#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2apx n ALA 3 N 0.00 2.02 -3.70 0.00 0.00 -1.26 -4.66 120.51 112.92 2apx n ALA 3 Ca 0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 53.44 53.10 2apx n ALA 3 Cb 0.00 -1.36 -0.17 0.00 0.00 0.00 0.00 19.45 17.92 2apx n ALA 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2apx s VAL 4 N -3.00 1.19 -0.11 0.00 1.01 -1.26 -0.13 120.40 118.10 2apx s VAL 4 Ca 0.11 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.66 2apx s VAL 4 Cb 0.15 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.41 2apx s VAL 4 CO 0.41 0.38 -0.19 -0.89 0.00 0.00 0.00 175.10 174.81 2apx s THR 5 N 1.16 1.79 -0.12 3.92 2.01 0.60 -4.49 115.64 120.51 2apx s THR 5 Ca -0.05 -0.83 -0.05 0.00 0.31 0.00 0.00 61.69 61.07 2apx s THR 5 Cb -0.14 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 2apx s THR 5 CO -0.03 0.50 0.07 -1.10 -0.69 0.00 0.00 174.62 173.37 2apx s GLN 6 N 0.76 3.36 -0.04 4.92 -0.21 -1.26 -0.34 119.66 126.85 2apx s GLN 6 Ca -0.10 -0.29 -0.02 0.00 0.02 0.00 0.00 55.36 54.97 2apx s GLN 6 Cb -0.16 -3.03 0.02 0.00 1.00 0.00 0.00 33.01 30.85 2apx s GLN 6 CO 0.01 0.64 0.08 -1.54 -2.12 0.00 0.00 175.29 172.36 2apx s SER 7 N -0.67 -0.04 0.82 5.90 1.04 -0.10 -4.09 113.70 116.56 2apx s SER 7 Ca 0.12 0.16 -0.11 0.00 0.48 0.00 0.00 55.95 56.59 2apx s SER 7 Cb -0.12 0.10 0.08 0.00 0.10 0.00 0.00 66.02 66.18 2apx s SER 7 CO 0.02 -0.09 1.09 -2.16 0.98 0.00 0.00 173.24 173.09 2apx s PRO 8 N 0.66 1.89 0.26 4.02 0.04 -1.26 -0.38 135.00 140.23 2apx s PRO 8 Ca -0.05 0.80 0.14 0.00 0.04 0.00 0.00 61.00 61.93 2apx s PRO 8 Cb -0.07 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.63 2apx s PRO 8 CO -0.03 -1.79 1.43 0.00 0.04 0.00 0.00 177.00 176.65 2apx h ARG 9 N -1.22 0.00 -4.92 4.56 2.47 -1.86 -3.44 114.38 109.96 2apx h ARG 9 Ca -0.47 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 57.92 2apx h ARG 9 Cb 1.26 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.37 2apx h ARG 9 CO 0.56 0.56 -0.75 -0.80 0.56 0.00 0.00 179.97 180.10 2apx s ASN 10 N -6.49 1.25 -0.10 7.04 0.01 -1.26 -2.12 114.94 113.27 2apx s ASN 10 Ca 0.04 -0.61 -0.05 0.00 -0.71 0.00 0.00 52.86 51.53 2apx s ASN 10 Cb 0.08 -0.00 0.05 0.00 0.41 0.00 0.00 41.25 41.78 2apx s ASN 10 CO 0.75 -0.16 0.22 -0.75 -1.51 0.00 0.00 177.10 175.65 2apx s LYS 11 N -1.80 0.17 -0.26 -0.60 2.47 -0.21 -4.96 119.74 114.55 2apx s LYS 11 Ca -0.05 0.51 -0.05 0.00 -1.56 0.00 0.00 55.97 54.82 2apx s LYS 11 Cb -0.09 -0.13 -0.00 0.00 -1.46 0.00 0.00 37.83 36.15 2apx s LYS 11 CO 0.01 -0.18 0.01 0.08 0.16 0.00 0.00 175.35 175.44 2apx s VAL 12 N 1.35 3.65 0.18 4.02 1.01 -1.26 -1.35 120.40 128.00 2apx s VAL 12 Ca -0.08 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.40 2apx s VAL 12 Cb -0.11 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2apx s VAL 12 CO -0.08 0.26 -0.17 0.00 0.00 0.00 0.00 175.10 175.10 2apx s ALA 13 N 1.48 2.72 -0.05 5.51 0.00 0.87 -4.99 121.76 127.31 2apx s ALA 13 Ca 0.04 -1.56 -0.12 0.00 0.00 0.00 0.00 51.96 50.32 2apx s ALA 13 Cb -0.16 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 2apx s ALA 13 CO -0.00 0.45 0.32 0.08 0.00 0.00 0.00 175.76 176.61 2apx s VAL 14 N -1.67 5.19 -0.10 0.00 1.01 -1.26 -0.21 120.40 123.36 2apx s VAL 14 Ca 0.22 0.63 -0.40 0.00 0.00 0.00 0.00 61.98 62.43 2apx s VAL 14 Cb -0.08 -3.61 -0.19 0.00 0.00 0.00 0.00 36.38 32.50 2apx s VAL 14 CO 0.12 0.58 1.29 0.41 0.00 0.00 0.00 175.10 177.50 2apx n THR 15 N 2.00 0.03 0.00 3.92 -1.04 0.88 -1.56 114.28 118.50 2apx n THR 15 Ca -0.16 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2apx