#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4a s SER 2 N 0.00 -0.63 0.14 1.61 0.15 -1.26 -5.17 113.70 108.54 1x4a s SER 2 Ca 0.00 -0.10 -0.25 0.00 0.70 0.00 0.00 55.95 56.30 1x4a s SER 2 Cb 0.00 1.12 0.07 0.00 -1.71 0.00 0.00 66.02 65.49 1x4a s SER 2 CO 0.00 -0.09 0.90 -0.94 1.20 0.00 0.00 173.24 174.31 1x4a s SER 3 N 2.47 -0.24 0.00 5.45 1.04 -1.26 -5.18 113.70 115.98 1x4a s SER 3 Ca 0.20 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1x4a s SER 3 Cb -0.01 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1x4a s SER 3 CO -0.19 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.74 1x4a n GLY 4 N -0.42 2.87 0.00 7.32 0.00 -1.26 -5.19 105.19 108.51 1x4a n GLY 4 Ca -0.07 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1x4a n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4a n SER 5 N 0.00 0.00 -3.71 1.61 7.64 -1.26 -5.19 113.62 112.71 1x4a n SER 5 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1x4a n SER 5 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1x4a n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4a s SER 6 N 0.00 -0.14 0.00 6.43 0.15 -1.26 -5.19 113.70 113.69 1x4a s SER 6 Ca 0.00 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1x4a s SER 6 Cb 0.00 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1x4a s SER 6 CO 0.00 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1x4a n GLY 7 N -0.48 1.46 2.78 9.45 0.00 -1.26 -5.16 105.19 111.98 1x4a n GLY 7 Ca -0.07 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.01 1x4a n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x4a s MET 8 N -0.25 0.21 0.04 1.61 1.00 -1.26 -5.14 119.30 115.52 1x4a s MET 8 Ca 0.00 0.15 -0.28 0.00 0.00 0.00 0.00 55.69 55.55 1x4a s MET 8 Cb 0.00 -0.50 0.10 0.00 0.00 0.00 0.00 34.83 34.43 1x4a s MET 8 CO 0.00 -0.19 1.15 -1.12 0.00 0.00 0.00 175.02 174.86 1x4a s SER 9 N 1.32 -0.11 0.00 3.03 0.01 -1.26 -5.11 113.70 111.58 1x4a s SER 9 Ca -0.06 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1x4a s SER 9 Cb -0.13 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1x4a s SER 9 CO -0.03 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.70 1x4a n GLY 10 N -0.46 -0.46 0.00 3.44 0.00 -1.26 -5.01 105.19 101.44 1x4a n GLY 10 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1x4a n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4a n GLY 11 N 0.00 3.23 0.00 -0.02 0.00 -1.26 -5.07 105.19 102.07 1x4a n GLY 11 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1x4a n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4a n GLY 12 N 0.00 0.93 2.65 -0.02 0.00 -1.26 -5.06 105.19 102.43 1x4a n GLY 12 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1x4a n GLY 12 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x4a n VAL 13 N 0.00 0.93 -0.03 1.61 0.24 -1.26 -4.94 118.33 114.88 1x4a n VAL 13 Ca 0.00 -3.06 -0.08 0.00 -2.04 0.00 0.00 64.34 59.15 1x4a n VAL 13 Cb 0.00 0.65 -0.02 0.00 -1.47 0.00 0.00 33.84 33.00 1x4a n VAL 13 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 1x4a h ILE 14 N 2.91 0.52 0.00 1.34 2.10 -2.06 -3.46 117.51 118.86 1x4a h ILE 14 Ca -0.10 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.84 1x4a h ILE 14 Cb 1.18 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 37.43 1x4a h ILE 14 CO 0.49 0.00 0.00 -2.11 -1.08 0.00 0.00 178.15 175.45 1x4a n ARG 15 N -5.33 0.00 -3.58 2.19 1.85 -1.26 -5.19 116.66 105.34 1x4a n ARG 15 Ca -0.02 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.70 1x4a n ARG 15 Cb 0.24 