GLU 56 N -1.73 0.72 0.27 3.99 0.41 0.22 -4.98 118.70 117.60 2apt s GLU 56 Ca -0.13 -0.57 -0.29 0.00 -0.41 0.00 0.00 54.97 53.56 2apt s GLU 56 Cb -0.08 -0.66 -0.09 0.00 -1.78 0.00 0.00 34.13 31.51 2apt s GLU 56 CO -0.02 0.16 1.02 0.15 -0.49 0.00 0.00 175.26 176.09 2apt s LYS 57 N -0.87 4.72 0.00 1.61 1.02 -1.26 -0.98 119.74 123.98 2apt s LYS 57 Ca -0.01 1.64 0.00 0.00 0.02 0.00 0.00 55.97 57.62 2apt s LYS 57 Cb -0.06 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 2apt s LYS 57 CO 0.00 0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.19 2apt n GLY 58 N 1.27 1.69 0.08 -3.33 0.00 0.07 -4.79 105.19 100.18 2apt n GLY 58 Ca -0.01 -1.66 -0.08 0.00 0.00 0.00 0.00 46.02 44.26 2apt n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2apt h ASP 59 N 0.00 0.01 -2.13 1.61 3.32 -1.12 -3.40 116.42 114.72 2apt h ASP 59 Ca 0.00 -0.02 -0.53 0.00 0.02 0.00 0.00 57.03 56.50 2apt h ASP 59 Cb 0.00 -0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.14 2apt h ASP 59 CO 0.00 1.02 -0.95 2.30 -1.72 0.00 0.00 179.24 179.89 2apt n ILE 60 N -3.16 1.27 0.61 0.35 -5.35 -0.89 -4.93 119.36 107.25 2apt n ILE 60 Ca -0.11 -5.03 0.12 0.00 -0.27 0.00 0.00 62.75 57.46 2apt n ILE 60 Cb 1.01 -0.77 0.46 0.00 -1.74 0.00 0.00 39.64 38.60 2apt n ILE 60 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2apt n PRO 61 N 0.05 0.15 -1.85 6.28 -0.04 -1.25 -4.75 135.00 133.60 2apt n PRO 61 Ca 0.28 0.24 -0.42 0.00 -0.04 0.00 0.00 63.50 63.56 2apt n PRO 61 Cb 0.54 -1.72 -0.03 0.00 -0.04 0.00 0.00 33.50 32.25 2apt n PRO 61 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2apt s ASP 62 N -3.92 6.52 0.00 3.54 1.01 -1.26 -2.10 116.67 120.47 2apt s ASP 62 Ca 0.09 2.64 0.00 0.00 0.71 0.00 0.00 52.55 55.99 2apt s ASP 62 Cb 0.12 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.48 2apt s ASP 62 CO 0.47 -0.91 0.00 0.61 0.21 0.00 0.00 175.17 175.55 2apt n GLY 63 N 4.00 2.80 3.15 0.21 0.00 -1.26 -5.06 105.19 109.03 2apt n GLY 63 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 2apt n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2apt s TYR 65 N -2.51 1.36 0.25 1.61 2.02 -0.89 -3.67 117.35 115.53 2apt s TYR 65 Ca 0.00 -0.31 0.10 0.00 -0.37 0.00 0.00 57.07 56.49 2apt s TYR 65 Cb 0.00 -0.84 -0.05 0.00 -0.40 0.00 0.00 41.96 40.67 2apt s TYR 65 CO 0.00 0.02 -0.18 -1.21 -1.57 0.00 0.00 175.55 172.61 2apt s GLU 66 N -0.79 1.53 0.13 -0.62 2.02 -0.06 -4.98 118.70 115.94 2apt s GLU 66 Ca 0.04 -1.69 0.04 0.00 0.02 0.00 0.00 54.97 53.38 2apt s GLU 66 Cb -0.07 -1.50 -0.04 0.00 0.10 0.00 0.00 34.13 32.62 2apt s GLU 66 CO 0.01 0.27 -0.10 0.00 0.02 0.00 0.00 175.26 175.46 2apt s ALA 67 N -2.70 1.35 -0.05 5.21 0.00 -1.26 -0.54 121.76 123.76 2apt s ALA 67 Ca 0.27 -1.44 -0.06 0.00 0.00 0.00 0.00 51.96 50.73 2apt s ALA 67 Cb -0.03 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.16 2apt s ALA 67 CO 0.12 -0.11 