#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 0.00 -1.33 1.61 2.88 -1.26 -5.17 113.62 110.36 1x4a n SER 2 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1x4a n SER 2 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1x4a n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4a n SER 3 N 0.00 -7.20 0.00 -3.46 2.88 -1.26 -5.05 113.62 99.53 1x4a n SER 3 Ca 0.00 1.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.93 1x4a n SER 3 Cb 0.00 -4.53 0.00 0.00 -0.75 0.00 0.00 64.21 58.93 1x4a n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4a n GLY 4 N -3.92 2.01 2.21 0.46 0.00 -1.26 -5.12 105.19 99.57 1x4a n GLY 4 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.82 -1.35 1.61 7.64 -1.26 -5.17 113.62 111.28 1x4a n SER 5 Ca 0.00 0.85 0.16 0.00 1.01 0.00 0.00 58.87 60.89 1x4a n SER 5 Cb 0.00 3.57 -0.07 0.00 -1.01 0.00 0.00 64.21 66.71 1x4a n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x4a n SER 6 N -3.42 -7.51 0.00 6.43 7.64 -1.26 -5.06 113.62 110.44 1x4a n SER 6 Ca 0.00 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.89 1x4a n SER 6 Cb 0.00 -4.41 0.00 0.00 -1.01 0.00 0.00 64.21 58.79 1x4a n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4a n GLY 7 N -4.08 2.89 3.45 0.23 0.00 -1.26 -5.19 105.19 101.24 1x4a n GLY 7 Ca -0.05 0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.03 1.07 -0.14 1.61 1.00 -1.26 -5.18 119.30 116.37 1x4a s MET 8 Ca 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 55.69 55.33 1x4a s MET 8 Cb 0.00 0.50 0.14 0.00 0.00 0.00 0.00 34.83 35.47 1x4a s MET 8 CO 0.00 -0.37 1.31 -1.54 0.00 0.00 0.00 175.02 174.42 1x4a s SER 9 N -1.67 -0.06 0.00 3.03 1.04 -1.26 -5.19 113.70 109.59 1x4a s SER 9 Ca -0.08 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1x4a s SER 9 Cb -0.01 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1x4a s SER 9 CO 0.03 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.68 1x4a n GLY 10 N -0.27 4.14 0.00 7.32 0.00 -1.26 -5.19 105.19 109.93 1x4a n GLY 10 Ca -0.03 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.58 2.40 0.00 -0.02 0.00 -1.26 -5.19 105.19 99.55 1x4a n GLY 11 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.80 0.65 3.58 -0.02 0.00 -1.26 -5.04 105.19 102.31 1x4a n GLY 12 Ca 0.00 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 1x4a n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x4a s VAL 13 N -3.40 3.70 -0.31 1.61 1.01 -1.26 -4.79 120.40 116.96 1x4a s VAL 13 Ca 0.00 0.63 0.15 0.00 0.00 0.00 0.00 61.98 62.76 1x4a s VAL 13 Cb 0.00 -4.16 0.44 0.00 0.00 0.00 0.00 36.38 32.66 1x4a s VAL 13 CO 0.00 -0.88 1.34 2.30 0.00 0.00 0.00 175.10 177.86 1x4a n ILE 14 N 7.07 1.94 -3.75 2.22 -5.35 -1.26 -5.01 119.36 115.22 1x4a n ILE 14 Ca 0.17 -1.72 -0.02 0.00 -0.27 0.00 0.00 62.75 60.90 1x4a n ILE 14 Cb 0.49 -0.08 -0.01 0.00 -1.74 0.00 0.00 39.64 38.30 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 -2.41 1.03 -0.23 6.28 1.70 -1.26 -4.79 118.95 119.27 1x4a s ARG 15 Ca 0.36 -0.59 -0.34 0.00 -0.47 0.00 0.00 55.73 54.68 1x4a s ARG 15 Cb 0.28 0.34 0.15 0.00 -0.57 0.00 0.00 34.95 35.15 1x4a s ARG 15 CO 0.09 -0.47 1.26 0.20 -1.08 0.00 0.00 175.30 175.29 1x4a s GLY 16 N -3.04 -0.20 1.08 3.88 0.00 -1.25 -4.93 107.32 102.85 1x4a s GLY 16 Ca 0.15 1.94 -0.17 0.00 0.00 0.00 0.00 44.72 46.63 1x4a s GLY 16 CO 0.01 0.71 1.22 2.56 0.00 0.00 0.00 173.10 177.60 1x4a s PRO 17 N -1.97 -0.24 0.41 2.90 0.04 -1.26 -4.33 135.00 130.55 1x4a s PRO 17 Ca 0.09 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1x4a s PRO 17 Cb -0.01 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1x4a s PRO 17 CO -0.04 -3.03 0.00 0.00 0.04 0.00 0.00 177.00 173.96 1x4a n ALA 18 N -4.24 -3.42 -3.54 8.56 0.00 -1.26 -4.78 120.51 111.83 1x4a n ALA 18 Ca 0.14 0.60 -0.13 0.00 0.00 0.00 0.00 53.44 54.05 1x4a n ALA 18 Cb 0.59 -1.29 -0.12 0.00 0.00 0.00 0.00 19.45 18.64 1x4a n ALA 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x4a s GLY 19 N -6.46 -0.17 0.12 0.00 0.00 -1.26 -4.65 107.32 94.89 1x4a s GLY 19 Ca 0.00 0.78 -0.05 0.00 0.00 0.00 0.00 44.72 45.45 1x4a s GLY 19 CO 0.00 2.23 0.13 0.21 0.00 0.00 0.00 173.10 175.66 1x4a s ASN 20 N 2.44 0.24 0.39 1.64 2.47 -1.26 -5.12 114.94 115.74 1x4a s ASN 20 Ca 0.05 -0.98 -0.23 0.00 0.42 0.00 0.00 52.86 52.13 1x4a s ASN 20 Cb -0.14 0.32 -0.11 0.00 -1.45 0.00 0.00 41.25 39.88 1x4a s ASN 20 CO -0.12 -0.75 0.95 0.20 -3.72 0.00 0.00 177.10 173.66 1x4a s ASN 21 N -2.97 7.08 -0.24 -4.21 -0.87 -1.26 -4.80 114.94 107.67 1x4a s ASN 21 Ca 0.16 1.74 -0.06 0.00 -1.57 0.00 0.00 52.86 53.12 1x4a s ASN 21 Cb 0.06 -2.55 0.12 0.00 -0.02 0.00 0.00 41.25 38.86 1x4a s ASN 21 CO -0.03 -0.26 0.48 1.51 -2.57 0.00 0.00 177.10 176.23 1x4a s ASP 22 N -1.99 -0.50 -0.22 -1.22 -4.77 -1.26 -5.01 116.67 101.71 1x4a s ASP 22 Ca 0.58 0.93 0.11 0.00 -3.30 0.00 0.00 52.55 50.87 1x4a s ASP 22 Cb -0.12 1.62 0.43 0.00 -1.09 0.00 0.00 42.92 43.76 1x4a s ASP 22 CO 0.17 -0.25 1.21 0.00 0.70 0.00 0.00 175.17 177.00 1x4a s ARG 24 N -3.14 3.27 0.26 0.00 1.70 -1.26 -1.24 118.95 118.54 1x4a s ARG 24 Ca 0.40 -0.69 0.08 0.00 -0.47 0.00 0.00 55.73 55.05 1x4a s ARG 24 Cb 0.38 -2.84 -0.04 0.00 -0.57 0.00 0.00 34.95 31.88 1x4a s ARG 24 CO -0.05 -0.15 0.14 0.96 -1.08 0.00 0.00 175.30 175.11 1x4a s ILE 25 N 1.30 4.08 -0.04 4.99 -4.36 0.22 -4.37 121.20 123.01 1x4a s ILE 25 Ca 0.04 -1.57 0.07 0.00 -0.26 0.00 0.00 60.65 58.93 1x4a s ILE 25 Cb -0.14 -3.22 -0.01 0.00 1.25 0.00 0.00 42.46 40.34 1x4a s ILE 25 CO -0.05 -0.35 -0.24 -0.47 0.24 0.00 0.00 174.94 174.08 1x4a s TYR 26 N -2.21 2.23 -0.13 1.37 6.14 -0.89 -0.24 117.35 123.63 1x4a s TYR 26 Ca 0.33 -0.55 0.02 0.00 0.64 0.00 0.00 57.07 57.50 1x4a s TYR 26 Cb -0.07 -1.45 -0.00 0.00 0.42 0.00 0.00 41.96 40.85 1x4a s TYR 26 CO 0.23 -0.13 -0.19 0.08 0.64 0.00 0.00 175.55 176.18 1x4a s VAL 27 N -0.32 2.39 0.24 3.14 1.01 -0.34 -1.27 120.40 125.24 1x4a s VAL 27 Ca 0.02 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1x4a s VAL 27 Cb -0.11 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1x4a s VAL 27 CO 0.01 0.54 0.06 0.61 0.00 0.00 0.00 175.10 176.32 1x4a n GLY 28 N 3.77 3.69 2.65 4.51 0.00 0.41 -2.79 105.19 117.42 1x4a n GLY 28 Ca -0.19 -2.09 -0.14 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.62 -5.40 -4.73 1.61 2.85 -1.26 -0.23 115.26 106.48 1x4a n ASN 29 Ca -0.05 0.36 -0.32 0.00 -0.11 0.00 0.00 54.58 54.46 1x4a n ASN 29 Cb 0.34 -4.31 0.11 0.00 1.24 0.00 0.00 39.78 37.16 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 -3.35 3.03 0.84 1.20 1.43 -1.25 -4.33 118.68 116.25 1x4a s LEU 30 Ca 0.00 2.03 -0.12 0.00 -1.03 0.00 0.00 54.13 55.01 1x4a s LEU 30 Cb 0.00 -4.55 0.10 0.00 0.03 0.00 0.00 46.19 41.77 1x4a s LEU 30 CO 0.00 -2.40 1.11 -2.16 0.23 0.00 0.00 176.35 173.13 1x4a s PRO 31 N -4.63 1.71 0.27 1.29 0.04 -1.26 -4.28 135.00 128.15 1x4a s PRO 31 Ca 0.65 0.50 0.13 0.00 0.04 0.00 