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.59 1x4a n ARG 15 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1x4a s GLY 16 N 0.00 -0.37 -0.07 2.89 0.00 -1.26 -5.08 107.32 103.44 1x4a s GLY 16 Ca 0.00 1.96 -0.14 0.00 0.00 0.00 0.00 44.72 46.54 1x4a s GLY 16 CO 0.00 1.27 0.55 -0.56 0.00 0.00 0.00 173.10 174.35 1x4a h PRO 17 N 3.33 -0.25 -2.07 2.90 0.13 -2.03 -3.50 132.00 130.52 1x4a h PRO 17 Ca -0.24 0.02 0.27 0.00 -0.87 0.00 0.00 66.00 65.17 1x4a h PRO 17 Cb 1.16 0.06 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 1x4a h PRO 17 CO 0.26 0.02 0.75 0.00 -0.23 0.00 0.00 178.00 178.79 1x4a s ALA 18 N -3.36 -2.07 -0.93 -0.56 0.00 -1.26 -5.09 121.76 108.49 1x4a s ALA 18 Ca -0.08 0.13 -0.21 0.00 0.00 0.00 0.00 51.96 51.79 1x4a s ALA 18 Cb 0.00 0.68 0.09 0.00 0.00 0.00 0.00 23.12 23.89 1x4a s ALA 18 CO 0.28 -1.09 1.25 0.20 0.00 0.00 0.00 175.76 176.40 1x4a s GLY 19 N -3.36 1.56 0.05 0.00 0.00 -1.26 -4.95 107.32 99.36 1x4a s GLY 19 Ca 0.21 -2.41 -0.00 0.00 0.00 0.00 0.00 44.72 42.52 1x4a s GLY 19 CO 0.00 2.32 -0.04 0.21 0.00 0.00 0.00 173.10 175.59 1x4a s ASN 20 N 4.17 0.59 0.52 1.64 2.47 -1.26 -4.92 114.94 118.15 1x4a s ASN 20 Ca 0.37 -0.92 0.00 0.00 0.42 0.00 0.00 52.86 52.73 1x4a s ASN 20 Cb -0.04 0.16 0.00 0.00 -1.45 0.00 0.00 41.25 39.92 1x4a s ASN 20 CO -0.07 -0.52 0.00 0.59 -3.72 0.00 0.00 177.10 173.38 1x4a n ASN 21 N 0.32 -8.06 -2.31 -4.21 3.02 -1.26 -4.98 115.26 97.78 1x4a n ASN 21 Ca -0.15 1.41 -0.01 0.00 -0.03 0.00 0.00 54.58 55.80 1x4a n ASN 21 Cb 0.60 -4.56 -0.01 0.00 -0.61 0.00 0.00 39.78 35.20 1x4a n ASN 21 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1x4a n ASP 22 N -1.58 -7.74 -0.74 6.41 -0.08 -1.26 -4.94 116.55 106.63 1x4a n ASP 22 Ca 0.00 1.68 0.06 0.00 -1.51 0.00 0.00 54.79 55.02 1x4a n ASP 22 Cb 0.19 -4.99 0.18 0.00 2.34 0.00 0.00 41.12 38.84 1x4a n ASP 22 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x4a s ARG 24 N -2.76 2.72 -0.14 0.00 1.70 -1.26 -2.10 118.95 117.11 1x4a s ARG 24 Ca 0.37 -0.73 -0.12 0.00 -0.47 0.00 0.00 55.73 54.78 1x4a s ARG 24 Cb 0.37 -2.32 -0.05 0.00 -0.57 0.00 0.00 34.95 32.38 1x4a s ARG 24 CO -0.08 -0.14 0.25 0.96 -1.08 0.00 0.00 175.30 175.20 1x4a s ILE 25 N 1.17 5.33 -0.09 4.99 -4.36 0.21 -4.45 121.20 123.99 1x4a s ILE 25 Ca 0.00 0.46 -0.13 0.00 -0.26 0.00 0.00 60.65 60.72 1x4a s ILE 25 Cb -0.14 -3.58 -0.05 0.00 1.25 0.00 0.00 42.46 39.95 1x4a s ILE 25 CO -0.08 0.45 0.32 -0.47 0.24 0.00 0.00 174.94 175.40 1x4a s TYR 26 N 0.06 3.58 -0.05 1.37 6.14 -1.01 0.12 117.35 127.56 1x4a s TYR 26 Ca 0.15 0.74 0.04 0.00 0.64 0.00 0.00 57.07 58.65 1x4a s TYR 26 Cb -0.13 -2.27 -0.02 0.00 0.42 0.00 0.00 41.96 39.96 1x4a s TYR 26 CO 0.04 0.47 -0.15 0.08 0.64 0.00 0.00 175.55 176.62 1x4a s VAL 27 N -0.33 2.96 0.22 3.14 1.01 -0.46 -1.34 120.40 125.59 1x4a s VAL 27 Ca 0.19 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.45 1x4a s VAL 27 Cb -0.14 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1x4a s VAL 27 CO 0.08 0.59 0.15 0.61 0.00 0.00 0.00 175.10 176.52 1x4a n GLY 28 N 2.38 3.41 2.39 4.51 0.00 0.13 -2.64 105.19 115.37 1x4a n GLY 28 Ca -0.17 -1.87 -0.17 0.00 0.00 0.00 0.00 46.02 43.80 1x4a n GLY 28 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x4a n ASN 29 N -2.06 -4.90 -4.82 1.61 2.85 -1.26 -0.13 115.26 106.56 1x4a n ASN 29 Ca 0.02 0.17 -0.31 0.00 -0.11 0.00 0.00 54.58 54.35 1x4a n ASN 29 Cb 0.37 -4.18 0.04 0.00 1.24 0.00 0.00 39.78 37.25 1x4a n ASN 29 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1x4a s LEU 30 N -5.42 3.24 0.83 