0.16 -1.54 0.00 0.00 0.00 175.76 174.39 2apt s SER 68 N -3.08 -0.14 -0.69 0.00 1.04 -0.25 -4.96 113.70 105.62 2apt s SER 68 Ca 0.15 0.24 0.03 0.00 0.48 0.00 0.00 55.95 56.85 2apt s SER 68 Cb 0.02 0.32 0.17 0.00 0.10 0.00 0.00 66.02 66.63 2apt s SER 68 CO -0.00 -0.12 0.49 -0.60 0.98 0.00 0.00 173.24 173.99 2apt s ARG 69 N -0.18 2.52 0.51 4.02 6.06 -1.26 -0.31 118.95 130.31 2apt s ARG 69 Ca -0.03 -3.11 0.28 0.00 -2.50 0.00 0.00 55.73 50.37 2apt s ARG 69 Cb -0.02 -3.53 1.36 0.00 0.06 0.00 0.00 34.95 32.82 2apt s ARG 69 CO 0.00 -1.23 2.02 -1.00 -2.50 0.00 0.00 175.30 172.59 2apt h PRO 70 N 5.89 0.00 -3.52 5.12 0.13 -1.96 0.57 132.00 138.23 2apt h PRO 70 Ca 0.08 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.11 2apt h PRO 70 Cb 0.81 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.89 2apt h PRO 70 CO 0.74 0.13 0.02 -1.54 -0.23 0.00 0.00 178.00 177.12 2apt s SER 71 N -6.08 0.26 0.24 1.44 1.04 -1.26 -4.75 113.70 104.60 2apt s SER 71 Ca -0.02 -1.15 -0.06 0.00 0.48 0.00 0.00 55.95 55.20 2apt s SER 71 Cb 0.12 0.72 0.24 0.00 0.10 0.00 0.00 66.02 67.20 2apt s SER 71 CO 0.59 -1.40 1.87 -0.74 0.98 0.00 0.00 173.24 174.54 2apt h HIS 72 N 2.09 1.22 0.00 5.02 2.76 -1.95 -3.20 115.15 121.10 2apt h HIS 72 Ca -0.28 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.87 2apt h HIS 72 Cb 1.25 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 29.82 2apt h HIS 72 CO 1.08 0.83 -0.26 0.39 -1.30 0.00 0.00 177.93 178.68 2apt n GLU 73 N -4.34 0.28 -4.67 5.26 4.71 -1.26 -4.89 120.64 115.72 2apt n GLU 73 Ca 0.10 0.16 -0.26 0.00 -0.01 0.00 0.00 57.16 57.15 2apt n GLU 73 Cb 0.09 -1.76 -0.17 0.00 -1.01 0.00 0.00 31.44 28.59 2apt n GLU 73 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 2apt s GLN 74 N -3.13 1.94 -0.10 3.49 2.00 -1.21 -0.66 119.66 122.01 2apt s GLN 74 Ca 0.09 -0.49 -0.00 0.00 -2.00 0.00 0.00 55.36 52.95 2apt s GLN 74 Cb 0.13 -1.58 0.02 0.00 0.80 0.00 0.00 33.01 32.38 2apt s GLN 74 CO 0.65 0.04 -0.06 0.12 -0.50 0.00 0.00 175.29 175.54 2apt s PHE 75 N 0.64 1.29 -0.02 1.67 5.36 -0.42 -3.64 117.98 122.85 2apt s PHE 75 Ca -0.15 -0.58 0.02 0.00 -0.96 0.00 0.00 56.93 55.26 2apt s PHE 75 Cb -0.16 -1.10 -0.03 0.00 -0.34 0.00 0.00 43.02 41.38 2apt s PHE 75 CO 0.04 -0.44 -0.06 -1.12 -1.46 0.00 0.00 175.22 172.18 2apt s SER 76 N 1.60 4.67 -0.14 6.13 0.01 0.57 -1.93 113.70 124.61 2apt s SER 76 Ca 0.02 -0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.18 2apt s SER 76 Cb -0.13 -1.13 -0.02 0.00 0.21 0.00 0.00 66.02 64.95 2apt s SER 76 CO -0.06 0.31 -0.11 -0.22 0.41 0.00 0.00 173.24 173.57 2apt s LEU 77 N -1.19 2.81 -0.17 2.44 2.96 -0.15 -1.09 118.68 124.29 2apt s LEU 77 Ca 0.15 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 2apt s LEU 77 Cb -0.11 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 44.94 2apt s LEU 77 CO 0.05 0.16 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.48 