#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 -2.67 -3.72 1.61 3.41 -1.26 -5.16 113.62 105.83 1x4a n SER 2 Ca 0.00 0.69 -0.10 0.00 -0.26 0.00 0.00 58.87 59.21 1x4a n SER 2 Cb 0.00 2.64 -0.03 0.00 -0.26 0.00 0.00 64.21 66.56 1x4a n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x4a s SER 3 N -2.00 -0.30 -0.06 4.04 0.15 -1.26 -5.18 113.70 109.10 1x4a s SER 3 Ca 0.00 -0.44 -0.21 0.00 0.70 0.00 0.00 55.95 56.00 1x4a s SER 3 Cb 0.00 0.60 0.07 0.00 -1.71 0.00 0.00 66.02 64.98 1x4a s SER 3 CO 0.00 -1.08 0.92 0.61 1.20 0.00 0.00 173.24 174.89 1x4a n GLY 4 N -0.36 0.21 3.35 9.45 0.00 -1.26 -5.18 105.19 111.40 1x4a n GLY 4 Ca -0.10 -0.95 -0.18 0.00 0.00 0.00 0.00 46.02 44.79 1x4a n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4a s SER 5 N -3.01 1.54 0.42 1.61 0.15 -1.26 -5.17 113.70 107.97 1x4a s SER 5 Ca 0.22 -1.37 0.07 0.00 0.70 0.00 0.00 55.95 55.57 1x4a s SER 5 Cb -0.00 0.09 -0.05 0.00 -1.71 0.00 0.00 66.02 64.35 1x4a s SER 5 CO -0.02 -0.69 0.17 -0.55 1.20 0.00 0.00 173.24 173.36 1x4a s SER 6 N -3.36 4.39 0.00 5.45 0.15 -1.26 -5.12 113.70 113.95 1x4a s SER 6 Ca 0.37 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 55.91 1x4a s SER 6 Cb 0.08 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 1x4a s SER 6 CO 0.14 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.63 1x4a n GLY 7 N -1.23 2.65 2.53 9.45 0.00 -1.26 -5.04 105.19 112.29 1x4a n GLY 7 Ca -0.02 0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1x4a n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1x4a s MET 8 N -0.43 0.63 -0.03 1.61 0.00 -1.26 -4.99 119.30 114.82 1x4a s MET 8 Ca 0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 55.69 54.35 1x4a s MET 8 Cb 0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 34.83 33.33 1x4a s MET 8 CO 0.00 -1.16 -0.07 0.43 0.00 0.00 0.00 175.02 174.22 1x4a n SER 9 N 4.18 0.38 -0.52 -1.18 7.64 -1.26 -5.13 113.62 117.73 1x4a n SER 9 Ca 0.08 0.09 0.03 0.00 1.01 0.00 0.00 58.87 60.08 1x4a n SER 9 Cb 0.38 -0.55 -0.02 0.00 -1.01 0.00 0.00 64.21 63.01 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 1.51 -3.07 0.00 0.23 0.00 -1.26 -5.05 105.19 97.56 1x4a n GLY 10 Ca -0.03 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.34 0.54 0.00 -0.02 0.00 -1.26 -4.87 105.19 97.24 1x4a n GLY 11 Ca -0.02 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 2.67 3.54 -0.02 0.00 -1.26 -5.09 105.19 105.03 1x4a n GLY 12 Ca 0.00 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.00 4.96 0.56 1.61 0.11 -1.26 -5.05 120.40 119.33 1x4a s VAL 13 Ca 0.00 0.26 -0.15 0.00 -2.93 0.00 0.00 61.98 59.15 1x4a s VAL 13 Cb 0.00 -4.04 -0.06 0.00 -1.53 0.00 0.00 36.38 30.75 1x4a s VAL 13 CO 0.00 -0.34 1.02 -0.51 -3.33 0.00 0.00 175.10 171.94 1x4a s ILE 14 N 2.52 4.27 0.56 7.04 2.07 -1.26 -4.84 121.20 131.56 1x4a s ILE 14 Ca 0.20 1.03 0.00 0.00 -1.41 0.00 0.00 60.65 60.47 1x4a s ILE 14 Cb -0.15 -3.60 0.00 0.00 0.13 0.00 0.00 42.46 38.84 1x4a s ILE 14 CO 0.15 -0.68 0.00 0.54 -1.91 0.00 0.00 174.94 173.04 1x4a n ARG 15 N -1.92 -4.28 -3.59 3.50 1.74 -1.26 -5.09 116.66 105.76 1x4a n ARG 15 Ca 0.07 3.26 -0.04 0.00 -0.77 0.00 0.00 57.85 60.37 1x4a n ARG 15 Cb 0.54 -3.88 -0.02 0.00 -1.02 0.00 0.00 32.46 28.08 1x4a n ARG 15 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1x4a s GLY 16 N -4.48 -0.34 -0.07 -0.13 0.00 -1.26 -5.00 107.32 96.03 1x4a s GLY 16 Ca 0.00 1.28 -0.19 