#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 -2.92 -3.35 1.61 2.88 -1.26 -5.09 113.62 105.49 1x4a n SER 2 Ca 0.00 -2.82 -0.13 0.00 -1.33 0.00 0.00 58.87 54.59 1x4a n SER 2 Cb 0.00 1.33 -0.08 0.00 -0.75 0.00 0.00 64.21 64.72 1x4a n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4a s SER 3 N 0.72 1.03 -0.82 -3.46 0.15 -1.26 -5.09 113.70 104.96 1x4a s SER 3 Ca 0.31 -0.62 -0.19 0.00 0.70 0.00 0.00 55.95 56.15 1x4a s SER 3 Cb 0.01 0.80 0.13 0.00 -1.71 0.00 0.00 66.02 65.24 1x4a s SER 3 CO -0.08 -0.37 1.00 -0.83 1.20 0.00 0.00 173.24 174.17 1x4a s GLY 4 N 2.41 1.89 0.01 9.45 0.00 -1.26 -4.99 107.32 114.81 1x4a s GLY 4 Ca 0.10 -2.59 0.05 0.00 0.00 0.00 0.00 44.72 42.28 1x4a s GLY 4 CO -0.30 1.88 -0.16 -0.45 0.00 0.00 0.00 173.10 174.07 1x4a s SER 5 N 3.49 1.83 -0.01 1.64 0.15 -1.26 -5.14 113.70 114.40 1x4a s SER 5 Ca 0.26 -0.34 -0.17 0.00 0.70 0.00 0.00 55.95 56.40 1x4a s SER 5 Cb -0.10 -0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.06 1x4a s SER 5 CO -0.04 0.15 0.35 -0.55 1.20 0.00 0.00 173.24 174.35 1x4a s SER 6 N -0.63 -0.24 -0.29 5.45 0.15 -1.26 -5.16 113.70 111.72 1x4a s SER 6 Ca 0.05 0.12 -0.18 0.00 0.70 0.00 0.00 55.95 56.64 1x4a s SER 6 Cb -0.07 0.35 0.17 0.00 -1.71 0.00 0.00 66.02 64.76 1x4a s SER 6 CO 0.00 -0.49 1.10 -0.83 1.20 0.00 0.00 173.24 174.22 1x4a s GLY 7 N -1.43 0.20 0.36 9.45 0.00 -1.26 -5.16 107.32 109.48 1x4a s GLY 7 Ca -0.12 3.34 0.08 0.00 0.00 0.00 0.00 44.72 48.01 1x4a s GLY 7 CO 0.04 2.53 0.30 1.06 0.00 0.00 0.00 173.10 177.02 1x4a s MET 8 N 1.05 2.63 -0.08 2.90 1.00 -1.26 -4.66 119.30 120.88 1x4a s MET 8 Ca -0.06 -1.39 -0.32 0.00 0.00 0.00 0.00 55.69 53.91 1x4a s MET 8 Cb -0.03 -2.41 0.14 0.00 0.00 0.00 0.00 34.83 32.52 1x4a s MET 8 CO -0.13 0.02 1.40 0.45 0.00 0.00 0.00 175.02 176.76 1x4a s SER 9 N -4.01 -0.02 0.00 3.03 0.15 -1.26 -4.75 113.70 106.84 1x4a s SER 9 Ca 0.42 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.03 1x4a s SER 9 Cb -0.05 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1x4a s SER 9 CO 0.26 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1x4a n GLY 10 N -0.49 0.84 0.00 9.45 0.00 -1.26 -5.06 105.19 108.67 1x4a n GLY 10 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 4.85 -0.63 0.00 -0.02 0.00 -1.26 -5.12 105.19 103.01 1x4a n GLY 11 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 2.51 2.99 -0.02 0.00 -1.26 -5.10 105.19 104.31 1x4a n GLY 12 Ca 0.00 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 1x4a n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4a s VAL 13 N -1.61 -0.17 0.29 1.61 0.11 -1.26 -5.03 120.40 114.34 1x4a s VAL 13 Ca 0.00 0.21 0.03 0.00 -2.93 0.00 0.00 61.98 59.29 1x4a s VAL 13 Cb 0.00 -0.36 0.28 0.00 -1.53 0.00 0.00 36.38 34.77 1x4a s VAL 13 CO 0.00 0.09 1.70 -0.29 -3.33 0.00 0.00 175.10 173.27 1x4a h ILE 14 N 6.07 0.49 -3.23 7.04 2.10 -2.08 -3.40 117.51 124.50 1x4a h ILE 14 Ca -0.31 -0.14 -0.17 0.00 1.08 0.00 0.00 64.86 65.32 1x4a h ILE 14 Cb 1.14 0.05 -0.26 0.00 -1.09 0.00 0.00 36.82 36.66 1x4a h ILE 14 CO 0.29 0.07 -0.47 -0.13 -1.08 0.00 0.00 178.15 176.84 1x4a s ARG 15 N -5.90 0.26 0.18 2.19 0.52 -1.26 -5.17 118.95 109.77 1x4a s ARG 15 Ca -0.12 0.26 0.04 0.00 -0.52 0.00 0.00 55.73 55.40 1x4a s ARG 15 Cb 0.25 0.12 -0.04 0.00 0.52 0.00 0.00 34.95 35.81 1x4a s ARG 15 CO 0.78 -0.03 0.22 0.20 0.02 0.00 0.00 175.30 176.48 1x4a s GLY 16 N 0.04 1.62 -0.24 -3.53 0.00 -1.26 -5.06 107.32 