2apt s ILE 78 N 0.38 2.75 -0.42 6.68 -1.09 0.29 0.07 121.20 129.87 2apt s ILE 78 Ca -0.09 -0.73 -0.18 0.00 -2.23 0.00 0.00 60.65 57.42 2apt s ILE 78 Cb -0.16 -2.19 0.02 0.00 -1.58 0.00 0.00 42.46 38.56 2apt s ILE 78 CO 0.05 0.50 0.48 -0.76 -1.23 0.00 0.00 174.94 173.98 2apt s LEU 79 N 1.02 4.73 0.23 2.97 1.02 0.77 -0.88 118.68 128.54 2apt s LEU 79 Ca -0.01 -0.54 0.03 0.00 0.02 0.00 0.00 54.13 53.63 2apt s LEU 79 Cb -0.15 -2.47 0.25 0.00 0.02 0.00 0.00 46.19 43.84 2apt s LEU 79 CO -0.03 -0.60 1.57 -0.37 0.02 0.00 0.00 176.35 176.94 2apt h VAL 80 N 5.74 1.36 -1.39 -1.59 -1.51 -1.83 -0.68 116.25 116.36 2apt h VAL 80 Ca -0.26 -1.86 -0.11 0.00 -1.23 0.00 0.00 66.70 63.23 2apt h VAL 80 Cb 1.11 1.89 -0.25 0.00 -2.13 0.00 0.00 31.29 31.91 2apt h VAL 80 CO 0.81 0.56 -0.49 -0.55 -1.23 0.00 0.00 177.57 176.67 2apt s SER 81 N -6.90 -0.50 0.28 4.19 0.15 -1.26 -4.17 113.70 105.50 2apt s SER 81 Ca -0.05 -0.38 -0.29 0.00 0.70 0.00 0.00 55.95 55.93 2apt s SER 81 Cb 0.12 1.49 -0.13 0.00 -1.71 0.00 0.00 66.02 65.79 2apt s SER 81 CO 0.80 -0.30 1.21 0.00 1.20 0.00 0.00 173.24 176.16 2apt n ALA 82 N 5.12 0.55 -2.72 5.45 0.00 -0.01 -4.61 120.51 124.29 2apt n ALA 82 Ca 0.05 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.71 2apt n ALA 82 Cb 0.52 -2.16 -0.12 0.00 0.00 0.00 0.00 19.45 17.69 2apt n ALA 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2apt s THR 83 N -0.75 0.94 0.57 0.00 -4.23 -1.26 -0.33 115.64 110.58 2apt s THR 83 Ca 0.61 -1.28 0.28 0.00 -1.18 0.00 0.00 61.69 60.12 2apt s THR 83 Cb -0.66 -0.98 0.38 0.00 1.34 0.00 0.00 72.50 72.58 2apt s THR 83 CO 0.58 -0.30 1.99 -0.65 -0.54 0.00 0.00 174.62 175.69 2apt h PRO 84 N 4.27 0.00 0.00 3.99 0.11 -1.91 0.12 132.00 138.58 2apt h PRO 84 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2apt h PRO 84 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2apt h PRO 84 CO 0.42 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.08 2apt n SER 85 N -3.96 0.27 -0.09 -2.05 3.41 -1.26 -1.87 113.62 108.08 2apt n SER 85 Ca 0.07 0.56 0.15 0.00 -0.26 0.00 0.00 58.87 59.38 2apt n SER 85 Cb 0.56 -0.62 0.72 0.00 -0.26 0.00 0.00 64.21 64.61 2apt n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2apt n GLN 86 N -1.79 0.78 -1.82 4.33 6.02 0.43 -4.84 117.38 120.49 2apt n GLN 86 Ca 0.04 -0.18 -0.42 0.00 -0.01 0.00 0.00 57.00 56.42 2apt n GLN 86 Cb 0.23 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.97 2apt n GLN 86 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2apt s SER 87 N -2.35 6.52 0.08 1.08 0.01 -0.78 -4.89 113.70 113.37 2apt s SER 87 Ca 0.34 2.57 -0.22 0.00 1.31 0.00 0.00 55.95 59.95 2apt s SER 87 Cb 0.21 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 63.96 2apt s SER 87 CO 0.44 -0.97 1.02 -0.24 0.41 0.00 0.00 173.24 173.90 2apt n SER 88 N 6.39 -1.32 -4.46 2.44 2.88 -0.80 -5.00 113.62 113.74 2apt n