#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2apw n ALA 3 N 0.00 2.24 -3.55 0.00 0.00 -1.26 -4.66 120.51 113.28 2apw n ALA 3 Ca 0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 53.44 53.11 2apw n ALA 3 Cb 0.00 -1.44 -0.17 0.00 0.00 0.00 0.00 19.45 17.84 2apw n ALA 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2apw s VAL 4 N -3.01 1.03 -0.10 0.00 1.01 -1.26 -0.48 120.40 117.58 2apw s VAL 4 Ca 0.13 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.74 2apw s VAL 4 Cb 0.17 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.59 2apw s VAL 4 CO 0.50 0.34 -0.18 -0.89 0.00 0.00 0.00 175.10 174.87 2apw s THR 5 N 0.86 1.64 -0.18 3.92 2.01 0.55 -4.51 115.64 119.93 2apw s THR 5 Ca -0.11 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.06 2apw s THR 5 Cb -0.15 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 2apw s THR 5 CO 0.01 0.47 0.08 -1.10 -0.69 0.00 0.00 174.62 173.39 2apw s GLN 6 N 0.72 3.96 -0.05 4.92 -0.21 -1.26 -0.90 119.66 126.83 2apw s GLN 6 Ca -0.12 -0.31 0.01 0.00 0.02 0.00 0.00 55.36 54.96 2apw s GLN 6 Cb -0.16 -3.24 0.02 0.00 1.00 0.00 0.00 33.01 30.63 2apw s GLN 6 CO 0.02 0.32 -0.06 -1.12 -2.12 0.00 0.00 175.29 172.34 2apw s SER 7 N 0.24 1.16 0.70 5.90 0.01 -0.35 -3.88 113.70 117.48 2apw s SER 7 Ca 0.05 -0.16 -0.11 0.00 1.31 0.00 0.00 55.95 57.03 2apw s SER 7 Cb -0.12 -0.53 0.01 0.00 0.21 0.00 0.00 66.02 65.59 2apw s SER 7 CO -0.00 -0.05 1.07 -2.16 0.41 0.00 0.00 173.24 172.52 2apw s PRO 8 N 0.93 2.95 0.24 12.44 0.04 -1.26 -0.39 135.00 149.95 2apw s PRO 8 Ca -0.11 0.65 0.07 0.00 0.04 0.00 0.00 61.00 61.65 2apw s PRO 8 Cb -0.14 -2.02 0.25 0.00 0.04 0.00 0.00 34.50 32.63 2apw s PRO 8 CO 0.00 -1.01 1.55 0.00 0.04 0.00 0.00 177.00 177.58 2apw h ARG 9 N -0.64 0.10 -4.72 4.56 2.47 -1.86 -3.44 114.38 110.84 2apw h ARG 9 Ca -0.45 -0.07 -0.33 0.00 -1.26 0.00 0.00 59.98 57.87 2apw h ARG 9 Cb 1.23 0.01 -0.23 0.00 -1.65 0.00 0.00 29.97 29.33 2apw h ARG 9 CO 0.61 0.72 -0.75 -0.80 0.56 0.00 0.00 179.97 180.32 2apw s ASN 10 N -6.86 1.03 -0.02 7.04 0.01 -1.26 -2.37 114.94 112.50 2apw s ASN 10 Ca -0.02 -0.45 -0.00 0.00 -0.71 0.00 0.00 52.86 51.67 2apw s ASN 10 Cb 0.12 -0.02 0.03 0.00 0.41 0.00 0.00 41.25 41.79 2apw s ASN 10 CO 0.78 -0.10 0.04 -0.75 -1.51 0.00 0.00 177.10 175.56 2apw s LYS 11 N -1.24 -0.03 -0.27 -0.60 2.47 -0.32 -4.96 119.74 114.79 2apw s LYS 11 Ca -0.05 0.19 -0.04 0.00 -1.56 0.00 0.00 55.97 54.51 2apw s LYS 11 Cb -0.08 -0.23 0.02 0.00 -1.46 0.00 0.00 37.83 36.08 2apw s LYS 11 CO 0.01 -0.16 0.02 0.08 0.16 0.00 0.00 175.35 175.45 2apw s VAL 12 N 1.01 3.48 0.24 4.02 1.01 -1.26 -1.37 120.40 127.53 2apw s VAL 12 Ca -0.08 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.17 2apw s VAL 12 Cb -0.12 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2apw s VAL 12 CO -0.03 0.14 -0.07 0.00 0.00 0.00 0.00 175.10 175.14 2apw s ALA 13 N 1.42 3.00 -0.13 5.51 0.00 0.57 -5.00 121.76 127.14 2apw s ALA 13 Ca 0.02 -1.63 -0.08 0.00 0.00 0.00 0.00 51.96 50.27 2apw s ALA 13 Cb -0.17 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 2apw s ALA 13 CO -0.01 0.34 0.14 0.08 0.00 0.00 0.00 175.76 176.32 2apw s VAL 14 N -2.13 5.49 0.05 0.00 1.01 -1.26 -0.01 120.40 123.54 2apw s VAL 14 Ca 0.29 0.22 -0.38 0.00 0.00 0.00 0.00 61.98 62.11 2apw s VAL 14 Cb -0.07 -3.42 -0.19 0.00 0.00 0.00 0.00 36.38 32.71 2apw s VAL 14 CO 0.17 0.60 1.06 0.41 0.00 0.00 0.00 175.10 177.33 2apw n THR 15 N 2.17 0.29 0.00 3.92 -1.04 -1.26 -1.38 114.28 116.98 2apw n THR 15 Ca -0.19 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 2apw n THR 