1.20 1.43 -1.24 -4.17 118.68 114.56 1x4a s LEU 30 Ca 0.00 1.67 -0.12 0.00 -1.03 0.00 0.00 54.13 54.65 1x4a s LEU 30 Cb 0.00 -4.51 0.09 0.00 0.03 0.00 0.00 46.19 41.81 1x4a s LEU 30 CO 0.00 -1.35 1.11 -2.16 0.23 0.00 0.00 176.35 174.18 1x4a s PRO 31 N -4.77 1.78 0.23 1.29 0.04 -1.26 -4.28 135.00 128.03 1x4a s PRO 31 Ca 0.59 0.53 0.10 0.00 0.04 0.00 0.00 61.00 62.26 1x4a s PRO 31 Cb -0.14 -1.89 0.18 0.00 0.04 0.00 0.00 34.50 32.69 1x4a s PRO 31 CO 0.50 -1.81 1.51 -1.00 0.04 0.00 0.00 177.00 176.24 1x4a h PRO 32 N -1.22 0.00 -1.76 0.56 0.13 -1.98 -3.21 132.00 124.51 1x4a h PRO 32 Ca -0.48 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.93 1x4a h PRO 32 Cb 1.29 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.11 1x4a h PRO 32 CO 0.60 0.73 0.61 -3.47 -0.23 0.00 0.00 178.00 176.24 1x4a n ASP 33 N -3.63 6.87 -4.92 1.44 2.03 -1.26 -4.99 116.55 112.08 1x4a n ASP 33 Ca -0.01 -3.81 -0.27 0.00 0.52 0.00 0.00 54.79 51.22 1x4a n ASP 33 Cb 0.72 -0.91 -0.03 0.00 -0.72 0.00 0.00 41.12 40.18 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 -5.14 5.11 0.03 5.18 1.10 -1.22 -5.11 121.20 121.15 1x4a s ILE 34 Ca 0.52 -0.18 0.05 0.00 -0.51 0.00 0.00 60.65 60.53 1x4a s ILE 34 Cb 0.44 -3.75 -0.02 0.00 0.15 0.00 0.00 42.46 39.28 1x4a s ILE 34 CO -0.32 -0.29 -0.15 -0.13 -2.11 0.00 0.00 174.94 171.94 1x4a s ARG 35 N -3.56 1.07 0.58 3.50 1.81 -1.26 -5.01 118.95 116.07 1x4a s ARG 35 Ca 0.41 -0.72 0.27 0.00 -1.72 0.00 0.00 55.73 53.97 1x4a s ARG 35 Cb -0.11 -1.08 1.60 0.00 -0.45 0.00 0.00 34.95 34.91 1x4a s ARG 35 CO 0.30 0.28 2.10 1.15 -0.68 0.00 0.00 175.30 178.45 1x4a h THR 36 N 4.55 0.56 0.10 0.02 2.02 -1.98 -0.30 112.91 117.88 1x4a h THR 36 Ca -0.38 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1x4a h THR 36 Cb 1.17 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1x4a h THR 36 CO 0.45 0.00 -0.05 0.50 0.37 0.00 0.00 175.52 176.79 1x4a h LYS 37 N 0.00 -0.13 -0.78 6.66 1.63 -1.98 -2.09 116.57 119.89 1x4a h LYS 37 Ca 0.09 0.01 0.18 0.00 -0.85 0.00 0.00 60.65 60.08 1x4a h LYS 37 Cb 0.48 0.03 -0.12 0.00 -0.60 0.00 0.00 32.23 32.02 1x4a h LYS 37 CO -0.00 0.20 0.17 -0.44 -3.45 0.00 0.00 179.45 175.93 1x4a h ASP 38 N -0.99 -0.04 0.38 4.20 3.32 -1.81 1.63 116.42 123.11 1x4a h ASP 38 Ca -0.01 0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 1x4a h ASP 38 Cb 0.39 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1x4a h ASP 38 CO 0.02 -0.08 -0.27 0.40 -1.72 0.00 0.00 179.24 177.59 1x4a h ILE 39 N 0.23 1.02 0.08 0.35 2.04 -1.16 -2.08 117.51 118.00 1x4a h ILE 39 Ca 0.45 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 1x4a h ILE 39 Cb 0.81 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1x4a h ILE 39 CO -0.57 0.26 -0.04 -0.08 0.00 0.00 0.00 178.15 177.73 1x4a h GLU 40 N 0.00 -0.10 -1.34 2.37 4.81 0.28 -3.12 114.58 117.49 1x4a h GLU 40 Ca -0.00 0.01 0.39 0.00 -0.13 0.00 0.00 59.36 59.62 1x4a h GLU 40 Cb 0.53 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.88 1x4a h GLU 40 CO 0.03 -0.07 1.08 -0.44 -0.73 0.00 0.00 179.01 178.89 1x4a h ASP 41 N -0.27 0.00 0.82 1.04 3.32 -0.02 1.40 116.42 122.73 1x4a h ASP 41 Ca -0.01 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1x4a h ASP 41 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1x4a h ASP 41 CO 0.02 0.00 -0.43 0.58 -1.72 0.00 0.00 179.24 177.69 1x4a h VAL 42 N 0.00 0.00 0.00 -1.35 2.07 -1.39 -2.97 116.25 112.61 1x4a h VAL 42 Ca 0.64 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.14 1x4a h VAL 42 Cb 2.79 