SER 88 Ca 0.18 -1.53 -0.36 0.00 -1.33 0.00 0.00 58.87 55.83 2apt n SER 88 Cb 0.40 2.11 -0.12 0.00 -0.75 0.00 0.00 64.21 65.85 2apt n SER 88 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2apt s VAL 89 N -2.07 4.21 -0.13 2.46 1.01 -1.24 -0.86 120.40 123.76 2apt s VAL 89 Ca 0.23 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 2apt s VAL 89 Cb -0.02 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2apt s VAL 89 CO 0.02 0.39 0.10 -0.31 0.00 0.00 0.00 175.10 175.30 2apt s TYR 90 N 1.26 3.45 -0.08 5.22 1.51 -0.27 -0.39 117.35 128.06 2apt s TYR 90 Ca 0.04 0.38 0.00 0.00 -1.01 0.00 0.00 57.07 56.49 2apt s TYR 90 Cb -0.15 -1.96 0.02 0.00 -0.11 0.00 0.00 41.96 39.77 2apt s TYR 90 CO 0.02 0.56 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.89 2apt s PHE 91 N -0.63 1.23 0.13 2.71 0.08 0.02 -0.54 117.98 120.98 2apt s PHE 91 Ca 0.12 -0.51 -0.10 0.00 0.12 0.00 0.00 56.93 56.56 2apt s PHE 91 Cb -0.12 -1.03 -0.06 0.00 -0.57 0.00 0.00 43.02 41.24 2apt s PHE 91 CO 0.02 -0.37 0.45 0.00 -0.10 0.00 0.00 175.22 175.22 2apt s ALA 93 N -1.54 0.25 0.22 0.00 0.00 -0.00 -1.03 121.76 119.65 2apt s ALA 93 Ca 0.38 -0.91 0.10 0.00 0.00 0.00 0.00 51.96 51.53 2apt s ALA 93 Cb -0.13 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2apt s ALA 93 CO 0.20 -0.34 -0.14 -1.54 0.00 0.00 0.00 175.76 173.94 2apt s SER 94 N -2.51 3.96 0.04 0.00 1.04 -0.38 -0.57 113.70 115.29 2apt s SER 94 Ca 0.01 -0.75 -0.28 0.00 0.48 0.00 0.00 55.95 55.41 2apt s SER 94 Cb 0.03 -0.54 0.07 0.00 0.10 0.00 0.00 66.02 65.68 2apt s SER 94 CO -0.08 0.08 0.65 -0.83 0.98 0.00 0.00 173.24 174.04 2apt s GLY 95 N -3.05 -0.59 0.03 7.32 0.00 -0.69 -0.66 107.32 109.68 2apt s GLY 95 Ca 0.26 0.97 0.05 0.00 0.00 0.00 0.00 44.72 46.00 2apt s GLY 95 CO 0.14 0.62 -0.14 0.14 0.00 0.00 0.00 173.10 173.86 2apt s VAL 96 N -2.29 1.10 0.00 1.40 1.01 -1.19 -3.31 120.40 117.12 2apt s VAL 96 Ca -0.06 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.97 2apt s VAL 96 Cb -0.00 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2apt s VAL 96 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2apt n GLY 97 N 2.00 2.94 0.52 4.51 0.00 -1.26 -0.82 105.19 113.07 2apt n GLY 97 Ca -0.18 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.70 2apt n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2apt n GLY 98 N 0.00 0.26 3.73 -0.02 0.00 -1.26 -4.92 105.19 102.97 2apt n GLY 98 Ca 0.00 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 2apt n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2apt s THR 99 N -1.72 4.60 -0.06 2.61 2.01 0.00 -5.07 115.64 118.01 2apt s THR 99 Ca 0.27 1.96 0.03 0.00 0.31 0.00 0.00 61.69 64.27 2apt s THR 99 Cb 0.14 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.39 2apt s THR 99 CO 0.21 0.31 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.56 2apt s LEU 100 N 0.10 1.74 -0.31 4.42 2.01 -1.26 -3.16 118.68 122.22 2apt s LEU 100 Ca 0.45 -0.31 0.02 0.00 0.01 0.00 0.00 54.13 54.31 2apt s LEU 100 Cb -0.22 -0.86 0.09 0.00 0.01 0.00 0.00 46.19 45.21 2apt s LEU 100 CO 0.28 0.07 0.03 -0.47 1.01 0.00 0.00 176.35 177.27 2apt s TYR 101 N 0.45 3.04 0.28 0.29 6.14 0.17 -4.97 117.35 122.75 2apt s TYR 101 Ca -0.11 -2.46 -0.20 0.00 0.64 0.00 0.00 57.07 54.94 2apt s TYR 101 Cb -0.14 -2.35 -0.09 0.00 0.42 0.00 0.00 41.96 39.80 2apt s TYR 101 CO 0.03 -0.90 0.78 -0.06 0.64 0.00 0.00 175.55 176.04 2apt s PHE 108 N 1.16 3.57 1.07 4.97 0.08 -1.26 -1.25 117.98 126.32 2apt s PHE 108 Ca 0.06 1.43 -0.17 0.00 0.12 0.00 0.00 56.93 58.37 2apt s PHE 108 Cb -0.19 -2.67 0.23 0.00 -0.57 0.00 0.00 43.02 39.83 2apt s PHE 108 CO -0.11 0.23 1.19 0.20 -0.10 0.00 0.00 175.22 176.62 2apt s GLY 109 N -1.83 1.65 0.00 4.36 0.00 -0.20 -4.76 107.32 106.55 2apt s GLY 109 Ca 0.48 -0.96 0.28 0.00 0.00 0.00 0.00 44.72 44.51 2apt s GLY 109 CO 0.20 -0.18 1.75 0.00 0.00 0.00 0.00 173.10 174.87 2apt n ALA 110 N -4.24 2.80 0.00 3.20 0.00 -1.26 -4.78 120.51 116.23 2apt n ALA 110 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2apt n ALA 110 Cb 0.59 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2apt n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2apt n GLY 111 N 1.47 2.37 2.97 0.00 0.00 -1.26 -5.03 105.19 105.70 2apt n GLY 111 Ca 0.08 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 2apt n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2apt s THR 112 N -2.25 1.48 -0.10 2.61 2.01 0.30 -4.78 115.64 114.92 2apt s THR 112 Ca 0.00 -0.82 -0.29 0.00 0.31 0.00 0.00 61.69 60.89 2apt s THR 112 Cb 0.00 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.95 2apt s THR 112 CO 0.00 0.22 0.96 -0.13 -0.69 0.00 0.00 174.62 174.99 2apt s ARG 113 N 1.48 4.43 -0.07 4.92 0.52 -0.80 -1.11 118.95 128.31 2apt s ARG 113 Ca 0.01 1.32 0.04 0.00 -0.52 0.00 0.00 55.73 56.58 2apt s ARG 113 Cb -0.15 -3.53 -0.00 0.00 0.52 0.00 0.00 34.95 31.79 2apt s ARG 113 CO -0.09 -0.26 -0.20 -1.17 0.02 0.00 0.00 175.30 173.60 2apt s LEU 114 N 1.82 1.96 -0.10 2.53 0.20 -0.04 -1.08 118.68 123.96 2apt s LEU 114 Ca 0.47 -0.45 0.01 0.00 0.69 0.00 0.00 54.13 54.85 2apt s LEU 114 Cb -0.18 -1.19 0.02 0.00 -0.43 0.00 0.00 46.19 44.40 2apt s LEU 114 CO 0.19 0.15 -0.13 -0.55 -0.29 0.00 0.00 176.35 175.72 2apt s SER 115 N 0.23 2.25 -0.15 3.68 0.15 -0.52 -1.91 113.70 117.44 2apt s SER 115 Ca -0.12 -0.38 -0.04 0.00 0.70 0.00 0.00 55.95 56.12 2apt s SER 115 Cb -0.15 -0.98 -0.03 0.00 -1.71 0.00 0.00 66.02 63.14 2apt s SER 115 CO 0.05 -0.02 -0.01 -0.69 1.20 0.00 0.00 173.24 173.78 2apt s VAL 116 N 1.12 4.14 -2.53 4.45 1.01 -1.26 -1.19 120.40 126.14 2apt s VAL 116 Ca -0.05 -0.27 0.20 0.00 0.00 0.00 0.00 61.98 61.86 2apt s VAL 116 Cb -0.14 -2.82 0.16 0.00 0.00 0.00 0.00 36.38 33.58 2apt s VAL 116 CO -0.03 0.50 1.14 0.18 0.00 0.00 0.00 175.10 176.89