0.00 61.00 62.32 1x4a s PRO 31 Cb -0.21 -1.89 0.29 0.00 0.04 0.00 0.00 34.50 32.73 1x4a s PRO 31 CO 0.54 -1.85 1.55 -1.00 0.04 0.00 0.00 177.00 176.28 1x4a h PRO 32 N -1.25 0.00 -1.86 0.56 0.13 -1.97 -3.23 132.00 124.38 1x4a h PRO 32 Ca -0.48 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 63.94 1x4a h PRO 32 Cb 1.29 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.10 1x4a h PRO 32 CO 0.60 0.61 0.44 -3.47 -0.23 0.00 0.00 178.00 175.95 1x4a n ASP 33 N -3.54 6.53 -4.94 1.44 -0.08 -1.26 -5.00 116.55 109.69 1x4a n ASP 33 Ca -0.00 -3.79 -0.25 0.00 -1.51 0.00 0.00 54.79 49.23 1x4a n ASP 33 Cb 0.67 -0.86 -0.03 0.00 2.34 0.00 0.00 41.12 43.24 1x4a n ASP 33 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1x4a s ILE 34 N -5.18 5.21 0.02 5.18 1.10 -1.22 -5.11 121.20 121.19 1x4a s ILE 34 Ca 0.50 -0.53 0.04 0.00 -0.51 0.00 0.00 60.65 60.15 1x4a s ILE 34 Cb 0.41 -3.78 -0.02 0.00 0.15 0.00 0.00 42.46 39.22 1x4a s ILE 34 CO -0.32 -0.27 -0.13 -0.13 -2.11 0.00 0.00 174.94 171.98 1x4a s ARG 35 N -3.62 0.92 0.23 3.50 0.52 -1.26 -5.04 118.95 114.20 1x4a s ARG 35 Ca 0.38 -0.60 -0.06 0.00 -0.52 0.00 0.00 55.73 54.93 1x4a s ARG 35 Cb -0.10 -0.90 0.38 0.00 0.52 0.00 0.00 34.95 34.85 1x4a s ARG 35 CO 0.30 0.23 1.76 1.15 0.02 0.00 0.00 175.30 178.77 1x4a h THR 36 N 4.67 0.78 0.26 0.02 2.02 -1.99 0.12 112.91 118.79 1x4a h THR 36 Ca -0.35 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1x4a h THR 36 Cb 1.18 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1x4a h THR 36 CO 0.46 0.10 -0.12 0.50 0.37 0.00 0.00 175.52 176.83 1x4a h LYS 37 N 0.55 -0.34 -0.91 6.66 1.63 -1.98 0.89 116.57 123.07 1x4a h LYS 37 Ca 0.37 0.02 0.19 0.00 -0.85 0.00 0.00 60.65 60.39 1x4a h LYS 37 Cb 0.46 0.08 -0.11 0.00 -0.60 0.00 0.00 32.23 32.05 1x4a h LYS 37 CO -0.31 -0.14 0.47 -0.44 -3.45 0.00 0.00 179.45 175.59 1x4a h ASP 38 N -0.47 0.52 0.68 4.20 3.32 -1.75 1.39 116.42 124.31 1x4a h ASP 38 Ca -0.04 0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1x4a h ASP 38 Cb 0.36 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1x4a h ASP 38 CO 0.06 0.14 -0.33 0.40 -1.72 0.00 0.00 179.24 177.78 1x4a h ILE 39 N 0.56 0.90 0.17 0.35 2.04 -0.35 -2.08 117.51 119.09 1x4a h ILE 39 Ca 0.54 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1x4a h ILE 39 Cb 0.92 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1x4a h ILE 39 CO -0.44 0.32 -0.08 -0.08 0.00 0.00 0.00 178.15 177.87 1x4a h GLU 40 N 0.00 -0.22 -0.18 2.37 4.81 0.41 -2.95 114.58 118.82 1x4a h GLU 40 Ca -0.00 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1x4a h GLU 40 Cb 0.76 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1x4a h GLU 40 CO 0.04 -0.15 0.46 0.22 -0.73 0.00 0.00 179.01 178.86 1x4a h ASP 41 N -0.63 0.00 0.18 1.04 1.82 -0.33 1.15 116.42 119.65 1x4a h ASP 41 Ca -0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.61 1x4a h ASP 41 Cb 0.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.19 1x4a h ASP 41 CO 0.04 0.00 -0.09 0.58 -1.61 0.00 0.00 179.24 178.16 1x4a h VAL 42 N 0.00 0.93 0.00 2.25 2.07 -1.37 -3.17 116.25 116.96 1x4a h VAL 42 Ca 0.09 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1x4a h VAL 42 Cb 1.01 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1x4a h VAL 42 CO -0.00 0.15 -0.36 -0.26 0.02 0.00 0.00 177.57 177.13 1x4a h PHE 43 N -0.60 0.00 0.00 1.57 -1.00 -0.39 -3.23 116.94 113.30 1x4a h PHE 43 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1x4a