n THR 15 Cb 0.53 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 2apx n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2apx n GLY 16 N 2.45 3.40 3.77 3.41 0.00 0.22 -4.92 105.19 113.52 2apx n GLY 16 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 2apx n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2apx s GLU 17 N -0.89 3.96 0.11 1.61 2.02 -0.60 -4.26 118.70 120.65 2apx s GLU 17 Ca 0.00 1.85 -0.30 0.00 0.02 0.00 0.00 54.97 56.54 2apx s GLU 17 Cb 0.00 -2.61 -0.06 0.00 0.10 0.00 0.00 34.13 31.57 2apx s GLU 17 CO 0.00 -0.41 1.01 0.21 0.02 0.00 0.00 175.26 176.09 2apx s LYS 18 N -2.41 4.65 -0.09 1.61 2.20 -1.24 -0.55 119.74 123.90 2apx s LYS 18 Ca 0.59 1.53 0.02 0.00 -0.36 0.00 0.00 55.97 57.74 2apx s LYS 18 Cb -0.31 -3.36 0.01 0.00 -1.51 0.00 0.00 37.83 32.66 2apx s LYS 18 CO 0.38 0.13 -0.15 0.08 -0.36 0.00 0.00 175.35 175.43 2apx s VAL 19 N 0.12 1.41 -0.17 4.02 1.01 0.11 -4.98 120.40 121.92 2apx s VAL 19 Ca 0.49 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 2apx s VAL 19 Cb -0.25 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.85 2apx s VAL 19 CO 0.31 0.42 -0.15 -0.89 0.00 0.00 0.00 175.10 174.79 2apx s THR 20 N 0.87 2.58 -0.16 3.92 2.01 -1.26 0.01 115.64 123.60 2apx s THR 20 Ca -0.10 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.07 2apx s THR 20 Cb -0.15 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 2apx s THR 20 CO 0.01 0.51 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.68 2apx s LEU 21 N 1.03 3.41 -0.09 4.42 1.43 0.64 -4.65 118.68 124.86 2apx s LEU 21 Ca -0.01 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2apx s LEU 21 Cb -0.15 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 2apx s LEU 21 CO -0.04 0.19 -0.04 -0.55 0.23 0.00 0.00 176.35 176.15 2apx s SER 22 N 0.25 4.91 -0.16 2.29 0.15 0.49 -0.52 113.70 121.10 2apx s SER 22 Ca -0.01 0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.67 2apx s SER 22 Cb -0.13 -1.39 0.02 0.00 -1.71 0.00 0.00 66.02 62.80 2apx s SER 22 CO 0.02 0.34 -0.18 0.00 1.20 0.00 0.00 173.24 174.62 2apx s GLN 24 N 1.33 2.58 0.12 0.00 2.00 0.53 -1.13 119.66 125.10 2apx s GLN 24 Ca 0.04 -0.83 0.09 0.00 -2.00 0.00 0.00 55.36 52.65 2apx s GLN 24 Cb -0.13 -2.09 -0.04 0.00 0.80 0.00 0.00 33.01 31.55 2apx s GLN 24 CO -0.11 0.27 -0.21 1.14 -0.50 0.00 0.00 175.29 175.88 2apx s GLN 25 N 0.09 1.18 -0.07 1.67 -2.07 -0.46 -0.29 119.66 119.71 2apx s GLN 25 Ca -0.10 -1.23 0.11 0.00 -1.82 0.00 0.00 55.36 52.32 2apx s GLN 25 Cb -0.15 -1.42 0.29 0.00 -1.09 0.00 0.00 33.01 30.64 2apx s GLN 25 CO 0.05 0.32 1.22 0.25 -1.32 0.00 0.00 175.29 175.82 2apx n THR 26 N 0.90 1.50 0.48 3.63 -2.24 0.82 -4.68 114.28 114.70 2apx n THR 26 Ca -0.18 -1.47 0.13 0.00 -2.27 0.00 0.00 64.05 60.26 2apx n THR 26 Cb 0.54 0.16 0.32 0.00 -2.10 0.00 0.00 70.33 69.25 2apx n THR 26 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2apx h ASN 27 N 1.12 0.00 -1.66 3.42 -0.26 -1.96 -3.47 115.58 112.77 2apx h ASN 27 Ca 0.00 -0.00 -0.40 0.00 -0.56 0.00 0.00 56.30 55.34 2apx h ASN 27 Cb 0.92 0.00 -0.10 0.00 -1.06 0.00 0.00 38.32 38.07 2apx h ASN 27 CO 0.06 0.00 -0.42 -3.20 -1.06 0.00 0.00 177.43 172.81 2apx n ASN 28 N -2.56 -5.45 -4.76 5.81 5.15 -1.26 -4.95 115.26 107.23 2apx n ASN 28 Ca 0.05 0.29 -0.40 0.00 -0.60 0.00 0.00 54.58 53.92 2apx n ASN 28 Cb 0.47 -4.60 -0.04 0.00 -0.53 0.00 0.00 39.78 35.08 2apx n ASN 28 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2apx s HIS 29 N -2.82 3.47 0.24 1.20 3.76 -1.26 -4.95 115.29 114.92 2apx s HIS 29 Ca 0.00 1.67 -0.03 0.00 -0.15 0.00 0.00 