#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4a n SER 2 N 0.00 -8.50 -3.71 1.61 2.88 -1.26 -5.09 113.62 99.56 1x4a n SER 2 Ca 0.00 1.30 -0.03 0.00 -1.33 0.00 0.00 58.87 58.81 1x4a n SER 2 Cb 0.00 -4.79 -0.01 0.00 -0.75 0.00 0.00 64.21 58.65 1x4a n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4a s SER 3 N -0.48 -0.16 0.08 -3.46 0.01 -1.26 -5.19 113.70 103.24 1x4a s SER 3 Ca 0.00 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 56.96 1x4a s SER 3 Cb 0.00 0.41 -0.04 0.00 0.21 0.00 0.00 66.02 66.60 1x4a s SER 3 CO 0.00 -0.74 -0.06 -0.83 0.41 0.00 0.00 173.24 172.02 1x4a s GLY 4 N -2.91 0.67 0.21 3.44 0.00 -1.26 -5.16 107.32 102.31 1x4a s GLY 4 Ca 0.12 -1.25 -0.22 0.00 0.00 0.00 0.00 44.72 43.37 1x4a s GLY 4 CO 0.00 -1.35 0.96 -1.35 0.00 0.00 0.00 173.10 171.36 1x4a s SER 5 N -2.84 -0.08 0.04 1.64 1.04 -1.26 -5.18 113.70 107.06 1x4a s SER 5 Ca 0.08 -0.64 -0.01 0.00 0.48 0.00 0.00 55.95 55.87 1x4a s SER 5 Cb 0.04 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 1x4a s SER 5 CO -0.05 -1.07 -0.03 -0.94 0.98 0.00 0.00 173.24 172.12 1x4a s SER 6 N -3.15 0.38 0.00 7.02 1.04 -1.26 -5.14 113.70 112.59 1x4a s SER 6 Ca 0.17 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1x4a s SER 6 Cb -0.03 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1x4a s SER 6 CO 0.05 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1x4a n GLY 7 N 0.75 3.90 2.77 7.32 0.00 -1.26 -5.10 105.19 113.57 1x4a n GLY 7 Ca -0.18 -0.35 -0.00 0.00 0.00 0.00 0.00 46.02 45.49 1x4a n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x4a n MET 8 N 0.00 -3.22 0.12 1.61 0.00 -1.26 -4.98 117.12 109.39 1x4a n MET 8 Ca 0.00 2.62 0.00 0.00 -0.00 0.00 0.00 57.70 60.32 1x4a n MET 8 Cb 0.00 -4.82 0.00 0.00 0.00 0.00 0.00 33.22 28.40 1x4a n MET 8 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1x4a n SER 9 N 0.89 -2.14 0.00 6.12 7.64 -1.26 -5.18 113.62 119.69 1x4a n SER 9 Ca -0.04 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1x4a n SER 9 Cb 0.11 2.19 0.00 0.00 -1.01 0.00 0.00 64.21 65.50 1x4a n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4a n GLY 10 N -1.39 0.68 3.12 0.23 0.00 -1.26 -5.10 105.19 101.48 1x4a n GLY 10 Ca 0.00 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 1x4a n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x4a s GLY 11 N 0.00 -0.07 0.00 -0.02 0.00 -1.26 -5.15 107.32 100.82 1x4a s GLY 11 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.97 1x4a s GLY 11 CO 0.00 0.12 0.00 0.61 0.00 0.00 0.00 173.10 173.83 1x4a n GLY 12 N 2.05 3.62 3.94 0.20 0.00 -1.26 -5.05 105.19 108.69 1x4a n GLY 12 Ca -0.18 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 1x4a n GLY 12 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1x4a n VAL 13 N -1.34 -3.12 -0.68 1.61 3.14 -1.26 -4.85 118.33 111.84 1x4a n VAL 13 Ca 0.00 -0.34 0.06 0.00 -2.96 0.00 0.00 64.34 61.10 1x4a n VAL 13 Cb 0.00 -2.66 0.09 0.00 -1.06 0.00 0.00 33.84 30.21 1x4a n VAL 13 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1x4a n ILE 14 N -3.92 1.53 -3.91 1.55 -5.35 -1.26 -5.05 119.36 102.94 1x4a n ILE 14 Ca -0.21 -1.76 -0.02 0.00 -0.27 0.00 0.00 62.75 60.49 1x4a n ILE 14 Cb 0.62 0.05 0.02 0.00 -1.74 0.00 0.00 39.64 38.59 1x4a n ILE 14 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1x4a s ARG 15 N -2.13 1.18 0.00 6.28 1.70 -1.26 -5.18 118.95 119.53 1x4a s ARG 15 Ca 0.20 -0.76 0.00 0.00 -0.47 0.00 0.00 55.73 54.69 1x4a s ARG 15 Cb 0.17 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.88 1x4a s ARG 15 CO 0.02 -0.55 0.00 0.41 -1.08 0.00 0.00 175.30 174.10 1x4a