#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4gcr s LYS 2 N 0.00 0.43 0.02 1.61 2.20 -0.22 -4.42 119.74 119.37 4gcr s LYS 2 Ca 0.00 0.75 0.02 0.00 -0.36 0.00 0.00 55.97 56.38 4gcr s LYS 2 Cb 0.00 0.06 -0.01 0.00 -1.51 0.00 0.00 37.83 36.36 4gcr s LYS 2 CO 0.00 -0.13 -0.07 -1.50 -0.36 0.00 0.00 175.35 173.29 4gcr s ILE 3 N 1.09 0.51 -0.07 5.43 2.07 -0.54 -0.69 121.20 129.00 4gcr s ILE 3 Ca -0.07 -0.63 0.03 0.00 -1.41 0.00 0.00 60.65 58.57 4gcr s ILE 3 Cb -0.07 -0.50 0.01 0.00 0.13 0.00 0.00 42.46 42.03 4gcr s ILE 3 CO -0.09 -0.09 -0.16 -0.89 -1.91 0.00 0.00 174.94 171.80 4gcr s THR 4 N -0.69 1.38 -0.16 4.00 2.01 0.48 -0.53 115.64 122.13 4gcr s THR 4 Ca -0.03 -0.64 -0.07 0.00 0.31 0.00 0.00 61.69 61.27 4gcr s THR 4 Cb -0.06 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 4gcr s THR 4 CO 0.00 0.41 0.07 -0.36 -0.69 0.00 0.00 174.62 174.05 4gcr s PHE 5 N 0.44 3.30 -0.01 4.92 0.08 0.11 -1.18 117.98 125.64 4gcr s PHE 5 Ca -0.13 0.19 0.06 0.00 0.12 0.00 0.00 56.93 57.17 4gcr s PHE 5 Cb -0.15 -2.01 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 4gcr s PHE 5 CO 0.04 0.32 -0.19 0.71 -0.10 0.00 0.00 175.22 176.00 4gcr s TYR 6 N -0.09 2.55 0.27 0.36 1.51 0.18 -1.23 117.35 120.90 4gcr s TYR 6 Ca 0.07 -0.27 0.05 0.00 -1.01 0.00 0.00 57.07 55.91 4gcr s TYR 6 Cb -0.12 -1.54 0.38 0.00 -0.11 0.00 0.00 41.96 40.56 4gcr s TYR 6 CO 0.01 0.14 1.66 0.93 -1.11 0.00 0.00 175.55 177.18 4gcr h GLU 7 N 5.15 0.30 -6.12 -0.62 5.08 -0.97 -0.95 114.58 116.45 4gcr h GLU 7 Ca -0.46 -0.15 -0.54 0.00 -1.00 0.00 0.00 59.36 57.21 4gcr h GLU 7 Cb 1.14 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.32 4gcr h GLU 7 CO 0.48 0.69 -0.55 -0.51 -1.00 0.00 0.00 179.01 178.12 4gcr s ASP 8 N -6.88 4.73 0.80 1.42 1.01 -0.80 -3.22 116.67 113.74 4gcr s ASP 8 Ca -0.05 -0.72 -0.11 0.00 0.71 0.00 0.00 52.55 52.38 4gcr s ASP 8 Cb 0.13 -0.79 0.08 0.00 1.01 0.00 0.00 42.92 43.35 4gcr s ASP 8 CO 0.79 -0.25 1.12 -0.13 0.21 0.00 0.00 175.17 176.90 4gcr s ARG 9 N -3.83 1.90 -1.23 8.23 0.52 -1.26 -3.49 118.95 119.79 4gcr s ARG 9 Ca 0.37 1.35 0.00 0.00 -0.52 0.00 0.00 55.73 56.93 4gcr s ARG 9 Cb -0.03 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.59 4gcr s ARG 9 CO 0.23 -1.94 0.00 0.41 0.02 0.00 0.00 175.30 174.02 4gcr n GLY 10 N -0.58 -0.09 2.30 -3.53 0.00 0.06 -2.95 105.19 100.40 4gcr n GLY 10 Ca 0.10 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 4gcr n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 4gcr n PHE 11 N -3.91 -0.69 -3.64 1.61 3.72 -1.24 -5.01 117.46 108.30 4gcr n PHE 11 Ca -0.17 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.03 4gcr n PHE 11 Cb 0.62 -3.17 -0.03 0.00 -0.94 0.00 0.00 39.48 35.95 4gcr n PHE 11 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 4gcr s GLN 12 N -4.69 2.62 0.38 -1.08 -1.52 -1.15 -5.02 119.66 109.19 4gcr s GLN 12 Ca 0.00 -1.43 0.00 0.00 -1.95 0.00 0.00 55.36 51.98 4gcr s GLN 12 Cb 0.00 -2.43 0.00 0.00 -0.22 0.00 0.00 33.01 30.36 4gcr s GLN 12 CO 0.00 -0.08 0.00 0.41 -0.25 0.00 0.00 175.29 175.37 4gcr n GLY 13 N -1.49 -2.38 3.74 3.09 0.00 -1.26 -1.90 105.19 104.98 4gcr n GLY 13 Ca 0.02 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 4gcr n GLY 13 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 4gcr s HIS 14 N -0.54 2.16 0.11 1.61 5.65 -1.26 -4.67 115.29 118.35 4gcr s HIS 14 Ca 0.00 1.52 -0.10 0.00 0.25 0.00 0.00 55.06 56.73 4gcr s HIS 14 Cb 0.00 -3.57 0.00 0.00 -1.18 0.00 0.00 32.58 27.83 4gcr s HIS 14 CO 0.00 -2.63 0.24 0.00 -0.65 0.00 0.00 174.74 171.70 4gcr s TYR 16 N -3.87 -0.25 0.03 0.00 5.04 -0.37 -4.95 117.35 112.99 4gcr s TYR 16 Ca 0.07 0.60 0.02 0.00 -2.44 0.00 0.00 57.07 55.32 4gcr s TYR 16 Cb 0.04 0.06 -0.04 0.00 0.35 0.00 0.00 41.96 42.38 4gcr s TYR 16 CO -0.09 -0.14 0.02 -1.83 -1.34 0.00 0.00 175.55 172.17 4gcr s GLU 17 N 0.38 2.77 0.02 4.97 -1.05 -1.26 -0.71 118.70 123.81 4gcr s GLU 17 Ca -0.02 -0.67 -0.00 0.00 -0.15 0.00 0.00 54.97 54.13 4gcr s GLU 17 Cb -0.04 -2.67 -0.02 0.00 -0.44 0.00 0.00 34.13 30.97 4gcr s GLU 17 CO -0.02 0.60 -0.02 0.00 0.95 0.00 0.00 175.26 176.77 4gcr n SER 19 N 1.88 0.22 -1.84 0.00 3.41 -1.26 -1.47 113.62 114.56 4gcr n SER 19 Ca -0.22 -1.59 -0.05 0.00 -0.26 0.00 0.00 58.87 56.75 4gcr n SER 19 Cb 0.56 -0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 64.40 4gcr n SER 19 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 4gcr n SER 20 N -0.10 -0.77 -4.70 4.04 3.41 -1.26 -4.53 113.62 109.71 4gcr n SER 20 Ca 0.01 -1.78 -0.43 0.00 -0.26 0.00 0.00 58.87 56.41 4gcr n SER 20 Cb 0.58 1.36 -0.02 0.00 -0.26 0.00 0.00 64.21 65.87 4gcr n SER 20 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 4gcr n ASP 21 N -1.62 3.00 -3.58 4.04 8.00 -1.26 -4.52 116.55 120.61 4gcr n ASP 21 Ca -0.01 1.16 -0.29 0.00 0.71 0.00 0.00 54.79 56.36 4gcr n ASP 21 Cb 0.26 -1.48 -0.14 0.00 -0.02 0.00 0.00 41.12 39.74 4gcr n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 4gcr h PRO 23 N 7.75 0.00 -2.17 0.00 0.13 -1.89 -1.35 132.00 134.48 4gcr h PRO 23 Ca -0.09 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.90 4gcr h PRO 23 Cb 0.99 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.83 4gcr h PRO 23 CO 0.40 0.00 -0.45 1.21 -0.23 0.00 0.00 178.00 178.93 4gcr s ASN 24 N -4.95 0.09 0.00 1.44 2.47 -1.25 0.68 114.94 113.42 4gcr s ASN 24 Ca -0.01 0.50 0.16 0.00 0.42 0.00 0.00 52.86 53.94 4gcr s ASN 24 Cb 0.10 1.16 0.22 0.00 -1.45 0.00 0.00 41.25 41.28 4gcr s ASN 24 CO 0.41 -0.27 1.12 0.18 -3.72 0.00 0.00 177.10 174.82 4gcr n LEU 25 N 5.37 2.65 -0.17 3.21 4.77 0.17 -4.43 117.00 128.57 4gcr n LEU 25 Ca -0.05 -1.28 0.10 0.00 -0.03 0.00 0.00 56.01 54.74 4gcr n LEU 25 Cb 0.50 -0.10 0.42 0.00 -2.33 0.00 0.00 43.42 41.91 4gcr n LEU 