98.89 1x4a s GLY 16 Ca -0.01 -1.18 -0.29 0.00 0.00 0.00 0.00 44.72 43.24 1x4a s GLY 16 CO 0.00 -1.19 1.32 2.56 0.00 0.00 0.00 173.10 175.79 1x4a s PRO 17 N -3.33 4.03 -0.98 2.90 0.04 -1.26 -4.95 135.00 131.46 1x4a s PRO 17 Ca 0.33 1.46 -0.03 0.00 0.04 0.00 0.00 61.00 62.80 1x4a s PRO 17 Cb -0.10 -3.85 0.27 0.00 0.04 0.00 0.00 34.50 30.86 1x4a s PRO 17 CO 0.26 -0.97 1.13 0.00 0.04 0.00 0.00 177.00 177.46 1x4a n ALA 18 N 7.30 4.50 -1.38 8.56 0.00 -1.26 -5.01 120.51 133.22 1x4a n ALA 18 Ca 0.15 -4.73 0.00 0.00 0.00 0.00 0.00 53.44 48.86 1x4a n ALA 18 Cb 0.46 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1x4a n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4a n GLY 19 N 1.74 1.19 3.46 0.00 0.00 -1.26 -5.06 105.19 105.26 1x4a n GLY 19 Ca 0.25 -1.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.00 5.08 0.35 1.61 2.47 -1.26 -4.91 114.94 117.28 1x4a s ASN 20 Ca 0.00 -0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.10 1x4a s ASN 20 Cb 0.00 -1.90 0.00 0.00 -1.45 0.00 0.00 41.25 37.90 1x4a s ASN 20 CO 0.00 0.02 0.00 0.59 -3.72 0.00 0.00 177.10 173.99 1x4a n ASN 21 N 4.57 -9.18 -4.31 -4.21 3.02 -1.26 -4.96 115.26 98.93 1x4a n ASN 21 Ca -0.17 1.31 -0.34 0.00 -0.03 0.00 0.00 54.58 55.35 1x4a n ASN 21 Cb 0.52 -4.86 -0.14 0.00 -0.61 0.00 0.00 39.78 34.68 1x4a n ASN 21 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1x4a s ASP 22 N -1.82 3.99 -0.04 6.41 1.01 -1.26 -4.94 116.67 120.03 1x4a s ASP 22 Ca 0.00 -0.40 0.13 0.00 0.71 0.00 0.00 52.55 53.00 1x4a s ASP 22 Cb 0.00 -1.64 0.24 0.00 1.01 0.00 0.00 42.92 42.53 1x4a s ASP 22 CO 0.00 0.07 1.11 0.00 0.21 0.00 0.00 175.17 176.57 1x4a s ARG 24 N -0.22 3.30 0.16 0.00 1.70 -1.26 -1.56 118.95 121.07 1x4a s ARG 24 Ca 0.17 -0.73 0.06 0.00 -0.47 0.00 0.00 55.73 54.76 1x4a s ARG 24 Cb 0.22 -2.56 -0.04 0.00 -0.57 0.00 0.00 34.95 31.99 1x4a s ARG 24 CO -0.08 0.19 0.06 0.96 -1.08 0.00 0.00 175.30 175.35 1x4a s ILE 25 N 0.39 4.10 -0.18 4.99 -4.36 0.98 -4.33 121.20 122.79 1x4a s ILE 25 Ca -0.12 -1.23 -0.03 0.00 -0.26 0.00 0.00 60.65 59.00 1x4a s ILE 25 Cb -0.16 -3.07 -0.02 0.00 1.25 0.00 0.00 42.46 40.46 1x4a s ILE 25 CO 0.06 -0.09 -0.05 -0.47 0.24 0.00 0.00 174.94 174.63 1x4a s TYR 26 N -1.71 2.97 -0.15 1.37 6.14 -0.46 -0.33 117.35 125.18 1x4a s TYR 26 Ca 0.29 -0.55 -0.07 0.00 0.64 0.00 0.00 57.07 57.38 1x4a s TYR 26 Cb -0.10 -2.00 -0.04 0.00 0.42 0.00 0.00 41.96 40.24 1x4a s TYR 26 CO 0.21 -0.24 0.08 0.08 0.64 0.00 0.00 175.55 176.32 1x4a s VAL 27 N 0.79 5.01 0.39 3.14 1.01 -0.47 -1.14 120.40 129.13 1x4a s VAL 27 Ca -0.02 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1x4a s VAL 27 Cb -0.15 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1x4a s VAL 27 CO 0.02 0.53 0.12 -0.83 0.00 0.00 0.00 175.10 174.94 1x4a s GLY 28 N -0.30 2.52 -1.21 4.51 0.00 0.75 -3.01 107.32 110.57 1x4a s GLY 28 Ca 0.09 -1.35 -0.08 0.00 0.00 0.00 0.00 44.72 43.39 1x4a s GLY 28 CO 0.01 -1.83 0.76 0.70 0.00 0.00 0.00 173.10 172.74 1x4a n ASN 29 N -1.20 -3.38 -4.95 1.64 4.13 -1.26 -0.33 115.26 109.91 1x4a n ASN 29 Ca -0.05 -0.87 -0.22 0.00 1.68 0.00 0.00 54.58 55.12 1x4a n ASN 29 Cb 0.65 -4.01 -0.02 0.00 -1.54 0.00 0.00 39.78 34.86 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 -6.40 4.27 0.82 3.41 1.43 -1.25 -3.84 118.68 117.12 1x4a s LEU 30 Ca 0.23 0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.26 1x4a s LEU 30 Cb -0.06 -2.82 0.08 0.00 0.03 0.00 