h PHE 43 Cb 0.44 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.00 1x4a h PHE 43 CO 0.03 0.13 0.04 0.98 -1.61 0.00 0.00 178.31 177.89 1x4a n TYR 44 N -3.04 0.70 0.35 -0.55 4.19 0.36 -0.30 117.16 118.88 1x4a n TYR 44 Ca 0.02 0.37 0.10 0.00 3.31 0.00 0.00 57.90 61.70 1x4a n TYR 44 Cb 0.59 -1.06 0.46 0.00 0.49 0.00 0.00 39.34 39.82 1x4a n TYR 44 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 1x4a n LYS 45 N -2.23 0.15 -0.09 2.98 -0.00 -1.22 -3.44 118.16 114.30 1x4a n LYS 45 Ca -0.01 0.44 -0.09 0.00 -0.00 0.00 0.00 58.31 58.65 1x4a n LYS 45 Cb 0.07 -1.82 -0.03 0.00 -0.00 0.00 0.00 35.03 33.25 1x4a n LYS 45 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1x4a n TYR 46 N -2.10 0.02 0.00 5.58 4.01 0.59 -5.11 117.16 120.15 1x4a n TYR 46 Ca 0.02 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1x4a n TYR 46 Cb 0.17 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 38.71 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 1.46 4.15 3.43 2.72 0.00 -1.21 -5.12 105.19 110.62 1x4a n GLY 47 Ca -0.14 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.63 2.34 0.04 4.61 0.00 -1.26 -4.48 121.76 121.37 1x4a s ALA 48 Ca 0.00 -1.90 0.07 0.00 0.00 0.00 0.00 51.96 50.13 1x4a s ALA 48 Cb 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 1x4a s ALA 48 CO 0.00 -0.07 -0.20 0.42 0.00 0.00 0.00 175.76 175.91 1x4a s ILE 49 N -3.02 2.68 -0.10 0.00 1.01 -1.26 -4.01 121.20 116.51 1x4a s ILE 49 Ca 0.29 -1.23 0.01 0.00 0.00 0.00 0.00 60.65 59.73 1x4a s ILE 49 Cb 0.04 -2.11 -0.25 0.00 0.01 0.00 0.00 42.46 40.14 1x4a s ILE 49 CO 0.12 0.34 0.45 -1.14 0.00 0.00 0.00 174.94 174.71 1x4a n ARG 50 N 1.58 0.71 -3.60 2.79 0.63 0.44 -4.92 116.66 114.29 1x4a n ARG 50 Ca -0.16 0.27 -0.05 0.00 -0.92 0.00 0.00 57.85 56.99 1x4a n ARG 50 Cb 0.52 -1.73 -0.03 0.00 0.45 0.00 0.00 32.46 31.67 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 -6.64 -0.14 -0.06 6.15 2.15 -1.21 -5.00 116.67 111.92 1x4a s ASP 51 Ca -0.16 0.05 0.02 0.00 0.43 0.00 0.00 52.55 52.89 1x4a s ASP 51 Cb 0.07 0.14 0.02 0.00 -0.30 0.00 0.00 42.92 42.84 1x4a s ASP 51 CO 0.79 -0.20 -0.09 -0.63 -0.17 0.00 0.00 175.17 174.87 1x4a s ILE 52 N -2.00 0.89 -0.26 4.11 1.01 -1.26 -1.48 121.20 122.21 1x4a s ILE 52 Ca 0.08 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.42 1x4a s ILE 52 Cb -0.01 -0.84 0.05 0.00 0.01 0.00 0.00 42.46 41.67 1x4a s ILE 52 CO -0.05 0.30 -0.09 -1.81 0.00 0.00 0.00 174.94 173.30 1x4a s ASP 53 N 0.80 4.43 -0.15 3.58 1.01 -0.35 -4.95 116.67 121.04 1x4a s ASP 53 Ca -0.13 -1.26 -0.01 0.00 0.71 0.00 0.00 52.55 51.86 1x4a s ASP 53 Cb -0.15 -1.59 -0.01 0.00 1.01 0.00 0.00 42.92 42.17 1x4a s ASP 53 CO 0.02 -0.18 -0.11 -0.22 0.21 0.00 0.00 175.17 174.89 1x4a s LEU 54 N 1.17 2.77 -0.51 1.23 2.96 -1.26 0.67 118.68 125.70 1x4a s LEU 54 Ca -0.06 -0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 53.41 1x4a s LEU 54 Cb -0.19 -1.65 0.13 0.00 0.50 0.00 0.00 46.19 44.98 1x4a s LEU 54 CO -0.05 0.12 0.40 -0.54 -1.32 0.00 0.00 176.35 174.96 1x4a s LYS 55 N 0.64 2.63 -0.82 1.98 -0.14 -0.46 -4.99 119.74 118.57 1x4a s LYS 55 Ca -0.06 -1.84 -0.14 0.00 -1.36 0.00 0.00 55.97 52.56 1x4a s LYS 55 Cb -0.15 -4.01 0.21 0.00 -1.68 0.00 0.00 37.83 32.20 1x4a s LYS 55 CO 0.03 -1.22 0.78 1.21 -0.76 0.00 0.00 175.35 175.38 1x4a s ASN 56 N 2.68 6.74 0.00 2.83 3.84 -1.26 -4.13 114.94 125.64 1x4a s ASN 56 Ca 0.07 -2.63 0.00 0.00 0.21 0.00 0.00 