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1x4a h VAL 42 CO -0.01 0.00 -0.08 -0.26 0.02 0.00 0.00 177.57 177.25 1x4a h PHE 43 N -1.15 0.00 0.00 1.57 0.04 -0.26 -3.16 116.94 113.98 1x4a h PHE 43 Ca -0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1x4a h PHE 43 Cb 0.90 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.05 1x4a h PHE 43 CO -0.01 0.08 0.14 -0.92 -0.60 0.00 0.00 178.31 176.99 1x4a h TYR 44 N 0.00 0.00 0.00 -0.55 3.20 0.18 0.61 116.97 120.41 1x4a h TYR 44 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1x4a h TYR 44 Cb 0.97 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.24 1x4a h TYR 44 CO 0.00 0.00 0.00 1.57 -1.64 0.00 0.00 178.16 178.09 1x4a h LYS 45 N 0.00 0.00 0.00 1.82 2.10 -1.50 -3.31 116.57 115.67 1x4a h LYS 45 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1x4a h LYS 45 Cb 0.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 1x4a h LYS 45 CO 0.00 0.00 -0.79 0.66 -2.00 0.00 0.00 179.45 177.32 1x4a n TYR 46 N -2.62 0.39 -1.23 0.07 4.02 0.21 -5.10 117.16 112.91 1x4a n TYR 46 Ca 0.02 0.17 0.00 0.00 -0.01 0.00 0.00 57.90 58.09 1x4a n TYR 46 Cb 0.32 -0.61 0.00 0.00 -0.02 0.00 0.00 39.34 39.03 1x4a n TYR 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x4a n GLY 47 N 1.53 5.14 3.47 2.72 0.00 -1.11 -5.09 105.19 111.84 1x4a n GLY 47 Ca -0.11 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.81 2.63 -0.10 4.61 0.00 -1.26 -4.29 121.76 121.53 1x4a s ALA 48 Ca 0.00 -1.16 -0.09 0.00 0.00 0.00 0.00 51.96 50.72 1x4a s ALA 48 Cb 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1x4a s ALA 48 CO 0.00 0.57 0.19 0.42 0.00 0.00 0.00 175.76 176.94 1x4a s ILE 49 N -0.91 5.42 -0.08 0.00 1.01 -1.26 -3.26 121.20 122.12 1x4a s ILE 49 Ca 0.14 0.32 0.10 0.00 0.00 0.00 0.00 60.65 61.22 1x4a s ILE 49 Cb -0.11 -3.46 -0.24 0.00 0.01 0.00 0.00 42.46 38.67 1x4a s ILE 49 CO 0.05 0.60 0.51 -1.14 0.00 0.00 0.00 174.94 174.97 1x4a n ARG 50 N 2.04 0.66 -3.61 2.79 0.63 0.06 -4.91 116.66 114.33 1x4a n ARG 50 Ca -0.19 0.25 -0.04 0.00 -0.92 0.00 0.00 57.85 56.95 1x4a n ARG 50 Cb 0.54 -1.74 -0.03 0.00 0.45 0.00 0.00 32.46 31.68 1x4a n ARG 50 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1x4a s ASP 51 N -6.17 -0.13 -0.24 6.15 2.15 -1.25 -5.02 116.67 112.16 1x4a s ASP 51 Ca -0.09 0.08 -0.01 0.00 0.43 0.00 0.00 52.55 52.96 1x4a s ASP 51 Cb 0.08 0.13 0.07 0.00 -0.30 0.00 0.00 42.92 42.89 1x4a s ASP 51 CO 0.81 -0.18 0.03 -0.63 -0.17 0.00 0.00 175.17 175.04 1x4a s ILE 52 N -1.75 0.92 -0.46 4.11 1.01 -1.26 -1.22 121.20 122.56 1x4a s ILE 52 Ca 0.08 -1.02 -0.21 0.00 0.00 0.00 0.00 60.65 59.50 1x4a s ILE 52 Cb -0.01 -1.45 0.03 0.00 0.01 0.00 0.00 42.46 41.04 1x4a s ILE 52 CO -0.05 -0.33 0.69 -1.81 0.00 0.00 0.00 174.94 173.45 1x4a s ASP 53 N 1.65 6.33 -0.18 3.58 1.01 -0.38 -4.89 116.67 123.80 1x4a s ASP 53 Ca 0.01 -0.36 -0.03 0.00 0.71 0.00 0.00 52.55 52.89 1x4a s ASP 53 Cb -0.18 -2.34 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 1x4a s ASP 53 CO -0.13 -0.86 -0.07 -0.22 0.21 0.00 0.00 175.17 174.11 1x4a s LEU 54 N 2.98 2.91 -1.35 1.23 2.96 -1.26 0.15 118.68 126.30 1x4a s LEU 54 Ca 0.24 -0.31 -0.10 0.00 -0.22 0.00 0.00 54.13 53.74 1x4a s LEU 54 Cb -0.14 -1.71 0.11 0.00 0.50 0.00 0.00 46.19 44.96 1x4a s LEU 54 CO 0.19 0.08 2.12 0.29 -1.32 0.00 0.00 176.35 177.72 1x4a n LYS 55 N 4.11 3.65 -1.84 1.98 5.02 -0.43 -4.93 118.16 125.71 1x4a n LYS 55 Ca -0.18 -3.22 -0.38 0.00 -2.02 0.00 0.00 58.31 52.50 1x4a n LYS 55 Cb 0.52 -2.94 -0.03 0.00 -0.02 0.00 0.00 35.03 32.56 1x4a n LYS 55 