25 CO 0.04 0.54 1.21 1.56 -1.33 0.00 0.00 177.39 179.41 4gcr h GLN 26 N 3.15 0.59 0.00 3.23 4.20 -1.79 -1.50 115.11 122.98 4gcr h GLN 26 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 4gcr h GLN 26 Cb 0.73 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.38 4gcr h GLN 26 CO 0.00 0.39 0.00 -2.30 -0.67 0.00 0.00 178.83 176.25 4gcr n PRO 27 N -4.49 0.08 -0.04 1.46 -0.02 -1.26 -3.76 135.00 126.96 4gcr n PRO 27 Ca 0.12 0.09 -0.01 0.00 -2.02 0.00 0.00 63.50 61.68 4gcr n PRO 27 Cb 0.35 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.22 4gcr n PRO 27 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 4gcr n TYR 28 N -1.45 0.00 -3.50 6.00 4.01 -0.57 -5.03 117.16 116.61 4gcr n TYR 28 Ca 0.07 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.65 4gcr n TYR 28 Cb 0.26 -0.54 -0.05 0.00 -0.31 0.00 0.00 39.34 38.70 4gcr n TYR 28 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 4gcr s PHE 29 N -2.65 -0.60 -1.54 -0.72 -0.12 -1.18 -4.85 117.98 106.32 4gcr s PHE 29 Ca -0.06 0.85 0.18 0.00 -0.05 0.00 0.00 56.93 57.84 4gcr s PHE 29 Cb 0.07 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 4gcr s PHE 29 CO 0.60 -0.67 0.91 -1.13 -0.05 0.00 0.00 175.22 174.87 4gcr n SER 30 N 0.53 1.62 -3.60 1.98 3.41 -1.26 -4.53 113.62 111.77 4gcr n SER 30 Ca -0.18 -1.31 -0.08 0.00 -0.26 0.00 0.00 58.87 57.04 4gcr n SER 30 Cb 0.59 0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 65.08 4gcr n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 4gcr s ARG 31 N -2.19 1.16 -0.14 4.33 1.70 -1.26 -4.99 118.95 117.57 4gcr s ARG 31 Ca 0.14 -0.53 -0.04 0.00 -0.47 0.00 0.00 55.73 54.83 4gcr s ARG 31 Cb 0.15 0.47 0.06 0.00 -0.57 0.00 0.00 34.95 35.06 4gcr s ARG 31 CO 0.50 -0.52 0.17 0.00 -1.08 0.00 0.00 175.30 174.37 4gcr n ASN 33 N 5.32 0.70 -3.60 0.00 3.02 -0.38 -4.52 115.26 115.80 4gcr n ASN 33 Ca -0.05 -0.85 -0.16 0.00 -0.03 0.00 0.00 54.58 53.49 4gcr n ASN 33 Cb 0.50 0.48 -0.06 0.00 -0.61 0.00 0.00 39.78 40.08 4gcr n ASN 33 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 4gcr s SER 34 N -0.73 -0.48 -0.01 6.41 1.04 -1.12 -2.97 113.70 115.85 4gcr s SER 34 Ca 0.02 0.41 -0.04 0.00 0.48 0.00 0.00 55.95 56.83 4gcr s SER 34 Cb 0.02 0.47 -0.00 0.00 0.10 0.00 0.00 66.02 66.61 4gcr s SER 34 CO 0.07 -0.60 0.08 -0.63 0.98 0.00 0.00 173.24 173.14 4gcr s ILE 35 N -1.55 0.06 -0.17 -1.02 1.01 -0.41 -0.65 121.20 118.47 4gcr s ILE 35 Ca -0.10 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.10 4gcr s ILE 35 Cb -0.02 -0.27 0.02 0.00 0.01 0.00 0.00 42.46 42.21 4gcr s ILE 35 CO 0.05 -0.25 -0.19 -0.13 0.00 0.00 0.00 174.94 174.43 4gcr s ARG 36 N -0.81 2.81 -0.33 2.79 0.52 -0.33 -0.49 118.95 123.11 4gcr s ARG 36 Ca -0.09 -0.76 -0.12 0.00 -0.52 0.00 0.00 55.73 54.24 4gcr s ARG 36 Cb -0.05 -2.43 -0.02 0.00 0.52 0.00 0.00 34.95 32.97 4gcr s ARG 36 CO 0.00 -0.19 0.23 0.08 0.02 0.00 0.00 175.30 175.43 4gcr s VAL 37 N 1.28 5.19 -0.02 3.52 1.01 0.01 -0.39 120.40 131.01 4gcr s VAL 37 Ca 0.04 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.82 4gcr s VAL 37 Cb -0.13 -3.65 -0.25 0.00 0.00 0.00 0.00 36.38 32.35 4gcr s VAL 37 CO -0.11 0.02 0.77 0.44 0.00 0.00 0.00 175.10 176.22 4gcr h ASP 38 N 8.46 0.20 -4.51 3.32 3.32 -1.20 -1.45 116.42 124.57 4gcr h ASP 38 Ca -0.32 -0.34 0.09 0.00 0.02 0.00 0.00 57.03 56.49 4gcr h ASP 38 Cb 1.16 -0.07 -0.18 0.00 0.22 0.00 0.00 39.33 40.47 4gcr h ASP 38 CO 0.63 1.29 0.49 -0.94 -1.72 0.00 0.00 179.24 178.99 4gcr s SER 39 N -6.63 -0.38 0.00 6.45 1.04 -1.00 -4.89 113.70 108.28 4gcr s SER 39 Ca -0.08 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.50 4gcr s SER 39 Cb 0.08 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.57 4gcr s SER 39 CO 0.83 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 175.12 4gcr n GLY 40 N 0.09 0.49 3.35 7.32 0.00 -1.26 -1.05 105.19 114.12 4gcr n GLY 40 Ca -0.10 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.73 4gcr n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4gcr s TRP 42 N 0.50 1.26 -0.17 0.00 0.52 -0.02 -0.50 118.94 120.53 4gcr s TRP 42 Ca -0.09 -0.45 -0.01 0.00 0.02 0.00 0.00 56.10 55.58 4gcr s TRP 42 Cb -0.16 -0.71 -0.00 0.00 -1.15 0.00 0.00 33.47 31.45 4gcr s TRP 42 CO 0.04 0.07 -0.13 1.41 0.02 0.00 0.00 176.95 178.35 4gcr s MET 43 N -1.69 3.23 0.07 4.98 1.75 -0.13 -0.81 119.30 126.69 4gcr s MET 43 Ca -0.01 -0.73 0.00 0.00 -1.25 0.00 0.00 55.69 53.71 4gcr s MET 43 Cb -0.10 -2.71 -0.04 0.00 2.84 0.00 0.00 34.83 34.82 4gcr s MET 43 CO 0.02 -0.06 0.20 -0.51 -0.65 0.00 0.00 175.02 174.03 4gcr s LEU 44 N 1.02 4.32 0.03 4.11 1.43 0.89 0.17 118.68 130.64 4gcr s LEU 44 Ca -0.01 0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.37 4gcr s LEU 44 Cb -0.15 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.13 4gcr s LEU 44 CO -0.03 0.16 -0.12 -0.31 0.23 0.00 0.00 176.35 176.29 4gcr s TYR 45 N -1.51 1.01 0.29 0.29 1.51 -0.19 -1.01 117.35 117.74 4gcr s TYR 45 Ca 0.35 -0.33 0.14 0.00 -1.01 0.00 0.00 57.07 56.21 4gcr s TYR 45 Cb -0.13 -0.61 0.63 0.00 -0.11 0.00 0.00 41.96 41.74 4gcr s TYR 45 CO 0.28 0.00 1.74 1.49 -1.11 0.00 0.00 175.55 177.95 4gcr h GLU 46 N 5.06 0.00 -5.65 -0.62 4.81 -0.83 0.10 114.58 117.45 4gcr h GLU 46 Ca -0.36 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.30 4gcr h GLU 46 Cb 1.18 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.43 4gcr h GLU 46 CO 0.44 0.44 -0.64 1.03 -0.73 0.00 0.00 179.01 179.56 4gcr s ARG 47 N -3.86 1.79 0.98 1.92 0.52 -0.37 -3.58 118.95 116.36 4gcr s ARG 47 Ca -0.02 -1.96 -0.12 0.00 -0.52 0.00 0.00 55.73 53.11 4gcr s ARG 47 Cb 0.13 -1.45 0.18 0.00 0.52 0.00 0.00 34.95 34.33 4gcr s ARG 47 CO 0.72 0.01 1.08 -2.14 0.02 0.00 0.00 175.30 174.99 4gcr s PRO 48 N -3.71 0.55 -1.55 3.54 