52.86 50.50 1x4a s ASN 56 Cb -0.26 -2.22 0.00 0.00 -0.55 0.00 0.00 41.25 38.23 1x4a s ASN 56 CO -0.01 -0.60 0.00 -1.14 -2.79 0.00 0.00 177.10 172.56 1x4a n ARG 57 N 4.12 0.00 0.00 0.43 0.63 -1.26 -5.17 116.66 115.41 1x4a n ARG 57 Ca 0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 1x4a n ARG 57 Cb 0.47 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.38 1x4a n ARG 57 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1x4a n ARG 58 N 0.00 -1.14 -3.07 -0.14 1.74 -1.26 -5.05 116.66 107.74 1x4a n ARG 58 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 1x4a n ARG 58 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 1x4a n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x4a n GLY 59 N -0.60 5.00 0.00 -0.13 0.00 -1.26 -4.93 105.19 103.27 1x4a n GLY 59 Ca 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.36 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 1.56 -0.57 3.79 -0.02 0.00 -1.26 -5.15 105.19 103.53 1x4a n GLY 60 Ca 0.26 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.42 4.02 0.25 1.61 0.04 -1.26 -5.01 135.00 134.23 1x4a s PRO 61 Ca 0.00 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 1x4a s PRO 61 Cb 0.00 -2.37 -0.09 0.00 0.04 0.00 0.00 34.50 32.08 1x4a s PRO 61 CO 0.00 -0.26 1.09 -1.25 0.04 0.00 0.00 177.00 176.62 1x4a s PRO 62 N -2.77 4.64 0.15 0.56 0.04 -1.26 -4.91 135.00 131.45 1x4a s PRO 62 Ca 0.61 1.76 0.07 0.00 0.04 0.00 0.00 61.00 63.48 1x4a s PRO 62 Cb -0.20 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1x4a s PRO 62 CO 0.25 0.19 -0.15 -0.59 0.04 0.00 0.00 177.00 176.74 1x4a s PHE 63 N -0.89 1.57 0.24 0.56 -0.71 -1.26 -3.83 117.98 113.65 1x4a s PHE 63 Ca 0.46 -0.56 -0.21 0.00 -1.04 0.00 0.00 56.93 55.58 1x4a s PHE 63 Cb -0.31 -0.78 0.04 0.00 -1.21 0.00 0.00 43.02 40.75 1x4a s PHE 63 CO 0.39 0.24 0.67 0.00 -1.34 0.00 0.00 175.22 175.17 1x4a s ALA 64 N -2.42 -1.30 0.04 1.99 0.00 -1.12 -1.36 121.76 117.58 1x4a s ALA 64 Ca 0.15 -0.07 0.09 0.00 0.00 0.00 0.00 51.96 52.13 1x4a s ALA 64 Cb -0.03 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 1x4a s ALA 64 CO 0.05 -0.94 -0.24 -0.06 0.00 0.00 0.00 175.76 174.57 1x4a s PHE 65 N -3.87 2.39 -0.17 0.00 0.40 0.21 -1.19 117.98 115.75 1x4a s PHE 65 Ca 0.08 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.05 1x4a s PHE 65 Cb -0.04 -1.42 0.01 0.00 0.51 0.00 0.00 43.02 42.08 1x4a s PHE 65 CO 0.00 0.15 -0.20 0.08 0.70 0.00 0.00 175.22 175.95 1x4a s VAL 66 N -0.82 2.17 -0.34 -0.44 1.01 0.67 -1.21 120.40 121.43 1x4a s VAL 66 Ca 0.12 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 1x4a s VAL 66 Cb -0.10 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1x4a s VAL 66 CO 0.03 0.54 0.22 -0.70 0.00 0.00 0.00 175.10 175.18 1x4a s GLU 67 N 1.10 3.42 0.45 2.72 2.12 -0.55 -0.61 118.70 127.35 1x4a s GLU 67 Ca 0.00 -0.69 -0.02 0.00 0.36 0.00 0.00 54.97 54.62 1x4a s GLU 67 Cb -0.14 -3.76 -0.02 0.00 0.26 0.00 0.00 34.13 30.47 1x4a s GLU 67 CO -0.08 -0.46 0.70 -0.06 -0.54 0.00 0.00 175.26 174.82 1x4a s PHE 68 N 1.69 3.42 -0.01 5.30 0.08 -0.37 0.17 117.98 128.25 1x4a s PHE 68 Ca 0.06 0.50 -0.20 0.00 0.12 0.00 0.00 56.93 57.41 1x4a s PHE 68 Cb -0.17 -2.24 -0.29 0.00 -0.57 0.00 0.00 43.02 39.75 1x4a s PHE 68 CO 0.09 -0.25 1.00 0.93 -0.10 0.00 0.00 175.22 176.89 1x4a h GLU 69 N 0.37 0.41 -6.62 0.44 4.39 -1.88 -3.44 114.58 108.24 1x4a h GLU 69 Ca -0.47 -0.57 -0.66 0.00 0.34 0.00 0.00 59.36 58.00 1x4a h GLU 69 Cb 