0.00 46.19 43.42 1x4a s LEU 30 CO 0.82 -0.05 1.10 -2.16 0.23 0.00 0.00 176.35 176.29 1x4a s PRO 31 N -3.89 1.94 0.35 1.29 0.04 -1.26 -4.30 135.00 129.17 1x4a s PRO 31 Ca 0.34 0.58 0.18 0.00 0.04 0.00 0.00 61.00 62.14 1x4a s PRO 31 Cb -0.09 -1.91 0.49 0.00 0.04 0.00 0.00 34.50 33.04 1x4a s PRO 31 CO 0.29 -1.71 1.64 -1.00 0.04 0.00 0.00 177.00 176.26 1x4a h PRO 32 N -1.15 0.00 -1.83 0.56 0.13 -1.99 -3.22 132.00 124.50 1x4a h PRO 32 Ca -0.48 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.97 1x4a h PRO 32 Cb 1.28 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.06 1x4a h PRO 32 CO 0.60 0.40 0.15 -3.47 -0.23 0.00 0.00 178.00 175.45 1x4a n ASP 33 N -3.39 6.06 -4.94 1.44 2.03 -1.26 -5.02 116.55 111.48 1x4a n ASP 33 Ca 0.01 -3.77 -0.26 0.00 0.52 0.00 0.00 54.79 51.29 1x4a n ASP 33 Cb 0.58 -0.77 -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 -5.18 5.20 0.01 5.18 1.10 -1.22 -5.11 121.20 121.18 1x4a s ILE 34 Ca 0.49 -0.48 0.04 0.00 -0.51 0.00 0.00 60.65 60.19 1x4a s ILE 34 Cb 0.39 -3.77 -0.02 0.00 0.15 0.00 0.00 42.46 39.21 1x4a s ILE 34 CO -0.28 -0.26 -0.13 -0.13 -2.11 0.00 0.00 174.94 172.03 1x4a s ARG 35 N -3.59 0.96 0.65 3.50 1.81 -1.26 -5.01 118.95 116.02 1x4a s ARG 35 Ca 0.38 -0.59 0.38 0.00 -1.72 0.00 0.00 55.73 54.17 1x4a s ARG 35 Cb -0.10 -0.95 2.09 0.00 -0.45 0.00 0.00 34.95 35.55 1x4a s ARG 35 CO 0.30 0.25 2.23 1.15 -0.68 0.00 0.00 175.30 178.55 1x4a h THR 36 N 4.68 0.12 0.00 0.02 2.02 -1.99 -1.19 112.91 116.57 1x4a h THR 36 Ca -0.35 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1x4a h THR 36 Cb 1.17 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1x4a h THR 36 CO 0.47 0.00 -0.09 0.11 0.37 0.00 0.00 175.52 176.37 1x4a h LYS 37 N 0.00 0.00 -1.24 6.66 1.57 -1.97 -1.81 116.57 119.78 1x4a h LYS 37 Ca 0.01 0.00 0.38 0.00 -1.87 0.00 0.00 60.65 59.18 1x4a h LYS 37 Cb 0.22 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.41 1x4a h LYS 37 CO -0.00 0.00 0.80 -0.44 -0.57 0.00 0.00 179.45 179.24 1x4a h ASP 38 N -0.85 0.29 0.02 0.86 5.19 -1.88 1.64 116.42 121.68 1x4a h ASP 38 Ca 0.00 0.11 -0.25 0.00 -0.62 0.00 0.00 57.03 56.27 1x4a h ASP 38 Cb 0.09 0.09 0.02 0.00 0.18 0.00 0.00 39.33 39.71 1x4a h ASP 38 CO 0.00 -0.10 -1.00 0.40 -3.12 0.00 0.00 179.24 175.42 1x4a h ILE 39 N 0.17 1.30 0.85 0.35 2.04 -1.34 -3.07 117.51 117.81 1x4a h ILE 39 Ca 0.75 -2.25 -0.04 0.00 1.00 0.00 0.00 64.86 64.32 1x4a h ILE 39 Cb 2.26 2.46 0.01 0.00 -0.74 0.00 0.00 36.82 40.81 1x4a h ILE 39 CO -0.36 0.69 -0.41 -0.08 0.00 0.00 0.00 178.15 177.99 1x4a h GLU 40 N 0.30 -1.10 -0.79 2.37 4.81 0.31 -2.77 114.58 117.72 1x4a h GLU 40 Ca -0.13 0.07 0.15 0.00 -0.13 0.00 0.00 59.36 59.32 1x4a h GLU 40 Cb 1.67 0.25 -0.15 0.00 0.63 0.00 0.00 28.75 31.15 1x4a h GLU 40 CO 0.20 -0.73 -0.28 0.22 -0.73 0.00 0.00 179.01 177.69 1x4a h ASP 41 N -1.15 -1.00 -0.45 1.04 1.82 -0.31 1.59 116.42 117.96 1x4a h ASP 41 Ca -0.12 0.25 0.04 0.00 -0.39 0.00 0.00 57.03 56.82 1x4a h ASP 41 Cb 0.87 0.57 -0.06 0.00 0.68 0.00 0.00 39.33 41.39 1x4a h ASP 41 CO 0.19 -0.28 -0.37 0.58 -1.61 0.00 0.00 179.24 177.75 1x4a h VAL 42 N -0.05 0.00 0.00 2.25 2.07 -1.41 0.39 116.25 119.51 1x4a h VAL 42 Ca 0.34 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.81 1x4a h VAL 42 Cb 0.59 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1x4a h VAL 42 CO -0.83 0.00 -0.25 -0.26 0.02 0.00 0.00 177.57 176.25 1x4a h PHE 43 N -0.13 0.00 0.00 1.57 0.04 -0.69 -2.01 116.94 115.72 1x4a h PHE 43 Ca 0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1x4a h PHE 43 Cb 0.