0.02 -1.26 -3.37 135.00 129.22 4gcr s PRO 48 Ca 0.33 0.80 -0.04 0.00 0.02 0.00 0.00 61.00 62.11 4gcr s PRO 48 Cb 0.06 -1.73 0.01 0.00 0.02 0.00 0.00 34.50 32.87 4gcr s PRO 48 CO 0.16 -2.72 0.46 0.09 -0.33 0.00 0.00 177.00 174.65 4gcr n ASN 49 N -4.21 -5.73 -3.50 2.53 3.02 0.22 -3.23 115.26 104.35 4gcr n ASN 49 Ca 0.06 -0.23 -0.19 0.00 -0.03 0.00 0.00 54.58 54.19 4gcr n ASN 49 Cb 0.55 -4.68 0.08 0.00 -0.61 0.00 0.00 39.78 35.13 4gcr n ASN 49 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 4gcr n TYR 50 N -4.31 -2.31 -4.53 3.10 4.01 -1.24 -5.02 117.16 106.85 4gcr n TYR 50 Ca -0.13 0.95 -0.25 0.00 -0.16 0.00 0.00 57.90 58.30 4gcr n TYR 50 Cb 0.62 -4.99 -0.09 0.00 -0.31 0.00 0.00 39.34 34.57 4gcr n TYR 50 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 4gcr s GLN 51 N -5.64 1.87 1.64 -0.72 -0.21 -1.20 -5.03 119.66 110.36 4gcr s GLN 51 Ca 0.14 -2.11 0.00 0.00 0.02 0.00 0.00 55.36 53.41 4gcr s GLN 51 Cb -0.06 -0.91 0.00 0.00 1.00 0.00 0.00 33.01 33.04 4gcr s GLN 51 CO 0.74 -0.32 0.00 0.41 -2.12 0.00 0.00 175.29 174.00 4gcr n GLY 52 N -0.88 -1.54 3.76 3.09 0.00 -1.26 -1.24 105.19 107.11 4gcr n GLY 52 Ca -0.06 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 4gcr n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 4gcr s HIS 53 N 0.00 2.41 0.13 1.61 3.76 -1.26 -4.67 115.29 117.27 4gcr s HIS 53 Ca 0.00 1.37 0.11 0.00 -0.15 0.00 0.00 55.06 56.39 4gcr s HIS 53 Cb 0.00 -3.77 -0.04 0.00 1.11 0.00 0.00 32.58 29.88 4gcr s HIS 53 CO 0.00 -2.71 -0.27 -0.65 -0.85 0.00 0.00 174.74 170.26 4gcr s GLN 54 N -2.77 1.40 -0.07 1.40 -0.21 -1.26 -0.71 119.66 117.45 4gcr s GLN 54 Ca 0.68 -1.34 -0.04 0.00 0.02 0.00 0.00 55.36 54.67 4gcr s GLN 54 Cb -0.40 -1.89 0.03 0.00 1.00 0.00 0.00 33.01 31.76 4gcr s GLN 54 CO 0.48 0.45 0.16 0.71 -2.12 0.00 0.00 175.29 174.97 4gcr s TYR 55 N -1.06 -0.19 -0.15 0.91 2.02 -0.18 -4.24 117.35 114.46 4gcr s TYR 55 Ca 0.14 0.49 -0.15 0.00 -0.37 0.00 0.00 57.07 57.18 4gcr s TYR 55 Cb -0.10 0.00 -0.05 0.00 -0.40 0.00 0.00 41.96 41.42 4gcr s TYR 55 CO 0.06 -0.14 0.33 0.12 -1.57 0.00 0.00 175.55 174.36 4gcr s PHE 56 N 0.67 3.47 0.03 2.71 5.36 -1.26 -0.08 117.98 128.88 4gcr s PHE 56 Ca -0.05 0.66 0.03 0.00 -0.96 0.00 0.00 56.93 56.61 4gcr s PHE 56 Cb -0.06 -2.38 -0.02 0.00 -0.34 0.00 0.00 43.02 40.21 4gcr s PHE 56 CO -0.03 0.23 -0.08 -0.51 -1.46 0.00 0.00 175.22 173.36 4gcr s LEU 57 N 0.48 2.16 0.00 6.12 1.02 0.01 -5.01 118.68 123.46 4gcr s LEU 57 Ca 0.19 -0.39 0.01 0.00 0.02 0.00 0.00 54.13 53.96 4gcr s LEU 57 Cb -0.13 -0.30 -0.00 0.00 0.02 0.00 0.00 46.19 45.77 4gcr s LEU 57 CO 0.05 -0.06 0.04 0.54 0.02 0.00 0.00 176.35 176.94 4gcr n ARG 58 N 2.03 0.85 -1.58 1.70 1.74 -1.26 -0.84 116.66 119.30 4gcr n ARG 58 Ca -0.19 -3.07 -0.43 0.00 -0.77 0.00 0.00 57.85 53.39 4gcr n ARG 58 Cb 0.56 1.08 -0.00 0.00 -1.02 0.00 0.00 32.46 33.08 4gcr n ARG 58 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 4gcr n ARG 59 N -0.98 1.27 0.00 5.56 1.74 -1.25 -4.72 116.66 118.29 4gcr n ARG 59 Ca -0.14 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 4gcr n ARG 59 Cb 0.54 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 4gcr n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 4gcr n GLY 60 N 1.26 1.18 3.70 -0.13 0.00 -0.54 -4.94 105.19 105.71 4gcr n GLY 60 Ca 0.10 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 4gcr n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 4gcr s ASP 61 N 0.00 5.47 -0.37 1.61 1.11 -1.26 -0.81 116.67 122.42 4gcr s ASP 61 Ca 0.00 0.18 0.00 0.00 0.18 0.00 0.00 52.55 52.91 4gcr s ASP 61 Cb 0.00 -1.67 0.12 0.00 1.07 0.00 0.00 42.92 42.45 4gcr s ASP 61 CO 0.00 0.34 0.19 -0.31 1.18 0.00 0.00 175.17 176.57 4gcr s TYR 62 N -0.66 1.49 -1.82 4.23 1.51 0.36 -4.99 117.35 117.46 4gcr s TYR 62 Ca 0.11 -1.94 0.23 0.00 -1.01 0.00 0.00 57.07 54.46 4gcr s TYR 62 Cb -0.12 -1.54 1.30 0.00 -0.11 0.00 0.00 41.96 41.50 4gcr s TYR 62 CO 0.02 -0.82 1.74 -0.35 -1.11 0.00 0.00 175.55 175.03 4gcr n PRO 63 N 4.13 0.60 -3.56 -1.71 -0.05 -1.26 -1.29 135.00 131.85 4gcr n PRO 63 Ca 0.06 0.02 -0.14 0.00 -0.05 0.00 0.00 63.50 63.40 4gcr n PRO 63 Cb 0.38 -1.50 -0.05 0.00 -0.05 0.00 0.00 33.50 32.28 4gcr n PRO 63 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 4gcr s ASP 64 N -2.18 -0.44 0.57 3.54 2.15 -1.23 -0.76 116.67 118.32 4gcr s ASP 64 Ca 0.30 0.13 0.29 0.00 0.43 0.00 0.00 52.55 53.71 4gcr s ASP 64 Cb 0.16 0.50 1.74 0.00 -0.30 0.00 0.00 42.92 45.02 4gcr s ASP 64 CO 0.29 -0.75 2.21 0.10 -0.17 0.00 0.00 175.17 176.85 4gcr h TYR 65 N 2.68 0.00 0.00 -5.34 -0.00 -1.84 -0.72 116.97 111.75 4gcr h TYR 65 Ca -0.31 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.42 4gcr h TYR 65 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.95 4gcr h TYR 65 CO 0.35 0.03 -0.01 0.37 -0.00 0.00 0.00 178.16 178.90 4gcr h GLN 66 N 0.00 0.00 0.00 0.10 4.15 -1.92 -0.24 115.11 117.20 4gcr h GLN 66 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 4gcr h GLN 66 Cb 0.08 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 4gcr h GLN 66 CO 0.00 0.01 -0.00 1.96 -1.93 0.00 0.00 178.83 178.87 4gcr h GLN 67 N 0.00 0.00 -0.24 1.69 1.08 -1.51 -1.69 115.11 114.44 4gcr h GLN 67 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 4gcr h GLN 67 Cb 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 4gcr h GLN 67 CO 0.00 0.00 0.00 -2.67 -0.95 0.00 0.00 178.83 175.21 4gcr n TRP 68 N -3.09 0.82 -2.47 2.96 2.14 -0.88 -4.95 117.44 111.96 4gcr n TRP 68 Ca -0.01 -0.85 -0.18 0.00 2.07 0.00 0.00 57.50 58.53 4gcr n TRP 68 Cb 0.23 -0.27 0.00 0.00 -0.81 0.00 0.00 31.31 30.45 4gcr n TRP 68 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 4gcr n MET 69 N -0.50 -2.08 -2.04 -2.67 -0.00 -0.64 -4.78 117.12 104.42 