0.00 0.00 0.00 0.00 44.72 45.81 1x4a s GLY 16 CO 0.00 0.41 0.73 -0.56 0.00 0.00 0.00 173.10 173.68 1x4a h PRO 17 N 2.00 -0.15 -2.26 2.90 0.13 -1.95 -3.50 132.00 129.16 1x4a h PRO 17 Ca -0.15 0.01 0.23 0.00 -0.87 0.00 0.00 66.00 65.22 1x4a h PRO 17 Cb 1.19 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 1x4a h PRO 17 CO 0.25 0.31 -0.77 0.00 -0.23 0.00 0.00 178.00 177.55 1x4a n ALA 18 N -2.61 -2.47 -0.99 -0.56 0.00 -1.26 -5.06 120.51 107.56 1x4a n ALA 18 Ca -0.07 0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1x4a n ALA 18 Cb 0.26 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -3.57 -1.88 2.76 0.00 0.00 -1.26 -4.93 105.19 96.30 1x4a n GLY 19 Ca -0.05 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 1x4a n GLY 19 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x4a n ASN 20 N 0.00 -5.53 -3.85 1.61 4.13 -1.26 -5.05 115.26 105.31 1x4a n ASN 20 Ca 0.00 1.28 -0.12 0.00 1.68 0.00 0.00 54.58 57.42 1x4a n ASN 20 Cb 0.00 -4.73 -0.14 0.00 -1.54 0.00 0.00 39.78 33.37 1x4a n ASN 20 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1x4a s ASN 21 N -1.19 -0.03 -0.02 6.41 2.20 -1.26 -5.15 114.94 115.90 1x4a s ASN 21 Ca -0.09 0.06 -0.30 0.00 -0.94 0.00 0.00 52.86 51.59 1x4a s ASN 21 Cb 0.01 0.05 0.12 0.00 -2.00 0.00 0.00 41.25 39.42 1x4a s ASN 21 CO 0.67 -0.02 1.21 -1.81 -2.94 0.00 0.00 177.10 174.21 1x4a s ASP 22 N 0.08 -0.10 0.00 3.54 1.01 -1.26 -4.99 116.67 114.95 1x4a s ASP 22 Ca -0.01 -0.14 0.00 0.00 0.71 0.00 0.00 52.55 53.11 1x4a s ASP 22 Cb -0.01 0.21 0.00 0.00 1.01 0.00 0.00 42.92 44.14 1x4a s ASP 22 CO -0.00 -0.39 0.00 0.00 0.21 0.00 0.00 175.17 174.99 1x4a s ARG 24 N 0.00 3.91 0.18 0.00 0.52 -1.26 -1.37 118.95 120.94 1x4a s ARG 24 Ca 0.00 0.63 0.10 0.00 -0.52 0.00 0.00 55.73 55.95 1x4a s ARG 24 Cb 0.00 -3.76 -0.04 0.00 0.52 0.00 0.00 34.95 31.66 1x4a s ARG 24 CO 0.00 -0.83 -0.18 0.96 0.02 0.00 0.00 175.30 175.27 1x4a s ILE 25 N 3.27 2.73 -0.15 1.52 -4.36 -0.16 -4.59 121.20 119.46 1x4a s ILE 25 Ca 0.36 -1.83 -0.03 0.00 -0.26 0.00 0.00 60.65 58.90 1x4a s ILE 25 Cb -0.13 -2.32 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 1x4a s ILE 25 CO 0.16 -0.09 -0.07 -0.47 0.24 0.00 0.00 174.94 174.71 1x4a s TYR 26 N -1.62 2.96 -0.15 1.37 6.14 -0.94 -0.95 117.35 124.15 1x4a s TYR 26 Ca 0.22 -0.43 -0.01 0.00 0.64 0.00 0.00 57.07 57.48 1x4a s TYR 26 Cb -0.09 -1.93 -0.01 0.00 0.42 0.00 0.00 41.96 40.35 1x4a s TYR 26 CO 0.12 -0.11 -0.11 0.08 0.64 0.00 0.00 175.55 176.16 1x4a s VAL 27 N 0.41 3.11 0.21 3.14 1.01 -0.57 -1.47 120.40 126.25 1x4a s VAL 27 Ca -0.06 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1x4a s VAL 27 Cb -0.15 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 1x4a s VAL 27 CO 0.04 0.50 0.04 0.61 0.00 0.00 0.00 175.10 176.29 1x4a n GLY 28 N 3.87 3.77 3.70 4.51 0.00 0.94 -2.59 105.19 119.38 1x4a n GLY 28 Ca -0.18 -2.11 -0.23 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.57 -2.25 -4.96 1.61 4.13 -1.26 -0.77 115.26 110.19 1x4a n ASN 29 Ca -0.05 -0.87 -0.22 0.00 1.68 0.00 0.00 54.58 55.11 1x4a n ASN 29 Cb 0.29 -3.88 -0.02 0.00 -1.54 0.00 0.00 39.78 34.63 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 -6.57 4.25 0.85 3.41 1.43 -1.24 -3.68 118.68 117.12 1x4a s LEU 30 Ca 0.13 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.29 1x4a s LEU 30 Cb -0.04 -2.98 0.10 0.00 0.03 0.00 0.00 46.19 43.31 1x4a s LEU 30 CO 0.83 -0.10 