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1x4a h PHE 43 CO -0.84 0.25 0.10 -0.92 -0.60 0.00 0.00 178.31 176.31 1x4a h TYR 44 N 0.00 0.00 0.00 -0.55 5.03 0.65 0.21 116.97 122.31 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 0.47 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.75 1x4a h TYR 44 CO 0.00 0.00 0.00 0.36 -1.32 0.00 0.00 178.16 177.20 1x4a n LYS 45 N -2.38 0.09 -0.10 1.82 -0.00 -0.63 -3.18 118.16 113.79 1x4a n LYS 45 Ca -0.02 0.44 -0.12 0.00 -0.00 0.00 0.00 58.31 58.62 1x4a n LYS 45 Cb 0.13 -1.72 -0.04 0.00 -0.00 0.00 0.00 35.03 33.41 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 -1.90 0.03 0.00 5.58 4.01 0.73 -5.11 117.16 120.51 1x4a n TYR 46 Ca 0.01 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1x4a n TYR 46 Cb 0.13 -0.58 0.00 0.00 -0.31 0.00 0.00 39.34 38.57 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 3.63 3.40 2.72 0.00 -1.19 -5.11 105.19 110.06 1x4a n GLY 47 Ca -0.20 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.44 2.28 -0.07 4.61 0.00 -1.26 -4.52 121.76 121.36 1x4a s ALA 48 Ca 0.00 -1.77 0.01 0.00 0.00 0.00 0.00 51.96 50.20 1x4a s ALA 48 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1x4a s ALA 48 CO 0.00 0.09 -0.08 0.42 0.00 0.00 0.00 175.76 176.19 1x4a s ILE 49 N -2.86 3.62 -0.01 0.00 1.01 -1.26 -3.96 121.20 117.75 1x4a s ILE 49 Ca 0.26 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.44 1x4a s ILE 49 Cb -0.01 -2.48 -0.25 0.00 0.01 0.00 0.00 42.46 39.74 1x4a s ILE 49 CO 0.10 0.60 0.81 -0.09 0.00 0.00 0.00 174.94 176.35 1x4a h ARG 50 N 5.29 0.11 0.00 2.79 2.43 -1.01 -3.47 114.38 120.53 1x4a h ARG 50 Ca -0.48 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.50 1x4a h ARG 50 Cb 1.17 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1x4a h ARG 50 CO 0.52 0.86 0.00 -3.47 -1.51 0.00 0.00 179.97 176.38 1x4a n ASP 51 N -3.28 0.00 -3.88 -3.80 2.03 -1.24 -5.01 116.55 101.37 1x4a n ASP 51 Ca -0.15 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.90 1x4a n ASP 51 Cb 1.03 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 41.26 1x4a n ASP 51 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1x4a s ILE 52 N -2.00 0.92 -0.39 5.18 1.01 -1.26 -0.92 121.20 123.74 1x4a s ILE 52 Ca 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 60.65 60.31 1x4a s ILE 52 Cb 0.00 -0.96 0.04 0.00 0.01 0.00 0.00 42.46 41.54 1x4a s ILE 52 CO 0.00 0.35 0.24 -0.62 0.00 0.00 0.00 174.94 174.91 1x4a s ASP 53 N 1.75 5.81 -0.19 3.58 -1.08 0.53 -4.91 116.67 122.16 1x4a s ASP 53 Ca 0.05 -1.07 -0.04 0.00 -0.52 0.00 0.00 52.55 50.97 1x4a s ASP 53 Cb -0.13 -2.05 -0.02 0.00 -1.46 0.00 0.00 42.92 39.27 1x4a s ASP 53 CO -0.08 -0.43 -0.04 -0.22 0.52 0.00 0.00 175.17 174.92 1x4a s LEU 54 N 1.56 3.05 -0.05 -1.34 2.96 -1.26 0.18 118.68 123.78 1x4a s LEU 54 Ca 0.03 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1x4a s LEU 54 Cb -0.20 -1.76 -0.00 0.00 0.50 0.00 0.00 46.19 44.72 1x4a s LEU 54 CO 0.07 0.05 0.04 0.11 -1.32 0.00 0.00 176.35 175.30 1x4a h LYS 55 N 7.55 -0.02 -5.03 1.98 1.79 -1.62 -3.49 116.57 117.74 1x4a h LYS 55 Ca -0.36 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.12 1x4a h LYS 55 Cb 1.18 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.73 1x4a h LYS 55 CO 0.60 -0.01 -1.37 -1.71 -1.08 0.00 0.00 