55.06 56.54 2apx s HIS 29 Cb 0.00 -3.28 0.26 0.00 1.11 0.00 0.00 32.58 30.67 2apx s HIS 29 CO 0.00 -0.68 1.71 -0.91 -0.85 0.00 0.00 174.74 174.01 2apx h ASN 30 N 3.49 0.81 -3.00 1.40 2.35 -1.90 -3.45 115.58 115.29 2apx h ASN 30 Ca -0.47 -0.22 -0.65 0.00 -0.55 0.00 0.00 56.30 54.40 2apx h ASN 30 Cb 1.21 -0.22 -0.09 0.00 0.05 0.00 0.00 38.32 39.28 2apx h ASN 30 CO 0.66 0.90 -0.55 0.20 -1.65 0.00 0.00 177.43 176.99 2apx s ASN 31 N -6.66 5.90 0.09 5.81 0.02 0.08 -3.17 114.94 117.01 2apx s ASN 31 Ca -0.10 0.22 0.03 0.00 -1.02 0.00 0.00 52.86 52.00 2apx s ASN 31 Cb 0.14 -1.76 -0.03 0.00 0.02 0.00 0.00 41.25 39.62 2apx s ASN 31 CO 0.82 0.28 -0.10 -0.04 0.02 0.00 0.00 177.10 178.09 2apx s MET 32 N -1.70 0.80 -0.05 -0.60 -1.94 -0.51 -1.01 119.30 114.28 2apx s MET 32 Ca 0.23 -1.10 -0.06 0.00 -1.71 0.00 0.00 55.69 53.04 2apx s MET 32 Cb -0.12 -0.49 0.01 0.00 2.01 0.00 0.00 34.83 36.25 2apx s MET 32 CO 0.14 0.07 0.16 0.71 -0.01 0.00 0.00 175.02 176.09 2apx s TYR 33 N -2.33 -0.13 -0.11 -0.03 1.51 0.14 -0.77 117.35 115.62 2apx s TYR 33 Ca 0.03 0.32 0.03 0.00 -1.01 0.00 0.00 57.07 56.44 2apx s TYR 33 Cb -0.04 0.04 0.01 0.00 -0.11 0.00 0.00 41.96 41.86 2apx s TYR 33 CO -0.00 -0.13 -0.20 -1.58 -1.11 0.00 0.00 175.55 172.53 2apx s TRP 34 N -0.22 2.37 0.22 2.71 0.52 -0.36 -1.56 118.94 122.62 2apx s TRP 34 Ca -0.03 -1.08 0.11 0.00 0.02 0.00 0.00 56.10 55.12 2apx s TRP 34 Cb -0.03 -1.63 -0.05 0.00 -1.15 0.00 0.00 33.47 30.62 2apx s TRP 34 CO 0.01 -0.49 -0.20 0.71 0.02 0.00 0.00 176.95 177.00 2apx s TYR 35 N 0.68 2.36 -0.06 -1.98 1.51 0.69 -0.75 117.35 119.80 2apx s TYR 35 Ca -0.12 -0.33 0.05 0.00 -1.01 0.00 0.00 57.07 55.67 2apx s TYR 35 Cb -0.16 -1.11 -0.02 0.00 -0.11 0.00 0.00 41.96 40.56 2apx s TYR 35 CO 0.02 0.58 -0.21 0.50 -1.11 0.00 0.00 175.55 175.33 2apx s ARG 36 N -3.01 2.59 -0.34 -0.62 3.52 -0.24 -1.12 118.95 119.74 2apx s ARG 36 Ca 0.25 -0.82 0.02 0.00 -0.13 0.00 0.00 55.73 55.04 2apx s ARG 36 Cb -0.07 -2.27 0.10 0.00 -1.56 0.00 0.00 34.95 31.15 2apx s ARG 36 CO 0.13 0.45 0.09 -1.14 -0.81 0.00 0.00 175.30 174.01 2apx s GLN 37 N -0.31 1.19 0.50 5.12 0.74 0.34 -0.22 119.66 127.01 2apx s GLN 37 Ca 0.01 -1.60 -0.20 0.00 0.05 0.00 0.00 55.36 53.62 2apx s GLN 37 Cb -0.13 -2.68 -0.08 0.00 1.10 0.00 0.00 33.01 31.22 2apx s GLN 37 CO 0.02 -0.98 1.05 -0.51 -0.55 0.00 0.00 175.29 174.33 2apx s ASP 38 N 1.10 6.24 -0.07 6.67 -0.00 -1.26 -3.24 116.67 126.11 2apx s ASP 38 Ca 0.11 1.96 -0.37 0.00 -0.00 0.00 0.00 52.55 54.25 2apx s ASP 38 Cb -0.19 -2.56 -0.15 0.00 -0.00 0.00 0.00 42.92 40.02 2apx s ASP 38 CO -0.14 -0.85 1.66 0.41 -0.00 0.00 0.00 175.17 176.24 2apx n THR 39 N -1.04 0.25 -0.60 -1.27 -1.04 -1.26 -0.78 114.28 108.54 2apx n THR 39 Ca 0.10 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2apx n THR 39 Cb 0.52 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 2apx n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2apx n GLY 40 N 3.72 0.78 3.61 3.41 0.00 -1.26 -5.04 105.19 110.41 2apx n GLY 40 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 2apx n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2apx s HIS 41 N -2.97 2.11 0.93 1.61 4.02 0.04 -5.15 115.29 115.88 2apx s HIS 41 Ca 0.00 -0.90 -0.13 0.00 1.02 0.00 0.00 55.06 55.05 2apx s HIS 41 Cb 0.00 -1.54 0.20 0.00 -1.02 0.00 0.00 32.58 30.22 2apx s HIS 41 CO 0.00 0.19 1.28 0.20 1.02 0.00 0.00 174.74 177.42 2apx s GLY 42 N -3.70 1.80 -0.10 -2.22 0.00 -1.26 -4.67 107.32 97.16 2apx s GLY 42 Ca 0.25 -1.39 -0.30 0.00 0.00 0.00 0.00 44.72 43.29 2apx s GLY 42 CO 0.13 -0.62 1.33 1.08 0.00 0.00 0.00 