15 Cb 0.55 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 2apw n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2apw n GLY 16 N 1.75 3.19 3.77 3.41 0.00 0.13 -4.91 105.19 112.53 2apw n GLY 16 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2apw n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2apw s GLU 17 N -0.40 4.32 0.07 1.61 2.02 -0.48 -4.32 118.70 121.52 2apw s GLU 17 Ca 0.00 1.97 -0.31 0.00 0.02 0.00 0.00 54.97 56.65 2apw s GLU 17 Cb 0.00 -2.96 -0.06 0.00 0.10 0.00 0.00 34.13 31.21 2apw s GLU 17 CO 0.00 -0.13 1.20 0.21 0.02 0.00 0.00 175.26 176.56 2apw s LYS 18 N -1.88 4.44 -0.10 1.61 2.20 -1.25 -1.02 119.74 123.73 2apw s LYS 18 Ca 0.51 1.78 0.03 0.00 -0.36 0.00 0.00 55.97 57.93 2apw s LYS 18 Cb -0.34 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 2apw s LYS 18 CO 0.44 -0.24 -0.22 0.08 -0.36 0.00 0.00 175.35 175.05 2apw s VAL 19 N 0.97 1.92 -0.18 4.02 1.01 0.41 -4.99 120.40 123.56 2apw s VAL 19 Ca 0.58 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 2apw s VAL 19 Cb -0.30 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2apw s VAL 19 CO 0.30 0.53 -0.15 -0.89 0.00 0.00 0.00 175.10 174.89 2apw s THR 20 N 0.47 2.59 -0.17 3.92 2.01 -1.26 0.39 115.64 123.59 2apw s THR 20 Ca -0.16 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.01 2apw s THR 20 Cb -0.17 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 2apw s THR 20 CO 0.06 0.50 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.74 2apw s LEU 21 N 1.11 3.40 0.02 4.42 1.43 0.17 -4.68 118.68 124.55 2apw s LEU 21 Ca 0.00 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 2apw s LEU 21 Cb -0.14 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 2apw s LEU 21 CO -0.05 0.15 -0.10 -0.94 0.23 0.00 0.00 176.35 175.64 2apw s SER 22 N 0.48 4.35 -0.13 2.29 1.04 0.48 -0.15 113.70 122.06 2apw s SER 22 Ca -0.01 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.18 2apw s SER 22 Cb -0.14 -0.92 0.02 0.00 0.10 0.00 0.00 66.02 65.08 2apw s SER 22 CO 0.02 0.27 -0.13 0.00 0.98 0.00 0.00 173.24 174.37 2apw s GLN 24 N 1.38 2.65 0.12 0.00 -1.52 -0.08 -1.07 119.66 121.14 2apw s GLN 24 Ca 0.02 -0.88 0.09 0.00 -1.95 0.00 0.00 55.36 52.64 2apw s GLN 24 Cb -0.13 -2.22 -0.04 0.00 -0.22 0.00 0.00 33.01 30.40 2apw s GLN 24 CO -0.08 0.36 -0.22 1.14 -0.25 0.00 0.00 175.29 176.25 2apw s GLN 25 N -0.11 1.21 -0.08 2.91 -2.07 -0.09 -0.33 119.66 121.09 2apw s GLN 25 Ca -0.05 -1.24 0.12 0.00 -1.82 0.00 0.00 55.36 52.38 2apw s GLN 25 Cb -0.14 -1.49 0.33 0.00 -1.09 0.00 0.00 33.01 30.62 2apw s GLN 25 CO 0.04 0.34 1.26 0.25 -1.32 0.00 0.00 175.29 175.86 2apw n THR 26 N 0.94 1.58 0.67 3.63 -2.24 0.36 -4.65 114.28 114.57 2apw n THR 26 Ca -0.18 -1.49 0.13 0.00 -2.27 0.00 0.00 64.05 60.24 2apw n THR 26 Cb 0.54 0.13 0.42 0.00 -2.10 0.00 0.00 70.33 69.32 2apw n THR 26 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2apw n ASN 27 N -0.29 0.73 -1.76 3.42 5.03 -1.26 -4.91 115.26 116.23 2apw n ASN 27 Ca 0.14 0.56 -0.18 0.00 0.87 0.00 0.00 54.58 55.96 2apw n ASN 27 Cb 0.59 -0.75 -0.06 0.00 -1.02 0.00 0.00 39.78 38.55 2apw n ASN 27 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2apw n ASN 28 N -2.18 -4.99 -4.74 6.41 4.05 -1.26 -4.94 115.26 107.61 2apw n ASN 28 Ca 0.06 0.35 -0.41 0.00 0.45 0.00 0.00 54.58 55.03 2apw n ASN 28 Cb 0.42 -4.39 -0.03 0.00 1.23 0.00 0.00 39.78 37.02 2apw n ASN 28 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 2apw s HIS 29 N -2.66 3.22 0.25 1.20 3.76 -1.26 -4.95 115.29 114.86 2apw s HIS 29 Ca 0.00 1.26 -0.05 0.00 -0.15 0.00 0.00 55.06 56.12 