1.12 -2.16 0.23 0.00 0.00 176.35 176.26 1x4a s PRO 31 N -3.93 1.65 0.22 1.29 0.04 -1.26 -4.24 135.00 128.75 1x4a s PRO 31 Ca 0.36 0.48 0.09 0.00 0.04 0.00 0.00 61.00 61.96 1x4a s PRO 31 Cb -0.09 -1.88 0.15 0.00 0.04 0.00 0.00 34.50 32.71 1x4a s PRO 31 CO 0.30 -1.89 1.49 -1.00 0.04 0.00 0.00 177.00 175.94 1x4a h PRO 32 N -1.28 0.01 -1.77 0.56 0.13 -1.99 -3.21 132.00 124.45 1x4a h PRO 32 Ca -0.49 -0.01 -0.72 0.00 -0.87 0.00 0.00 66.00 63.91 1x4a h PRO 32 Cb 1.30 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.13 1x4a h PRO 32 CO 0.60 0.76 0.69 -3.47 -0.23 0.00 0.00 178.00 176.36 1x4a n ASP 33 N -3.65 7.00 -4.93 1.44 2.03 -1.26 -4.99 116.55 112.20 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 0.73 -0.94 -0.03 0.00 -0.72 0.00 0.00 41.12 40.17 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 -5.12 5.17 -0.02 5.18 1.10 -1.22 -5.11 121.20 121.18 1x4a s ILE 34 Ca 0.53 -0.35 0.03 0.00 -0.51 0.00 0.00 60.65 60.35 1x4a s ILE 34 Cb 0.44 -3.76 -0.00 0.00 0.15 0.00 0.00 42.46 39.29 1x4a s ILE 34 CO -0.32 -0.25 -0.11 -0.13 -2.11 0.00 0.00 174.94 172.01 1x4a s ARG 35 N -3.52 1.09 0.43 3.50 1.81 -1.26 -5.02 118.95 115.98 1x4a s ARG 35 Ca 0.39 -0.39 0.19 0.00 -1.72 0.00 0.00 55.73 54.20 1x4a s ARG 35 Cb -0.11 -1.01 1.11 0.00 -0.45 0.00 0.00 34.95 34.49 1x4a s ARG 35 CO 0.30 0.18 1.85 1.15 -0.68 0.00 0.00 175.30 178.10 1x4a h THR 36 N 5.21 0.66 0.10 0.02 2.02 -1.99 0.23 112.91 119.16 1x4a h THR 36 Ca -0.33 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 1x4a h THR 36 Cb 1.17 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1x4a h THR 36 CO 0.49 0.07 -0.05 0.50 0.37 0.00 0.00 175.52 176.90 1x4a h LYS 37 N 0.38 -0.13 -0.97 6.66 1.63 -1.98 -1.32 116.57 120.83 1x4a h LYS 37 Ca 0.47 0.01 0.19 0.00 -0.85 0.00 0.00 60.65 60.48 1x4a h LYS 37 Cb 1.22 0.03 -0.09 0.00 -0.60 0.00 0.00 32.23 32.79 1x4a h LYS 37 CO -0.17 0.38 0.61 -0.44 -3.45 0.00 0.00 179.45 176.38 1x4a h ASP 38 N -0.75 0.65 0.99 4.20 5.19 -1.55 1.23 116.42 126.38 1x4a h ASP 38 Ca -0.01 0.07 -0.08 0.00 -0.62 0.00 0.00 57.03 56.39 1x4a h ASP 38 Cb 0.56 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 1x4a h ASP 38 CO 0.02 0.24 -0.37 0.40 -3.12 0.00 0.00 179.24 176.42 1x4a h ILE 39 N 0.64 0.80 0.05 0.35 2.04 -0.57 -3.02 117.51 117.81 1x4a h ILE 39 Ca 0.54 -1.56 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 1x4a h ILE 39 Cb 1.00 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1x4a h ILE 39 CO -0.30 0.36 -0.02 -0.08 0.00 0.00 0.00 178.15 178.11 1x4a h GLU 40 N 0.00 -0.06 -1.82 2.37 4.81 0.26 -3.10 114.58 117.04 1x4a h GLU 40 Ca -0.00 0.00 0.53 0.00 -0.13 0.00 0.00 59.36 59.76 1x4a h GLU 40 Cb 0.96 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.28 1x4a h GLU 40 CO 0.05 -0.04 1.35 0.22 -0.73 0.00 0.00 179.01 179.86 1x4a h ASP 41 N -0.17 0.00 0.43 1.04 3.58 -0.86 1.24 116.42 121.67 1x4a h ASP 41 Ca -0.01 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1x4a h ASP 41 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1x4a h ASP 41 CO 0.01 0.00 -0.21 0.58 -2.88 0.00 0.00 179.24 176.75 1x4a h VAL 42 N 0.00 0.00 0.00 2.25 2.07 -1.54 -2.99 116.25 116.04 1x4a h VAL 42 Ca 0.86 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 68.37 1x4a h VAL 42 Cb 3.