1.23 0.19 -0.17 0.00 -0.10 0.00 0.00 28.75 29.90 1x4a h GLU 69 CO 0.60 1.23 -0.77 -0.51 -1.16 0.00 0.00 179.01 178.40 1x4a s ASP 70 N -7.01 4.09 0.05 1.42 1.01 -1.26 -5.04 116.67 109.93 1x4a s ASP 70 Ca -0.12 -0.52 -0.16 0.00 0.71 0.00 0.00 52.55 52.45 1x4a s ASP 70 Cb 0.03 -0.65 -0.21 0.00 1.01 0.00 0.00 42.92 43.09 1x4a s ASP 70 CO 0.85 0.16 1.19 1.55 0.21 0.00 0.00 175.17 179.14 1x4a h PRO 71 N 3.54 0.60 -0.68 8.23 0.13 -1.93 -1.69 132.00 140.19 1x4a h PRO 71 Ca -0.49 -0.58 0.15 0.00 -0.87 0.00 0.00 66.00 64.21 1x4a h PRO 71 Cb 1.17 0.15 -0.12 0.00 0.13 0.00 0.00 31.00 32.34 1x4a h PRO 71 CO 0.49 1.20 0.02 0.00 -0.23 0.00 0.00 178.00 179.48 1x4a h ARG 72 N 0.22 0.12 0.28 0.86 3.08 -1.99 0.37 114.38 117.32 1x4a h ARG 72 Ca -0.08 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1x4a h ARG 72 Cb 1.43 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.45 1x4a h ARG 72 CO 0.15 0.08 -0.13 -0.44 -1.07 0.00 0.00 179.97 178.56 1x4a h ASP 73 N 0.12 -0.31 -1.61 7.04 5.19 -1.98 -0.40 116.42 124.47 1x4a h ASP 73 Ca 0.37 -0.15 0.51 0.00 -0.62 0.00 0.00 57.03 57.14 1x4a h ASP 73 Cb 0.62 0.08 -0.11 0.00 0.18 0.00 0.00 39.33 40.10 1x4a h ASP 73 CO -0.58 0.18 1.09 0.00 -3.12 0.00 0.00 179.24 176.81 1x4a h ALA 74 N -0.77 3.24 0.00 3.45 0.00 -0.75 0.73 119.26 125.16 1x4a h ALA 74 Ca -0.04 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1x4a h ALA 74 Cb 0.44 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1x4a h ALA 74 CO 0.06 -1.88 -0.01 0.93 0.00 0.00 0.00 179.25 178.36 1x4a h GLU 75 N 0.01 0.00 -1.69 0.00 5.08 -0.21 -2.47 114.58 115.29 1x4a h GLU 75 Ca 0.90 0.00 0.53 0.00 -1.00 0.00 0.00 59.36 59.78 1x4a h GLU 75 Cb 3.18 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 32.32 1x4a h GLU 75 CO -0.28 0.00 1.17 -0.44 -1.00 0.00 0.00 179.01 178.46 1x4a h ASP 76 N -0.21 0.09 0.33 1.42 5.19 0.49 1.59 116.42 125.32 1x4a h ASP 76 Ca 0.00 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.47 1x4a h ASP 76 Cb 0.01 0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1x4a h ASP 76 CO 0.00 -0.12 -0.16 0.00 -3.12 0.00 0.00 179.24 175.85 1x4a h ALA 77 N 1.29 -0.56 -0.61 3.45 0.00 0.30 -2.19 119.26 120.94 1x4a h ALA 77 Ca 0.91 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.85 1x4a h ALA 77 Cb 3.32 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 21.25 1x4a h ALA 77 CO -0.22 -0.53 0.42 -0.24 0.00 0.00 0.00 179.25 178.68 1x4a h VAL 78 N -0.84 0.81 0.00 0.00 3.04 0.39 0.99 116.25 120.64 1x4a h VAL 78 Ca -0.04 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 1x4a h VAL 78 Cb 0.34 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 1x4a h VAL 78 CO 0.07 0.05 0.00 -1.22 -1.01 0.00 0.00 177.57 175.46 1x4a n TYR 79 N -4.44 0.28 0.00 3.17 4.02 0.49 -2.64 117.16 118.04 1x4a n TYR 79 Ca 0.11 0.10 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 1x4a n TYR 79 Cb 0.50 -0.66 0.00 0.00 -0.02 0.00 0.00 39.34 39.16 1x4a n TYR 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x4a n GLY 80 N 0.49 -0.17 0.39 2.72 0.00 0.31 -4.67 105.19 104.26 1x4a n GLY 80 Ca 0.04 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.71 -0.04 -1.51 1.61 5.12 0.67 -4.26 116.66 116.53 1x4a n ARG 81 Ca 0.00 1.23 -0.37 0.00 -1.93 0.00 0.00 57.85 56.78 1x4a n ARG 81 Cb 0.00 -2.33 -0.14 0.00 -1.16 0.00 0.00 32.46 28.83 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 -4.82 0.40 -0.05 0.55 2.03 -1.08 0.12 116.55 113.70 