n GLY 16 N -0.75 2.38 3.76 3.88 0.00 -1.26 -5.07 105.19 108.13 1x4a n GLY 16 Ca -0.01 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 1x4a n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4a s PRO 17 N -3.34 -0.36 -0.05 1.61 0.04 -1.26 -5.08 135.00 126.56 1x4a s PRO 17 Ca 0.00 -0.28 -0.01 0.00 0.04 0.00 0.00 61.00 60.75 1x4a s PRO 17 Cb 0.00 -1.72 0.03 0.00 0.04 0.00 0.00 34.50 32.85 1x4a s PRO 17 CO 0.00 -3.10 0.03 0.00 0.04 0.00 0.00 177.00 173.96 1x4a s ALA 18 N -3.47 0.39 0.00 8.56 0.00 -1.26 -5.09 121.76 120.89 1x4a s ALA 18 Ca 0.73 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.78 1x4a s ALA 18 Cb -0.06 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1x4a s ALA 18 CO 0.55 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.35 1x4a n GLY 19 N 4.94 -0.38 3.59 0.00 0.00 -1.26 -5.07 105.19 107.01 1x4a n GLY 19 Ca -0.11 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1x4a n GLY 19 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x4a s ASN 20 N -4.00 5.93 0.00 1.61 2.47 -1.26 -4.88 114.94 114.81 1x4a s ASN 20 Ca 0.00 0.98 0.00 0.00 0.42 0.00 0.00 52.86 54.26 1x4a s ASN 20 Cb 0.00 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 1x4a s ASN 20 CO 0.00 -1.74 0.00 0.59 -3.72 0.00 0.00 177.10 172.23 1x4a n ASN 21 N 10.23 0.00 -1.54 -4.21 4.13 -1.26 -5.16 115.26 117.46 1x4a n ASN 21 Ca 0.20 0.00 0.10 0.00 1.68 0.00 0.00 54.58 56.56 1x4a n ASN 21 Cb 0.48 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.67 1x4a n ASN 21 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1x4a n ASP 22 N 0.00 -8.28 0.00 6.41 9.92 -1.26 -4.58 116.55 118.76 1x4a n ASP 22 Ca 0.00 1.69 0.00 0.00 -0.53 0.00 0.00 54.79 55.95 1x4a n ASP 22 Cb 0.00 -5.16 0.00 0.00 -0.64 0.00 0.00 41.12 35.32 1x4a n ASP 22 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x4a s ARG 24 N 0.00 4.41 -0.01 0.00 1.70 -1.26 -0.02 118.95 123.78 1x4a s ARG 24 Ca 0.00 0.85 0.06 0.00 -0.47 0.00 0.00 55.73 56.17 1x4a s ARG 24 Cb 0.00 -3.46 -0.02 0.00 -0.57 0.00 0.00 34.95 30.90 1x4a s ARG 24 CO 0.00 0.03 -0.20 0.96 -1.08 0.00 0.00 175.30 175.02 1x4a s ILE 25 N 0.92 1.55 -0.23 4.99 -4.36 0.23 -4.52 121.20 119.79 1x4a s ILE 25 Ca 0.36 -0.87 -0.10 0.00 -0.26 0.00 0.00 60.65 59.78 1x4a s ILE 25 Cb -0.17 -1.30 -0.05 0.00 1.25 0.00 0.00 42.46 42.19 1x4a s ILE 25 CO 0.17 0.41 0.14 -0.47 0.24 0.00 0.00 174.94 175.43 1x4a s TYR 26 N -0.49 3.31 -0.26 1.37 5.04 -0.74 -0.15 117.35 125.42 1x4a s TYR 26 Ca 0.07 0.20 -0.04 0.00 -2.44 0.00 0.00 57.07 54.86 1x4a s TYR 26 Cb -0.08 -2.23 0.01 0.00 0.35 0.00 0.00 41.96 40.02 1x4a s TYR 26 CO -0.01 0.10 0.00 0.08 -1.34 0.00 0.00 175.55 174.38 1x4a s VAL 27 N 0.88 3.47 0.51 3.14 1.01 -0.55 -1.31 120.40 127.55 1x4a s VAL 27 Ca 0.07 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1x4a s VAL 27 Cb -0.13 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.56 1x4a s VAL 27 CO 0.03 0.21 0.28 0.61 0.00 0.00 0.00 175.10 176.22 1x4a n GLY 28 N 4.78 3.00 3.46 4.51 0.00 0.06 -2.86 105.19 118.14 1x4a n GLY 28 Ca -0.16 -2.31 -0.18 0.00 0.00 0.00 0.00 46.02 43.36 1x4a n GLY 28 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x4a n ASN 29 N -1.69 -6.18 -4.66 1.61 4.13 -1.26 -1.05 115.26 106.16 1x4a n ASN 29 Ca -0.07 -0.68 -0.24 0.00 1.68 0.00 0.00 54.58 55.27 1x4a n ASN 29 Cb 0.60 -3.90 -0.07 0.00 -1.54 0.00 0.00 39.78 34.87 1x4a n ASN 29 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1x4a s LEU 30 N -5.29 3.25 0.80 3.41 1.43 -1.23 -3.76 118.68 117.28 1x4a s LEU 30 Ca 0.24 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 1x4a