179.45 175.88 1x4a n ASN 56 N -3.39 -2.45 0.00 0.86 2.85 -1.25 -5.01 115.26 106.87 1x4a n ASN 56 Ca -0.00 1.42 0.00 0.00 -0.11 0.00 0.00 54.58 55.89 1x4a n ASN 56 Cb 0.01 -4.95 0.00 0.00 1.24 0.00 0.00 39.78 36.07 1x4a n ASN 56 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1x4a n ARG 57 N 1.82 0.00 -1.08 1.20 0.63 -1.26 -5.06 116.66 112.90 1x4a n ARG 57 Ca -0.32 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.25 1x4a n ARG 57 Cb 0.49 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.43 1x4a n ARG 57 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1x4a n ARG 58 N -0.23 0.00 0.00 -0.14 0.00 -1.26 -4.54 116.66 110.48 1x4a n ARG 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1x4a n ARG 58 Cb 0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 32.46 31.50 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 2.88 0.72 0.98 2.89 0.00 -1.26 -5.04 105.19 106.36 1x4a n GLY 59 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.85 3.79 -0.02 0.00 -1.26 -4.99 105.19 100.85 1x4a n GLY 60 Ca 0.00 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 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 1.32 0.01 1.61 0.04 -1.26 -4.90 135.00 131.82 1x4a s PRO 61 Ca 0.00 0.36 -0.30 0.00 0.04 0.00 0.00 61.00 61.10 1x4a s PRO 61 Cb 0.00 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 1x4a s PRO 61 CO 0.00 -2.09 1.18 -1.25 0.04 0.00 0.00 177.00 174.89 1x4a s PRO 62 N -5.25 4.41 0.14 0.56 0.04 -1.26 -4.85 135.00 128.79 1x4a s PRO 62 Ca 0.63 1.71 0.10 0.00 0.04 0.00 0.00 61.00 63.48 1x4a s PRO 62 Cb -0.15 -3.44 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 1x4a s PRO 62 CO 0.53 -0.31 -0.23 -0.59 0.04 0.00 0.00 177.00 176.44 1x4a s PHE 63 N 1.48 2.10 0.22 0.56 -0.71 -1.26 -3.84 117.98 116.53 1x4a s PHE 63 Ca 0.57 -0.40 -0.13 0.00 -1.04 0.00 0.00 56.93 55.93 1x4a s PHE 63 Cb -0.27 -1.10 0.00 0.00 -1.21 0.00 0.00 43.02 40.44 1x4a s PHE 63 CO 0.27 0.34 0.45 0.00 -1.34 0.00 0.00 175.22 174.94 1x4a s ALA 64 N -1.37 -0.33 -0.17 1.99 0.00 -1.16 -1.39 121.76 119.31 1x4a s ALA 64 Ca 0.14 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.35 1x4a s ALA 64 Cb -0.09 0.99 0.03 0.00 0.00 0.00 0.00 23.12 24.04 1x4a s ALA 64 CO 0.07 -0.81 -0.16 -0.06 0.00 0.00 0.00 175.76 174.80 1x4a s PHE 65 N -3.98 2.50 -0.21 0.00 0.08 0.47 -1.37 117.98 115.48 1x4a s PHE 65 Ca 0.19 -1.50 -0.12 0.00 0.12 0.00 0.00 56.93 55.62 1x4a s PHE 65 Cb 0.00 -1.75 -0.05 0.00 -0.57 0.00 0.00 43.02 40.66 1x4a s PHE 65 CO 0.05 -0.75 0.21 0.08 -0.10 0.00 0.00 175.22 174.72 1x4a s VAL 66 N 1.38 5.34 -0.02 -0.44 1.01 0.55 -0.35 120.40 127.86 1x4a s VAL 66 Ca 0.03 0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.35 1x4a s VAL 66 Cb -0.14 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1x4a s VAL 66 CO -0.11 0.36 -0.02 -0.70 0.00 0.00 0.00 175.10 174.64 1x4a s GLU 67 N 0.82 2.79 0.31 2.72 2.12 -0.09 -0.01 118.70 127.35 1x4a s GLU 67 Ca 0.11 -0.58 0.10 0.00 0.36 0.00 0.00 54.97 54.96 1x4a s GLU 67 Cb -0.13 -2.66 -0.05 0.00 0.26 0.00 0.00 34.13 31.55 1x4a s GLU 67 CO 0.03 0.64 -0.02 -0.06 -0.54 0.00 0.00 175.26 175.31 1x4a s PHE 68 N -1.00 2.54 0.10 5.30 0.40 -0.60 -0.41 117.98 124.31 1x4a s PHE 68 Ca 0.17 -0.37 0.19 0.00 -0.60 0.00 0.00 56.93 56.32 1x4a s PHE 68 Cb -0.11 -1.35 0.60 0.00 0.51 0.00 0.00 43.02 42.67 1x4a s PHE 68 CO 0.07 0.55 1.69 0.93 0.70 0.00 0.00 175.22 179.16 1x4a h GLU 69 N 1.89 0.00 -4.46 0.44 4.39 -1.89 -3.43 114.58 111.52 1x4a h GLU 69 Ca -0.43 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.08 1x4a h GLU 69 Cb 1.25 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.74 1x4a h GLU 69 CO 0.64 0.38 -0.69 -0.51 -1.16 0.00 0.00 179.01 177.66 1x4a s ASP 70 N -6.40 0.83 -0.00 1.42 1.11 -1.26 -5.07 116.67 107.31 1x4a s ASP 70 Ca 0.01 -0.93 -0.21 0.00 0.18 0.00 0.00 52.55 51.60 1x4a s ASP 70 Cb 0.10 0.13 -0.22 0.00 1.07 0.00 0.00 42.92 44.00 1x4a s ASP 70 CO 0.69 -0.48 1.12 1.55 1.18 0.00 0.00 175.17 179.23 1x4a h PRO 71 N 3.28 0.35 -1.27 8.23 0.13 -1.89 -1.98 132.00 138.85 1x4a h PRO 71 Ca -0.35 -0.34 0.39 0.00 -0.87 0.00 0.00 66.00 64.83 1x4a h PRO 71 Cb 1.16 0.09 -0.11 0.00 0.13 0.00 0.00 31.00 32.27 1x4a h PRO 71 CO 0.61 1.01 0.84 0.00 -0.23 0.00 0.00 178.00 180.23 1x4a h ARG 72 N -0.18 0.15 0.15 0.86 3.08 -1.98 0.72 114.38 117.19 1x4a h ARG 72 Ca -0.05 -0.01 -0.31 0.00 0.07 0.00 0.00 59.98 59.68 1x4a h ARG 72 Cb 1.15 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1x4a h ARG 72 CO 0.09 0.10 -1.57 -0.44 -1.07 0.00 0.00 179.97 177.09 1x4a h ASP 73 N 0.16 0.49 -0.82 7.04 3.32 -1.97 -1.03 116.42 123.60 1x4a h ASP 73 Ca 0.74 -0.90 0.16 0.00 0.02 0.00 0.00 57.03 57.05 1x4a h ASP 73 Cb 2.32 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 41.65 1x4a h ASP 73 CO -0.32 1.70 0.54 0.00 -1.72 0.00 0.00 179.24 179.44 1x4a h ALA 74 N 0.03 2.04 0.00 3.45 0.00 0.93 0.07 119.26 125.77 1x4a h ALA 74 Ca -0.32 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1x4a h ALA 74 Cb 1.92 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1x4a h ALA 74 CO 0.12 -0.26 -0.49 0.93 0.00 0.00 0.00 179.25 179.55 1x4a h GLU 75 N 0.51 0.00 -1.53 0.00 5.08 0.02 -3.19 114.58 115.47 1x4a h GLU 75 Ca 0.41 0.00 0.50 0.00 -1.00 0.00 0.00 59.36 59.27 1x4a h GLU 75 Cb 0.86 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.98 1x4a h GLU 75 CO -0.16 0.42 1.02 -0.44 -1.00 0.00 0.00 179.01 178.85 1x4a h ASP 76 N -1.00 0.15 0.22 1.42 3.32 -0.89 1.54 116.42 121.18 1x4a h ASP 76 Ca -0.09 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1x4a h ASP 76 Cb 0.67 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1x4a h ASP 76 CO -0.05 -0.19 -0.10 0.00 -1.72 0.00 0.00 179.24 177.17 1x4a h ALA 77 N 1.46 -0.60 -0.84 3.45 0.00 -1.11 -2.79 119.26 118.84 1x4a h ALA 77 Ca 0.89 -0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.96 1x4a h ALA 77 Cb 3.06 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 20.91 1x4a h ALA 77 CO -0.35 -0.57 0.58 -0.24 0.00 0.00 0.00 179.25 178.67 1x4a h VAL 78 N -0.49 0.63 0.00 0.00 3.04 -0.51 1.74 116.25 120.66 1x4a h VAL 78 Ca -0.03 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1x4a h VAL 78 Cb 0.22 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 29.95 1x4a h VAL 78 CO 0.05 0.03 0.00 -1.22 -1.01 0.00 0.00 177.57 175.42 1x4a n TYR 79 N -4.38 0.26 0.00 3.17 4.02 0.49 -2.90 117.16 117.82 1x4a n TYR 79 Ca 0.17 0.10 0.00 0.00 -0.01 0.00 0.00 57.90 58.17 1x4a n TYR 79 Cb 0.80 -0.67 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 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 -0.16 0.03 0.33 2.72 0.00 0.50 -4.83 105.19 103.78 1x4a n GLY 80 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.51 -0.08 -1.50 1.61 5.12 0.39 -4.25 116.66 115.44 1x4a n ARG 81 Ca 0.00 1.42 -0.39 0.00 -1.93 0.00 0.00 57.85 56.95 1x4a n ARG 81 Cb 0.00 -2.18 -0.15 0.00 -1.16 0.00 0.00 32.46 28.96 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 -5.44 0.18 0.00 0.55 -0.08 -1.14 0.46 116.55 111.07 1x4a n ASP 82 Ca 0.18 0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 1x4a n ASP 82 Cb 0.58 -0.90 0.00 0.00 2.34 0.00 0.00 41.12 43.14 1x4a n ASP 82 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x4a n GLY 83 N 6.40 0.98 3.94 0.27 0.00 -1.12 -4.87 105.19 110.79 1x4a n GLY 83 Ca 0.66 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.94 3.03 -0.31 1.61 5.04 0.17 -4.88 117.35 120.07 1x4a s TYR 84 Ca 0.00 0.31 0.03 0.00 -2.44 0.00 0.00 57.07 54.97 1x4a s TYR 84 Cb 0.00 -2.81 0.09 0.00 0.35 0.00 0.00 41.96 39.59 1x4a s TYR 84 CO 0.00 -0.94 0.01 -0.51 -1.34 0.00 0.00 175.55 172.78 1x4a s ASP 85 N -4.39 4.53 -0.74 4.32 1.11 -1.26 -1.65 116.67 118.58 1x4a s ASP 85 Ca 0.56 -1.85 -0.16 0.00 0.18 0.00 0.00 52.55 51.29 1x4a s ASP 85 Cb -0.10 -1.48 0.17 0.00 1.07 0.00 0.00 42.92 42.58 1x4a s ASP 85 CO 0.42 -0.33 0.73 -0.47 1.18 0.00 0.00 175.17 176.70 1x4a s TYR 86 N 1.07 3.48 -1.43 4.23 6.14 0.85 -4.46 117.35 127.24 1x4a s TYR 86 Ca 0.05 -1.63 -0.10 0.00 0.64 0.00 0.00 57.07 56.03 1x4a s TYR 86 Cb -0.19 -3.89 0.06 0.00 0.42 0.00 0.00 41.96 38.37 1x4a s TYR 86 CO -0.09 -1.08 0.68 -3.47 0.64 0.00 0.00 175.55 172.22 1x4a n ASP 87 N 4.83 -4.66 0.00 4.32 2.03 -1.26 -0.19 116.55 121.62 1x4a n ASP 87 Ca 0.05 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.87 1x4a n ASP 87 Cb 0.45 -3.78 0.00 0.00 -0.72 0.00 0.00 41.12 37.07 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 -1.42 3.07 3.59 0.27 0.00 -1.26 -5.01 105.19 104.43 1x4a n GLY 88 Ca -0.02 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.27 1.90 0.27 1.61 2.02 0.73 -4.96 117.35 117.64 1x4a s TYR 89 Ca 0.00 0.65 -0.29 0.00 -0.37 0.00 0.00 57.07 57.05 1x4a s TYR 89 Cb 0.00 -4.16 -0.09 0.00 -0.40 0.00 0.00 41.96 37.31 1x4a s TYR 89 CO 0.00 -2.72 1.15 -0.98 -1.57 0.00 0.00 175.55 171.43 1x4a s ARG 90 N 5.66 4.57 0.17 -0.62 1.70 -1.26 -0.10 118.95 129.07 1x4a s ARG 90 Ca 0.75 1.87 0.06 0.00 -0.47 0.00 0.00 55.73 57.94 1x4a s ARG 90 Cb -0.20 -3.19 -0.04 0.00 -0.57 0.00 0.00 34.95 30.96 1x4a s ARG 90 CO 0.32 0.09 0.07 -0.51 -1.08 0.00 0.00 175.30 174.20 1x4a s LEU 91 N -1.22 3.58 -0.36 -1.89 1.43 -0.66 -4.48 118.68 115.08 1x4a s LEU 91 Ca 0.47 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1x4a s LEU 91 Cb -0.33 -2.22 0.11 0.00 0.03 0.00 0.00 46.19 43.78 1x4a s LEU 91 CO 0.42 0.08 0.11 -0.60 0.23 0.00 0.00 176.35 176.59 1x4a s ARG 92 N -3.01 1.21 -0.13 1.70 3.52 0.56 -2.79 118.95 120.00 1x4a s ARG 92 Ca 0.29 -1.66 -0.17 0.00 -0.13 0.00 0.00 55.73 54.07 1x4a s ARG 92 Cb -0.10 -2.64 -0.04 0.00 -1.56 0.00 0.00 34.95 30.61 1x4a s ARG 92 CO 0.21 -1.00 0.43 0.08 -0.81 0.00 0.00 175.30 174.21 1x4a s VAL 93 N 0.99 5.21 -0.15 7.11 1.01 -1.26 -0.18 120.40 133.14 1x4a s VAL 93 Ca 0.12 0.85 -0.25 0.00 0.00 0.00 0.00 61.98 62.70 1x4a s VAL 93 Cb -0.20 -3.77 0.06 0.00 0.00 0.00 0.00 36.38 32.47 1x4a s VAL 93 CO -0.13 0.33 0.63 -1.83 0.00 0.00 0.00 175.10 174.11 1x4a s GLU 94 N 0.66 0.87 0.55 2.72 -1.05 -0.29 -4.56 118.70 117.60 1x4a s GLU 94 Ca 0.23 0.56 -0.19 0.00 -0.15 0.00 0.00 54.97 55.42 1x4a s GLU 94 Cb -0.15 0.42 -0.05 0.00 -0.44 0.00 0.00 34.13 33.90 1x4a s GLU 94 CO 0.09 -0.19 1.13 -0.06 0.95 0.00 0.00 175.26 177.18 1x4a s PHE 95 N -0.40 2.65 -0.06 4.83 0.40 -1.26 -1.36 117.98 122.78 1x4a s PHE 95 