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1x4a h VAL 42 CO -0.01 0.00 0.00 -0.26 0.02 0.00 0.00 177.57 177.32 1x4a h PHE 43 N -0.58 0.00 0.00 1.57 -1.00 -0.20 -2.89 116.94 113.83 1x4a h PHE 43 Ca -0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.72 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 0.13 0.00 0.09 -0.92 -1.61 0.00 0.00 178.31 176.00 1x4a h TYR 44 N 0.00 0.00 0.00 -0.55 3.20 0.14 0.53 116.97 120.30 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 0.58 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1x4a h TYR 44 CO 0.00 0.00 0.00 0.36 -1.64 0.00 0.00 178.16 176.88 1x4a n LYS 45 N -2.42 0.15 -1.00 1.82 -0.00 -1.09 -2.38 118.16 113.24 1x4a n LYS 45 Ca -0.02 0.28 -0.11 0.00 -0.00 0.00 0.00 58.31 58.47 1x4a n LYS 45 Cb 0.13 -1.74 0.23 0.00 -0.00 0.00 0.00 35.03 33.66 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 -2.01 2.22 0.00 5.58 4.02 0.19 -5.02 117.16 122.13 1x4a n TYR 46 Ca 0.04 -1.50 0.00 0.00 -0.01 0.00 0.00 57.90 56.43 1x4a n TYR 46 Cb 0.28 -0.70 0.00 0.00 -0.02 0.00 0.00 39.34 38.90 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 -0.77 0.32 3.09 2.72 0.00 -1.00 -4.87 105.19 104.68 1x4a n GLY 47 Ca 0.44 -1.15 -0.07 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 -1.87 0.54 -0.09 4.61 0.00 -1.26 -4.71 121.76 118.98 1x4a s ALA 48 Ca 0.00 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 50.78 1x4a s ALA 48 Cb 0.00 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 1x4a s ALA 48 CO 0.00 -0.35 -0.14 0.42 0.00 0.00 0.00 175.76 175.69 1x4a s ILE 49 N -3.80 3.07 -0.06 0.00 1.01 -1.26 -3.65 121.20 116.51 1x4a s ILE 49 Ca 0.07 -0.69 -0.27 0.00 0.00 0.00 0.00 60.65 59.76 1x4a s ILE 49 Cb 0.07 -2.24 -0.22 0.00 0.01 0.00 0.00 42.46 40.08 1x4a s ILE 49 CO -0.09 0.56 1.11 -0.09 0.00 0.00 0.00 174.94 176.43 1x4a h ARG 50 N 5.99 0.01 -1.92 2.79 2.43 0.95 -3.48 114.38 121.14 1x4a h ARG 50 Ca -0.37 -0.01 0.18 0.00 -0.81 0.00 0.00 59.98 58.98 1x4a h ARG 50 Cb 1.18 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 30.57 1x4a h ARG 50 CO 0.53 0.66 0.64 0.34 -1.51 0.00 0.00 179.97 180.62 1x4a s ASP 51 N -5.88 -0.25 -0.03 -3.80 2.15 -1.20 -4.99 116.67 102.68 1x4a s ASP 51 Ca -0.17 -0.03 0.02 0.00 0.43 0.00 0.00 52.55 52.80 1x4a s ASP 51 Cb 0.00 0.28 0.01 0.00 -0.30 0.00 0.00 42.92 42.91 1x4a s ASP 51 CO 0.68 -0.47 -0.08 -0.63 -0.17 0.00 0.00 175.17 174.50 1x4a s ILE 52 N -2.82 0.74 -0.37 4.11 1.01 -1.26 -0.60 121.20 122.00 1x4a s ILE 52 Ca 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 1x4a s ILE 52 Cb -0.01 -0.67 0.10 0.00 0.01 0.00 0.00 42.46 41.88 1x4a s ILE 52 CO -0.06 0.24 0.14 -1.81 0.00 0.00 0.00 174.94 173.44 1x4a s ASP 53 N 0.32 5.10 -0.38 3.58 1.11 -0.39 -4.95 116.67 121.07 1x4a s ASP 53 Ca -0.05 -1.90 -0.22 0.00 0.18 0.00 0.00 52.55 50.56 1x4a s ASP 53 Cb -0.10 -1.77 0.01 0.00 1.07 0.00 0.00 42.92 42.13 1x4a s ASP 53 CO 0.01 -0.46 0.71 -0.22 1.18 0.00 0.00 175.17 176.39 1x4a s LEU 54 N 1.12 4.23 0.00 1.23 0.20 -1.26 -1.56 118.68 122.64 1x4a s LEU 54 Ca 0.06 0.15 0.00 0.00 0.69 0.00 0.00 54.13 55.03 1x4a s LEU 54 Cb -0.21 -2.89 0.00 0.00 -0.43 0.00 0.00 46.19 42.65 1x4a s LEU 54 CO -0.04 -0.70 0.05 0.29 -0.29 0.00 0.00 176.35 175.65 1x4a n LYS 55 N 6.29 0.00 -1.19 1.98 4.01 -0.26 -5.00 118.16 123.99 1x4a n LYS 55 Ca 0.01 0.10 0.13 0.00 -0.51 0.00 0.00 58.31 58.04 1x4a n LYS 55 Cb 0.48 -0.64 -0.05 0.00 -0.51 0.00 0.00 35.03 34.32 1x4a n LYS 55 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1x4a n ASN 56 N -0.79 -6.29 -1.21 4.39 0.23 -1.23 -4.97 115.26 105.39 1x4a n ASN 56 Ca 0.00 0.74 0.00 0.00 -0.53 0.00 0.00 54.58 54.79 1x4a n ASN 56 Cb 0.00 -3.81 0.00 0.00 -2.08 0.00 0.00 39.78 33.89 1x4a n ASN 56 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1x4a n ARG 57 N -3.66 0.00 -3.60 -3.83 0.63 -1.26 -4.99 116.66 99.95 1x4a n ARG 57 Ca -0.03 0.23 -0.03 0.00 -0.92 0.00 0.00 57.85 57.10 1x4a n ARG 57 Cb 0.63 -1.21 -0.02 0.00 0.45 0.00 0.00 32.46 32.32 1x4a n ARG 57 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1x4a s ARG 58 N -2.81 0.44 -0.97 -0.14 3.52 -1.26 -5.07 118.95 112.65 1x4a s ARG 58 Ca 0.00 -0.20 -0.24 0.00 -0.13 0.00 0.00 55.73 55.16 1x4a s ARG 58 Cb 0.00 0.18 -0.06 0.00 -1.56 0.00 0.00 34.95 33.50 1x4a s ARG 58 CO 0.00 -0.20 1.97 0.20 -0.81 0.00 0.00 175.30 176.46 1x4a s GLY 59 N -2.49 0.11 0.00 8.12 0.00 -1.26 -4.70 107.32 107.10 1x4a s GLY 59 Ca 0.10 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.19 1x4a s GLY 59 CO -0.04 3.55 0.00 0.61 0.00 0.00 0.00 173.10 177.22 1x4a n GLY 60 N 6.58 -0.52 3.81 0.20 0.00 -1.26 -5.14 105.19 108.86 1x4a n GLY 60 Ca 0.42 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.00 3.42 0.07 1.61 0.04 -1.26 -4.95 135.00 131.93 1x4a s PRO 61 Ca 0.00 1.18 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 1x4a s PRO 61 Cb 0.00 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 1x4a s PRO 61 CO 0.00 -0.72 1.16 -1.25 0.04 0.00 0.00 177.00 176.23 1x4a s PRO 62 N -4.04 4.47 0.23 0.56 0.04 -1.26 -4.86 135.00 130.14 1x4a s PRO 62 Ca 0.63 1.72 0.11 0.00 0.04 0.00 0.00 61.00 63.50 1x4a s PRO 62 Cb -0.15 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 1x4a s PRO 62 CO 0.35 -0.19 -0.21 -0.59 0.04 0.00 0.00 177.00 176.41 1x4a s PHE 63 N 0.87 2.19 0.17 0.56 -0.71 -1.26 -3.73 117.98 116.07 1x4a s PHE 63 Ca 0.57 -0.38 -0.23 0.00 -1.04 0.00 0.00 56.93 55.85 1x4a s PHE 63 Cb -0.28 -1.01 0.07 0.00 -1.21 0.00 0.00 43.02 40.58 1x4a s PHE 63 CO 0.30 0.57 0.61 0.00 -1.34 0.00 0.00 175.22 175.36 1x4a s ALA 64 N -2.21 -1.55 -0.13 1.99 0.00 -1.07 -1.10 121.76 117.68 1x4a s ALA 64 Ca 0.25 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.63 1x4a s ALA 64 Cb -0.06 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 1x4a s ALA 64 CO 0.12 -0.79 -0.17 -0.06 0.00 0.00 0.00 175.76 174.86 1x4a s PHE 65 N -3.77 2.74 -0.17 0.00 0.08 -0.60 -1.51 117.98 114.76 1x4a s PHE 65 Ca 0.02 -0.91 -0.08 0.00 0.12 0.00 0.00 56.93 56.08 1x4a s PHE 65 Cb -0.01 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 1x4a s PHE 65 CO -0.11 -0.37 0.09 0.08 -0.10 0.00 0.00 175.22 174.80 1x4a s VAL 66 N 0.55 5.05 -0.57 -0.44 1.01 -0.12 -1.26 120.40 124.61 1x4a s VAL 66 Ca -0.10 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 1x4a s VAL 66 Cb -0.16 -3.26 0.15 0.00 0.00 0.00 0.00 36.38 33.11 1x4a s VAL 66 CO 0.04 0.50 0.46 -0.70 0.00 0.00 0.00 175.10 175.39 1x4a s GLU 67 N 0.01 2.75 0.85 2.72 2.12 0.23 -0.99 118.70 126.38 1x4a s GLU 67 Ca 0.07 -2.03 -0.11 0.00 0.36 0.00 0.00 54.97 53.26 1x4a s GLU 67 Cb -0.12 -4.02 0.10 0.00 0.26 0.00 0.00 34.13 30.35 1x4a s GLU 67 CO 0.00 -1.22 1.09 -0.06 -0.54 0.00 0.00 175.26 174.53 1x4a s PHE 68 N 0.91 2.53 -0.06 5.30 0.08 -0.47 0.14 117.98 126.41 1x4a s PHE 68 Ca 0.10 1.23 -0.13 0.00 0.12 0.00 0.00 56.93 58.25 1x4a s PHE 68 Cb -0.23 -3.14 -0.30 0.00 -0.57 0.00 0.00 43.02 38.79 1x4a s PHE 68 CO -0.02 -2.11 0.65 0.93 -0.10 0.00 0.00 175.22 174.57 