s LEU 30 Cb -0.07 -1.81 0.07 0.00 0.03 0.00 0.00 46.19 44.41 1x4a s LEU 30 CO 0.82 0.02 1.10 -2.16 0.23 0.00 0.00 176.35 176.36 1x4a s PRO 31 N -3.48 2.10 0.33 1.29 0.04 -1.26 -4.22 135.00 129.79 1x4a s PRO 31 Ca 0.30 0.64 0.17 0.00 0.04 0.00 0.00 61.00 62.15 1x4a s PRO 31 Cb -0.07 -1.92 0.43 0.00 0.04 0.00 0.00 34.50 32.98 1x4a s PRO 31 CO 0.20 -1.61 1.62 -1.00 0.04 0.00 0.00 177.00 176.24 1x4a h PRO 32 N -1.08 0.00 -1.64 0.56 0.13 -2.00 -3.18 132.00 124.79 1x4a h PRO 32 Ca -0.47 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 63.95 1x4a h PRO 32 Cb 1.27 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.09 1x4a h PRO 32 CO 0.59 0.46 0.60 -3.47 -0.23 0.00 0.00 178.00 175.95 1x4a n ASP 33 N -3.43 6.91 -4.93 1.44 2.03 -1.26 -4.98 116.55 112.33 1x4a n ASP 33 Ca 0.00 -3.80 -0.25 0.00 0.52 0.00 0.00 54.79 51.26 1x4a n ASP 33 Cb 0.61 -0.90 -0.03 0.00 -0.72 0.00 0.00 41.12 40.08 1x4a n ASP 33 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1x4a s ILE 34 N -5.08 5.20 0.12 5.18 1.10 -1.20 -5.12 121.20 121.40 1x4a s ILE 34 Ca 0.54 -0.82 0.04 0.00 -0.51 0.00 0.00 60.65 59.90 1x4a s ILE 34 Cb 0.45 -3.71 -0.04 0.00 0.15 0.00 0.00 42.46 39.30 1x4a s ILE 34 CO -0.27 -0.16 -0.11 -0.13 -2.11 0.00 0.00 174.94 172.16 1x4a s ARG 35 N -3.42 0.98 0.17 3.50 0.52 -1.26 -5.05 118.95 114.40 1x4a s ARG 35 Ca 0.34 -1.31 -0.10 0.00 -0.52 0.00 0.00 55.73 54.15 1x4a s ARG 35 Cb -0.10 -0.65 0.04 0.00 0.52 0.00 0.00 34.95 34.76 1x4a s ARG 35 CO 0.28 0.10 1.60 1.15 0.02 0.00 0.00 175.30 178.45 1x4a h THR 36 N 3.20 1.27 0.82 0.02 2.02 -2.00 -2.15 112.91 116.09 1x4a h THR 36 Ca -0.37 -1.24 -0.04 0.00 0.77 0.00 0.00 66.41 65.53 1x4a h THR 36 Cb 1.19 0.92 0.01 0.00 -1.74 0.00 0.00 68.15 68.53 1x4a h THR 36 CO 0.57 0.44 -0.39 0.11 0.37 0.00 0.00 175.52 176.62 1x4a h LYS 37 N 0.93 -1.06 -0.80 6.66 1.57 -1.97 0.37 116.57 122.27 1x4a h LYS 37 Ca 0.15 0.07 0.19 0.00 -1.87 0.00 0.00 60.65 59.19 1x4a h LYS 37 Cb 0.65 0.24 -0.14 0.00 0.08 0.00 0.00 32.23 33.06 1x4a h LYS 37 CO 0.04 -0.69 0.06 -0.44 -0.57 0.00 0.00 179.45 177.85 1x4a h ASP 38 N -1.17 -0.27 0.02 0.86 3.32 -1.98 1.68 116.42 118.88 1x4a h ASP 38 Ca -0.11 0.20 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1x4a h ASP 38 Cb 0.85 0.33 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1x4a h ASP 38 CO 0.18 -0.18 -0.19 0.40 -1.72 0.00 0.00 179.24 177.73 1x4a h ILE 39 N 0.13 1.22 0.30 0.35 2.04 -1.11 -0.34 117.51 120.10 1x4a h ILE 39 Ca 0.46 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1x4a h ILE 39 Cb 0.84 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1x4a h ILE 39 CO -0.68 0.32 -0.14 -0.08 0.00 0.00 0.00 178.15 177.56 1x4a h GLU 40 N 0.28 -0.39 -0.88 2.37 4.81 0.64 -2.72 114.58 118.70 1x4a h GLU 40 Ca 0.05 0.03 0.25 0.00 -0.13 0.00 0.00 59.36 59.56 1x4a h GLU 40 Cb 0.51 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 1x4a h GLU 40 CO 0.03 -0.26 0.63 0.22 -0.73 0.00 0.00 179.01 178.91 1x4a h ASP 41 N -0.64 0.01 0.41 1.04 3.58 0.29 0.54 116.42 121.66 1x4a h ASP 41 Ca -0.04 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 1x4a h ASP 41 Cb 0.31 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.35 1x4a h ASP 41 CO 0.07 0.00 -0.27 0.58 -2.88 0.00 0.00 179.24 176.74 1x4a h VAL 42 N 0.01 0.00 0.00 2.25 2.07 -0.99 -2.75 116.25 116.84 1x4a h VAL 42 Ca 0.42 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.88 1x4a h VAL 42 Cb 1.66 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1x4a h VAL 42 CO -0.01 0.00 -0.26 -0.26 0.02 0.00 0.00 177.57 177.06 1x4a h PHE 43 N -0.65 0.00 0.00 1.57 -1.00 -0.91 -2.48 116.94 113.48 1x4a h PHE 43 Ca -0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.73 1x4a h PHE 43 Cb 0.52 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.08 1x4a h PHE 43 CO -0.04 0.26 0.36 -0.92 -1.61 0.00 0.00 178.31 176.36 1x4a h TYR 44 N 0.00 0.00 0.00 -0.55 5.03 0.33 0.51 116.97 122.28 1x4a h TYR 44 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1x4a h TYR 44 Cb 0.54 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.82 1x4a h TYR 44 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 178.16 178.41 1x4a h LYS 45 N 0.00 0.00 0.00 1.82 5.09 -1.32 -3.01 116.57 119.15 1x4a h LYS 45 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.65 1x4a h LYS 45 Cb 0.71 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.03 1x4a h LYS 45 CO 0.00 0.00 -1.23 0.66 -2.09 0.00 0.00 179.45 176.79 1x4a n TYR 46 N -2.39 0.13 0.00 0.07 4.01 0.18 -5.10 117.16 114.05 1x4a n TYR 46 Ca -0.01 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1x4a n TYR 46 Cb 0.07 -0.63 0.00 0.00 -0.31 0.00 0.00 39.34 38.47 1x4a n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x4a n GLY 47 N 1.44 4.01 3.43 2.72 0.00 -1.14 -5.11 105.19 110.53 1x4a n GLY 47 Ca -0.21 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 1x4a n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4a s ALA 48 N -1.61 2.36 -0.04 4.61 0.00 -1.26 -4.48 121.76 121.34 1x4a s ALA 48 Ca 0.00 -1.90 0.06 0.00 0.00 0.00 0.00 51.96 50.12 1x4a s ALA 48 Cb 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1x4a s ALA 48 CO 0.00 -0.06 -0.23 0.42 0.00 0.00 0.00 175.76 175.89 1x4a s ILE 49 N -2.99 2.27 -0.17 0.00 1.01 -1.26 -3.97 121.20 116.09 1x4a s ILE 49 Ca 0.29 -1.01 -0.20 0.00 0.00 0.00 0.00 60.65 59.73 1x4a s ILE 49 Cb 0.03 -1.82 -0.17 0.00 0.01 0.00 0.00 42.46 40.51 1x4a s ILE 49 CO 0.12 0.58 0.32 -0.09 0.00 0.00 0.00 174.94 175.87 1x4a h ARG 50 N 5.68 0.00 -2.72 2.79 2.43 -0.69 -3.48 114.38 118.39 1x4a h ARG 50 Ca -0.40 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.74 1x4a h ARG 50 Cb 1.15 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.55 1x4a h ARG 50 CO 0.48 0.77 0.17 0.34 -1.51 0.00 0.00 179.97 180.23 1x4a s ASP 51 N -6.38 -0.57 -0.01 -3.80 2.15 -1.22 -5.02 116.67 101.83 1x4a s ASP 51 Ca -0.21 0.20 0.02 0.00 0.43 0.00 0.00 52.55 52.99 1x4a s ASP 51 Cb 0.02 0.57 -0.00 0.00 -0.30 0.00 0.00 42.92 43.20 1x4a s ASP 51 CO 0.52 -0.84 -0.06 -0.63 -0.17 0.00 0.00 175.17 173.99 1x4a s ILE 52 N -2.92 0.47 -0.17 4.11 1.01 -1.26 -1.41 121.20 121.03 1x4a s ILE 52 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.39 1x4a s ILE 52 Cb -0.01 -0.41 0.04 0.00 0.01 0.00 0.00 42.46 42.09 1x4a s ILE 52 CO -0.06 0.14 -0.09 -0.62 0.00 0.00 0.00 174.94 174.32 1x4a s ASP 53 N 0.01 2.96 -0.17 3.58 -1.08 -0.26 -4.94 116.67 116.76 1x4a s ASP 53 Ca 0.00 -0.69 -0.01 0.00 -0.52 0.00 0.00 52.55 51.34 1x4a s ASP 53 Cb -0.04 -1.06 -0.00 0.00 -1.46 0.00 0.00 42.92 40.36 1x4a s ASP 53 CO -0.00 -0.15 -0.13 -0.22 0.52 0.00 0.00 175.17 175.19 1x4a s LEU 54 N 1.53 2.54 -1.06 -1.34 2.96 -1.26 0.11 118.68 122.15 1x4a s LEU 54 Ca 0.01 -0.47 -0.19 0.00 -0.22 0.00 0.00 54.13 53.26 1x4a s LEU 54 Cb -0.15 -1.60 0.11 0.00 0.50 0.00 0.00 46.19 45.05 1x4a s LEU 54 CO -0.08 0.05 1.36 -0.54 -1.32 0.00 0.00 176.35 175.82 1x4a s LYS 55 N 1.04 3.75 0.20 1.98 3.01 -0.28 -4.98 119.74 124.47 1x4a s LYS 55 Ca -0.01 -1.79 -0.23 0.00 -1.01 0.00 0.00 55.97 52.93 1x4a s LYS 55 Cb -0.15 -5.16 -0.08 0.00 -1.01 0.00 0.00 37.83 31.43 1x4a s LYS 55 CO -0.03 -1.96 0.77 0.54 0.51 0.00 0.00 175.35 175.18 1x4a s ASN 56 N 