Ca -0.05 1.54 -0.26 0.00 -0.60 0.00 0.00 56.93 57.56 1x4a s PHE 95 Cb -0.03 -3.29 -0.23 0.00 0.51 0.00 0.00 43.02 39.98 1x4a s PHE 95 CO 0.05 -1.61 1.04 -1.00 0.70 0.00 0.00 175.22 174.39 1x4a h PRO 96 N 1.12 0.09 0.00 0.24 0.13 -1.94 -3.42 132.00 128.22 1x4a h PRO 96 Ca -0.50 -0.09 -0.10 0.00 -0.87 0.00 0.00 66.00 64.45 1x4a h PRO 96 Cb 1.26 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1x4a h PRO 96 CO 0.57 0.82 -1.21 -2.13 -0.23 0.00 0.00 178.00 175.82 1x4a n ARG 97 N -4.63 0.46 -1.32 0.86 3.00 -1.26 -5.12 116.66 108.66 1x4a n ARG 97 Ca -0.09 0.19 0.11 0.00 -0.00 0.00 0.00 57.85 58.05 1x4a n ARG 97 Cb 0.43 -1.30 -0.06 0.00 0.00 0.00 0.00 32.46 31.53 1x4a n ARG 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1x4a n SER 98 N -4.25 -7.12 0.00 6.15 2.88 -1.26 -5.06 113.62 104.96 1x4a n SER 98 Ca -0.20 1.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1x4a n SER 98 Cb 0.54 -4.41 0.00 0.00 -0.75 0.00 0.00 64.21 59.59 1x4a n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4a n GLY 99 N -3.59 0.18 5.13 0.46 0.00 -1.26 -5.01 105.19 101.10 1x4a n GLY 99 Ca -0.06 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.66 1x4a n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4a n ARG 100 N -0.05 0.00 0.00 1.61 1.74 -1.26 -4.79 116.66 113.91 1x4a n ARG 100 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1x4a n ARG 100 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1x4a n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x4a n GLY 101 N 0.00 2.89 3.86 -0.13 0.00 -1.26 -5.07 105.19 105.49 1x4a n GLY 101 Ca 0.00 -2.03 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 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 -2.64 5.22 0.00 2.61 -1.32 -1.26 -4.98 115.64 113.28 1x4a s THR 102 Ca 0.00 0.51 0.00 0.00 -1.21 0.00 0.00 61.69 60.99 1x4a s THR 102 Cb 0.00 -3.59 0.00 0.00 -1.51 0.00 0.00 72.50 67.40 1x4a s THR 102 CO 0.00 0.53 0.00 0.61 -2.21 0.00 0.00 174.62 173.55 1x4a n GLY 103 N 1.68 2.01 3.25 6.08 0.00 -1.26 -5.02 105.19 111.92 1x4a n GLY 103 Ca -0.15 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 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 0.00 3.51 0.00 1.61 1.04 -1.26 -5.00 113.70 113.60 1x4a s SER 104 Ca 0.00 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1x4a s SER 104 Cb 0.00 -1.53 0.00 0.00 0.10 0.00 0.00 66.02 64.59 1x4a s SER 104 CO 0.00 0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1x4a n GLY 105 N 3.97 1.43 3.81 7.32 0.00 -1.26 -5.15 105.19 115.30 1x4a n GLY 105 Ca -0.19 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 3.51 -0.24 1.61 0.04 -1.26 -5.05 135.00 133.61 1x4a s PRO 106 Ca 0.00 1.22 -0.00 0.00 0.04 0.00 0.00 61.00 62.26 1x4a s PRO 106 Cb 0.00 -2.06 0.07 0.00 0.04 0.00 0.00 34.50 32.55 1x4a s PRO 106 CO 0.00 -0.66 -0.01 -1.12 0.04 0.00 0.00 177.00 175.25 1x4a s SER 107 N -2.60 3.69 0.41 6.66 0.01 -1.26 -4.90 113.70 115.71 1x4a s SER 107 Ca 0.64 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1x4a s SER 107 Cb -0.15 -1.03 0.00 0.00 0.21 0.00 0.00 66.02 65.05 1x4a s SER 107 CO 0.32 -0.28 0.00 -0.24 0.41 0.00 0.00 173.24 173.45 1x4a n SER 108 N 4.76 -2.97 0.00 2.44 2.88 -1.26 -5.35 113.62 114.12 1x4a n SER 108 Ca -0.09 0.78 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 1x4a n SER 108 Cb 0.44 2.83 0.00 0.00 -0.75 0.00 0.00 64.21 66.74 1x4a n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42