1x4a h GLU 69 N -1.34 0.35 -6.79 0.44 4.39 -1.88 -3.42 114.58 106.33 1x4a h GLU 69 Ca -0.48 -0.60 -0.69 0.00 0.34 0.00 0.00 59.36 57.93 1x4a h GLU 69 Cb 1.27 0.22 -0.23 0.00 -0.10 0.00 0.00 28.75 29.92 1x4a h GLU 69 CO 0.56 1.29 -0.86 -0.51 -1.16 0.00 0.00 179.01 178.33 1x4a s ASP 70 N -7.21 3.41 -0.04 1.42 1.11 -1.26 -5.05 116.67 109.04 1x4a s ASP 70 Ca -0.17 -0.63 -0.24 0.00 0.18 0.00 0.00 52.55 51.69 1x4a s ASP 70 Cb 0.05 -0.34 -0.23 0.00 1.07 0.00 0.00 42.92 43.47 1x4a s ASP 70 CO 0.83 0.22 1.06 1.55 1.18 0.00 0.00 175.17 180.01 1x4a h PRO 71 N 4.24 0.17 -0.98 8.23 0.13 -1.95 -1.50 132.00 140.35 1x4a h PRO 71 Ca -0.49 -0.17 0.39 0.00 -0.87 0.00 0.00 66.00 64.86 1x4a h PRO 71 Cb 1.16 0.04 -0.18 0.00 0.13 0.00 0.00 31.00 32.16 1x4a h PRO 71 CO 0.43 0.88 0.46 0.54 -0.23 0.00 0.00 178.00 180.08 1x4a n ARG 72 N -4.53 -0.06 -0.03 0.86 1.74 -1.26 0.40 116.66 113.78 1x4a n ARG 72 Ca -0.09 1.37 -0.19 0.00 -0.77 0.00 0.00 57.85 58.16 1x4a n ARG 72 Cb 0.48 -2.41 -0.13 0.00 -1.02 0.00 0.00 32.46 29.37 1x4a n ARG 72 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1x4a h ASP 73 N 0.00 0.20 -1.35 0.55 3.32 -1.89 -3.04 116.42 114.21 1x4a h ASP 73 Ca 0.80 -0.84 0.40 0.00 0.02 0.00 0.00 57.03 57.41 1x4a h ASP 73 Cb 2.07 -0.06 -0.09 0.00 0.22 0.00 0.00 39.33 41.47 1x4a h ASP 73 CO -0.78 1.37 0.93 0.00 -1.72 0.00 0.00 179.24 179.04 1x4a h ALA 74 N -0.11 2.98 -0.20 3.45 0.00 0.11 0.69 119.26 126.17 1x4a h ALA 74 Ca -0.20 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1x4a h ALA 74 Cb 1.41 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1x4a h ALA 74 CO -0.00 -1.46 0.00 0.39 0.00 0.00 0.00 179.25 178.17 1x4a n GLU 75 N -4.36 0.00 -0.52 0.00 1.02 0.15 -1.94 120.64 114.98 1x4a n GLU 75 Ca 0.32 0.47 0.42 0.00 -0.02 0.00 0.00 57.16 58.35 1x4a n GLU 75 Cb 1.37 -1.04 0.71 0.00 -0.02 0.00 0.00 31.44 32.47 1x4a n GLU 75 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1x4a h ASP 76 N 0.00 0.15 0.24 1.62 5.19 -1.24 1.72 116.42 124.10 1x4a h ASP 76 Ca 0.00 0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1x4a h ASP 76 Cb 0.00 0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1x4a h ASP 76 CO 0.00 -0.15 -0.11 0.00 -3.12 0.00 0.00 179.24 175.86 1x4a h ALA 77 N 1.43 -0.32 0.00 3.45 0.00 0.27 1.04 119.26 125.12 1x4a h ALA 77 Ca 0.86 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.53 1x4a h ALA 77 Cb 2.96 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 20.87 1x4a h ALA 77 CO -0.30 -0.49 -0.24 -0.24 0.00 0.00 0.00 179.25 177.98 1x4a h VAL 78 N -0.71 1.05 0.00 0.00 3.04 0.20 0.16 116.25 119.99 1x4a h VAL 78 Ca -0.03 -0.86 0.00 0.00 -1.01 0.00 0.00 66.70 64.79 1x4a h VAL 78 Cb 0.48 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1x4a h VAL 78 CO 0.05 0.24 -0.42 -1.22 -1.01 0.00 0.00 177.57 175.21 1x4a n TYR 79 N -4.08 0.53 0.00 3.17 4.02 0.49 -3.54 117.16 117.75 1x4a n TYR 79 Ca -0.02 0.15 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 1x4a n TYR 79 Cb 0.31 -0.66 0.00 0.00 -0.02 0.00 0.00 39.34 38.97 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 1.36 -0.40 0.57 2.72 0.00 0.36 -4.55 105.19 105.25 1x4a n GLY 80 Ca 0.04 0.00 0.45 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.38 -0.01 -1.39 1.61 5.12 0.43 -4.35 116.66 116.70 1x4a n ARG 81 Ca 0.00 1.06 -0.51 0.00 -1.93 0.00 0.00 57.85 56.47 1x4a n ARG 81 Cb 0.00 -2.29 -0.11 0.00 -1.16 0.00 