3.93 7.26 -0.02 2.83 2.20 -1.26 -4.41 114.94 125.46 1x4a s ASN 56 Ca 0.41 1.58 -0.02 0.00 -0.94 0.00 0.00 52.86 53.89 1x4a s ASN 56 Cb -0.02 -2.48 0.01 0.00 -2.00 0.00 0.00 41.25 36.76 1x4a s ASN 56 CO -0.05 0.11 0.05 -1.14 -2.94 0.00 0.00 177.10 173.13 1x4a n ARG 57 N 1.15 -3.90 0.01 3.55 0.63 -1.26 -5.02 116.66 111.81 1x4a n ARG 57 Ca -0.04 2.97 0.00 0.00 -0.92 0.00 0.00 57.85 59.86 1x4a n ARG 57 Cb 0.50 -3.85 0.00 0.00 0.45 0.00 0.00 32.46 29.56 1x4a n ARG 57 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1x4a n ARG 58 N 1.39 0.00 0.00 -0.14 0.63 -1.26 -5.17 116.66 112.10 1x4a n ARG 58 Ca -0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 1x4a n ARG 58 Cb 0.12 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.03 1x4a n ARG 58 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x4a n GLY 59 N -1.37 -0.97 6.39 5.14 0.00 -1.26 -5.15 105.19 107.96 1x4a n GLY 59 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1x4a n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4a n GLY 60 N -0.47 0.61 3.81 -0.02 0.00 -1.26 -4.58 105.19 103.28 1x4a n GLY 60 Ca 0.00 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 1x4a n GLY 60 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4a s PRO 61 N 0.00 3.39 0.13 1.61 0.04 -1.26 -5.00 135.00 133.90 1x4a s PRO 61 Ca 0.00 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.90 1x4a s PRO 61 Cb 0.00 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 1x4a s PRO 61 CO 0.00 -0.75 1.14 -1.25 0.04 0.00 0.00 177.00 176.18 1x4a s PRO 62 N -4.10 4.52 0.12 0.56 0.04 -1.26 -4.93 135.00 129.94 1x4a s PRO 62 Ca 0.63 1.73 0.05 0.00 0.04 0.00 0.00 61.00 63.45 1x4a s PRO 62 Cb -0.15 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 1x4a s PRO 62 CO 0.37 -0.07 -0.13 -0.59 0.04 0.00 0.00 177.00 176.62 1x4a s PHE 63 N 0.31 1.34 0.23 0.56 -0.71 -1.26 -3.53 117.98 114.91 1x4a s PHE 63 Ca 0.53 -0.57 -0.17 0.00 -1.04 0.00 0.00 56.93 55.68 1x4a s PHE 63 Cb -0.29 -0.70 0.02 0.00 -1.21 0.00 0.00 43.02 40.83 1x4a s PHE 63 CO 0.33 0.12 0.55 0.00 -1.34 0.00 0.00 175.22 174.87 1x4a s ALA 64 N -2.21 -0.79 0.10 1.99 0.00 -1.13 -1.12 121.76 118.60 1x4a s ALA 64 Ca 0.08 -0.43 0.10 0.00 0.00 0.00 0.00 51.96 51.72 1x4a s ALA 64 Cb -0.04 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 1x4a s ALA 64 CO 0.02 -0.86 -0.26 -0.06 0.00 0.00 0.00 175.76 174.60 1x4a s PHE 65 N -3.92 2.27 -0.09 0.00 0.08 0.30 -1.49 117.98 115.13 1x4a s PHE 65 Ca 0.13 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.81 1x4a s PHE 65 Cb -0.02 -1.27 0.02 0.00 -0.57 0.00 0.00 43.02 41.18 1x4a s PHE 65 CO 0.02 0.27 -0.13 0.08 -0.10 0.00 0.00 175.22 175.36 1x4a s VAL 66 N -0.99 1.28 -0.32 -0.44 1.01 0.78 -1.10 120.40 120.62 1x4a s VAL 66 Ca 0.13 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 1x4a s VAL 66 Cb -0.10 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1x4a s VAL 66 CO 0.05 0.39 0.13 -0.70 0.00 0.00 0.00 175.10 174.97 1x4a s GLU 67 N 0.94 3.02 0.56 2.72 2.12 -0.50 0.78 118.70 128.34 1x4a s GLU 67 Ca -0.09 -0.92 -0.07 0.00 0.36 0.00 0.00 54.97 54.25 1x4a s GLU 67 Cb -0.15 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.72 1x4a s GLU 67 CO 0.00 -0.52 0.90 -0.06 -0.54 0.00 0.00 175.26 175.03 1x4a s PHE 68 N 1.52 3.48 0.06 5.30 0.08 0.97 0.03 117.98 129.42 1x4a s PHE 68 Ca 0.02 0.89 -0.15 0.00 0.12 0.00 0.00 56.93 57.81 1x4a s PHE 68 Cb -0.18 -2.57 -0.19 0.00 -0.57 0.00 0.00 43.02 39.50 1x4a s PHE 68 CO 0.04 -0.59 1.22 0.93 -0.10 0.00 0.00 175.22 176.73 1x4a h GLU 69 N -0.08 0.64 -6.57 0.44 4.39 -1.89 -3.44 114.58 108.08 