#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g4b s THR 2 N 0.00 -0.37 -0.07 4.28 2.01 -1.26 -0.64 115.64 119.59 1g4b s THR 2 Ca 0.00 0.15 0.05 0.00 0.31 0.00 0.00 61.69 62.20 1g4b s THR 2 Cb 0.00 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.88 1g4b s THR 2 CO 0.00 0.06 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.12 1g4b s ILE 3 N 2.09 2.10 -0.12 1.82 1.01 -0.95 -2.31 121.20 124.84 1g4b s ILE 3 Ca -0.05 -1.04 -0.01 0.00 0.00 0.00 0.00 60.65 59.55 1g4b s ILE 3 Cb -0.10 -1.77 0.03 0.00 0.01 0.00 0.00 42.46 40.63 1g4b s ILE 3 CO -0.12 0.57 -0.02 -0.69 0.00 0.00 0.00 174.94 174.67 1g4b s VAL 4 N -0.02 0.66 -0.09 2.92 1.01 0.84 -1.52 120.40 124.22 1g4b s VAL 4 Ca -0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1g4b s VAL 4 Cb -0.15 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1g4b s VAL 4 CO 0.05 0.18 -0.03 -0.55 0.00 0.00 0.00 175.10 174.76 1g4b s SER 5 N 1.84 4.97 0.04 3.32 0.15 0.59 -1.27 113.70 123.33 1g4b s SER 5 Ca 0.03 0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.75 1g4b s SER 5 Cb -0.14 -1.38 -0.02 0.00 -1.71 0.00 0.00 66.02 62.77 1g4b s SER 5 CO -0.07 0.35 -0.06 -0.69 1.20 0.00 0.00 173.24 173.97 1g4b s VAL 6 N -0.74 0.40 -0.14 4.45 1.01 -0.77 -1.56 120.40 123.07 1g4b s VAL 6 Ca 0.11 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 1g4b s VAL 6 Cb -0.11 -0.52 0.05 0.00 0.00 0.00 0.00 36.38 35.80 1g4b s VAL 6 CO 0.02 -0.43 0.06 -0.60 0.00 0.00 0.00 175.10 174.15 1g4b s ARG 7 N -1.59 0.24 -0.02 2.72 3.52 -1.26 0.18 118.95 122.74 1g4b s ARG 7 Ca -0.12 -0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.45 1g4b s ARG 7 Cb -0.10 -1.51 0.03 0.00 -1.56 0.00 0.00 34.95 31.81 1g4b s ARG 7 CO -0.00 -0.54 0.02 0.50 -0.81 0.00 0.00 175.30 174.46 1g4b s ARG 8 N 2.06 0.07 7.86 5.12 3.52 0.21 -4.98 118.95 132.81 1g4b s ARG 8 Ca 0.02 0.14 0.00 0.00 -0.13 0.00 0.00 55.73 55.77 1g4b s ARG 8 Cb -0.15 -0.31 0.00 0.00 -1.56 0.00 0.00 34.95 32.93 1g4b s ARG 8 CO -0.07 -0.15 0.00 0.09 -0.81 0.00 0.00 175.30 174.36 1g4b n ASN 9 N 4.12 0.00 -1.42 -2.12 3.02 -1.26 -1.96 115.26 115.63 1g4b n ASN 9 Ca -0.27 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.36 1g4b n ASN 9 Cb 0.51 0.00 0.33 0.00 -0.61 0.00 0.00 39.78 40.01 1g4b n ASN 9 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g4b n GLY 10 N 0.00 3.34 3.23 7.41 0.00 -1.26 -4.94 105.19 112.97 1g4b n GLY 10 Ca 0.00 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 1g4b n GLY 10 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g4b s HIS 11 N -2.57 1.69 -0.07 1.61 3.76 -0.83 -0.78 115.29 118.10 1g4b s HIS 11 Ca 0.48 -0.38 -0.04 0.00 -0.15 0.00 0.00 55.06 54.98 1g4b s HIS 11 Cb 0.36 -0.99 0.03 0.00 1.11 0.00 0.00 