4gcr n MET 69 Ca 0.20 0.86 -0.38 0.00 -0.00 0.00 0.00 57.70 58.38 4gcr n MET 69 Cb 0.83 -5.40 0.01 0.00 -0.00 0.00 0.00 33.22 28.66 4gcr n MET 69 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 4gcr s GLY 70 N -2.31 2.86 0.11 3.17 0.00 -0.16 -4.93 107.32 106.08 4gcr s GLY 70 Ca 0.06 1.17 0.08 0.00 0.00 0.00 0.00 44.72 46.03 4gcr s GLY 70 CO 0.07 1.69 1.23 -2.75 0.00 0.00 0.00 173.10 173.34 4gcr h PHE 71 N 2.11 0.00 -1.41 1.90 3.57 -1.93 -3.43 116.94 117.75 4gcr h PHE 71 Ca -0.50 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.00 4gcr h PHE 71 Cb 1.26 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.00 4gcr h PHE 71 CO 0.51 0.97 0.00 0.27 -2.23 0.00 0.00 178.31 177.83 4gcr n ASN 72 N -3.31 0.00 -2.10 0.41 0.23 -1.26 -5.04 115.26 104.19 4gcr n ASN 72 Ca -0.02 -0.65 -0.22 0.00 -0.53 0.00 0.00 54.58 53.17 4gcr n ASN 72 Cb 0.94 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.80 4gcr n ASN 72 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 4gcr n ASP 73 N -0.50 3.74 -4.52 0.53 5.75 -1.26 -4.90 116.55 115.39 4gcr n ASP 73 Ca 0.00 -3.44 -0.38 0.00 -0.01 0.00 0.00 54.79 50.96 4gcr n ASP 73 Cb 0.00 -0.81 -0.12 0.00 -1.03 0.00 0.00 41.12 39.17 4gcr n ASP 73 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 4gcr s SER 74 N -1.06 5.67 -0.24 -1.12 0.15 -1.26 -0.13 113.70 115.71 4gcr s SER 74 Ca 0.51 -0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.97 4gcr s SER 74 Cb 0.43 -2.04 0.07 0.00 -1.71 0.00 0.00 66.02 62.77 4gcr s SER 74 CO 0.10 -0.08 0.04 -0.63 1.20 0.00 0.00 173.24 173.86 4gcr s ILE 75 N 1.69 0.86 0.00 6.45 -1.09 -1.26 -4.29 121.20 123.55 4gcr s ILE 75 Ca 0.06 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.51 4gcr s ILE 75 Cb -0.16 -1.40 0.00 0.00 -1.58 0.00 0.00 42.46 39.32 4gcr s ILE 75 CO 0.08 -0.33 0.56 0.54 -1.23 0.00 0.00 174.94 174.56 4gcr n ARG 76 N 4.90 -0.45 -3.47 2.79 1.74 0.33 -4.81 116.66 117.70 4gcr n ARG 76 Ca -0.07 -0.63 -0.10 0.00 -0.77 0.00 0.00 57.85 56.27 4gcr n ARG 76 Cb 0.45 -0.99 -0.02 0.00 -1.02 0.00 0.00 32.46 30.87 4gcr n ARG 76 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 4gcr s SER 77 N -0.13 -0.48 -0.05 0.55 1.04 -1.13 -0.65 113.70 112.84 4gcr s SER 77 Ca 0.00 -0.02 -0.22 0.00 0.48 0.00 0.00 55.95 56.18 4gcr s SER 77 Cb 0.00 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.69 4gcr s SER 77 CO 0.00 -0.86 0.49 0.00 0.98 0.00 0.00 173.24 173.86 4gcr s ARG 79 N -1.12 1.91 -0.27 0.00 0.52 0.13 -1.07 118.95 119.04 4gcr s ARG 79 Ca -0.11 -0.88 -0.16 0.00 -0.52 0.00 0.00 55.73 54.06 4gcr s ARG 79 Cb -0.03 -1.87 -0.03 0.00 0.52 0.00 0.00 34.95 33.54 4gcr s ARG 79 CO 0.06 0.51 0.41 -1.17 0.02 0.00 0.00 175.30 175.13 4gcr s LEU 80 N -0.64 4.05 -0.09 2.53 2.96 -1.26 -0.96 118.68 125.26 4gcr s LEU 80 Ca 0.09 0.34 -0.23 0.00 -0.22 0.00 0.00 54.13 54.11 4gcr s LEU 80 Cb -0.09 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 4gcr s LEU 80 CO -0.01 -0.21 0.71 -0.63 -1.32 0.00 0.00 176.35 174.89 4gcr s ILE 81 N 2.13 5.03 0.40 6.68 1.01 0.35 -4.85 121.20 131.94 4gcr s ILE 81 Ca 0.16 1.45 -0.27 0.00 0.00 0.00 0.00 60.65 61.99 4gcr s ILE 81 Cb -0.16 -4.04 -0.10 0.00 0.01 0.00 0.00 42.46 38.17 4gcr s ILE 81 CO 0.10 0.21 1.44 -2.16 0.00 0.00 0.00 174.94 174.53 4gcr s PRO 82 N 1.04 3.98 0.19 2.79 0.04 -1.26 -4.57 135.00 137.21 4gcr s PRO 82 Ca 0.37 2.47 -0.30 0.00 0.04 0.00 0.00 61.00 63.58 4gcr s PRO 82 Cb -0.17 -2.86 -0.08 0.00 0.04 0.00 0.00 34.50 31.42 4gcr s PRO 82 CO 0.17 -0.59 1.16 -1.14 0.04 0.00 0.00 177.00 176.64 4gcr s GLN 83 N -2.20 4.53 -0.08 4.56 0.74 -1.26 -4.82 119.66 121.14 4gcr s GLN 83 Ca 0.55 1.83 0.05 0.00 0.05 0.00 0.00 55.36 57.84 4gcr s GLN 83 Cb -0.44 -3.25 -0.01 0.00 1.10 0.00 0.00 33.01 30.41 4gcr s GLN 83 CO 0.59 -0.02 -0.23 -1.58 -0.55 0.00 0.00 175.29 173.50 4gcr s HIS 84 N -0.20 2.52 0.16 1.67 5.65 -1.26 -5.08 115.29 118.74 4gcr s HIS 84 Ca 0.51 -0.77 0.07 0.00 0.25 0.00 0.00 55.06 55.12 4gcr s HIS 84 Cb -0.32 -1.65 -0.04 0.00 -1.18 0.00 0.00 32.58 29.39 4gcr s HIS 84 CO 0.37 -0.25 -0.04 0.95 -0.65 0.00 0.00 174.74 175.12 4gcr s THR 85 N -0.01 3.56 0.00 0.89 -4.23 -1.26 -4.99 115.64 109.59 4gcr s THR 85 Ca -0.08 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 4gcr s THR 85 Cb -0.15 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 70.94 4gcr s THR 85 CO 0.05 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 4gcr n GLY 86 N 0.12 -1.63 3.79 3.99 0.00 -1.26 -4.94 105.19 105.27 4gcr n GLY 86 Ca -0.11 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 4gcr n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 4gcr s THR 87 N 0.00 4.83 0.02 2.61 2.01 -1.26 -5.05 115.64 118.81 4gcr s THR 87 Ca 0.00 1.21 -0.15 0.00 0.31 0.00 0.00 61.69 63.05 4gcr s THR 87 Cb 0.00 -3.90 -0.06 0.00 0.01 0.00 0.00 72.50 68.55 4gcr s THR 87 CO 0.00 0.50 0.44 -0.36 -0.69 0.00 0.00 174.62 174.51 4gcr s PHE 88 N -0.70 3.73 -0.15 4.92 0.40 -1.26 -4.63 117.98 120.29 4gcr s PHE 88 Ca 0.29 1.03 -0.08 0.00 -0.60 0.00 0.00 56.93 57.57 4gcr s PHE 88 Cb -0.19 -2.32 0.05 0.00 0.51 0.00 0.00 43.02 41.08 4gcr s PHE 88 CO 0.18 0.62 0.35 0.50 0.70 0.00 0.00 175.22 177.57 4gcr s ARG 89 N -1.18 0.34 0.04 0.44 3.52 -0.10 -4.27 118.95 117.74 4gcr s ARG 89 Ca 0.26 0.68 -0.00 0.00 -0.13 0.00 0.00 55.73 56.53 4gcr s ARG 89 Cb -0.17 -0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.16 4gcr s ARG 89 CO 0.15 -0.15 -0.03 0.00 -0.81 0.00 0.00 175.30 174.46 4gcr s MET 90 N 1.24 0.50 -0.06 5.12 0.23 -0.44 -1.10 119.30 124.78 4gcr s MET 90 Ca -0.09 -0.96 0.06 0.00 -1.03 0.00 0.00 55.69 53.67 4gcr s MET 90 Cb -0.08 0.13 -0.01 0.00 -1.53 0.00 0.00 34.83 33.34 4gcr s MET 90 CO -0.10 -0.08 -0.25 1.03 -2.03 0.00 0.00 175.02 173.59 4gcr s ARG 