1x4a h GLU 69 Ca -0.46 -0.59 -0.65 0.00 0.34 0.00 0.00 59.36 58.01 1x4a h GLU 69 Cb 1.22 0.14 -0.19 0.00 -0.10 0.00 0.00 28.75 29.82 1x4a h GLU 69 CO 0.62 1.20 -0.82 -0.51 -1.16 0.00 0.00 179.01 178.33 1x4a s ASP 70 N -6.99 3.36 0.03 1.42 1.01 -1.26 -5.05 116.67 109.19 1x4a s ASP 70 Ca -0.11 -0.86 -0.18 0.00 0.71 0.00 0.00 52.55 52.11 1x4a s ASP 70 Cb 0.07 -0.24 -0.21 0.00 1.01 0.00 0.00 42.92 43.54 1x4a s ASP 70 CO 0.88 0.11 1.16 1.55 0.21 0.00 0.00 175.17 179.08 1x4a h PRO 71 N 3.24 0.50 -0.95 8.23 0.13 -1.81 -2.00 132.00 139.34 1x4a h PRO 71 Ca -0.46 -0.49 0.28 0.00 -0.87 0.00 0.00 66.00 64.46 1x4a h PRO 71 Cb 1.21 0.13 -0.17 0.00 0.13 0.00 0.00 31.00 32.29 1x4a h PRO 71 CO 0.48 1.12 0.15 0.00 -0.23 0.00 0.00 178.00 179.52 1x4a h ARG 72 N 0.06 0.06 0.01 0.86 3.08 -1.94 0.53 114.38 117.03 1x4a h ARG 72 Ca -0.07 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1x4a h ARG 72 Cb 1.31 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1x4a h ARG 72 CO 0.13 0.04 -0.01 -0.44 -1.07 0.00 0.00 179.97 178.62 1x4a h ASP 73 N 0.06 -0.01 -1.22 7.04 5.19 -1.99 -2.60 116.42 122.89 1x4a h ASP 73 Ca 0.62 -0.69 0.45 0.00 -0.62 0.00 0.00 57.03 56.78 1x4a h ASP 73 Cb 1.33 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.69 1x4a h ASP 73 CO -0.83 0.81 0.74 0.00 -3.12 0.00 0.00 179.24 176.85 1x4a h ALA 74 N -0.25 2.54 0.02 3.45 0.00 -0.20 0.81 119.26 125.63 1x4a h ALA 74 Ca -0.00 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1x4a h ALA 74 Cb 0.70 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1x4a h ALA 74 CO 0.00 -1.26 -0.01 0.93 0.00 0.00 0.00 179.25 178.91 1x4a h GLU 75 N 0.02 -0.03 -1.59 0.00 5.08 -0.10 -1.12 114.58 116.85 1x4a h GLU 75 Ca 0.86 0.00 0.51 0.00 -1.00 0.00 0.00 59.36 59.73 1x4a h GLU 75 Cb 2.55 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 31.69 1x4a h GLU 75 CO -0.58 -0.02 1.07 -0.44 -1.00 0.00 0.00 179.01 178.04 1x4a h ASP 76 N -0.10 0.13 0.43 1.42 3.32 -0.77 1.63 116.42 122.49 1x4a h ASP 76 Ca -0.00 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1x4a h ASP 76 Cb 0.02 0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1x4a h ASP 76 CO 0.01 -0.17 -0.21 0.00 -1.72 0.00 0.00 179.24 177.15 1x4a h ALA 77 N 1.40 -0.58 -0.33 3.45 0.00 0.53 1.38 119.26 125.11 1x4a h ALA 77 Ca 0.90 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.78 1x4a h ALA 77 Cb 3.15 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 21.15 1x4a h ALA 77 CO -0.31 -0.54 0.25 -0.24 0.00 0.00 0.00 179.25 178.42 1x4a h VAL 78 N -1.15 0.75 0.00 0.00 3.04 0.16 0.36 116.25 119.40 1x4a h VAL 78 Ca -0.06 0.00 -0.24 0.00 -1.01 0.00 0.00 66.70 65.39 1x4a h VAL 78 Cb 0.45 0.82 -0.04 0.00 -2.01 0.00 0.00 31.29 30.51 1x4a h VAL 78 CO 0.10 0.00 -1.35 1.88 -1.01 0.00 0.00 177.57 177.19 1x4a h TYR 79 N 0.00 0.00 0.00 3.17 -1.99 0.21 -3.24 116.97 115.11 1x4a h TYR 79 Ca 0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.89 1x4a h TYR 79 Cb 0.66 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.39 1x4a h TYR 79 CO 0.00 0.92 0.00 0.41 -0.00 0.00 0.00 178.16 179.49 1x4a n GLY 80 N 1.44 1.10 0.30 3.88 0.00 0.47 -4.23 105.19 108.15 1x4a n GLY 80 Ca -0.09 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.22 1x4a n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4a n ARG 81 N -0.91 -0.06 -1.49 1.61 5.12 0.97 -4.31 116.66 117.60 1x4a n ARG 81 Ca 0.00 1.30 -0.38 0.00 -1.93 0.00 0.00 57.85 56.84 1x4a n ARG 81 Cb 0.00 -2.33 -0.16 0.00 -1.16 0.00 0.00 32.46 28.82 1x4a n ARG 81 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1x4a n ASP 82 N -5.14 