32.58 33.09 1g4b s HIS 11 CO 0.15 0.09 0.16 0.54 -0.85 0.00 0.00 174.74 174.83 1g4b s VAL 12 N -0.86 -0.04 0.30 -0.90 0.11 -1.01 -0.62 120.40 117.39 1g4b s VAL 12 Ca 0.06 0.13 0.03 0.00 -2.93 0.00 0.00 61.98 59.27 1g4b s VAL 12 Cb -0.09 -0.26 -0.06 0.00 -1.53 0.00 0.00 36.38 34.45 1g4b s VAL 12 CO 0.02 0.05 0.06 0.68 -3.33 0.00 0.00 175.10 172.58 1g4b s VAL 13 N 0.90 1.04 -0.16 2.04 -7.23 0.13 -1.97 120.40 115.15 1g4b s VAL 13 Ca -0.07 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.06 1g4b s VAL 13 Cb -0.09 -2.72 0.08 0.00 0.56 0.00 0.00 36.38 34.21 1g4b s VAL 13 CO -0.05 -0.03 0.20 -0.63 -0.31 0.00 0.00 175.10 174.28 1g4b s ILE 14 N -3.41 -0.30 0.12 -0.62 1.01 -1.11 -1.84 121.20 115.05 1g4b s ILE 14 Ca 0.36 0.05 0.09 0.00 0.00 0.00 0.00 60.65 61.16 1g4b s ILE 14 Cb 0.08 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 1g4b s ILE 14 CO 0.15 -0.08 -0.21 0.00 0.00 0.00 0.00 174.94 174.80 1g4b s ALA 15 N 2.32 2.59 0.12 9.38 0.00 -0.40 -2.50 121.76 133.26 1g4b s ALA 15 Ca 0.05 -1.37 -0.10 0.00 0.00 0.00 0.00 51.96 50.54 1g4b s ALA 15 Cb -0.14 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1g4b s ALA 15 CO -0.10 0.58 0.24 0.20 0.00 0.00 0.00 175.76 176.68 1g4b s GLY 16 N -2.07 0.17 0.18 0.00 0.00 -1.10 -0.11 107.32 104.39 1g4b s GLY 16 Ca 0.17 -0.64 -0.01 0.00 0.00 0.00 0.00 44.72 44.24 1g4b s GLY 16 CO 0.09 -0.76 0.24 2.09 0.00 0.00 0.00 173.10 174.76 1g4b n ASP 17 N -0.13 0.23 0.00 1.64 5.75 -0.98 -2.48 116.55 120.59 1g4b n ASP 17 Ca -0.13 -1.22 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 1g4b n ASP 17 Cb 0.63 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 1g4b n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1g4b n GLY 18 N 3.21 1.14 3.77 6.12 0.00 -0.69 -4.26 105.19 114.47 1g4b n GLY 18 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1g4b n GLY 18 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g4b s GLN 19 N -0.61 4.69 -0.07 1.61 0.74 -1.26 -0.15 119.66 124.62 1g4b s GLN 19 Ca 0.00 1.42 0.00 0.00 0.05 0.00 0.00 55.36 56.84 1g4b s GLN 19 Cb 0.00 -3.01 0.02 0.00 1.10 0.00 0.00 33.01 31.13 1g4b s GLN 19 CO 0.00 0.36 -0.06 0.00 -0.55 0.00 0.00 175.29 175.04 1g4b s ALA 20 N -1.42 0.96 0.19 1.58 0.00 -0.68 -4.77 121.76 117.62 1g4b s ALA 20 Ca 0.46 -0.26 0.10 0.00 0.00 0.00 0.00 51.96 52.26 1g4b s ALA 20 Cb -0.22 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1g4b s ALA 20 CO 0.28 -0.17 -0.15 0.99 0.00 0.00 0.00 175.76 176.72 1g4b s THR 21 N 1.25 2.88 -0.13 0.00 2.01 -1.26 -0.86 115.64 119.52 1g4b s THR 21 Ca -0.05 -1.84 -0.04 0.00 0.31 0.00 0.00 61.69 60.08 1g4b s THR 21 Cb -0.14 -2.42 0.06 0.00 0.01 0.00 0.00 72.50 70.01 1g4b s THR 21 CO -0.02 -0.14 0.17 -0.22 -0.69 0.00 