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1x4a s ASN 56 N 1.33 5.03 0.00 4.39 2.47 -1.26 -4.63 114.94 122.27 1x4a s ASN 56 Ca 0.46 0.79 0.00 0.00 0.42 0.00 0.00 52.86 54.53 1x4a s ASN 56 Cb 0.13 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 1x4a s ASN 56 CO -0.04 -2.48 0.00 -1.14 -3.72 0.00 0.00 177.10 169.73 1x4a n ARG 57 N 9.02 0.00 -1.28 0.43 3.00 -1.26 -5.15 116.66 121.42 1x4a n ARG 57 Ca 0.27 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.75 1x4a n ARG 57 Cb 0.52 0.00 0.05 0.00 0.00 0.00 0.00 32.46 33.03 1x4a n ARG 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1x4a n ARG 58 N -0.11 0.24 0.00 -0.14 3.00 -1.26 -4.84 116.66 113.55 1x4a n ARG 58 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 57.85 57.95 1x4a n ARG 58 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 32.46 30.94 1x4a n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x4a n GLY 59 N 2.07 1.21 7.00 -0.13 0.00 -1.26 -5.09 105.19 108.98 1x4a n GLY 59 Ca 0.09 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 0.84 3.82 -0.02 0.00 -1.26 -4.77 105.19 103.80 1x4a n GLY 60 Ca 0.00 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 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 2.85 -0.05 1.61 0.04 -1.26 -4.99 135.00 133.20 1x4a s PRO 61 Ca 0.00 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 61.66 1x4a s PRO 61 Cb 0.00 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1x4a s PRO 61 CO 0.00 -1.15 1.22 -1.25 0.04 0.00 0.00 177.00 175.86 1x4a s PRO 62 N -5.06 4.35 0.19 0.56 0.04 -1.26 -4.94 135.00 128.88 1x4a s PRO 62 Ca 0.58 1.70 0.10 0.00 0.04 0.00 0.00 61.00 63.42 1x4a s PRO 62 Cb -0.14 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 1x4a s PRO 62 CO 0.55 -0.46 -0.21 -0.59 0.04 0.00 0.00 177.00 176.34 1x4a s PHE 63 N 2.21 2.06 0.23 0.56 -0.71 -1.26 -3.67 117.98 117.41 1x4a s PHE 63 Ca 0.57 -0.41 -0.18 0.00 -1.04 0.00 0.00 56.93 55.86 1x4a s PHE 63 Cb -0.25 -1.01 0.02 0.00 -1.21 0.00 0.00 43.02 40.57 1x4a s PHE 63 CO 0.22 0.44 0.59 0.00 -1.34 0.00 0.00 175.22 175.14 1x4a s ALA 64 N -1.97 -0.96 -0.22 1.99 0.00 -1.08 -1.32 121.76 118.20 1x4a s ALA 64 Ca 0.19 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1x4a s ALA 64 Cb -0.06 0.90 0.05 0.00 0.00 0.00 0.00 23.12 24.01 1x4a s ALA 64 CO 0.09 -0.90 -0.08 -0.06 0.00 0.00 0.00 175.76 174.81 1x4a s PHE 65 N -3.91 2.52 -0.07 0.00 0.40 0.39 -1.36 117.98 115.95 1x4a s PHE 65 Ca 0.12 -1.76 -0.19 0.00 -0.60 0.00 0.00 56.93 54.50 1x4a s PHE 65 Cb -0.03 -1.65 -0.05 0.00 0.51 0.00 0.00 43.02 41.81 1x4a s PHE 65 CO 0.02 -0.77 0.52 0.08 0.70 0.00 0.00 175.22 175.77 1x4a s VAL 66 N 1.36 5.08 -0.09 -0.44 1.01 0.12 -1.24 120.40 126.19 1x4a s VAL 66 Ca -0.04 1.07 -0.01 0.00 0.00 0.00 0.00 61.98 63.00 1x4a s VAL 66 Cb -0.18 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1x4a s VAL 66 CO -0.07 0.37 -0.04 -0.70 0.00 0.00 0.00 175.10 174.66 1x4a s GLU 67 N 0.23 2.97 0.04 2.72 2.12 -0.35 0.64 118.70 127.07 1x4a s GLU 67 Ca 0.28 -0.50 0.04 0.00 0.36 0.00 0.00 54.97 55.15 1x4a s GLU 67 Cb -0.16 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 1x4a s GLU 67 CO 0.13 0.60 -0.05 -0.06 -0.54 0.00 0.00 175.26 175.35 1x4a s PHE 68 N -0.63 2.91 0.13 5.30 0.08 -0.89 -0.76 117.98 124.12 1x4a s PHE 68 Ca 0.10 -0.04 -0.19 0.00 0.12 0.00 0.00 56.93 56.92 1x4a s PHE 68 Cb -0.12 -1.56 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 1x4a s PHE 68 CO 0.02 0.42 1.78 0.93 -0.10 0.00 0.00 175.22 178.27 1x4a h GLU 69 N 4.04 0.35 -6.29 0.44 4.39 -1.88 -3.44 114.58 112.20 1x4a h GLU 69 Ca -0.48 -0.02 -0.58 0.00 0.34 0.00 0.00 59.36 58.61 1x4a h GLU 69 Cb 1.17 -0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.64 1x4a h GLU 69 CO 0.55 0.24 -0.64 -0.51 -1.16 0.00 0.00 179.01 177.50 1x4a s ASP 70 N -5.45 4.81 -0.08 1.42 1.01 -1.26 -5.05 116.67 112.06 1x4a s ASP 70 Ca -0.13 -0.43 -0.27 0.00 0.71 0.00 0.00 52.55 52.43 1x4a s ASP 70 Cb 0.09 -1.03 -0.23 0.00 1.01 0.00 0.00 42.92 42.76 1x4a s ASP 70 CO 0.70 0.06 1.02 1.55 0.21 0.00 0.00 175.17 178.71 1x4a h PRO 71 N 2.42 0.01 -0.81 8.23 0.13 -1.93 -2.44 132.00 137.60 1x4a h PRO 71 Ca -0.47 -0.01 0.12 0.00 -0.87 0.00 0.00 66.00 64.77 1x4a h PRO 71 Cb 1.22 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 1x4a h PRO 71 CO 0.59 0.76 -0.40 0.00 -0.23 0.00 0.00 178.00 178.72 1x4a h ARG 72 N -0.73 -0.08 0.14 0.86 3.08 -1.97 0.17 114.38 115.84 1x4a h ARG 72 Ca -0.00 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1x4a h ARG 72 Cb 0.76 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1x4a h ARG 72 CO 0.00 -0.06 -0.07 -0.44 -1.07 0.00 0.00 179.97 178.34 1x4a h ASP 73 N -0.09 -0.16 -1.04 7.04 3.32 -1.99 -0.12 116.42 123.39 1x4a h ASP 73 Ca 0.27 -0.07 0.41 0.00 0.02 0.00 0.00 57.03 57.66 1x4a h ASP 73 Cb 0.56 0.04 -0.17 0.00 0.22 0.00 0.00 39.33 39.98 1x4a h ASP 73 CO -0.85 -0.03 0.58 0.00 -1.72 0.00 0.00 179.24 177.22 1x4a h ALA 74 N 0.59 2.20 0.14 3.45 0.00 -0.27 0.47 119.26 125.83 1x4a h ALA 74 Ca -0.02 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1x4a h ALA 74 Cb 0.21 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1x4a h ALA 74 CO 0.03 -0.94 -0.07 0.93 0.00 0.00 0.00 179.25 179.20 1x4a h GLU 75 N 0.06 -0.18 -1.93 0.00 5.08 -0.22 -2.34 114.58 115.04 1x4a h GLU 75 Ca 0.83 0.01 0.56 0.00 -1.00 0.00 0.00 59.36 59.77 1x4a h GLU 75 Cb 2.20 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 31.41 1x4a h GLU 75 CO -0.71 -0.12 1.39 -0.44 -1.00 0.00 0.00 179.01 178.13 1x4a h ASP 76 N -0.81 0.01 0.08 1.42 3.32 0.83 0.80 116.42 122.07 1x4a h ASP 76 Ca -0.02 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1x4a h ASP 76 Cb 0.15 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1x4a h ASP 76 CO 0.03 -0.01 -0.04 0.00 -1.72 0.00 0.00 179.24 177.51 1x4a h ALA 77 N 1.05 -0.27 -1.21 3.45 0.00 -0.19 1.18 119.26 123.26 1x4a h ALA 77 Ca 0.93 -0.02 0.35 0.00 0.00 0.00 0.00 54.91 56.16 1x4a h ALA 77 Cb 3.70 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 21.44 1x4a h ALA 77 CO -0.03 -0.27 0.82 -0.24 0.00 0.00 0.00 179.25 179.53 1x4a h VAL 78 N -0.33 0.36 0.05 0.00 3.04 -0.04 1.02 116.25 120.36 1x4a h VAL 78 Ca -0.01 -0.06 -0.28 0.00 -1.01 0.00 0.00 66.70 65.34 1x4a h VAL 78 Cb 0.08 0.18 -0.03 0.00 -2.01 0.00 0.00 31.29 29.51 1x4a h VAL 78 CO 0.02 0.03 -1.46 1.88 -1.01 0.00 0.00 177.57 177.02 1x4a h TYR 79 N 0.17 0.20 0.29 3.17 0.05 0.39 -3.29 116.97 117.96 1x4a h TYR 79 Ca 0.66 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 59.28 1x4a h TYR 79 Cb 2.14 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.88 1x4a h TYR 79 CO -0.00 1.18 -0.14 0.78 -1.05 0.00 0.00 178.16 178.93 1x4a h GLY 80 N 2.54 -0.41 0.00 3.88 0.00 0.93 -3.42 103.07 106.59 1x4a h GLY 80 Ca -0.20 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1x4a h GLY 80 CO 0.13 -0.15 0.00 0.54 0.00 0.00 0.00 176.54 177.06 1x4a n ARG 81 N -3.44 0.00 -3.13 4.80 5.12 0.69 -4.95 116.66 115.74 1x4a n ARG 81 Ca -0.05 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.87 1x4a n ARG 81 Cb 0.16 -0.08 -0.00 0.00 -1.16 0.00 0.00 32.46 31.38 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 0.00 -6.81 -0.15 0.55 2.03 -1.24 -4.24 116.55 106.69 1x4a n ASP 82 Ca 0.00 0.61 0.00 0.00 0.52 0.00 0.00 54.79 55.92 1x4a n ASP 82 Cb 0.00 -1.79 0.00 0.00 -0.72 0.00 0.00 41.12 38.61 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 1.60 1.08 3.76 0.27 0.00 -0.45 -4.86 105.19 106.59 1x4a n GLY 83 Ca -0.01 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.30 3.92 -0.42 1.61 5.04 -1.24 -4.73 117.35 119.24 1x4a s TYR 84 Ca 0.00 1.84 -0.24 0.00 -2.44 0.00 0.00 57.07 56.24 1x4a s TYR 84 Cb 0.00 -2.93 0.02 0.00 0.35 0.00 0.00 41.96 39.40 1x4a s TYR 84 CO 0.00 0.43 0.82 0.34 -1.34 0.00 0.00 175.55 175.80 1x4a s ASP 85 N -1.25 6.49 -0.60 4.32 2.15 -1.26 -1.94 116.67 124.57 1x4a s ASP 85 Ca 0.42 0.12 -0.03 0.00 0.43 0.00 0.00 52.55 53.49 1x4a s ASP 85 Cb -0.24 -2.41 0.15 0.00 -0.30 0.00 0.00 42.92 40.13 1x4a s ASP 85 CO 0.30 -0.88 0.41 -0.47 -0.17 0.00 0.00 175.17 174.36 1x4a s TYR 86 N 3.33 3.44 -1.84 -5.34 6.14 0.17 -4.60 117.35 118.64 1x4a s TYR 86 Ca 0.32 -2.66 0.00 0.00 0.64 0.00 0.00 57.07 55.38 1x4a s TYR 86 Cb -0.12 -3.22 0.00 0.00 0.42 0.00 0.00 41.96 39.04 1x4a s TYR 86 CO 0.21 -0.86 0.00 -3.47 0.64 0.00 0.00 175.55 172.07 1x4a n ASP 87 N 3.66 -5.14 0.00 4.32 -0.08 -1.26 -0.81 116.55 117.23 1x4a n ASP 87 Ca 0.06 0.39 0.00 0.00 -1.51 0.00 0.00 54.79 53.73 1x4a n ASP 87 Cb 0.38 -4.20 0.00 0.00 2.34 0.00 0.00 41.12 39.64 1x4a n ASP 87 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x4a n GLY 88 N -0.82 2.67 3.64 0.27 0.00 -1.26 -5.05 105.19 104.64 1x4a n GLY 88 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.50 3.17 0.21 1.61 2.02 0.01 -5.00 117.35 116.86 1x4a s TYR 89 Ca 0.00 1.25 -0.30 0.00 -0.37 0.00 0.00 57.07 57.65 1x4a s TYR 89 Cb 0.00 -3.59 -0.08 0.00 -0.40 0.00 0.00 41.96 37.89 1x4a s TYR 89 CO 0.00 -0.76 1.05 1.03 -1.57 0.00 0.00 175.55 175.30 1x4a s ARG 90 N 3.56 4.67 0.13 -0.62 0.52 -1.26 -0.65 118.95 125.29 1x4a s ARG 90 Ca 0.46 1.66 0.06 0.00 -0.52 0.00 0.00 55.73 57.39 1x4a s ARG 90 Cb -0.13 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 1x4a s ARG 90 CO 0.13 0.22 -0.02 -0.51 0.02 0.00 0.00 175.30 175.14 1x4a s LEU 91 N -0.74 3.31 -0.31 2.53 1.43 -0.82 -4.33 118.68 119.75 1x4a s LEU 91 Ca 0.46 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 1x4a s LEU 91 Cb -0.28 -2.03 0.08 0.00 0.03 0.00 0.00 46.19 43.99 1x4a s LEU 91 CO 0.35 0.14 -0.01 -0.13 0.23 0.00 0.00 176.35 176.94 1x4a s ARG 92 N -2.52 1.92 -0.26 1.70 1.81 0.81 -1.34 118.95 121.07 1x4a s ARG 92 Ca 0.25 -1.60 -0.09 0.00 -1.72 0.00 0.00 55.73 52.58 1x4a s ARG 92 Cb -0.11 -3.11 -0.04 0.00 -0.45 0.00 0.00 34.95 31.25 1x4a s ARG 92 CO 0.17 -0.77 0.12 0.08 -0.68 0.00 0.00 175.30 174.22 1x4a s VAL 93 N 1.04 4.71 -0.10 3.52 1.01 -1.26 0.21 120.40 129.52 1x4a s VAL 93 Ca 0.01 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 1x4a s VAL 93 Cb -0.20 -3.22 0.07 0.00 0.00 0.00 0.00 36.38 33.03 1x4a s VAL 93 CO -0.06 0.31 0.69 -1.83 0.00 0.00 0.00 175.10 174.21 1x4a s GLU 94 N 1.65 1.00 0.52 2.72 -1.05 -0.45 -4.60 118.70 118.49 1x4a s GLU 94 Ca 0.07 0.44 -0.21 0.00 -0.15 0.00 0.00 54.97 55.11 1x4a s GLU 94 Cb -0.15 0.48 -0.06 0.00 -0.44 0.00 0.00 34.13 33.96 1x4a s GLU 94 CO 0.06 -0.27 1.20 -0.06 0.95 0.00 0.00 175.26 177.15 1x4a s PHE 95 N -0.81 2.61 -1.16 4.83 0.08 -1.26 -2.41 117.98 119.86 1x4a s PHE 95 Ca -0.08 1.50 -0.19 0.00 0.12 0.00 0.00 56.93 58.28 1x4a s PHE 95 Cb -0.01 -3.47 -0.04 0.00 -0.57 0.00 0.00 43.02 38.93 1x4a s PHE 95 CO 0.08 -1.95 1.97 -0.35 -0.10 0.00 0.00 175.22 174.87 1x4a n PRO 96 N -1.00 2.27 0.00 0.24 -0.04 -1.26 -4.76 135.00 130.45 1x4a n PRO 96 Ca 0.10 -2.