2apw s HIS 29 Cb 0.00 -3.62 0.33 0.00 1.11 0.00 0.00 32.58 30.40 2apw s HIS 29 CO 0.00 -1.87 1.89 -0.91 -0.85 0.00 0.00 174.74 173.00 2apw h ASN 30 N 4.95 1.04 -2.87 1.40 2.35 -1.91 -3.45 115.58 117.09 2apw h ASN 30 Ca -0.46 -0.01 -0.65 0.00 -0.55 0.00 0.00 56.30 54.64 2apw h ASN 30 Cb 1.22 -0.23 -0.07 0.00 0.05 0.00 0.00 38.32 39.29 2apw h ASN 30 CO 0.75 0.70 -0.52 0.20 -1.65 0.00 0.00 177.43 176.91 2apw s ASN 31 N -5.95 6.17 0.10 5.81 0.02 -0.11 -3.15 114.94 117.82 2apw s ASN 31 Ca -0.13 0.30 0.04 0.00 -1.02 0.00 0.00 52.86 52.06 2apw s ASN 31 Cb 0.19 -1.90 -0.04 0.00 0.02 0.00 0.00 41.25 39.52 2apw s ASN 31 CO 0.81 0.29 -0.11 -0.04 0.02 0.00 0.00 177.10 178.06 2apw s MET 32 N -1.75 0.89 -0.02 -0.60 -1.94 -0.24 -1.43 119.30 114.20 2apw s MET 32 Ca 0.24 -1.16 -0.03 0.00 -1.71 0.00 0.00 55.69 53.04 2apw s MET 32 Cb -0.12 -0.65 0.01 0.00 2.01 0.00 0.00 34.83 36.07 2apw s MET 32 CO 0.15 0.11 0.07 0.71 -0.01 0.00 0.00 175.02 176.06 2apw s TYR 33 N -2.26 -0.06 -0.12 -0.03 1.51 0.19 -0.45 117.35 116.13 2apw s TYR 33 Ca 0.06 0.16 0.03 0.00 -1.01 0.00 0.00 57.07 56.30 2apw s TYR 33 Cb -0.04 0.02 0.01 0.00 -0.11 0.00 0.00 41.96 41.83 2apw s TYR 33 CO 0.01 -0.06 -0.22 -1.58 -1.11 0.00 0.00 175.55 172.59 2apw s TRP 34 N -0.08 2.57 0.24 2.71 0.52 -0.42 -1.33 118.94 123.14 2apw s TRP 34 Ca -0.01 -1.19 0.11 0.00 0.02 0.00 0.00 56.10 55.03 2apw s TRP 34 Cb -0.01 -1.74 -0.05 0.00 -1.15 0.00 0.00 33.47 30.52 2apw s TRP 34 CO 0.00 -0.52 -0.21 0.71 0.02 0.00 0.00 176.95 176.95 2apw s TYR 35 N 0.63 2.24 -0.06 -1.98 1.51 0.63 -0.60 117.35 119.72 2apw s TYR 35 Ca -0.12 -0.36 0.06 0.00 -1.01 0.00 0.00 57.07 55.64 2apw s TYR 35 Cb -0.16 -1.03 -0.01 0.00 -0.11 0.00 0.00 41.96 40.65 2apw s TYR 35 CO 0.03 0.61 -0.24 0.50 -1.11 0.00 0.00 175.55 175.33 2apw s ARG 36 N -3.20 2.56 -0.32 -0.62 3.52 -0.67 -1.04 118.95 119.17 2apw s ARG 36 Ca 0.26 -0.88 0.03 0.00 -0.13 0.00 0.00 55.73 55.01 2apw s ARG 36 Cb -0.06 -2.13 0.10 0.00 -1.56 0.00 0.00 34.95 31.30 2apw s ARG 36 CO 0.12 0.34 0.05 -1.14 -0.81 0.00 0.00 175.30 173.86 2apw s GLN 37 N -0.07 1.33 0.62 5.12 0.74 0.64 -0.52 119.66 127.52 2apw s GLN 37 Ca -0.06 -1.62 -0.14 0.00 0.05 0.00 0.00 55.36 53.59 2apw s GLN 37 Cb -0.14 -2.87 -0.03 0.00 1.10 0.00 0.00 33.01 31.07 2apw s GLN 37 CO 0.04 -0.92 1.05 -0.51 -0.55 0.00 0.00 175.29 174.40 2apw s ASP 38 N 1.10 5.78 -0.00 6.67 -0.00 -1.26 -3.11 116.67 125.85 2apw s ASP 38 Ca 0.09 1.69 -0.34 0.00 -0.00 0.00 0.00 52.55 54.00 2apw s ASP 38 Cb -0.19 -2.51 -0.12 0.00 -0.00 0.00 0.00 42.92 40.10 2apw s ASP 38 CO -0.12 -1.17 1.80 0.41 -0.00 0.00 0.00 175.17 176.09 2apw n THR 39 N -2.40 0.42 -0.74 -1.27 -1.04 -1.26 -1.05 114.28 106.95 2apw n THR 39 Ca 0.08 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2apw n THR 39 Cb 0.53 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 2apw n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2apw n GLY 40 N 4.13 0.78 3.70 3.41 0.00 -1.26 -5.03 105.19 110.92 2apw n GLY 40 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 2apw n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2apw s HIS 41 N -2.94 2.17 0.59 1.61 4.02 -0.21 -5.15 115.29 115.37 2apw s HIS 41 Ca 0.00 -0.82 -0.02 0.00 1.02 0.00 0.00 55.06 55.24 2apw s HIS 41 Cb 0.00 -1.69 0.12 0.00 -1.02 0.00 0.00 32.58 29.99 2apw s HIS 41 CO 0.00 0.33 0.80 0.41 1.02 0.00 0.00 174.74 177.31 2apw n GLY 42 N -1.13 0.33 3.66 -2.22 0.00 -1.26 -4.65 105.19 99.92 2apw n GLY 42 Ca -0.12 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 2apw n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2apw