0.00 174.62 173.72 1g4b s LEU 22 N -2.85 -0.04 0.00 4.42 0.20 -0.44 -4.82 118.68 115.14 1g4b s LEU 22 Ca 0.24 0.05 0.00 0.00 0.69 0.00 0.00 54.13 55.11 1g4b s LEU 22 Cb -0.08 0.26 0.00 0.00 -0.43 0.00 0.00 46.19 45.94 1g4b s LEU 22 CO 0.14 -0.28 0.00 0.61 -0.29 0.00 0.00 176.35 176.52 1g4b n GLY 23 N 5.32 2.54 0.05 7.98 0.00 -1.26 -1.45 105.19 118.36 1g4b n GLY 23 Ca -0.05 0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1g4b n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g4b n ASN 24 N 10.17 1.85 -4.51 1.61 3.02 -1.26 -5.03 115.26 121.12 1g4b n ASN 24 Ca 0.00 -2.26 -0.30 0.00 -0.03 0.00 0.00 54.58 51.99 1g4b n ASN 24 Cb 0.00 -0.14 -0.11 0.00 -0.61 0.00 0.00 39.78 38.91 1g4b n ASN 24 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1g4b s THR 25 N -1.46 2.95 -0.29 3.41 -4.23 -0.53 -5.10 115.64 110.39 1g4b s THR 25 Ca 0.10 -1.44 -0.22 0.00 -1.18 0.00 0.00 61.69 58.95 1g4b s THR 25 Cb 0.09 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.57 1g4b s THR 25 CO 0.01 0.11 0.72 -0.69 -0.54 0.00 0.00 174.62 174.23 1g4b s VAL 26 N -1.15 4.87 -0.05 2.29 1.01 -1.26 -1.33 120.40 124.78 1g4b s VAL 26 Ca 0.18 1.09 -0.23 0.00 0.00 0.00 0.00 61.98 63.02 1g4b s VAL 26 Cb -0.11 -4.07 -0.18 0.00 0.00 0.00 0.00 36.38 32.03 1g4b s VAL 26 CO 0.11 -0.16 0.97 0.24 0.00 0.00 0.00 175.10 176.25 1g4b h MET 27 N 8.08 -0.14 -4.60 2.72 2.86 -1.32 -3.47 114.93 119.07 1g4b h MET 27 Ca -0.25 0.01 -0.22 0.00 -2.06 0.00 0.00 59.70 57.18 1g4b h MET 27 Cb 1.11 0.03 -0.16 0.00 0.06 0.00 0.00 31.60 32.64 1g4b h MET 27 CO 0.84 0.36 -0.70 0.21 1.06 0.00 0.00 176.91 178.68 1g4b s LYS 28 N -3.52 0.77 0.00 1.72 2.20 -1.17 -5.02 119.74 114.72 1g4b s LYS 28 Ca -0.14 -1.24 0.00 0.00 -0.36 0.00 0.00 55.97 54.23 1g4b s LYS 28 Cb 0.00 -0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.15 1g4b s LYS 28 CO 0.55 -0.02 0.23 0.41 -0.36 0.00 0.00 175.35 176.16 1g4b n GLY 29 N 0.19 -0.16 1.43 5.54 0.00 -1.25 -1.69 105.19 109.26 1g4b n GLY 29 Ca -0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 1g4b n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1g4b n ASN 30 N -0.27 2.71 -4.76 1.61 0.23 -0.92 -4.01 115.26 109.86 1g4b n ASN 30 Ca 0.00 -3.42 -0.41 0.00 -0.53 0.00 0.00 54.58 50.22 1g4b n ASN 30 Cb 0.04 -0.43 -0.02 0.00 -2.08 0.00 0.00 39.78 37.30 1g4b n ASN 30 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1g4b s VAL 31 N -3.36 2.38 -0.69 3.53 1.01 0.79 -4.93 120.40 119.14 1g4b s VAL 31 Ca 0.41 0.34 -0.21 0.00 0.00 0.00 0.00 61.98 62.53 1g4b s VAL 31 Cb 0.38 -3.22 0.09 0.00 0.00 0.00 0.00 36.38 33.64 1g4b s VAL 31 CO -0.04 0.07 0.91 -0.75 0.00 0.00 0.00 175.10 175.29 1g4b s LYS 32 N -1.00 3.19 0.04 2.72 2.20 -1.26 -4.15 119.74 121.47 