173.10 175.02 2apx s LEU 43 N -5.78 4.24 -0.16 0.66 1.43 -1.26 -4.38 118.68 113.43 2apx s LEU 43 Ca 0.74 1.86 -0.06 0.00 -1.03 0.00 0.00 54.13 55.64 2apx s LEU 43 Cb -0.03 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 2apx s LEU 43 CO 0.52 -0.75 0.04 -0.13 0.23 0.00 0.00 176.35 176.26 2apx s ARG 44 N 3.20 3.72 -0.19 1.70 0.52 0.69 -4.91 118.95 123.68 2apx s ARG 44 Ca 0.59 -0.37 -0.29 0.00 -0.52 0.00 0.00 55.73 55.14 2apx s ARG 44 Cb -0.25 -3.09 -0.00 0.00 0.52 0.00 0.00 34.95 32.13 2apx s ARG 44 CO 0.20 0.38 1.10 -1.17 0.02 0.00 0.00 175.30 175.83 2apx s LEU 45 N 0.05 4.14 -0.13 2.53 2.96 -1.26 -1.07 118.68 125.90 2apx s LEU 45 Ca 0.04 1.50 -0.09 0.00 -0.22 0.00 0.00 54.13 55.35 2apx s LEU 45 Cb -0.12 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 2apx s LEU 45 CO 0.01 -0.67 -0.18 -0.38 -1.32 0.00 0.00 176.35 173.81 2apx n ILE 46 N 5.23 1.24 -3.96 6.68 5.41 0.07 -0.66 119.36 133.37 2apx n ILE 46 Ca 0.12 0.24 -0.08 0.00 1.00 0.00 0.00 62.75 64.03 2apx n ILE 46 Cb 0.46 -2.27 -0.08 0.00 -0.71 0.00 0.00 39.64 37.04 2apx n ILE 46 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2apx s HIS 47 N -2.18 0.32 0.30 1.39 3.76 -1.21 -0.53 115.29 117.15 2apx s HIS 47 Ca -0.15 -0.79 0.02 0.00 -0.15 0.00 0.00 55.06 53.99 2apx s HIS 47 Cb 0.02 -0.20 -0.01 0.00 1.11 0.00 0.00 32.58 33.51 2apx s HIS 47 CO 0.22 -0.49 0.35 2.48 -0.85 0.00 0.00 174.74 176.45 2apx n TYR 48 N -0.01 -1.05 -3.68 1.40 4.11 -0.26 -1.22 117.16 116.46 2apx n TYR 48 Ca -0.14 -2.25 -0.10 0.00 -0.00 0.00 0.00 57.90 55.40 2apx n TYR 48 Cb 0.62 0.38 -0.09 0.00 -0.00 0.00 0.00 39.34 40.25 2apx n TYR 48 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2apx s SER 49 N -2.97 -0.66 0.00 9.48 0.15 0.05 -0.30 113.70 119.44 2apx s SER 49 Ca 0.30 1.14 0.27 0.00 0.70 0.00 0.00 55.95 58.36 2apx s SER 49 Cb 0.00 1.06 0.85 0.00 -1.71 0.00 0.00 66.02 66.22 2apx s SER 49 CO 0.21 -0.21 1.63 -1.22 1.20 0.00 0.00 173.24 174.86 2apx n TYR 50 N 3.80 0.00 0.00 3.44 4.01 -1.26 -1.43 117.16 125.73 2apx n TYR 50 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 2apx n TYR 50 Cb 0.57 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 2apx n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2apx n GLY 51 N 1.23 1.47 3.56 2.72 0.00 -1.19 -4.56 105.19 108.42 2apx n GLY 51 Ca 0.17 -1.19 -0.55 0.00 0.00 0.00 0.00 46.02 44.45 2apx n GLY 51 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2apx n VAL 52 N -1.06 0.00 0.00 1.61 3.14 -1.26 -0.85 118.33 119.91 2apx n VAL 52 Ca 0.00 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2apx n VAL 52 Cb 0.00 -0.55 0.00 0.00 -1.06 0.00 0.00 33.84 32.23 2apx n VAL 52 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2apx n GLY 53 N 2.20 2.51 3.76 7.55 0.00 0.11 -5.01 105.19 116.32 2apx n GLY 53 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 2apx n GLY 53 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2apx s ASN 54 N -3.52 6.14 0.04 1.61 3.84 -0.03 -4.91 114.94 118.10 2apx s ASN 54 Ca 0.00 0.29 0.03 0.00 0.21 0.00 0.00 52.86 53.39 2apx s ASN 54 Cb 0.00 -2.03 -0.02 0.00 -0.55 0.00 0.00 41.25 38.65 2apx s ASN 54 CO 0.00 0.27 -0.10 0.42 -2.79 0.00 0.00 177.10 174.90 2apx s THR 55 N -0.18 0.78 -0.03 -5.21 -4.23 -1.26 -4.37 115.64 101.14 2apx s THR 55 Ca 0.10 -0.91 0.03 0.00 -1.18 0.00 0.00 61.69 59.72 2apx s THR 55 Cb -0.12 -0.75 0.00 0.00 1.34 0.00 0.00 72.50 72.98 2apx s THR 55 CO 0.01 -0.13 -0.10 -1.61 -0.54 0.00 0.00 174.62 172.24 2apx s GLU 56 N -1.16 1.14 0.22 3.99 0.41 0.58 -4.98 118.70 118.89 2apx s GLU 56 Ca -0.03 -0.36 -0.30 0.00 -0.41 