0.00 32.46 28.90 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 -4.07 1.17 -0.31 0.55 2.03 -1.23 0.81 116.55 115.50 1x4a n ASP 82 Ca 0.40 0.40 0.00 0.00 0.52 0.00 0.00 54.79 56.10 1x4a n ASP 82 Cb 1.70 -1.06 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 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 6.88 0.98 3.90 0.27 0.00 -1.15 -4.89 105.19 111.17 1x4a n GLY 83 Ca 0.52 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.61 3.53 -0.55 1.61 5.04 0.24 -4.84 117.35 119.77 1x4a s TYR 84 Ca 0.00 0.80 -0.09 0.00 -2.44 0.00 0.00 57.07 55.34 1x4a s TYR 84 Cb 0.00 -2.27 0.14 0.00 0.35 0.00 0.00 41.96 40.18 1x4a s TYR 84 CO 0.00 -0.16 0.43 0.16 -1.34 0.00 0.00 175.55 174.64 1x4a s ASP 85 N -3.80 5.81 -0.53 4.32 1.47 -1.26 -1.00 116.67 121.69 1x4a s ASP 85 Ca 0.47 -2.17 -0.15 0.00 1.18 0.00 0.00 52.55 51.88 1x4a s ASP 85 Cb -0.10 -2.03 0.12 0.00 -0.34 0.00 0.00 42.92 40.57 1x4a s ASP 85 CO 0.40 -0.63 0.47 -0.47 0.68 0.00 0.00 175.17 175.61 1x4a s TYR 86 N 0.97 3.27 -1.10 2.11 6.14 0.10 -4.31 117.35 124.52 1x4a s TYR 86 Ca 0.09 -1.31 0.00 0.00 0.64 0.00 0.00 57.07 56.49 1x4a s TYR 86 Cb -0.23 -3.70 0.00 0.00 0.42 0.00 0.00 41.96 38.45 1x4a s TYR 86 CO -0.02 -0.99 0.00 -3.47 0.64 0.00 0.00 175.55 171.70 1x4a n ASP 87 N 5.21 -4.97 0.00 4.32 -0.08 -1.26 -1.00 116.55 118.76 1x4a n ASP 87 Ca -0.13 0.26 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 1x4a n ASP 87 Cb 0.40 -3.39 0.00 0.00 2.34 0.00 0.00 41.12 40.47 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 -0.75 2.76 3.73 0.27 0.00 -1.26 -5.07 105.19 104.88 1x4a n GLY 88 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 3.56 -0.74 1.61 2.02 -0.17 -4.96 117.35 116.16 1x4a s TYR 89 Ca 0.00 1.53 -0.21 0.00 -0.37 0.00 0.00 57.07 58.02 1x4a s TYR 89 Cb 0.00 -3.30 0.09 0.00 -0.40 0.00 0.00 41.96 38.34 1x4a s TYR 89 CO 0.00 -0.74 1.02 1.03 -1.57 0.00 0.00 175.55 175.29 1x4a s ARG 90 N 0.03 3.26 0.85 -0.62 0.52 -1.26 0.01 118.95 121.74 1x4a s ARG 90 Ca 0.52 -1.10 -0.11 0.00 -0.52 0.00 0.00 55.73 54.52 1x4a s ARG 90 Cb -0.29 -4.46 0.10 0.00 0.52 0.00 0.00 34.95 30.83 1x4a s ARG 90 CO 0.33 -1.82 1.11 -0.51 0.02 0.00 0.00 175.30 174.43 1x4a s LEU 91 N 3.71 2.81 -0.32 2.53 1.43 -0.17 -4.76 118.68 123.91 1x4a s LEU 91 Ca 0.26 1.91 -0.01 0.00 -1.03 0.00 0.00 54.13 55.25 1x4a s LEU 91 Cb -0.13 -4.44 0.11 0.00 0.03 0.00 0.00 46.19 41.76 1x4a s LEU 91 CO 0.04 -2.56 0.12 -0.60 0.23 0.00 0.00 176.35 173.59 1x4a s ARG 92 N -4.80 0.66 -0.19 1.70 3.52 0.05 -2.95 118.95 116.94 1x4a s ARG 92 Ca 0.64 -1.08 -0.11 0.00 -0.13 0.00 0.00 55.73 55.05 1x4a s ARG 92 Cb -0.19 -1.82 -0.05 0.00 -1.56 0.00 0.00 34.95 31.32 1x4a s ARG 92 CO 0.57 -1.03 0.17 0.08 -0.81 0.00 0.00 175.30 174.28 1x4a s VAL 93 N 1.55 5.39 0.01 7.11 1.01 -1.26 -0.04 120.40 134.16 1x4a s VAL 93 Ca 0.11 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1x4a s VAL 93 Cb -0.18 -3.50 0.07 0.00 0.00 0.00 0.00 36.38 32.77 1x4a s VAL 93 CO -0.23 0.44 0.66 -1.83 0.00 0.00 0.00 175.10 174.14 1x4a s GLU 94 N 0.29 1.12 0.52 2.72 -1.05 -0.54 -4.59 118.70 117.17 1x4a s GLU 94 Ca 0.10 0.05 -0.20 0.00 -0.15 0.00 0.00 54.97 54.78 1x4a s GLU 94 Cb -0.11 0.53 -0.07 0.00 -0.44 0.00 0.00 34.13 34.03 1x4a s GLU 94 CO -0.00 -0.40 1.07 -0.06 0.95 0.00 0.00 175.26 176.83 1x4a s PHE 95 N -1.92 2.87 -1.22 4.83 0.08 -1.26 -2.22 117.98 119.14 1x4a s PHE 95 Ca -0.08 1.56 -0.21 0.00 