s LEU 43 N 0.00 4.15 -0.15 0.99 1.43 -1.26 -4.38 118.68 119.46 2apw s LEU 43 Ca 0.52 1.61 -0.04 0.00 -1.03 0.00 0.00 54.13 55.18 2apw s LEU 43 Cb -0.03 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 2apw s LEU 43 CO 0.35 -0.76 -0.00 -0.13 0.23 0.00 0.00 176.35 176.04 2apw s ARG 44 N 3.48 3.64 -0.17 1.70 0.52 0.32 -4.91 118.95 123.52 2apw s ARG 44 Ca 0.53 -0.44 -0.29 0.00 -0.52 0.00 0.00 55.73 55.00 2apw s ARG 44 Cb -0.20 -2.98 -0.01 0.00 0.52 0.00 0.00 34.95 32.28 2apw s ARG 44 CO 0.13 0.34 1.14 -1.17 0.02 0.00 0.00 175.30 175.76 2apw s LEU 45 N 0.12 4.17 -0.16 2.53 2.96 -1.26 -1.67 118.68 125.37 2apw s LEU 45 Ca 0.01 1.56 -0.12 0.00 -0.22 0.00 0.00 54.13 55.36 2apw s LEU 45 Cb -0.13 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 2apw s LEU 45 CO 0.02 -0.67 -0.18 -0.38 -1.32 0.00 0.00 176.35 173.82 2apw n ILE 46 N 5.18 1.45 -3.86 6.68 5.41 0.24 -0.26 119.36 134.19 2apw n ILE 46 Ca 0.12 0.16 -0.09 0.00 1.00 0.00 0.00 62.75 63.94 2apw n ILE 46 Cb 0.46 -2.33 -0.08 0.00 -0.71 0.00 0.00 39.64 36.97 2apw n ILE 46 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2apw s HIS 47 N -2.39 0.12 0.33 1.39 3.76 -1.20 -0.47 115.29 116.82 2apw s HIS 47 Ca -0.20 -0.46 0.04 0.00 -0.15 0.00 0.00 55.06 54.29 2apw s HIS 47 Cb 0.03 -0.06 -0.01 0.00 1.11 0.00 0.00 32.58 33.65 2apw s HIS 47 CO 0.30 -0.48 0.35 2.48 -0.85 0.00 0.00 174.74 176.55 2apw n TYR 48 N 0.30 -1.03 -3.71 1.40 4.11 0.08 -1.30 117.16 117.01 2apw n TYR 48 Ca -0.17 -2.53 -0.11 0.00 -0.00 0.00 0.00 57.90 55.09 2apw n TYR 48 Cb 0.61 0.38 -0.11 0.00 -0.00 0.00 0.00 39.34 40.22 2apw n TYR 48 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2apw s SER 49 N -3.18 -0.47 0.00 9.48 0.15 0.40 -0.32 113.70 119.76 2apw s SER 49 Ca 0.34 0.85 0.26 0.00 0.70 0.00 0.00 55.95 58.10 2apw s SER 49 Cb 0.01 0.77 0.60 0.00 -1.71 0.00 0.00 66.02 65.69 2apw s SER 49 CO 0.24 -0.17 1.48 -1.22 1.20 0.00 0.00 173.24 174.77 2apw n TYR 50 N 3.76 0.00 0.00 3.44 4.01 -1.26 -1.08 117.16 126.03 2apw n TYR 50 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 2apw n TYR 50 Cb 0.56 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 2apw n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2apw n GLY 51 N 1.30 -0.18 3.62 2.72 0.00 -1.19 -4.56 105.19 106.91 2apw n GLY 51 Ca 0.14 -1.23 -0.48 0.00 0.00 0.00 0.00 46.02 44.45 2apw n GLY 51 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2apw n VAL 52 N -0.89 0.32 0.00 1.61 0.31 -1.26 -1.62 118.33 116.80 2apw n VAL 52 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2apw n VAL 52 Cb 0.00 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 2apw n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2apw n GLY 53 N 2.63 2.20 3.64 2.92 0.00 0.02 -5.02 105.19 111.59 2apw n GLY 53 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2apw n GLY 53 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2apw s ASN 54 N -3.31 5.46 0.04 1.61 3.84 -0.64 -4.92 114.94 117.02 2apw s ASN 54 Ca 0.00 0.09 0.05 0.00 0.21 0.00 0.00 52.86 53.21 2apw s ASN 54 Cb 0.00 -1.84 -0.02 0.00 -0.55 0.00 0.00 41.25 38.84 2apw s ASN 54 CO 0.00 0.23 -0.14 0.42 -2.79 0.00 0.00 177.10 174.82 2apw s THR 55 N 0.01 1.14 -0.02 -5.21 -4.23 -1.26 -4.32 115.64 101.76 2apw s THR 55 Ca 0.05 -1.02 0.03 0.00 -1.18 0.00 0.00 61.69 59.57 2apw s THR 55 Cb -0.12 -1.03 -0.00 0.00 1.34 0.00 0.00 72.50 72.68 2apw s THR 55 CO 0.01 0.01 -0.11 -1.61 -0.54 0.00 0.00 174.62 172.38 2apw s GLU 56 N -1.15 1.05 0.19 3.99 0.41 0.57 -4.98 118.70 118.78 2apw s GLU 56 Ca 0.02 -0.40 -0.30 0.00 -0.41 0.00 0.00 