1x4a n ASP 82 Ca 0.37 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.62 1x4a n ASP 82 Cb 1.37 -0.99 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 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 1.12 3.93 0.27 0.00 -1.01 -4.87 105.19 110.94 1x4a n GLY 83 Ca 0.62 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.09 2.87 -0.34 1.61 5.04 0.33 -4.86 117.35 119.91 1x4a s TYR 84 Ca 0.00 0.45 0.03 0.00 -2.44 0.00 0.00 57.07 55.11 1x4a s TYR 84 Cb 0.00 -3.23 0.10 0.00 0.35 0.00 0.00 41.96 39.18 1x4a s TYR 84 CO 0.00 -1.46 0.07 0.34 -1.34 0.00 0.00 175.55 173.16 1x4a s ASP 85 N -4.53 4.57 -0.65 4.32 2.15 -1.26 -1.87 116.67 119.39 1x4a s ASP 85 Ca 0.61 -2.06 -0.16 0.00 0.43 0.00 0.00 52.55 51.37 1x4a s ASP 85 Cb -0.11 -1.44 0.16 0.00 -0.30 0.00 0.00 42.92 41.23 1x4a s ASP 85 CO 0.45 -0.38 0.63 -0.47 -0.17 0.00 0.00 175.17 175.23 1x4a s TYR 86 N 1.04 3.39 -1.43 -5.34 6.14 0.22 -4.42 117.35 116.96 1x4a s TYR 86 Ca 0.11 -1.50 -0.03 0.00 0.64 0.00 0.00 57.07 56.30 1x4a s TYR 86 Cb -0.19 -3.85 0.01 0.00 0.42 0.00 0.00 41.96 38.36 1x4a s TYR 86 CO -0.12 -1.05 0.24 -3.47 0.64 0.00 0.00 175.55 171.78 1x4a n ASP 87 N 4.97 -5.01 0.00 4.32 2.03 -1.26 -0.29 116.55 121.31 1x4a n ASP 87 Ca -0.03 -0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1x4a n ASP 87 Cb 0.43 -4.15 0.00 0.00 -0.72 0.00 0.00 41.12 36.68 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 -1.11 2.97 3.59 0.27 0.00 -1.26 -5.01 105.19 104.64 1x4a n GLY 88 Ca -0.15 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.87 1.97 0.02 1.61 2.02 0.60 -4.95 117.35 116.74 1x4a s TYR 89 Ca 0.00 0.65 -0.30 0.00 -0.37 0.00 0.00 57.07 57.05 1x4a s TYR 89 Cb 0.00 -4.19 -0.05 0.00 -0.40 0.00 0.00 41.96 37.32 1x4a s TYR 89 CO 0.00 -2.56 1.25 1.03 -1.57 0.00 0.00 175.55 173.69 1x4a s ARG 90 N 5.65 4.37 0.15 -0.62 0.52 -1.26 -0.61 118.95 127.16 1x4a s ARG 90 Ca 0.72 1.80 -0.03 0.00 -0.52 0.00 0.00 55.73 57.70 1x4a s ARG 90 Cb -0.18 -3.45 -0.05 0.00 0.52 0.00 0.00 34.95 31.79 1x4a s ARG 90 CO 0.31 -0.38 0.36 -0.51 0.02 0.00 0.00 175.30 175.10 1x4a s LEU 91 N 1.66 4.26 -0.37 2.53 1.43 -0.78 -4.48 118.68 122.93 1x4a s LEU 91 Ca 0.59 0.49 0.03 0.00 -1.03 0.00 0.00 54.13 54.21 1x4a s LEU 91 Cb -0.29 -3.22 0.11 0.00 0.03 0.00 0.00 46.19 42.81 1x4a s LEU 91 CO 0.27 0.03 0.10 -0.60 0.23 0.00 0.00 176.35 176.38 1x4a s ARG 92 N -2.86 1.47 -0.20 1.70 3.52 0.68 -2.39 118.95 120.87 1x4a s ARG 92 Ca 0.39 -1.93 -0.14 0.00 -0.13 0.00 0.00 55.73 53.93 1x4a s ARG 92 Cb -0.12 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 1x4a s ARG 92 CO 0.27 -0.98 0.32 0.08 -0.81 0.00 0.00 175.30 174.17 1x4a s VAL 93 N 0.75 5.26 -0.09 7.11 1.01 -1.26 -0.44 120.40 132.74 1x4a s VAL 93 Ca 0.12 0.56 -0.30 0.00 0.00 0.00 0.00 61.98 62.36 1x4a s VAL 93 Cb -0.20 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.59 1x4a s VAL 93 CO -0.08 0.30 0.68 -1.83 0.00 0.00 0.00 175.10 174.18 1x4a s GLU 94 N 1.05 1.02 0.54 2.72 -1.05 -0.40 -4.53 118.70 118.05 1x4a s GLU 94 Ca 0.16 0.38 -0.19 0.00 -0.15 0.00 0.00 54.97 55.16 1x4a s GLU 94 Cb -0.14 0.48 -0.06 0.00 -0.44 0.00 0.00 34.13 33.98 1x4a s GLU 94 CO 0.06 -0.29 1.12 -0.06 0.95 0.00 0.00 175.26 177.04 1x4a s PHE 95 N -0.94 2.69 -0.02 4.83 0.08 -1.26 -2.08 117.98 121.28 1x4a s PHE 95 Ca -0.09 1.55 -0.22 0.00 0.12 0.00 0.00 56.93 58.28 1x4a s PHE 95 Cb -0.01 -3.27 -0.22 0.00 -0.57 0.00 0.00 43.02 38.95 1x4a s PHE 95 CO 0.08 -1.53 1.09 -1.00 -0.10 0.00 0.00 175.22 173.76 1x4a h PRO 96 N 1.18 0.27 -1.81 0.24 0.13 -1.94 -3.47 132.00 126.60 1x4a h PRO 96 Ca -0.50 -0.26 0.09 0.00 -0.87 0.00 0.00 66.00 64.47 1x4a h PRO 96 Cb 1.26 0.07 -0.20 0.00 0.13 0.00 0.00 31.00 32.26 1x4a h PRO 96 CO 0.57 0.95 0.53 1.03 -0.23 0.00 0.00 178.00 180.85 1x4a s ARG 97 N -3.31 0.67 0.06 0.86 0.52 -1.26 -5.16 118.95 111.33 1x4a s ARG 97 Ca -0.15 -0.01 -0.27 0.00 -0.52 0.00 0.00 55.73 54.78 1x4a s ARG 97 Cb 0.02 0.31 0.09 0.00 0.52 0.00 0.00 34.95 35.89 1x4a s ARG 97 CO 0.77 -0.24 0.88 0.45 0.02 0.00 0.00 175.30 177.17 1x4a s SER 98 N -1.62 -0.33 -0.12 0.23 0.15 -1.26 -4.97 113.70 105.78 1x4a s SER 98 Ca 0.01 -0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.58 1x4a s SER 98 Cb -0.01 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1x4a s SER 98 CO -0.02 -0.74 -0.23 -0.83 1.20 0.00 0.00 173.24 172.62 1x4a s GLY 99 N -2.63 1.33 -0.08 9.45 0.00 -1.26 -3.88 107.32 110.25 1x4a s GLY 99 Ca 0.07 -1.01 -0.03 0.00 0.00 0.00 0.00 44.72 43.74 1x4a s GLY 99 CO -0.06 -0.19 0.17 1.09 0.00 0.00 0.00 173.10 174.11 1x4a s ARG 100 N 0.55 0.11 0.00 2.90 1.70 -1.26 -4.94 118.95 118.00 1x4a s ARG 100 Ca -0.14 0.44 0.00 0.00 -0.47 0.00 0.00 55.73 55.56 1x4a s ARG 100 Cb -0.17 -0.18 0.00 0.00 -0.57 0.00 0.00 34.95 34.03 1x4a s ARG 100 CO 0.04 -0.19 0.00 0.41 -1.08 0.00 0.00 175.30 174.48 1x4a n GLY 101 N 4.41 4.33 3.26 3.88 0.00 -1.26 -4.60 105.19 115.22 1x4a n GLY 101 Ca -0.23 -1.50 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 1x4a n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x4a s THR 102 N -2.00 0.86 0.53 2.61 -4.23 -1.26 -5.15 115.64 107.00 1x4a s THR 102 Ca 0.00 -2.01 0.07 0.00 -1.18 0.00 0.00 61.69 58.57 1x4a s THR 102 Cb 0.00 -2.11 0.04 0.00 1.34 0.00 0.00 72.50 71.77 1x4a s THR 102 CO 0.00 -0.50 0.47 -0.83 -0.54 0.00 0.00 174.62 173.22 1x4a s GLY 103 N -3.20 2.21 0.03 3.99 0.00 -1.26 -5.15 107.32 103.94 1x4a s GLY 103 Ca 0.23 -1.54 -0.09 0.00 0.00 0.00 0.00 44.72 43.33 1x4a s GLY 103 CO 0.04 -1.86 0.18 -1.35 0.00 0.00 0.00 173.10 170.12 1x4a s SER 104 N -4.33 0.02 -0.37 1.64 1.04 -1.26 -5.13 113.70 105.32 1x4a s SER 104 Ca 0.42 -0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.57 1x4a s SER 104 Cb -0.03 0.27 0.11 0.00 0.10 0.00 0.00 66.02 66.46 1x4a s SER 104 CO 0.26 -0.50 0.12 -0.83 0.98 0.00 0.00 173.24 173.26 1x4a s GLY 105 N -1.86 1.75 -0.08 7.32 0.00 -1.26 -4.97 107.32 108.22 1x4a s GLY 105 Ca -0.08 -2.42 -0.24 0.00 0.00 0.00 0.00 44.72 41.98 1x4a s GLY 105 CO -0.02 1.21 0.88 -0.56 0.00 0.00 0.00 173.10 174.60 1x4a h PRO 106 N 7.47 -0.07 -3.18 2.90 0.13 -2.08 -3.50 132.00 133.67 1x4a h PRO 106 Ca -0.07 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.43 1x4a h PRO 106 Cb 0.99 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.01 1x4a h PRO 106 CO 0.53 0.54 -0.71 0.45 -0.23 0.00 0.00 178.00 178.58 1x4a n SER 107 N -4.79 -8.32 -4.06 1.44 2.88 -1.26 -5.01 113.62 94.51 1x4a n SER 107 Ca -0.08 0.80 -0.10 0.00 -1.33 0.00 0.00 58.87 58.16 1x4a n SER 107 Cb 0.32 -4.37 -0.08 0.00 -0.75 0.00 0.00 64.21 59.33 1x4a n SER 107 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4a s SER 108 N -7.07 0.15 0.00 -3.46 0.15 -1.26 -5.33 113.70 96.89 1x4a s SER 108 Ca 0.00 -1.06 0.07 0.00 0.70 0.00 0.00 55.95 55.66 1x4a s SER 108 Cb 0.00 0.38 0.40 0.00 -1.71 0.00 0.00 66.02 65.10 1x4a s SER 108 CO 0.00 -0.83 0.87 0.61 1.20 0.00 0.00 173.24 175.08