0.00 0.00 54.97 53.87 2apx s GLU 56 Cb -0.08 -1.04 -0.09 0.00 -1.78 0.00 0.00 34.13 31.14 2apx s GLU 56 CO 0.01 0.12 1.40 0.15 -0.49 0.00 0.00 175.26 176.45 2apx s LYS 57 N 0.22 4.31 0.00 1.61 1.02 -1.26 -1.10 119.74 124.53 2apx s LYS 57 Ca -0.04 2.21 0.00 0.00 0.02 0.00 0.00 55.97 58.16 2apx s LYS 57 Cb -0.10 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.06 2apx s LYS 57 CO 0.01 -0.38 0.00 0.41 -0.92 0.00 0.00 175.35 174.47 2apx n GLY 58 N 2.47 1.05 0.08 -3.33 0.00 0.31 -4.82 105.19 100.95 2apx n GLY 58 Ca 0.07 -1.53 -0.05 0.00 0.00 0.00 0.00 46.02 44.52 2apx n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2apx h ASP 59 N 0.00 0.00 -2.04 1.61 3.32 -1.07 -3.39 116.42 114.85 2apx h ASP 59 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 2apx h ASP 59 Cb 0.00 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.14 2apx h ASP 59 CO 0.00 0.85 -0.82 2.30 -1.72 0.00 0.00 179.24 179.85 2apx n ILE 60 N -3.07 2.06 0.27 0.35 -5.35 -0.61 -4.92 119.36 108.09 2apx n ILE 60 Ca -0.11 -5.11 0.15 0.00 -0.27 0.00 0.00 62.75 57.42 2apx n ILE 60 Cb 0.95 -0.98 0.46 0.00 -1.74 0.00 0.00 39.64 38.33 2apx n ILE 60 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2apx h PRO 61 N 2.93 0.00 -6.67 6.28 0.13 -1.77 -3.43 132.00 129.48 2apx h PRO 61 Ca 0.13 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.74 2apx h PRO 61 Cb 0.71 0.00 0.05 0.00 0.13 0.00 0.00 31.00 31.90 2apx h PRO 61 CO 0.73 0.00 0.88 -0.51 -0.23 0.00 0.00 178.00 178.87 2apx s ASP 62 N -5.83 6.53 -0.63 1.44 1.01 -1.26 -1.74 116.67 116.19 2apx s ASP 62 Ca 0.04 2.71 0.00 0.00 0.71 0.00 0.00 52.55 56.01 2apx s ASP 62 Cb 0.07 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2apx s ASP 62 CO 0.59 -0.84 0.00 0.61 0.21 0.00 0.00 175.17 175.74 2apx n GLY 63 N 3.30 0.08 3.04 0.21 0.00 -1.26 -5.05 105.19 105.51 2apx n GLY 63 Ca 0.12 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 2apx n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2apx s TYR 65 N -2.36 0.02 0.38 1.61 2.02 -0.71 -4.16 117.35 114.15 2apx s TYR 65 Ca 0.00 -0.05 0.08 0.00 -0.37 0.00 0.00 57.07 56.73 2apx s TYR 65 Cb 0.00 -0.04 -0.07 0.00 -0.40 0.00 0.00 41.96 41.45 2apx s TYR 65 CO 0.00 -0.19 0.02 -1.21 -1.57 0.00 0.00 175.55 172.60 2apx s GLU 66 N -0.89 2.00 0.13 -0.62 2.02 0.31 -4.98 118.70 116.66 2apx s GLU 66 Ca -0.10 -1.96 -0.00 0.00 0.02 0.00 0.00 54.97 52.94 2apx s GLU 66 Cb -0.06 -1.77 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 2apx s GLU 66 CO 0.01 0.02 0.02 0.00 0.02 0.00 0.00 175.26 175.33 2apx s ALA 67 N -2.63 0.94 -0.11 5.21 0.00 -1.26 -0.92 121.76 122.99 2apx s ALA 67 Ca 0.35 -1.46 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 2apx s ALA 67 Cb 0.05 0.67 0.04 0.00 0.00 0.00 0.00 23.12 23.88 2apx s ALA 67 CO 0.19 -0.42 0.26 0.45 0.00 0.00 0.00 175.76 176.24 2apx s SER 68 N -3.06 -0.28 -0.76 0.00 0.15 -0.24 -4.95 113.70 104.56 2apx s SER 68 Ca 0.21 0.55 0.03 0.00 0.70 0.00 0.00 55.95 57.44 2apx s SER 68 Cb 0.07 0.47 0.20 0.00 -1.71 0.00 0.00 66.02 65.05 2apx s SER 68 CO 0.00 -0.14 0.62 -1.14 1.20 0.00 0.00 173.24 173.78 2apx n ARG 69 N 3.81 2.18 0.11 5.44 3.00 -1.26 -0.64 116.66 129.31 2apx n ARG 69 Ca -0.21 -4.52 0.13 0.00 -0.00 0.00 0.00 57.85 53.25 2apx n ARG 69 Cb 0.55 -2.32 0.43 0.00 0.00 0.00 0.00 32.46 31.12 2apx n ARG 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2apx n PRO 70 N 1.89 0.25 -3.80 -0.14 -0.04 -1.24 -0.71 135.00 131.20 2apx n PRO 70 Ca 0.22 0.28 -0.10 0.00 -0.04 0.00 0.00 63.50 63.86 2apx n PRO 70 Cb 0.36 -1.83 -0.06 0.00 -0.04 0.00 0.00 33.50 31.93 