54.97 53.87 2apw s GLU 56 Cb -0.08 -0.99 -0.09 0.00 -1.78 0.00 0.00 34.13 31.19 2apw s GLU 56 CO 0.01 0.21 1.39 0.15 -0.49 0.00 0.00 175.26 176.53 2apw s LYS 57 N -0.08 4.32 0.00 1.61 1.02 -1.26 -0.74 119.74 124.61 2apw s LYS 57 Ca 0.01 2.17 0.00 0.00 0.02 0.00 0.00 55.97 58.17 2apw s LYS 57 Cb -0.07 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 2apw s LYS 57 CO 0.00 -0.38 0.00 0.41 -0.92 0.00 0.00 175.35 174.46 2apw n GLY 58 N 2.69 1.13 0.09 -3.33 0.00 0.37 -4.81 105.19 101.33 2apw n GLY 58 Ca 0.08 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 2apw n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2apw n ASP 59 N 0.00 1.07 -3.00 1.61 8.00 0.64 -4.47 116.55 120.40 2apw n ASP 59 Ca 0.00 0.39 -0.25 0.00 0.71 0.00 0.00 54.79 55.63 2apw n ASP 59 Cb 0.00 -0.19 -0.04 0.00 -0.02 0.00 0.00 41.12 40.87 2apw n ASP 59 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2apw n ILE 60 N -3.11 2.40 0.21 0.53 -5.35 -0.58 -4.92 119.36 108.54 2apw n ILE 60 Ca -0.19 -5.37 0.09 0.00 -0.27 0.00 0.00 62.75 57.01 2apw n ILE 60 Cb 1.05 -1.19 0.38 0.00 -1.74 0.00 0.00 39.64 38.14 2apw n ILE 60 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2apw h PRO 61 N 3.01 0.00 -6.70 6.28 0.13 -1.78 -3.43 132.00 129.51 2apw h PRO 61 Ca 0.13 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.73 2apw h PRO 61 Cb 0.60 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.80 2apw h PRO 61 CO 0.75 0.24 0.96 -3.47 -0.23 0.00 0.00 178.00 176.25 2apw n ASP 62 N -3.33 3.92 0.00 1.44 -0.08 -1.26 -1.07 116.55 116.18 2apw n ASP 62 Ca 0.01 1.09 0.00 0.00 -1.51 0.00 0.00 54.79 54.38 2apw n ASP 62 Cb 0.48 -1.58 0.00 0.00 2.34 0.00 0.00 41.12 42.36 2apw n ASP 62 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2apw n GLY 63 N 3.26 1.79 3.37 0.27 0.00 -1.26 -5.06 105.19 107.57 2apw n GLY 63 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2apw n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2apw s TYR 65 N -2.38 2.27 0.32 1.61 2.02 -0.23 -4.17 117.35 116.79 2apw s TYR 65 Ca 0.00 -0.39 0.10 0.00 -0.37 0.00 0.00 57.07 56.41 2apw s TYR 65 Cb 0.00 -1.26 -0.06 0.00 -0.40 0.00 0.00 41.96 40.24 2apw s TYR 65 CO 0.00 0.28 -0.07 -1.21 -1.57 0.00 0.00 175.55 172.98 2apw s GLU 66 N -1.85 1.93 0.15 -0.62 2.02 0.19 -4.97 118.70 115.55 2apw s GLU 66 Ca 0.13 -1.78 0.01 0.00 0.02 0.00 0.00 54.97 53.35 2apw s GLU 66 Cb -0.10 -1.85 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 2apw s GLU 66 CO 0.05 0.20 -0.01 0.00 0.02 0.00 0.00 175.26 175.52 2apw s ALA 67 N -2.53 1.20 -0.08 5.21 0.00 -1.26 -0.70 121.76 123.60 2apw s ALA 67 Ca 0.33 -1.51 -0.05 0.00 0.00 0.00 0.00 51.96 50.73 2apw s ALA 67 Cb -0.01 0.48 0.04 0.00 0.00 0.00 0.00 23.12 23.63 2apw s ALA 67 CO 0.18 -0.32 0.20 0.45 0.00 0.00 0.00 175.76 176.27 2apw s SER 68 N -3.13 -0.20 -0.77 0.00 0.15 -0.32 -4.94 113.70 104.50 2apw s SER 68 Ca 0.21 0.42 0.02 0.00 0.70 0.00 0.00 55.95 57.30 2apw s SER 68 Cb 0.06 0.33 0.19 0.00 -1.71 0.00 0.00 66.02 64.88 2apw s SER 68 CO 0.01 -0.14 0.59 -0.60 1.20 0.00 0.00 173.24 174.31 2apw s ARG 69 N 1.01 2.76 0.39 5.44 6.06 -1.26 -0.66 118.95 132.69 2apw s ARG 69 Ca -0.07 -3.28 0.26 0.00 -2.50 0.00 0.00 55.73 50.14 2apw s ARG 69 Cb -0.09 -3.63 0.75 0.00 0.06 0.00 0.00 34.95 32.04 2apw s ARG 69 CO -0.06 -1.27 1.74 -1.00 -2.50 0.00 0.00 175.30 172.22 2apw h PRO 70 N 5.71 0.00 -3.59 5.12 0.13 -1.96 0.10 132.00 137.50 2apw h PRO 70 Ca 0.14 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.21 2apw h PRO 70 Cb 0.79 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.80 2apw h