91 N -2.83 2.61 0.07 3.16 0.52 0.49 -0.20 118.95 122.77 4gcr s ARG 91 Ca -0.03 -0.90 0.06 0.00 -0.52 0.00 0.00 55.73 54.34 4gcr s ARG 91 Cb -0.00 -2.17 -0.04 0.00 0.52 0.00 0.00 34.95 33.26 4gcr s ARG 91 CO -0.06 0.35 -0.09 0.96 0.02 0.00 0.00 175.30 176.48 4gcr s ILE 92 N -0.09 3.45 0.12 1.52 -4.36 0.58 -0.41 121.20 122.02 4gcr s ILE 92 Ca -0.06 -1.11 0.09 0.00 -0.26 0.00 0.00 60.65 59.30 4gcr s ILE 92 Cb -0.14 -2.58 -0.04 0.00 1.25 0.00 0.00 42.46 40.95 4gcr s ILE 92 CO 0.04 0.20 -0.21 -0.31 0.24 0.00 0.00 174.94 174.91 4gcr s TYR 93 N -1.15 1.84 0.18 1.37 1.51 0.29 -1.06 117.35 120.34 4gcr s TYR 93 Ca 0.20 -0.42 -0.08 0.00 -1.01 0.00 0.00 57.07 55.76 4gcr s TYR 93 Cb -0.11 -0.99 0.07 0.00 -0.11 0.00 0.00 41.96 40.82 4gcr s TYR 93 CO 0.12 0.24 1.56 0.93 -1.11 0.00 0.00 175.55 177.29 4gcr h GLU 94 N 3.89 0.88 -5.86 -0.62 5.08 -1.41 -2.47 114.58 114.06 4gcr h GLU 94 Ca -0.46 -0.40 -0.58 0.00 -1.00 0.00 0.00 59.36 56.92 4gcr h GLU 94 Cb 1.18 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.32 4gcr h GLU 94 CO 0.42 1.04 -0.54 1.03 -1.00 0.00 0.00 179.01 179.96 4gcr s ARG 95 N -4.54 2.14 0.83 2.33 0.52 -0.68 -3.98 118.95 115.56 4gcr s ARG 95 Ca -0.10 -1.89 -0.12 0.00 -0.52 0.00 0.00 55.73 53.10 4gcr s ARG 95 Cb 0.12 -1.89 0.09 0.00 0.52 0.00 0.00 34.95 33.79 4gcr s ARG 95 CO 0.86 -0.06 1.10 0.16 0.02 0.00 0.00 175.30 177.38 4gcr s ASP 96 N -3.83 4.16 -1.57 0.23 1.47 -1.26 -3.54 116.67 112.33 4gcr s ASP 96 Ca 0.39 1.27 -0.05 0.00 1.18 0.00 0.00 52.55 55.34 4gcr s ASP 96 Cb 0.05 -1.97 0.01 0.00 -0.34 0.00 0.00 42.92 40.66 4gcr s ASP 96 CO 0.21 -2.17 0.61 -0.67 0.68 0.00 0.00 175.17 173.82 4gcr n ASP 97 N -3.56 -6.18 -3.65 2.11 2.03 0.09 -2.74 116.55 104.66 4gcr n ASP 97 Ca 0.07 -0.29 -0.24 0.00 0.52 0.00 0.00 54.79 54.85 4gcr n ASP 97 Cb 0.57 -4.99 0.07 0.00 -0.72 0.00 0.00 41.12 36.05 4gcr n ASP 97 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 4gcr n PHE 98 N -4.53 -2.67 -4.06 -0.67 3.72 -1.25 -5.01 117.46 102.99 4gcr n PHE 98 Ca -0.12 0.98 -0.23 0.00 -0.05 0.00 0.00 57.45 58.04 4gcr n PHE 98 Cb 0.62 -4.82 -0.06 0.00 -0.94 0.00 0.00 39.48 34.29 4gcr n PHE 98 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 4gcr s ARG 99 N -6.26 2.47 1.01 -1.08 0.52 -1.11 -5.04 118.95 109.46 4gcr s ARG 99 Ca 0.52 -1.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 4gcr s ARG 99 Cb -0.24 -2.26 0.00 0.00 0.52 0.00 0.00 34.95 32.98 4gcr s ARG 99 CO 0.75 0.14 0.00 0.41 0.02 0.00 0.00 175.30 176.63 4gcr n GLY 100 N -1.18 -2.06 3.76 -3.53 0.00 -1.26 -1.69 105.19 99.22 4gcr n GLY 100 Ca -0.03 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 4gcr n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 4gcr s GLN 101 N 0.00 4.25 0.01 1.61 0.74 -1.26 -4.68 119.66 120.33 4gcr s GLN 101 Ca 0.00 2.35 0.04 0.00 0.05 0.00 0.00 55.36 57.80 4gcr s GLN 101 Cb 0.00 -3.07 -0.03 0.00 1.10 0.00 0.00 33.01 31.01 4gcr s GLN 101 CO 0.00 -0.40 -0.09 1.41 -0.55 0.00 0.00 175.29 175.66 4gcr s MET 102 N -1.03 2.45 -0.00 1.67 -2.45 -1.26 -1.96 119.30 116.71 4gcr s MET 102 Ca 0.56 -0.77 0.04 0.00 -1.25 0.00 0.00 55.69 54.27 4gcr s MET 102 Cb -0.43 -2.43 -0.01 0.00 1.25 0.00 0.00 34.83 33.21 4gcr s MET 102 CO 0.49 0.59 -0.12 -1.12 1.05 0.00 0.00 175.02 175.91 4gcr s SER 103 N -1.37 1.46 -0.14 1.11 0.01 -0.22 -4.96 113.70 109.59 4gcr s SER 103 Ca 0.16 -0.25 -0.06 0.00 1.31 0.00 0.00 55.95 57.11 4gcr s SER 103 Cb -0.11 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 4gcr s SER 103 CO 0.07 0.14 0.10 -0.70 0.41 0.00 0.00 173.24 173.25 4gcr s GLU 104 N -0.38 3.56 -0.10 12.44 2.12 -1.26 -0.30 118.70 134.77 4gcr s GLU 104 Ca 0.04 -0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.16 4gcr s GLU 104 Cb -0.05 -3.15 0.01 0.00 0.26 0.00 0.00 34.13 31.20 4gcr s GLU 104 CO -0.00 0.60 -0.16 0.42 -0.54 0.00 0.00 175.26 175.57 4gcr s ILE 105 N -0.54 1.55 -0.01 -3.70 1.01 0.72 -4.98 121.20 115.26 4gcr s ILE 105 Ca 0.11 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.09 4gcr s ILE 105 Cb -0.12 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 40.97 4gcr s ILE 105 CO 0.02 0.45 0.81 0.35 0.00 0.00 0.00 174.94 176.57 4gcr n THR 106 N 4.05 0.61 -4.32 2.92 -2.24 -1.26 -1.33 114.28 112.70 4gcr n THR 106 Ca -0.20 -0.63 -0.18 0.00 -2.27 0.00 0.00 64.05 60.78 4gcr n THR 106 Cb 0.52 0.66 -0.09 0.00 -2.10 0.00 0.00 70.33 69.31 4gcr n THR 106 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 4gcr s ASP 107 N -0.71 1.36 0.52 3.42 1.47 -1.26 -4.53 116.67 116.94 4gcr s ASP 107 Ca 0.02 -1.51 -0.20 0.00 1.18 0.00 0.00 52.55 52.04 4gcr s ASP 107 Cb 0.02 0.34 -0.06 0.00 -0.34 0.00 0.00 42.92 42.87 4gcr s ASP 107 CO 0.00 -0.85 1.12 -1.81 0.68 0.00 0.00 175.17 174.31 4gcr s ASP 108 N -3.34 5.88 -0.30 2.11 1.01 -1.26 -4.82 116.67 115.94 4gcr s ASP 108 Ca 0.36 2.14 -0.01 0.00 0.71 0.00 0.00 52.55 55.75 4gcr s ASP 108 Cb 0.06 -2.58 0.10 0.00 1.01 0.00 0.00 42.92 41.51 4gcr s ASP 108 CO 0.16 -1.11 0.10 0.00 0.21 0.00 0.00 175.17 174.54 4gcr n PRO 110 N 4.93 0.07 -3.26 0.00 -0.04 -1.26 -1.19 135.00 134.25 4gcr n PRO 110 Ca -0.03 0.07 -0.04 0.00 -0.04 0.00 0.00 63.50 63.47 4gcr n PRO 110 Cb 0.42 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 4gcr n PRO 110 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 4gcr s SER 111 N -2.92 -0.42 0.37 3.54 0.15 -1.25 0.04 113.70 113.20 4gcr s SER 111 Ca 0.14 0.28 0.19 0.00 0.70 0.00 0.00 55.95 57.26 4gcr s SER 111 Cb 0.16 1.52 0.58 0.00 -1.71 0.00 0.00 66.02 66.58 4gcr s SER 111 CO 0.44 -0.30 1.68 -0.07 1.20 0.00 0.00 173.24 176.19 4gcr h LEU 112 N 8.10 0.00 -0.38 3.45 4.07 -1.43 -2.37 115.31 126.75 4gcr h LEU 112 Ca -0.16 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.72 4gcr h LEU 112 