2apx n PRO 70 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2apx s SER 71 N -4.47 -0.05 0.44 3.54 1.04 -1.26 -4.84 113.70 108.10 2apx s SER 71 Ca 0.09 -0.59 0.16 0.00 0.48 0.00 0.00 55.95 56.09 2apx s SER 71 Cb 0.11 0.43 1.09 0.00 0.10 0.00 0.00 66.02 67.76 2apx s SER 71 CO 0.54 -0.85 1.96 -0.74 0.98 0.00 0.00 173.24 175.13 2apx h HIS 72 N 2.51 0.40 0.00 5.02 2.76 -1.96 -2.93 115.15 120.95 2apx h HIS 72 Ca -0.33 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 2apx h HIS 72 Cb 1.23 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.06 2apx h HIS 72 CO 0.38 0.17 -0.78 0.93 -1.30 0.00 0.00 177.93 177.33 2apx h GLU 73 N 0.36 0.00 -5.49 5.26 3.07 -1.93 -3.47 114.58 112.38 2apx h GLU 73 Ca 0.31 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.62 2apx h GLU 73 Cb 0.73 0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 28.34 2apx h GLU 73 CO -0.08 0.00 -0.84 -1.14 -1.40 0.00 0.00 179.01 175.55 2apx s GLN 74 N -3.23 1.59 -0.09 2.33 2.00 -1.11 -1.35 119.66 119.80 2apx s GLN 74 Ca 0.04 -0.62 -0.02 0.00 -2.00 0.00 0.00 55.36 52.76 2apx s GLN 74 Cb 0.12 -1.46 0.03 0.00 0.80 0.00 0.00 33.01 32.51 2apx s GLN 74 CO 0.75 0.31 0.02 0.12 -0.50 0.00 0.00 175.29 175.99 2apx s PHE 75 N -0.19 0.65 -0.03 1.67 5.36 -0.28 -3.73 117.98 121.43 2apx s PHE 75 Ca 0.02 -0.24 0.00 0.00 -0.96 0.00 0.00 56.93 55.75 2apx s PHE 75 Cb -0.09 -0.80 -0.04 0.00 -0.34 0.00 0.00 43.02 41.75 2apx s PHE 75 CO 0.01 -0.37 0.01 -1.12 -1.46 0.00 0.00 175.22 172.29 2apx s SER 76 N 1.98 5.21 -0.15 6.13 0.01 0.19 -1.28 113.70 125.79 2apx s SER 76 Ca 0.04 0.05 -0.04 0.00 1.31 0.00 0.00 55.95 57.32 2apx s SER 76 Cb -0.13 -1.41 -0.03 0.00 0.21 0.00 0.00 66.02 64.67 2apx s SER 76 CO -0.06 0.31 -0.04 -0.22 0.41 0.00 0.00 173.24 173.64 2apx s LEU 77 N -1.37 3.24 -0.15 2.44 2.96 0.32 -1.08 118.68 125.03 2apx s LEU 77 Ca 0.18 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 2apx s LEU 77 Cb -0.11 -1.78 0.02 0.00 0.50 0.00 0.00 46.19 44.81 2apx s LEU 77 CO 0.08 0.17 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.46 2apx s ILE 78 N 0.35 1.90 -0.53 6.68 1.01 -0.10 -0.26 121.20 130.25 2apx s ILE 78 Ca -0.04 -0.86 -0.17 0.00 0.00 0.00 0.00 60.65 59.58 2apx s ILE 78 Cb -0.14 -1.72 0.09 0.00 0.01 0.00 0.00 42.46 40.70 2apx s ILE 78 CO 0.03 0.52 0.57 -0.76 0.00 0.00 0.00 174.94 175.29 2apx s LEU 79 N 1.16 5.52 0.24 2.97 1.02 0.10 -0.53 118.68 129.16 2apx s LEU 79 Ca 0.00 -1.36 -0.07 0.00 0.02 0.00 0.00 54.13 52.72 2apx s LEU 79 Cb -0.14 -2.29 0.24 0.00 0.02 0.00 0.00 46.19 44.03 2apx s LEU 79 CO -0.08 -0.89 1.90 1.62 0.02 0.00 0.00 176.35 178.92 2apx h VAL 80 N 5.86 1.21 -2.38 -1.59 3.04 -1.83 0.35 116.25 120.91 2apx h VAL 80 Ca -0.29 -0.42 -0.46 0.00 -1.01 0.00 0.00 66.70 64.53 2apx h VAL 80 Cb 1.10 -0.11 -0.36 0.00 -2.01 0.00 0.00 31.29 29.91 2apx h VAL 80 CO 1.00 0.22 -0.74 -0.55 -1.01 0.00 0.00 177.57 176.49 2apx s SER 81 N -6.00 2.37 0.19 3.17 0.15 -1.26 -3.69 113.70 108.62 2apx s SER 81 Ca -0.13 -1.48 -0.32 0.00 0.70 0.00 0.00 55.95 54.72 2apx s SER 81 Cb 0.17 0.06 -0.15 0.00 -1.71 0.00 0.00 66.02 64.39 2apx s SER 81 CO 0.80 -0.35 1.16 0.00 1.20 0.00 0.00 173.24 176.05 2apx n ALA 82 N 4.69 -0.63 -2.57 5.45 0.00 0.29 -4.58 120.51 123.16 2apx n ALA 82 Ca 0.04 0.45 -0.22 0.00 0.00 0.00 0.00 53.44 53.71 2apx n ALA 82 Cb 0.42 -2.04 -0.12 0.00 0.00 0.00 0.00 19.45 17.71 2apx n ALA 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2apx s THR 83 N -0.27 1.57 0.42 0.00 -4.23 -1.26 -0.61 115.64 111.26 2apx s THR 83 Ca 0.71 -1.52 0.24 0.00 -1.18 0.00 0.00 61.69 59.94 2apx s THR 83 