PRO 70 CO 0.77 0.00 -0.15 -1.54 -0.23 0.00 0.00 178.00 176.85 2apw s SER 71 N -5.47 -0.10 0.44 1.44 1.04 -1.26 -4.84 113.70 104.95 2apw s SER 71 Ca 0.06 -0.65 0.12 0.00 0.48 0.00 0.00 55.95 55.96 2apw s SER 71 Cb 0.08 0.49 1.01 0.00 0.10 0.00 0.00 66.02 67.71 2apw s SER 71 CO 0.59 -0.95 2.05 -0.61 0.98 0.00 0.00 173.24 175.30 2apw h GLN 72 N 2.39 0.37 -0.01 4.02 5.75 -1.96 -2.95 115.11 122.73 2apw h GLN 72 Ca -0.31 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 2apw h GLN 72 Cb 1.24 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.71 2apw h GLN 72 CO 0.44 0.25 -0.44 -0.85 -2.65 0.00 0.00 178.83 175.57 2apw n GLU 73 N -4.48 0.72 -4.55 1.69 0.00 -1.26 -4.88 120.64 107.87 2apw n GLU 73 Ca 0.04 -0.50 -0.22 0.00 0.00 0.00 0.00 57.16 56.48 2apw n GLU 73 Cb 0.18 -1.49 -0.15 0.00 0.00 0.00 0.00 31.44 29.98 2apw n GLU 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 2apw s GLN 74 N -2.63 1.18 -0.09 3.44 2.00 -1.12 -0.91 119.66 121.53 2apw s GLN 74 Ca 0.19 -0.42 -0.03 0.00 -2.00 0.00 0.00 55.36 53.09 2apw s GLN 74 Cb 0.18 -1.09 0.04 0.00 0.80 0.00 0.00 33.01 32.95 2apw s GLN 74 CO 0.60 0.19 0.07 0.12 -0.50 0.00 0.00 175.29 175.77 2apw s PHE 75 N 0.01 0.15 0.01 1.67 5.36 -0.23 -3.67 117.98 121.28 2apw s PHE 75 Ca -0.01 0.02 0.01 0.00 -0.96 0.00 0.00 56.93 55.99 2apw s PHE 75 Cb -0.08 -0.58 -0.04 0.00 -0.34 0.00 0.00 43.02 41.98 2apw s PHE 75 CO 0.01 -0.32 0.02 -1.12 -1.46 0.00 0.00 175.22 172.35 2apw s SER 76 N 2.14 5.24 -0.12 6.13 0.01 0.17 -1.30 113.70 125.96 2apw s SER 76 Ca 0.04 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2apw s SER 76 Cb -0.14 -1.39 -0.01 0.00 0.21 0.00 0.00 66.02 64.69 2apw s SER 76 CO -0.05 0.26 -0.14 -0.22 0.41 0.00 0.00 173.24 173.51 2apw s LEU 77 N -1.69 2.69 -0.16 2.44 2.96 0.79 -1.18 118.68 124.52 2apw s LEU 77 Ca 0.21 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 2apw s LEU 77 Cb -0.12 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 44.99 2apw s LEU 77 CO 0.12 0.18 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.51 2apw s ILE 78 N 0.28 1.93 -0.45 6.68 1.01 0.12 0.45 121.20 131.22 2apw s ILE 78 Ca -0.10 -0.87 -0.16 0.00 0.00 0.00 0.00 60.65 59.52 2apw s ILE 78 Cb -0.16 -1.75 0.05 0.00 0.01 0.00 0.00 42.46 40.61 2apw s ILE 78 CO 0.06 0.52 0.42 -0.76 0.00 0.00 0.00 174.94 175.17 2apw s LEU 79 N 1.22 5.26 0.26 2.97 1.02 0.16 -0.64 118.68 128.93 2apw s LEU 79 Ca 0.02 -1.04 -0.04 0.00 0.02 0.00 0.00 54.13 53.09 2apw s LEU 79 Cb -0.14 -2.26 0.31 0.00 0.02 0.00 0.00 46.19 44.13 2apw s LEU 79 CO -0.10 -0.63 1.85 1.62 0.02 0.00 0.00 176.35 179.11 2apw h VAL 80 N 5.74 1.24 -2.04 -1.59 3.04 -1.82 0.12 116.25 120.93 2apw h VAL 80 Ca -0.28 -0.69 -0.38 0.00 -1.01 0.00 0.00 66.70 64.35 2apw h VAL 80 Cb 1.11 0.30 -0.32 0.00 -2.01 0.00 0.00 31.29 30.37 2apw h VAL 80 CO 0.84 0.29 -0.69 -0.55 -1.01 0.00 0.00 177.57 176.45 2apw s SER 81 N -6.40 1.41 0.27 3.17 0.15 -1.26 -3.78 113.70 107.26 2apw s SER 81 Ca -0.11 -1.46 -0.29 0.00 0.70 0.00 0.00 55.95 54.78 2apw s SER 81 Cb 0.16 0.48 -0.14 0.00 -1.71 0.00 0.00 66.02 64.81 2apw s SER 81 CO 0.82 -0.29 1.16 0.00 1.20 0.00 0.00 173.24 176.13 2apw n ALA 82 N 4.44 0.20 -2.60 5.45 0.00 -0.19 -4.56 120.51 123.25 2apw n ALA 82 Ca 0.09 0.40 -0.20 0.00 0.00 0.00 0.00 53.44 53.73 2apw n ALA 82 Cb 0.45 -2.11 -0.12 0.00 0.00 0.00 0.00 19.45 17.67 2apw n ALA 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2apw s THR 83 N -0.72 1.36 0.56 0.00 -4.23 -1.26 -0.69 115.64 110.65 2apw s THR 83 Ca 0.62 -1.49 0.31 0.00 -1.18 0.00 0.00 61.69 59.95 2apw s THR 83 Cb -0.69 -1.34 0.44 0.00 1.34 0.00 0.00 72.50 72.25 2apw s THR 83 CO 0.57 -0.22 1.87 -0.65 -0.54 0.00 0.00 174.62 175.64 2apw h PRO 84 N 4.02 0.00 0.00 3.99 0.11 -1.93 0.16 132.00 138.35 2apw h PRO 84 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2apw h PRO 84 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2apw h PRO 84 CO 0.43 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.09 2apw n SER 85 N -4.01 0.73 -0.26 -2.05 3.41 -1.26 -1.80 113.62 108.39 2apw n SER 85 Ca 0.15 0.66 0.14 0.00 -0.26 0.00 0.00 58.87 59.56 2apw n SER 85 Cb 0.88 -0.82 0.58 0.00 -0.26 0.00 0.00 64.21 64.59 2apw n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2apw n GLN 86 N -2.29 1.11 -1.75 4.33 6.02 0.04 -4.85 117.38 119.99 2apw n GLN 86 Ca 0.03 -0.52 -0.42 0.00 -0.01 0.00 0.00 57.00 56.08 2apw n GLN 86 Cb 0.26 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.00 2apw n GLN 86 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2apw s SER 87 N -2.24 6.42 -0.00 1.08 0.01 -0.75 -4.90 113.70 113.32 2apw s SER 87 Ca 0.34 2.80 -0.05 0.00 1.31 0.00 0.00 55.95 60.35 2apw s SER 87 Cb 0.20 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.86 2apw s SER 87 CO 0.42 -0.96 0.22 -0.24 0.41 0.00 0.00 173.24 173.08 2apw n SER 88 N 4.44 -0.21 -4.26 2.44 2.88 -0.48 -5.00 113.62 113.43 2apw n SER 88 Ca 0.16 -1.05 -0.33 0.00 -1.33 0.00 0.00 58.87 56.32 2apw n SER 88 Cb 0.36 0.32 -0.15 0.00 -0.75 0.00 0.00 64.21 63.99 2apw n SER 88 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2apw s VAL 89 N -2.15 2.64 -0.08 2.46 1.01 -1.18 -0.50 120.40 122.60 2apw s VAL 89 Ca 0.05 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 2apw s VAL 89 Cb -0.00 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 2apw s VAL 89 CO -0.00 0.52 -0.02 -0.31 0.00 0.00 0.00 175.10 175.29 2apw s TYR 90 N 0.80 3.10 -0.07 5.22 1.51 0.32 -0.26 117.35 127.97 2apw s TYR 90 Ca -0.06 0.13 0.02 0.00 -1.01 0.00 0.00 57.07 56.15 2apw s TYR 90 Cb -0.15 -1.78 0.01 0.00 -0.11 0.00 0.00 41.96 39.94 2apw s TYR 90 CO 0.00 0.41 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.68 2apw s PHE 91 N -0.81 1.39 0.29 2.71 0.08 -0.21 -0.26 117.98 121.17 2apw s PHE 91 Ca 0.12 -0.51 -0.04 0.00 0.12 0.00 0.00 56.93 56.61 2apw s PHE 91 Cb -0.11 -1.04 -0.05 0.00 -0.57 0.00 0.00 43.02 41.25 2apw s PHE 91 CO 0.02 -0.28 0.55 0.00 -0.10 0.00 0.00 175.22 175.41 2apw s ALA 93 N -2.09 -0.05 0.32 0.00 0.00 -0.44 -0.68 121.76 118.82 2apw s ALA 93 Ca 0.43 -0.44 0.08 0.00 0.00 0.00 0.00 51.96 52.03 2apw s ALA 93 Cb -0.11 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2apw s ALA 93 CO 0.30 -0.20 0.18 -1.54 0.00 0.00 0.00 175.76 174.51 2apw s SER 94 N -1.55 4.98 0.00 0.00 1.04 -0.41 -0.64 113.70 117.13 2apw s SER 94 Ca -0.14 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2apw s SER 94 Cb -0.08 -0.91 0.00 0.00 0.10 0.00 0.00 66.02 65.13 2apw s SER 94 CO -0.01 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2apw n GLY 95 N -1.20 -0.30 3.36 7.32 0.00 -0.51 0.03 105.19 113.89 2apw n GLY 95 Ca -0.04 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 2apw n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2apw s VAL 96 N -2.00 0.01 0.00 1.61 0.11 -1.19 -0.93 120.40 118.02 2apw s VAL 96 Ca 0.00 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 58.93 2apw s VAL 96 Cb 0.00 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 2apw s VAL 96 CO 0.00 -0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 2apw n GLY 97 N 2.14 2.98 0.20 6.54 0.00 -1.26 -1.20 105.19 114.60 2apw n GLY 97 Ca -0.16 