Cb 1.15 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 4gcr h LEU 112 CO 0.25 0.37 -0.08 -0.61 -1.08 0.00 0.00 178.44 177.29 4gcr h GLN 113 N 0.00 0.73 -0.03 1.13 4.15 -1.72 0.14 115.11 119.51 4gcr h GLN 113 Ca -0.00 -0.28 -0.00 0.00 0.77 0.00 0.00 58.65 59.14 4gcr h GLN 113 Cb 0.99 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.63 4gcr h GLN 113 CO 0.05 0.87 -0.00 -0.44 -1.93 0.00 0.00 178.83 177.38 4gcr h ASP 114 N 0.53 0.05 0.01 -0.69 3.32 -1.86 0.41 116.42 118.20 4gcr h ASP 114 Ca 0.10 -0.32 -0.10 0.00 0.02 0.00 0.00 57.03 56.72 4gcr h ASP 114 Cb 0.60 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.14 4gcr h ASP 114 CO 0.04 0.36 -0.41 -0.09 -1.72 0.00 0.00 179.24 177.41 4gcr h ARG 115 N -0.26 0.26 -0.03 3.56 2.43 -1.46 -3.40 114.38 115.48 4gcr h ARG 115 Ca 0.01 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 4gcr h ARG 115 Cb 0.33 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 4gcr h ARG 115 CO 0.00 1.01 0.00 1.19 -1.51 0.00 0.00 179.97 180.66 4gcr n PHE 116 N -4.38 0.04 -3.51 2.20 3.72 0.45 -5.00 117.46 110.98 4gcr n PHE 116 Ca -0.10 -0.07 -0.25 0.00 -0.05 0.00 0.00 57.45 56.97 4gcr n PHE 116 Cb 0.59 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 39.16 4gcr n PHE 116 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 4gcr n HIS 117 N 0.30 -2.34 -5.12 1.38 8.25 0.14 -4.97 115.22 112.86 4gcr n HIS 117 Ca 0.04 0.79 -0.29 0.00 -0.26 0.00 0.00 57.72 57.99 4gcr n HIS 117 Cb 0.18 -4.33 -0.16 0.00 1.12 0.00 0.00 29.99 26.81 4gcr n HIS 117 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 4gcr s LEU 118 N -7.04 2.06 -0.00 2.41 1.43 -1.18 -4.96 118.68 111.40 4gcr s LEU 118 Ca 0.51 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 4gcr s LEU 118 Cb -0.24 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 4gcr s LEU 118 CO 0.64 0.28 0.13 0.35 0.23 0.00 0.00 176.35 177.98 4gcr n THR 119 N 2.39 0.00 -4.17 5.49 -2.24 -1.26 -2.48 114.28 112.00 4gcr n THR 119 Ca -0.16 -0.35 -0.16 0.00 -2.27 0.00 0.00 64.05 61.11 4gcr n THR 119 Cb 0.52 0.88 -0.12 0.00 -2.10 0.00 0.00 70.33 69.50 4gcr n THR 119 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 4gcr s GLU 120 N -1.52 0.68 -0.11 -0.78 2.02 -1.26 -2.35 118.70 115.37 4gcr s GLU 120 Ca 0.01 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.28 4gcr s GLU 120 Cb 0.03 -0.59 0.02 0.00 0.10 0.00 0.00 34.13 33.69 4gcr s GLU 120 CO 0.14 0.13 -0.12 0.08 0.02 0.00 0.00 175.26 175.51 4gcr s VAL 121 N -1.06 1.33 -0.80 2.63 1.01 -0.53 -4.90 120.40 118.09 4gcr s VAL 121 Ca -0.04 -0.52 0.22 0.00 0.00 0.00 0.00 61.98 61.64 4gcr s VAL 121 Cb -0.08 -1.26 -0.21 0.00 0.00 0.00 0.00 36.38 34.83 4gcr s VAL 121 CO 0.01 0.41 0.91 1.41 0.00 0.00 0.00 175.10 177.84 4gcr n HIS 122 N 4.49 0.04 -3.50 5.22 8.25 -0.93 -4.78 115.22 124.01 4gcr n HIS 122 Ca -0.17 0.01 -0.15 0.00 -0.26 0.00 0.00 57.72 57.15 4gcr n HIS 122 Cb 0.51 -0.16 -0.04 0.00 1.12 0.00 0.00 29.99 31.41 4gcr n HIS 122 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 4gcr s SER 123 N -3.36 -0.58 0.09 0.41 1.04 -1.21 -3.76 113.70 106.33 4gcr s SER 123 Ca 0.05 0.43 -0.16 0.00 0.48 0.00 0.00 55.95 56.75 4gcr s SER 123 Cb 0.16 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.82 4gcr s SER 123 CO 0.85 -0.67 0.39 -1.48 0.98 0.00 0.00 173.24 173.30 4gcr s LEU 124 N -1.70 0.47 -0.13 2.42 0.05 0.13 -0.54 118.68 119.38 4gcr s LEU 124 Ca -0.05 -0.20 -0.00 0.00 0.05 0.00 0.00 54.13 53.92 4gcr s LEU 124 Cb -0.00 1.74 0.03 0.00 -2.05 0.00 0.00 46.19 45.91 4gcr s LEU 124 CO 0.01 -0.76 -0.07 0.21 -0.55 0.00 0.00 176.35 175.19 4gcr s ASN 125 N -2.45 2.41 -0.37 1.48 3.04 0.46 -1.13 114.94 118.38 4gcr s ASN 125 Ca -0.01 -0.43 -0.15 0.00 0.04 0.00 0.00 52.86 52.32 4gcr s ASN 125 Cb 0.01 -0.87 -0.00 0.00 -1.54 0.00 0.00 41.25 38.84 4gcr s ASN 125 CO -0.08 -0.14 0.31 -0.69 -3.04 0.00 0.00 177.10 173.46 4gcr s VAL 126 N 1.68 5.23 -0.10 -5.21 1.01 -0.13 -0.38 120.40 122.50 4gcr s VAL 126 Ca 0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 4gcr s VAL 126 Cb -0.13 -3.84 -0.26 0.00 0.00 0.00 0.00 36.38 32.14 4gcr s VAL 126 CO -0.08 -0.17 0.46 -0.07 0.00 0.00 0.00 175.10 175.24 4gcr h LEU 127 N 8.66 0.34 -7.42 3.92 3.38 -1.40 -0.74 115.31 122.06 4gcr h LEU 127 Ca -0.29 -0.74 -0.16 0.00 0.09 0.00 0.00 57.88 56.78 4gcr h LEU 127 Cb 1.14 -0.11 -0.26 0.00 0.09 0.00 0.00 40.66 41.52 4gcr h LEU 127 CO 0.70 1.66 -0.41 -1.61 0.09 0.00 0.00 178.44 178.87 4gcr s GLU 128 N -2.57 0.30 0.00 1.13 2.02 -0.74 -4.87 118.70 113.96 4gcr s GLU 128 Ca -0.18 0.44 0.00 0.00 0.02 0.00 0.00 54.97 55.25 4gcr s GLU 128 Cb 0.07 0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.39 4gcr s GLU 128 CO 0.79 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 176.41 4gcr n GLY 129 N 3.27 -1.89 3.69 -1.39 0.00 -1.26 -0.92 105.19 106.69 4gcr n GLY 129 Ca -0.16 -1.52 -0.27 0.00 0.00 0.00 0.00 46.02 44.07 4gcr n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 4gcr s SER 130 N -4.39 4.92 0.18 1.61 0.01 -1.26 -4.01 113.70 110.75 4gcr s SER 130 Ca 0.00 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 56.95 4gcr s SER 130 Cb 0.00 -1.11 -0.04 0.00 0.21 0.00 0.00 66.02 65.08 4gcr s SER 130 CO 0.00 0.10 0.04 0.26 0.41 0.00 0.00 173.24 174.05 4gcr s TRP 131 N -1.66 1.15 -0.11 2.43 0.52 -0.27 -0.92 118.94 120.09 4gcr s TRP 131 Ca 0.28 -1.13 0.03 0.00 0.02 0.00 0.00 56.10 55.30 4gcr s TRP 131 Cb -0.10 -0.65 0.01 0.00 -1.15 0.00 0.00 33.47 31.58 4gcr s TRP 131 CO 0.19 -0.35 -0.21 0.08 0.02 0.00 0.00 176.95 176.68 4gcr s VAL 132 N -3.82 1.87 -0.17 4.03 1.01 0.50 0.10 120.40 123.92 4gcr s VAL 132 Ca 0.27 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 4gcr s VAL 132 Cb 0.07 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 