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.06 1x4a n PRO 96 Cb 0.48 -3.32 0.00 0.00 -0.04 0.00 0.00 33.50 30.63 1x4a n PRO 96 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x4a n ARG 97 N 7.33 0.00 -1.93 0.54 1.74 -1.26 -4.74 116.66 118.34 1x4a n ARG 97 Ca 0.49 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.57 1x4a n ARG 97 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 1x4a n ARG 97 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1x4a n SER 98 N 1.53 -4.08 0.00 0.55 7.64 -1.26 -5.00 113.62 113.00 1x4a n SER 98 Ca 0.00 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1x4a n SER 98 Cb 0.00 -2.50 0.00 0.00 -1.01 0.00 0.00 64.21 60.70 1x4a n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4a n GLY 99 N 0.08 0.39 0.09 0.23 0.00 -1.26 -4.97 105.19 99.76 1x4a n GLY 99 Ca 0.01 -1.34 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 1x4a n GLY 99 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1x4a h ARG 100 N 0.00 0.12 0.00 1.61 2.43 -2.00 -3.50 114.38 113.04 1x4a h ARG 100 Ca 0.00 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1x4a h ARG 100 Cb 0.00 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1x4a h ARG 100 CO 0.00 1.09 0.00 0.41 -1.51 0.00 0.00 179.97 179.96 1x4a n GLY 101 N 1.62 1.27 3.37 2.80 0.00 -1.26 -5.02 105.19 107.98 1x4a n GLY 101 Ca -0.15 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 1x4a n GLY 101 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x4a n THR 102 N 0.00 -3.32 -2.71 2.61 -1.04 -1.26 -4.98 114.28 103.58 1x4a n THR 102 Ca 0.00 0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 1x4a n THR 102 Cb 0.00 -3.29 0.00 0.00 -1.82 0.00 0.00 70.33 65.22 1x4a n THR 102 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x4a n GLY 103 N 0.16 5.65 3.62 3.41 0.00 -1.26 -5.19 105.19 111.58 1x4a n GLY 103 Ca -0.07 -1.48 -0.04 0.00 0.00 0.00 0.00 46.02 44.43 1x4a n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4a s SER 104 N 1.00 -0.13 0.04 1.61 0.01 -1.26 -5.19 113.70 109.78 1x4a s SER 104 Ca 0.00 0.11 -0.03 0.00 1.31 0.00 0.00 55.95 57.34 1x4a s SER 104 Cb 0.00 0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.33 1x4a s SER 104 CO 0.00 -0.15 0.03 -0.83 0.41 0.00 0.00 173.24 172.70 1x4a s GLY 105 N -1.39 0.27 0.72 3.44 0.00 -1.26 -5.16 107.32 103.95 1x4a s GLY 105 Ca 0.07 -0.74 -0.11 0.00 0.00 0.00 0.00 44.72 43.94 1x4a s GLY 105 CO -0.05 -0.85 1.07 2.56 0.00 0.00 0.00 173.10 175.83 1x4a s PRO 106 N -2.69 2.71 0.21 2.90 0.04 -1.26 -5.07 135.00 131.84 1x4a s PRO 106 Ca -0.04 0.88 0.05 0.00 0.04 0.00 0.00 61.00 61.92 1x4a s PRO 106 Cb -0.01 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1x4a s PRO 106 CO -0.05 -1.24 0.26 0.45 0.04 0.00 0.00 177.00 176.46 1x4a s SER 107 N -3.82 5.99 0.25 6.66 0.15 -1.26 -5.13 113.70 116.55 1x4a s SER 107 Ca 0.59 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 57.24 1x4a s SER 107 Cb -0.14 -1.69 -0.05 0.00 -1.71 0.00 0.00 66.02 62.43 1x4a s SER 107 CO 0.55 -0.01 0.05 -0.94 1.20 0.00 0.00 173.24 174.09 1x4a s SER 108 N -3.60 1.56 0.00 5.45 1.04 -1.26 -5.38 113.70 111.51 1x4a s SER 108 Ca 0.33 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1x4a s SER 108 Cb -0.09 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1x4a s SER 108 CO 0.27 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.47