0.06 0.00 0.55 2.03 -1.22 0.82 116.55 113.65 1x4a n ASP 82 Ca 0.35 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.74 1x4a n ASP 82 Cb 1.18 -0.86 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 1x4a n ASP 82 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x4a n GLY 83 N 6.31 1.01 3.89 0.27 0.00 -1.21 -4.90 105.19 110.57 1x4a n GLY 83 Ca 0.66 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.38 1x4a n GLY 83 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x4a s TYR 84 N -2.00 3.46 -0.42 1.61 5.04 0.24 -4.90 117.35 120.38 1x4a s TYR 84 Ca 0.00 0.69 -0.08 0.00 -2.44 0.00 0.00 57.07 55.25 1x4a s TYR 84 Cb 0.00 -2.13 0.09 0.00 0.35 0.00 0.00 41.96 40.26 1x4a s TYR 84 CO 0.00 0.24 0.25 0.34 -1.34 0.00 0.00 175.55 175.03 1x4a s ASP 85 N -2.83 5.53 -0.63 4.32 2.15 -1.26 -1.14 116.67 122.82 1x4a s ASP 85 Ca 0.44 -1.64 -0.15 0.00 0.43 0.00 0.00 52.55 51.63 1x4a s ASP 85 Cb -0.11 -1.95 0.16 0.00 -0.30 0.00 0.00 42.92 40.72 1x4a s ASP 85 CO 0.27 -0.54 0.58 -0.47 -0.17 0.00 0.00 175.17 174.83 1x4a s TYR 86 N 1.36 3.41 -1.83 -5.34 6.14 0.36 -4.40 117.35 117.05 1x4a s TYR 86 Ca 0.04 -1.51 0.00 0.00 0.64 0.00 0.00 57.07 56.24 1x4a s TYR 86 Cb -0.23 -3.80 0.00 0.00 0.42 0.00 0.00 41.96 38.34 1x4a s TYR 86 CO 0.00 -1.01 0.00 -3.47 0.64 0.00 0.00 175.55 171.71 1x4a n ASP 87 N 4.85 -5.29 0.00 4.32 2.03 -1.26 -0.15 116.55 121.06 1x4a n ASP 87 Ca -0.05 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1x4a n ASP 87 Cb 0.42 -4.55 0.00 0.00 -0.72 0.00 0.00 41.12 36.27 1x4a n ASP 87 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x4a n GLY 88 N -0.68 2.38 3.60 0.27 0.00 -1.26 -5.03 105.19 104.46 1x4a n GLY 88 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1x4a n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x4a s TYR 89 N -2.44 2.47 -0.08 1.61 1.51 0.79 -4.97 117.35 116.25 1x4a s TYR 89 Ca 0.00 0.64 -0.30 0.00 -1.01 0.00 0.00 57.07 56.40 1x4a s TYR 89 Cb 0.00 -4.37 -0.03 0.00 -0.11 0.00 0.00 41.96 37.46 1x4a s TYR 89 CO 0.00 -1.81 1.22 1.03 -1.11 0.00 0.00 175.55 174.88 1x4a s ARG 90 N 4.94 4.32 0.42 -0.62 0.52 -1.26 -0.48 118.95 126.79 1x4a s ARG 90 Ca 0.56 1.68 0.02 0.00 -0.52 0.00 0.00 55.73 57.47 1x4a s ARG 90 Cb -0.11 -3.60 -0.01 0.00 0.52 0.00 0.00 34.95 31.75 1x4a s ARG 90 CO 0.31 -0.51 0.62 -0.51 0.02 0.00 0.00 175.30 175.23 1x4a s LEU 91 N 2.48 3.75 -0.34 2.53 1.43 -0.29 -4.71 118.68 123.53 1x4a s LEU 91 Ca 0.56 0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1x4a s LEU 91 Cb -0.24 -3.08 0.11 0.00 0.03 0.00 0.00 46.19 43.01 1x4a s LEU 91 CO 0.21 -0.61 0.13 -0.13 0.23 0.00 0.00 176.35 176.17 1x4a s ARG 92 N -4.45 0.84 -0.15 1.70 0.52 -0.21 -3.28 118.95 113.91 1x4a s ARG 92 Ca 0.47 -1.29 -0.16 0.00 -0.52 0.00 0.00 55.73 54.24 1x4a s ARG 92 Cb -0.10 -2.07 -0.04 0.00 0.52 0.00 0.00 34.95 33.26 1x4a s ARG 92 CO 0.36 -1.03 0.37 0.08 0.02 0.00 0.00 175.30 175.10 1x4a s VAL 93 N 1.33 5.26 -0.04 3.52 1.01 -1.26 -0.76 120.40 129.45 1x4a s VAL 93 Ca 0.12 0.71 -0.31 0.00 0.00 0.00 0.00 61.98 62.50 1x4a s VAL 93 Cb -0.19 -3.71 0.07 0.00 0.00 0.00 0.00 36.38 32.55 1x4a s VAL 93 CO -0.19 0.36 0.68 -1.83 0.00 0.00 0.00 175.10 174.12 1x4a s GLU 94 N 0.57 1.06 0.52 2.72 -1.05 -0.42 -4.50 118.70 117.61 1x4a s GLU 94 Ca 0.20 0.24 -0.20 0.00 -0.15 0.00 0.00 54.97 55.07 1x4a s GLU 94 Cb -0.14 0.50 -0.07 0.00 -0.44 0.00 0.00 34.13 33.98 1x4a s GLU 94 CO 0.06 -0.34 1.09 -0.06 0.95 0.00 0.00 175.26 176.97 1x4a s PHE 95 N -1.25 2.81 -0.08 4.83 0.08 -1.26 -1.80 117.98 121.31 1x4a s PHE 95 Ca -0.11 1.56 -0.30 0.00 0.12 0.00 0.00 56.93 58.20 