4gcr s VAL 132 CO 0.05 0.52 0.15 -0.22 0.00 0.00 0.00 175.10 175.60 4gcr s LEU 133 N 0.61 4.26 0.01 3.92 0.20 0.42 -0.93 118.68 127.17 4gcr s LEU 133 Ca -0.13 0.33 0.07 0.00 0.69 0.00 0.00 54.13 55.09 4gcr s LEU 133 Cb -0.17 -2.13 -0.03 0.00 -0.43 0.00 0.00 46.19 43.44 4gcr s LEU 133 CO 0.04 0.23 -0.21 -0.31 -0.29 0.00 0.00 176.35 175.80 4gcr s TYR 134 N 0.03 2.48 0.31 5.38 1.51 -0.40 -0.47 117.35 126.20 4gcr s TYR 134 Ca 0.11 -0.31 -0.00 0.00 -1.01 0.00 0.00 57.07 55.85 4gcr s TYR 134 Cb -0.12 -1.49 0.50 0.00 -0.11 0.00 0.00 41.96 40.74 4gcr s TYR 134 CO 0.00 0.14 1.96 1.49 -1.11 0.00 0.00 175.55 178.04 4gcr h GLU 135 N 5.01 0.97 -6.13 -0.62 4.81 -1.11 0.32 114.58 117.82 4gcr h GLU 135 Ca -0.46 -0.08 -0.59 0.00 -0.13 0.00 0.00 59.36 58.11 4gcr h GLU 135 Cb 1.14 -0.21 -0.14 0.00 0.63 0.00 0.00 28.75 30.17 4gcr h GLU 135 CO 0.47 0.67 -0.76 -1.64 -0.73 0.00 0.00 179.01 177.02 4gcr s MET 136 N -5.76 1.63 0.95 1.92 -1.94 -0.33 -2.05 119.30 113.72 4gcr s MET 136 Ca -0.11 -1.75 -0.12 0.00 -1.71 0.00 0.00 55.69 52.01 4gcr s MET 136 Cb 0.17 -1.69 0.16 0.00 2.01 0.00 0.00 34.83 35.49 4gcr s MET 136 CO 0.78 0.31 1.09 -2.14 -0.01 0.00 0.00 175.02 175.05 4gcr s PRO 137 N -3.52 0.77 -1.48 2.03 0.02 -1.25 -3.11 135.00 128.46 4gcr s PRO 137 Ca 0.29 0.93 -0.00 0.00 0.02 0.00 0.00 61.00 62.24 4gcr s PRO 137 Cb -0.04 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.73 4gcr s PRO 137 CO 0.14 -2.60 0.05 0.43 -0.33 0.00 0.00 177.00 174.68 4gcr n SER 138 N -4.15 -5.16 -2.96 2.53 7.64 0.11 -3.38 113.62 108.24 4gcr n SER 138 Ca 0.07 -0.04 -0.16 0.00 1.01 0.00 0.00 58.87 59.75 4gcr n SER 138 Cb 0.55 -4.22 0.07 0.00 -1.01 0.00 0.00 64.21 59.60 4gcr n SER 138 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 4gcr n TYR 139 N -4.05 -1.98 -4.55 1.43 4.01 -1.23 -5.00 117.16 105.80 4gcr n TYR 139 Ca -0.20 0.78 -0.26 0.00 -0.16 0.00 0.00 57.90 58.06 4gcr n TYR 139 Cb 0.65 -4.39 -0.11 0.00 -0.31 0.00 0.00 39.34 35.19 4gcr n TYR 139 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 4gcr s ARG 140 N -5.47 1.82 1.33 -0.72 0.52 -1.18 -5.03 118.95 110.21 4gcr s ARG 140 Ca 0.19 -1.98 0.00 0.00 -0.52 0.00 0.00 55.73 53.42 4gcr s ARG 140 Cb -0.08 -1.54 0.00 0.00 0.52 0.00 0.00 34.95 33.85 4gcr s ARG 140 CO 0.59 0.03 0.00 0.41 0.02 0.00 0.00 175.30 176.34 4gcr n GLY 141 N -0.82 -1.86 3.75 -3.53 0.00 -1.26 -1.19 105.19 100.28 4gcr n GLY 141 Ca -0.05 -1.37 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 4gcr n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4gcr n ARG 142 N -0.09 2.22 -4.47 1.61 1.74 -1.26 -4.64 116.66 111.77 4gcr n ARG 142 Ca 0.00 0.79 -0.31 0.00 -0.77 0.00 0.00 57.85 57.56 4gcr n ARG 142 Cb 0.00 -2.57 -0.11 0.00 -1.02 0.00 0.00 32.46 28.76 4gcr n ARG 142 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 4gcr s GLN 143 N -2.33 2.28 -0.04 5.56 -0.21 -1.26 -1.14 119.66 122.52 4gcr s GLN 143 Ca 0.60 -0.89 0.00 0.00 0.02 0.00 0.00 55.36 55.09 4gcr s GLN 143 Cb -0.47 -2.34 0.03 0.00 1.00 0.00 0.00 33.01 31.22 4gcr s GLN 143 CO 0.59 0.56 -0.01 0.71 -2.12 0.00 0.00 175.29 175.01 4gcr s TYR 144 N -1.03 0.46 0.07 0.91 2.02 0.38 -4.13 117.35 116.04 4gcr s TYR 144 Ca 0.17 -0.06 -0.28 0.00 -0.37 0.00 0.00 57.07 56.53 4gcr s TYR 144 Cb -0.11 -0.54 -0.05 0.00 -0.40 0.00 0.00 41.96 40.86 4gcr s TYR 144 CO 0.08 -0.18 0.89 -1.17 -1.57 0.00 0.00 175.55 173.61 4gcr s LEU 145 N 1.19 4.46 -0.22 -1.29 2.96 -1.26 -0.43 118.68 124.09 4gcr s LEU 145 Ca -0.07 1.64 -0.01 0.00 -0.22 0.00 0.00 54.13 55.48 4gcr s LEU 145 Cb -0.13 -3.45 0.02 0.00 0.50 0.00 0.00 46.19 43.12 4gcr s LEU 145 CO -0.02 -0.07 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.07 4gcr s LEU 146 N 0.15 2.77 0.32 -0.68 1.43 0.11 -4.95 118.68 117.83 4gcr s LEU 146 Ca 0.45 -0.77 0.07 0.00 -1.03 0.00 0.00 54.13 52.85 4gcr s LEU 146 Cb -0.22 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 4gcr s LEU 146 CO 0.27 -0.07 0.33 -0.13 0.23 0.00 0.00 176.35 176.98 4gcr s ARG 147 N 1.31 2.91 0.26 1.70 0.52 -1.26 -1.11 118.95 123.28 4gcr s ARG 147 Ca 0.02 -1.15 -0.30 0.00 -0.52 0.00 0.00 55.73 53.78 4gcr s ARG 147 Cb -0.15 -2.61 -0.13 0.00 0.52 0.00 0.00 34.95 32.58 4gcr s ARG 147 CO -0.08 0.15 1.37 -2.30 0.02 0.00 0.00 175.30 174.47 4gcr n PRO 148 N -1.42 2.05 0.00 3.54 -0.02 -1.26 -4.73 135.00 133.16 4gcr n PRO 148 Ca -0.03 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 4gcr n PRO 148 Cb 0.59 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 4gcr n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4gcr n GLY 149 N 1.82 1.39 3.78 -1.23 0.00 -0.28 -4.98 105.19 105.69 4gcr n GLY 149 Ca 0.10 -1.61 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 4gcr n GLY 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4gcr s GLU 150 N -1.66 4.11 -0.47 1.61 2.02 -1.26 -0.95 118.70 122.08 4gcr s GLU 150 Ca 0.00 0.32 0.03 0.00 0.02 0.00 0.00 54.97 55.34 4gcr s GLU 150 Cb 0.00 -3.33 0.14 0.00 0.10 0.00 0.00 34.13 31.03 4gcr s GLU 150 CO 0.00 0.43 0.26 0.71 0.02 0.00 0.00 175.26 176.67 4gcr s TYR 151 N -0.20 2.39 -0.58 1.61 1.51 -0.28 -4.98 117.35 116.82 4gcr s TYR 151 Ca 0.22 -2.68 0.24 0.00 -1.01 0.00 0.00 57.07 53.84 4gcr s TYR 151 Cb -0.15 -2.18 0.93 0.00 -0.11 0.00 0.00 41.96 40.44 4gcr s TYR 151 CO 0.10 -0.76 1.73 0.54 -1.11 0.00 0.00 175.55 176.05 4gcr n ARG 152 N 3.34 0.21 -3.53 -0.62 1.74 -1.26 -0.69 116.66 115.85 4gcr n ARG 152 Ca 0.08 0.35 -0.11 0.00 -0.77 0.00 0.00 57.85 57.40 4gcr n ARG 152 Cb 0.34 -1.84 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 4gcr n ARG 152 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 4gcr s ARG 153 N -3.24 1.20 0.51 5.56 1.70 -1.25 -0.73 118.95 122.71 4gcr s ARG 153 Ca 0.06 -0.60 