Cb -0.83 -1.47 0.44 0.00 1.34 0.00 0.00 72.50 71.99 2apx s THR 83 CO 0.53 -0.13 1.71 -0.65 -0.54 0.00 0.00 174.62 175.54 2apx h PRO 84 N 4.05 0.24 0.00 3.99 0.11 -1.91 0.14 132.00 138.62 2apx h PRO 84 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2apx h PRO 84 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2apx h PRO 84 CO 0.41 0.16 0.00 -1.13 -0.21 0.00 0.00 178.00 177.23 2apx n SER 85 N -4.63 0.56 -0.13 -2.05 3.41 -1.26 -1.51 113.62 108.01 2apx n SER 85 Ca 0.30 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.70 2apx n SER 85 Cb 1.12 -0.77 0.46 0.00 -0.26 0.00 0.00 64.21 64.76 2apx n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2apx n GLN 86 N -2.14 0.57 -1.68 4.33 6.02 0.49 -4.86 117.38 120.11 2apx n GLN 86 Ca 0.02 -0.27 -0.45 0.00 -0.01 0.00 0.00 57.00 56.29 2apx n GLN 86 Cb 0.19 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.92 2apx n GLN 86 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2apx n SER 87 N -0.98 3.58 -1.75 1.08 7.64 -0.57 -4.89 113.62 117.73 2apx n SER 87 Ca 0.11 1.01 0.00 0.00 1.01 0.00 0.00 58.87 61.01 2apx n SER 87 Cb 0.32 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 2apx n SER 87 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2apx n SER 88 N 5.23 -0.38 -4.29 6.43 2.88 -0.48 -5.01 113.62 118.02 2apx n SER 88 Ca 0.19 -1.12 -0.34 0.00 -1.33 0.00 0.00 58.87 56.28 2apx n SER 88 Cb 0.32 0.59 -0.15 0.00 -0.75 0.00 0.00 64.21 64.23 2apx n SER 88 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2apx s VAL 89 N -2.20 2.87 -0.12 2.46 1.01 -1.20 -0.58 120.40 122.65 2apx s VAL 89 Ca 0.08 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 2apx s VAL 89 Cb -0.00 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 2apx s VAL 89 CO 0.00 0.50 -0.03 -0.31 0.00 0.00 0.00 175.10 175.26 2apx s TYR 90 N 0.91 3.05 -0.07 5.22 1.51 -0.11 -0.51 117.35 127.36 2apx s TYR 90 Ca -0.03 -0.08 0.04 0.00 -1.01 0.00 0.00 57.07 55.99 2apx s TYR 90 Cb -0.15 -1.86 0.00 0.00 -0.11 0.00 0.00 41.96 39.84 2apx s TYR 90 CO -0.01 0.19 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.37 2apx s PHE 91 N -0.24 1.99 0.33 2.71 0.08 -0.27 -0.57 117.98 122.01 2apx s PHE 91 Ca 0.04 -0.72 0.07 0.00 0.12 0.00 0.00 56.93 56.45 2apx s PHE 91 Cb -0.13 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.94 2apx s PHE 91 CO 0.02 -0.29 0.31 0.00 -0.10 0.00 0.00 175.22 175.16 2apx s ALA 93 N -2.27 -0.67 0.33 0.00 0.00 -0.60 -0.10 121.76 118.45 2apx s ALA 93 Ca 0.41 0.22 0.08 0.00 0.00 0.00 0.00 51.96 52.66 2apx s ALA 93 Cb -0.06 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2apx s ALA 93 CO 0.27 -0.25 0.21 -1.54 0.00 0.00 0.00 175.76 174.45 2apx s SER 94 N -1.31 5.02 0.00 0.00 1.04 -0.04 -0.69 113.70 117.72 2apx s SER 94 Ca -0.14 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2apx s SER 94 Cb -0.06 -0.90 0.00 0.00 0.10 0.00 0.00 66.02 65.16 2apx s SER 94 CO 0.04 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2apx n GLY 95 N -1.24 -0.16 3.55 7.32 0.00 -0.18 -0.21 105.19 114.27 2apx n GLY 95 Ca -0.03 -0.95 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 2apx n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2apx s VAL 96 N -2.00 0.00 0.00 1.61 0.11 -1.19 -0.74 120.40 118.20 2apx s VAL 96 Ca 0.00 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 2apx s VAL 96 Cb 0.00 -0.96 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 2apx s VAL 96 CO 0.00 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.37 2apx n GLY 97 N 1.97 2.80 0.44 6.54 0.00 -1.26 -1.19 105.19 114.50 2apx n GLY 97 Ca -0.16 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.74 2apx n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2apx n GLY 98 N 0.00 0.01 3.75 -0.02 0.00 -1.26 -4.93 105.19 102.74 2apx n GLY 98 Ca 0.00 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 2apx n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2apx s THR 99 N -1.87 3.49 -0.06 2.61 2.01 -0.33 -5.04 115.64 116.46 2apx s THR 99 Ca 0.34 1.42 0.00 0.00 0.31 0.00 0.00 61.69 63.77 2apx s THR 99 Cb 0.18 -3.91 0.02 0.00 0.01 0.00 0.00 72.50 68.80 2apx s THR 99 CO 0.28 0.31 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.71 2apx s LEU 100 N -1.11 1.18 -0.31 4.42 1.43 -1.26 -3.14 118.68 119.89 2apx s LEU 100 Ca 0.47 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 2apx s LEU 100 Cb -0.32 -0.50 0.09 0.00 0.03 0.00 0.00 46.19 45.48 2apx s LEU 100 CO 0.40 -0.08 0.01 -0.47 0.23 0.00 0.00 176.35 176.44 2apx s TYR 101 N 1.19 3.25 0.37 0.29 6.14 0.71 -4.98 117.35 124.31 2apx s TYR 101 Ca -0.07 -2.55 -0.15 0.00 0.64 0.00 0.00 57.07 54.94 2apx s TYR 101 Cb -0.14 -2.39 -0.09 0.00 0.42 0.00 0.00 41.96 39.76 2apx s TYR 101 CO -0.01 -0.90 0.79 -0.06 0.64 0.00 0.00 175.55 176.01 2apx s PHE 108 N 1.09 3.39 1.05 4.97 0.40 -1.26 -0.86 117.98 126.76 2apx s PHE 108 Ca 0.04 1.25 -0.15 0.00 -0.60 0.00 0.00 56.93 57.48 2apx s PHE 108 Cb -0.19 -2.58 0.21 0.00 0.51 0.00 0.00 43.02 40.98 2apx s PHE 108 CO -0.09 -0.02 1.12 0.20 0.70 0.00 0.00 175.22 177.13 2apx s GLY 109 N -2.53 1.58 0.00 4.36 0.00 0.85 -4.75 107.32 106.83 2apx s GLY 109 Ca 0.55 -0.61 0.28 0.00 0.00 0.00 0.00 44.72 44.94 2apx s GLY 109 CO 0.21 0.08 1.84 0.00 0.00 0.00 0.00 173.10 175.24 2apx n ALA 110 N -4.28 2.62 0.00 3.20 0.00 -1.26 -4.75 120.51 116.03 2apx n ALA 110 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2apx n ALA 110 Cb 0.58 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2apx n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2apx n GLY 111 N 1.45 1.77 2.80 0.00 0.00 -1.26 -5.03 105.19 104.92 2apx n GLY 111 Ca 0.08 -1.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.04 2apx n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2apx s THR 112 N -2.71 0.66 -0.03 2.61 2.01 0.27 -4.76 115.64 113.69 2apx s THR 112 Ca 0.00 -0.34 -0.30 0.00 0.31 0.00 0.00 61.69 61.36 2apx s THR 112 Cb 0.00 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.54 2apx s THR 112 CO 0.00 0.06 1.09 -0.13 -0.69 0.00 0.00 174.62 174.95 2apx s ARG 113 N 1.83 4.44 -0.14 4.92 0.52 -0.90 -0.93 118.95 128.69 2apx s ARG 113 Ca 0.02 1.55 0.01 0.00 -0.52 0.00 0.00 55.73 56.78 2apx s ARG 113 Cb -0.15 -3.49 0.02 0.00 0.52 0.00 0.00 34.95 31.85 2apx s ARG 113 CO -0.07 -0.27 -0.14 -1.17 0.02 0.00 0.00 175.30 173.67 2apx s LEU 114 N 1.62 1.69 -0.23 2.53 2.96 0.26 -1.05 118.68 126.46 2apx s LEU 114 Ca 0.53 -0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 53.94 2apx s LEU 114 Cb -0.23 -1.16 0.01 0.00 0.50 0.00 0.00 46.19 45.31 2apx s LEU 114 CO 0.24 -0.04 -0.05 -0.55 -1.32 0.00 0.00 176.35 174.63 2apx s SER 115 N 1.36 4.27 -0.25 3.68 0.15 -0.46 -1.38 113.70 121.08 2apx s SER 115 Ca 0.02 -0.62 -0.10 0.00 0.70 0.00 0.00 55.95 55.96 2apx s SER 115 Cb -0.13 -1.70 -0.04 0.00 -1.71 0.00 0.00 66.02 62.43 2apx s SER 115 CO -0.08 -0.07 0.14 -0.69 1.20 0.00 0.00 173.24 173.74 2apx s VAL 116 N 1.41 5.04 -2.73 4.45 1.01 -1.26 -0.09 120.40 128.23 2apx s VAL 116 Ca 0.03 0.07 0.22 0.00 0.00 0.00 0.00 61.98 62.31 2apx s VAL 116 Cb -0.15 -3.37 0.17 0.00 0.00 0.00 0.00 36.38 33.03 2apx s VAL 116 CO -0.04 0.32 1.19 0.18 0.00 0.00 0.00 175.10 176.75