1x4a s PHE 95 Cb -0.00 -3.19 -0.03 0.00 -0.57 0.00 0.00 43.02 39.23 1x4a s PHE 95 CO 0.09 -1.25 1.23 -1.25 -0.10 0.00 0.00 175.22 173.95 1x4a s PRO 96 N -3.28 4.32 -0.30 0.24 0.04 -1.26 -4.89 135.00 129.86 1x4a s PRO 96 Ca 0.70 1.70 -0.13 0.00 0.04 0.00 0.00 61.00 63.31 1x4a s PRO 96 Cb -0.20 -3.61 0.19 0.00 0.04 0.00 0.00 34.50 30.91 1x4a s PRO 96 CO 0.24 -0.52 1.11 0.50 0.04 0.00 0.00 177.00 178.37 1x4a s ARG 97 N 2.55 0.08 -0.13 4.56 6.06 -1.26 -5.13 118.95 125.68 1x4a s ARG 97 Ca 0.56 0.03 -0.06 0.00 -2.50 0.00 0.00 55.73 53.76 1x4a s ARG 97 Cb -0.25 0.02 0.06 0.00 0.06 0.00 0.00 34.95 34.85 1x4a s ARG 97 CO 0.21 -0.14 0.30 0.45 -2.50 0.00 0.00 175.30 173.61 1x4a s SER 98 N 2.58 -0.10 0.00 -2.12 0.15 -1.26 -5.12 113.70 107.82 1x4a s SER 98 Ca 0.24 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1x4a s SER 98 Cb 0.01 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 1x4a s SER 98 CO -0.20 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1x4a n GLY 99 N 4.72 -0.48 3.81 9.45 0.00 -1.26 -5.03 105.19 116.40 1x4a n GLY 99 Ca -0.17 -2.23 -0.35 0.00 0.00 0.00 0.00 46.02 43.27 1x4a n GLY 99 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x4a s ARG 100 N -0.12 3.24 0.00 1.61 3.00 -1.26 -4.97 118.95 120.45 1x4a s ARG 100 Ca 0.00 -0.30 0.00 0.00 -1.00 0.00 0.00 55.73 54.43 1x4a s ARG 100 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 34.95 31.94 1x4a s ARG 100 CO 0.00 0.72 0.00 0.41 0.00 0.00 0.00 175.30 176.43 1x4a n GLY 101 N 1.72 -0.54 3.53 8.12 0.00 -1.26 -5.17 105.19 111.59 1x4a n GLY 101 Ca -0.17 0.33 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1x4a n GLY 101 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x4a s THR 102 N 0.00 -0.42 0.99 2.61 -1.32 -1.26 -5.14 115.64 111.09 1x4a s THR 102 Ca 0.00 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.37 1x4a s THR 102 Cb 0.00 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.17 1x4a s THR 102 CO 0.00 0.00 1.05 0.61 -2.21 0.00 0.00 174.62 174.07 1x4a n GLY 103 N 4.68 -0.91 3.16 6.08 0.00 -1.26 -5.05 105.19 111.89 1x4a n GLY 103 Ca -0.13 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1x4a n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4a s SER 104 N -2.53 -0.22 0.00 1.61 1.04 -1.26 -5.13 113.70 107.21 1x4a s SER 104 Ca 0.67 0.37 0.00 0.00 0.48 0.00 0.00 55.95 57.47 1x4a s SER 104 Cb -0.23 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1x4a s SER 104 CO 0.60 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.26 1x4a n GLY 105 N 2.50 2.40 3.80 7.32 0.00 -1.26 -5.04 105.19 114.91 1x4a n GLY 105 Ca -0.15 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 43.72 1x4a n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4a s PRO 106 N -3.58 3.68 0.40 1.61 0.04 -1.26 -4.85 135.00 131.04 1x4a s PRO 106 Ca 0.00 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1x4a s PRO 106 Cb 0.00 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1x4a s PRO 106 CO 0.00 -0.52 0.00 0.43 0.04 0.00 0.00 177.00 176.95 1x4a n SER 107 N -1.28 -6.64 -2.71 6.66 7.64 -1.26 -4.96 113.62 111.07 1x4a n SER 107 Ca 0.09 0.88 -0.02 0.00 1.01 0.00 0.00 58.87 60.83 1x4a n SER 107 Cb 0.53 -4.06 -0.02 0.00 -1.01 0.00 0.00 64.21 59.65 1x4a n SER 107 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x4a n SER 108 N -4.23 -4.89 0.00 6.43 2.88 -1.26 -5.05 113.62 107.50 1x4a n SER 108 Ca -0.04 1.34 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 1x4a n SER 108 Cb 0.62 -4.99 0.00 0.00 -0.75 0.00 0.00 64.21 59.09 1x4a n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42