0.12 0.00 0.00 56.93 58.33 1x4a s PHE 95 Cb -0.00 -3.15 -0.01 0.00 -0.57 0.00 0.00 43.02 39.30 1x4a s PHE 95 CO 0.03 -1.14 1.82 -1.25 -0.10 0.00 0.00 175.22 174.59 1x4a s PRO 96 N -3.33 3.25 -0.04 0.24 0.04 -1.26 -4.43 135.00 129.47 1x4a s PRO 96 Ca 0.69 -1.53 -0.03 0.00 0.04 0.00 0.00 61.00 60.17 1x4a s PRO 96 Cb -0.19 -5.38 0.01 0.00 0.04 0.00 0.00 34.50 28.98 1x4a s PRO 96 CO 0.24 -3.07 0.06 0.54 0.04 0.00 0.00 177.00 174.81 1x4a n ARG 97 N 8.39 -1.81 -4.14 4.56 1.74 -1.26 -4.43 116.66 119.70 1x4a n ARG 97 Ca 0.46 1.66 -0.33 0.00 -0.77 0.00 0.00 57.85 58.87 1x4a n ARG 97 Cb 0.47 -2.38 -0.07 0.00 -1.02 0.00 0.00 32.46 29.46 1x4a n ARG 97 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1x4a s SER 98 N -0.24 5.58 0.00 0.55 1.04 -1.26 -4.60 113.70 114.77 1x4a s SER 98 Ca -0.07 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1x4a s SER 98 Cb 0.00 -1.59 0.00 0.00 0.10 0.00 0.00 66.02 64.54 1x4a s SER 98 CO 0.20 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.31 1x4a n GLY 99 N 1.32 -1.85 2.80 7.32 0.00 -1.26 -5.04 105.19 108.48 1x4a n GLY 99 Ca -0.14 0.88 -0.24 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 0.82 -0.30 1.61 3.00 -1.26 -4.72 118.95 118.10 1x4a s ARG 100 Ca 0.00 -0.05 -0.17 0.00 -1.00 0.00 0.00 55.73 54.52 1x4a s ARG 100 Cb 0.00 -1.27 0.18 0.00 0.00 0.00 0.00 34.95 33.86 1x4a s ARG 100 CO 0.00 -0.34 1.11 0.20 0.00 0.00 0.00 175.30 176.27 1x4a s GLY 101 N 1.90 0.08 0.01 8.12 0.00 -1.26 -5.07 107.32 111.10 1x4a s GLY 101 Ca 0.04 3.35 0.00 0.00 0.00 0.00 0.00 44.72 48.11 1x4a s GLY 101 CO -0.06 3.14 0.00 -0.37 0.00 0.00 0.00 173.10 175.81 1x4a n THR 102 N 4.44 0.00 0.00 0.90 5.66 -1.26 -5.18 114.28 118.84 1x4a n THR 102 Ca -0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 1x4a n THR 102 Cb 0.55 -0.54 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 1x4a n THR 102 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x4a n GLY 103 N 1.55 1.18 3.58 1.09 0.00 -1.26 -5.11 105.19 106.23 1x4a n GLY 103 Ca 0.00 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.55 -0.36 1.61 1.04 -1.26 -5.13 113.70 109.05 1x4a s SER 104 Ca 0.00 0.80 0.01 0.00 0.48 0.00 0.00 55.95 57.25 1x4a s SER 104 Cb 0.00 0.73 0.11 0.00 0.10 0.00 0.00 66.02 66.96 1x4a s SER 104 CO 0.00 -0.37 0.13 -0.83 0.98 0.00 0.00 173.24 173.15 1x4a s GLY 105 N -0.56 1.54 0.54 7.32 0.00 -1.26 -5.12 107.32 109.78 1x4a s GLY 105 Ca -0.03 -2.23 -0.18 0.00 0.00 0.00 0.00 44.72 42.28 1x4a s GLY 105 CO 0.03 1.38 1.04 2.56 0.00 0.00 0.00 173.10 178.10 1x4a s PRO 106 N 1.00 3.59 0.36 2.90 0.04 -1.26 -5.07 135.00 136.56 1x4a s PRO 106 Ca 0.12 1.25 0.08 0.00 0.04 0.00 0.00 61.00 62.49 1x4a s PRO 106 Cb -0.20 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 1x4a s PRO 106 CO -0.13 -0.60 0.28 -1.54 0.04 0.00 0.00 177.00 175.06 1x4a s SER 107 N -2.45 5.08 0.42 6.66 1.04 -1.26 -5.14 113.70 118.05 1x4a s SER 107 Ca 0.65 -0.63 0.07 0.00 0.48 0.00 0.00 55.95 56.52 1x4a s SER 107 Cb -0.16 -0.81 -0.06 0.00 0.10 0.00 0.00 66.02 65.09 1x4a s SER 107 CO 0.29 -0.43 0.09 -0.44 0.98 0.00 0.00 173.24 173.73 1x4a s SER 108 N -4.00 4.13 0.00 7.02 0.01 -1.26 -5.36 113.70 114.24 1x4a s SER 108 Ca 0.42 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.42 1x4a s SER 108 Cb -0.04 -0.37 0.00 0.00 0.21 0.00 0.00 66.02 65.81 1x4a s SER 108 CO 0.26 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 174.00