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.62 2apw n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2apw n GLY 98 N 0.00 -0.56 3.74 -0.02 0.00 -1.26 -4.92 105.19 102.17 2apw n GLY 98 Ca 0.00 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 2apw n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2apw s THR 99 N -1.97 4.14 -0.08 2.61 2.01 -0.34 -5.04 115.64 116.97 2apw s THR 99 Ca 0.38 1.84 0.01 0.00 0.31 0.00 0.00 61.69 64.23 2apw s THR 99 Cb 0.19 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.54 2apw s THR 99 CO 0.31 0.31 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.68 2apw s LEU 100 N -0.28 1.51 -0.35 4.42 1.43 -1.26 -3.14 118.68 121.01 2apw s LEU 100 Ca 0.48 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 2apw s LEU 100 Cb -0.27 -0.85 0.10 0.00 0.03 0.00 0.00 46.19 45.21 2apw s LEU 100 CO 0.33 -0.02 0.07 -0.31 0.23 0.00 0.00 176.35 176.65 2apw s TYR 101 N 1.01 3.74 0.32 0.29 1.51 0.10 -4.97 117.35 119.35 2apw s TYR 101 Ca -0.08 -2.95 -0.17 0.00 -1.01 0.00 0.00 57.07 52.86 2apw s TYR 101 Cb -0.15 -2.96 -0.09 0.00 -0.11 0.00 0.00 41.96 38.65 2apw s TYR 101 CO -0.00 -0.95 0.76 -0.06 -1.11 0.00 0.00 175.55 174.19 2apw s PHE 108 N 0.91 3.42 1.06 2.71 0.40 -1.26 -1.28 117.98 123.93 2apw s PHE 108 Ca 0.11 1.31 -0.16 0.00 -0.60 0.00 0.00 56.93 57.58 2apw s PHE 108 Cb -0.19 -2.60 0.23 0.00 0.51 0.00 0.00 43.02 40.97 2apw s PHE 108 CO -0.08 0.11 1.18 0.20 0.70 0.00 0.00 175.22 177.33 2apw s GLY 109 N -2.14 1.64 0.00 4.36 0.00 0.14 -4.75 107.32 106.57 2apw s GLY 109 Ca 0.53 -0.90 0.28 0.00 0.00 0.00 0.00 44.72 44.63 2apw s GLY 109 CO 0.18 -0.13 1.82 0.00 0.00 0.00 0.00 173.10 174.97 2apw n ALA 110 N -4.24 2.77 0.00 3.20 0.00 -1.26 -4.77 120.51 116.21 2apw n ALA 110 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2apw n ALA 110 Cb 0.59 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2apw n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2apw n GLY 111 N 1.36 1.25 2.89 0.00 0.00 -1.26 -5.03 105.19 104.40 2apw n GLY 111 Ca 0.12 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.16 2apw n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2apw s THR 112 N -2.55 1.10 -0.09 2.61 2.01 0.64 -4.77 115.64 114.59 2apw s THR 112 Ca 0.00 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 2apw s THR 112 Cb 0.00 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.22 2apw s THR 112 CO 0.00 0.13 1.05 -0.13 -0.69 0.00 0.00 174.62 174.98 2apw s ARG 113 N 1.64 4.41 -0.11 4.92 0.52 -1.00 -0.52 118.95 128.81 2apw s ARG 113 Ca 0.01 1.46 0.03 0.00 -0.52 0.00 0.00 55.73 56.71 2apw s ARG 113 Cb -0.15 -3.54 0.01 0.00 0.52 0.00 0.00 34.95 31.78 2apw s ARG 113 CO -0.08 -0.34 -0.21 -1.17 0.02 0.00 0.00 175.30 173.53 2apw s LEU 114 N 2.02 1.98 -0.19 2.53 2.96 0.35 -1.17 118.68 127.16 2apw s LEU 114 Ca 0.50 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 2apw s LEU 114 Cb -0.20 -1.30 0.02 0.00 0.50 0.00 0.00 46.19 45.22 2apw s LEU 114 CO 0.19 0.10 -0.18 -0.55 -1.32 0.00 0.00 176.35 174.60 2apw s SER 115 N 0.60 3.39 -0.23 3.68 0.15 -0.47 -1.38 113.70 119.44 2apw s SER 115 Ca -0.13 -0.75 -0.09 0.00 0.70 0.00 0.00 55.95 55.68 2apw s SER 115 Cb -0.17 -1.51 -0.04 0.00 -1.71 0.00 0.00 66.02 62.60 2apw s SER 115 CO 0.04 -0.03 0.11 -0.69 1.20 0.00 0.00 173.24 173.87 2apw s VAL 116 N 1.27 4.97 -2.36 4.45 1.01 -1.26 -0.32 120.40 128.17 2apw s VAL 116 Ca 0.03 0.04 0.19 0.00 0.00 0.00 0.00 61.98 62.24 2apw s VAL 116 Cb -0.14 -3.30 0.15 0.00 0.00 0.00 0.00 36.38 33.09 2apw s VAL 116 CO -0.11 0.37 1.10 0.18 0.00 0.00 0.00 175.10 176.64