0.16 0.00 -0.47 0.00 0.00 55.73 54.89 4gcr s ARG 153 Cb 0.10 0.54 1.25 0.00 -0.57 0.00 0.00 34.95 36.27 4gcr s ARG 153 CO 0.46 -0.50 2.14 0.10 -1.08 0.00 0.00 175.30 176.41 4gcr h TYR 154 N 2.16 0.03 -0.02 5.89 -0.00 -1.87 -0.85 116.97 122.30 4gcr h TYR 154 Ca -0.34 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.40 4gcr h TYR 154 Cb 1.28 -0.01 -0.00 0.00 0.00 0.00 0.00 36.73 38.00 4gcr h TYR 154 CO 0.28 0.02 0.02 -0.07 -0.00 0.00 0.00 178.16 178.40 4gcr h LEU 155 N 0.03 0.00 -2.19 0.10 3.38 -1.92 -1.99 115.31 112.72 4gcr h LEU 155 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 4gcr h LEU 155 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 4gcr h LEU 155 CO -0.00 0.00 -0.05 0.44 0.09 0.00 0.00 178.44 178.92 4gcr h ASP 156 N 0.00 0.00 -0.51 -0.43 3.32 -1.50 -0.30 116.42 117.00 4gcr h ASP 156 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 4gcr h ASP 156 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 4gcr h ASP 156 CO -0.00 0.05 0.00 -2.67 -1.72 0.00 0.00 179.24 174.90 4gcr n TRP 157 N -3.40 0.66 -0.26 4.55 2.14 -0.75 -4.96 117.44 115.42 4gcr n TRP 157 Ca -0.02 -0.33 0.00 0.00 2.07 0.00 0.00 57.50 59.22 4gcr n TRP 157 Cb 0.19 -0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.69 4gcr n TRP 157 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 4gcr n GLY 158 N 1.57 0.66 3.87 -1.67 0.00 -0.12 -4.73 105.19 104.77 4gcr n GLY 158 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 4gcr n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4gcr s ALA 159 N -2.54 3.08 -2.16 4.61 0.00 -1.21 -4.98 121.76 118.56 4gcr s ALA 159 Ca 0.00 -0.13 0.18 0.00 0.00 0.00 0.00 51.96 52.01 4gcr s ALA 159 Cb 0.00 -3.06 0.19 0.00 0.00 0.00 0.00 23.12 20.25 4gcr s ALA 159 CO 0.00 -0.74 1.12 -0.12 0.00 0.00 0.00 175.76 176.02 4gcr n MET 160 N -2.77 1.69 -3.90 0.00 1.56 -1.26 -4.40 117.12 108.03 4gcr n MET 160 Ca 0.06 -1.69 -0.09 0.00 -0.27 0.00 0.00 57.70 55.71 4gcr n MET 160 Cb 0.54 -1.36 -0.05 0.00 2.15 0.00 0.00 33.22 34.51 4gcr n MET 160 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 4gcr s ASN 161 N -1.44 -0.14 -0.12 6.12 2.20 -1.26 -5.04 114.94 115.27 4gcr s ASN 161 Ca 0.23 -0.75 0.12 0.00 -0.94 0.00 0.00 52.86 51.53 4gcr s ASN 161 Cb 0.16 0.57 0.57 0.00 -2.00 0.00 0.00 41.25 40.55 4gcr s ASN 161 CO 0.23 -1.09 1.42 0.00 -2.94 0.00 0.00 177.10 174.71 4gcr n ALA 162 N -0.35 3.16 -2.19 3.54 0.00 -1.26 -4.93 120.51 118.49 4gcr n ALA 162 Ca -0.05 -1.26 -0.41 0.00 0.00 0.00 0.00 53.44 51.71 4gcr n ALA 162 Cb 0.62 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 4gcr n ALA 162 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 4gcr s LYS 163 N -1.96 4.61 -0.09 0.00 1.02 -1.26 -1.45 119.74 120.60 4gcr s LYS 163 Ca 0.39 1.63 -0.03 0.00 0.02 0.00 0.00 55.97 57.99 4gcr s LYS 163 Cb 0.27 -3.32 0.04 0.00 -0.52 0.00 0.00 37.83 34.30 4gcr s LYS 163 CO 0.16 0.08 0.06 0.08 -0.92 0.00 0.00 175.35 174.80 4gcr s VAL 164 N 0.02 0.02 -0.07 3.17 1.01 -0.99 -4.51 120.40 119.06 4gcr s VAL 164 Ca 0.50 0.15 0.14 0.00 0.00 0.00 0.00 61.98 62.77 4gcr s VAL 164 Cb -0.27 -0.39 -0.21 0.00 0.00 0.00 0.00 36.38 35.50 4gcr s VAL 164 CO 0.32 0.04 0.22 0.61 0.00 0.00 0.00 175.10 176.30 4gcr n GLY 165 N 5.25 -0.70 3.47 4.51 0.00 0.11 -4.55 105.19 113.27 4gcr n GLY 165 Ca -0.05 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 4gcr n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4gcr s SER 166 N -4.16 -0.34 -0.01 1.61 1.04 -1.01 -1.27 113.70 109.57 4gcr s SER 166 Ca -0.06 -0.32 -0.00 0.00 0.48 0.00 0.00 55.95 56.05 4gcr s SER 166 Cb 0.08 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.78 4gcr s SER 166 CO 0.62 -1.01 0.02 -0.76 0.98 0.00 0.00 173.24 173.09 4gcr s LEU 167 N -2.83 1.54 -0.04 2.42 1.43 -0.33 -1.27 118.68 119.60 4gcr s LEU 167 Ca 0.06 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 4gcr s LEU 167 Cb -0.01 -0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.19 4gcr s LEU 167 CO -0.07 -0.06 -0.14 -0.60 0.23 0.00 0.00 176.35 175.71 4gcr s ARG 168 N 0.53 1.48 0.38 1.70 3.52 -0.11 -0.60 118.95 125.85 4gcr s ARG 168 Ca -0.04 -0.47 -0.25 0.00 -0.13 0.00 0.00 55.73 54.83 4gcr s ARG 168 Cb -0.06 -1.30 -0.09 0.00 -1.56 0.00 0.00 34.95 31.94 4gcr s ARG 168 CO -0.01 0.16 1.08 1.03 -0.81 0.00 0.00 175.30 176.74 4gcr s ARG 169 N 0.20 4.24 -0.56 5.12 0.52 -1.26 -0.37 118.95 126.82 4gcr s ARG 169 Ca -0.05 1.61 -0.23 0.00 -0.52 0.00 0.00 55.73 56.54 4gcr s ARG 169 Cb -0.11 -2.68 0.05 0.00 0.52 0.00 0.00 34.95 32.72 4gcr s ARG 169 CO 0.02 -0.10 0.90 0.08 0.02 0.00 0.00 175.30 176.22 4gcr s VAL 170 N -1.53 4.45 -0.01 3.52 1.01 -0.10 -4.85 120.40 122.89 4gcr s VAL 170 Ca 0.55 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.60 4gcr s VAL 170 Cb -0.25 -4.53 0.00 0.00 0.00 0.00 0.00 36.38 31.60 4gcr s VAL 170 CO 0.32 -1.13 -0.05 -0.04 0.00 0.00 0.00 175.10 174.20 4gcr s MET 171 N 3.78 0.49 0.84 2.72 -1.94 -1.26 -4.60 119.30 119.34 4gcr s MET 171 Ca 0.27 -0.16 -0.12 0.00 -1.71 0.00 0.00 55.69 53.97 4gcr s MET 171 Cb -0.14 -0.50 0.09 0.00 2.01 0.00 0.00 34.83 36.29 4gcr s MET 171 CO 0.17 0.07 1.11 0.34 -0.01 0.00 0.00 175.02 176.69 4gcr s ASP 172 N 0.13 4.12 0.53 3.03 -1.08 -1.26 -4.93 116.67 117.20 4gcr s ASP 172 Ca -0.01 1.20 0.27 0.00 -0.52 0.00 0.00 52.55 53.49 4gcr s ASP 172 Cb -0.05 -1.88 1.47 0.00 -1.46 0.00 0.00 42.92 41.00 4gcr s ASP 172 CO -0.00 -2.19 2.09 -0.26 0.52 0.00 0.00 175.17 175.32 4gcr h PHE 173 N -1.24 0.00 0.00 -5.34 0.04 -2.00 -3.54 116.94 104.85 4gcr h PHE 173 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 4gcr h PHE 173 Cb 1.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.44 4gcr h PHE 173 CO 0.40 0.11 0.00 0.66 -0.60 0.00 0.00 178.31 178.88