1g4b s LYS 32 Ca 0.57 -1.18 0.26 0.00 -0.36 0.00 0.00 55.97 55.26 1g4b s LYS 32 Cb -0.44 -4.37 0.76 0.00 -1.51 0.00 0.00 37.83 32.27 1g4b s LYS 32 CO 0.50 -1.72 1.61 1.63 -0.36 0.00 0.00 175.35 177.02 1g4b n LYS 33 N 7.01 0.07 -4.37 4.03 4.01 -1.26 -4.88 118.16 122.78 1g4b n LYS 33 Ca -0.00 0.04 -0.27 0.00 -0.51 0.00 0.00 58.31 57.56 1g4b n LYS 33 Cb 0.45 -1.56 -0.13 0.00 -0.51 0.00 0.00 35.03 33.28 1g4b n LYS 33 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1g4b s VAL 34 N -3.04 2.12 0.17 -0.18 1.01 -1.26 -1.43 120.40 117.80 1g4b s VAL 34 Ca 0.11 -1.76 -0.24 0.00 0.00 0.00 0.00 61.98 60.10 1g4b s VAL 34 Cb 0.17 -1.90 0.06 0.00 0.00 0.00 0.00 36.38 34.70 1g4b s VAL 34 CO 0.64 0.00 0.82 0.00 0.00 0.00 0.00 175.10 176.56 1g4b s ARG 35 N -2.15 1.35 -0.05 2.72 1.70 -0.35 -4.99 118.95 117.18 1g4b s ARG 35 Ca 0.13 -0.69 -0.03 0.00 -0.47 0.00 0.00 55.73 54.67 1g4b s ARG 35 Cb -0.09 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.74 1g4b s ARG 35 CO 0.06 -0.61 0.13 1.03 -1.08 0.00 0.00 175.30 174.83 1g4b s ARG 36 N -3.53 3.30 0.18 3.89 0.52 -1.26 -1.06 118.95 120.99 1g4b s ARG 36 Ca 0.09 -0.31 -0.00 0.00 -0.52 0.00 0.00 55.73 54.99 1g4b s ARG 36 Cb -0.03 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.36 1g4b s ARG 36 CO 0.00 0.70 0.07 -0.51 0.02 0.00 0.00 175.30 175.58 1g4b s LEU 37 N -1.53 1.68 -1.10 2.53 1.02 0.34 -4.80 118.68 116.81 1g4b s LEU 37 Ca 0.21 -1.27 -0.13 0.00 0.02 0.00 0.00 54.13 52.96 1g4b s LEU 37 Cb -0.12 0.20 -0.04 0.00 0.02 0.00 0.00 46.19 46.25 1g4b s LEU 37 CO 0.12 -0.72 0.86 0.00 0.02 0.00 0.00 176.35 176.62 1g4b n TYR 38 N -0.22 -2.18 -3.64 0.29 9.36 -1.26 -1.15 117.16 118.36 1g4b n TYR 38 Ca -0.03 0.66 -0.22 0.00 3.32 0.00 0.00 57.90 61.63 1g4b n TYR 38 Cb 0.65 -3.79 0.06 0.00 -0.63 0.00 0.00 39.34 35.62 1g4b n TYR 38 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1g4b n ASN 39 N -2.95 -2.82 0.00 2.98 4.13 -1.26 -1.94 115.26 113.41 1g4b n ASN 39 Ca -0.09 -0.71 0.00 0.00 1.68 0.00 0.00 54.58 55.46 1g4b n ASN 39 Cb 0.61 -4.50 0.00 0.00 -1.54 0.00 0.00 39.78 34.35 1g4b n ASN 39 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1g4b n ASP 40 N -3.04 -3.47 0.11 6.41 8.00 -1.11 -4.78 116.55 118.67 1g4b n ASP 40 Ca -0.19 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.28 1g4b n ASP 40 Cb 0.63 -2.97 0.04 0.00 -0.02 0.00 0.00 41.12 38.81 1g4b n ASP 40 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1g4b h LYS 41 N 0.00 0.00 -5.35 -1.24 1.79 -1.15 -3.45 116.57 107.18 1g4b h LYS 41 Ca 0.00 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.81 1g4b h LYS 41 Cb 0.58 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 30.95 1g4b h LYS 41 CO 0.00 0.75 -0.79 0.08 -1.08 0.00 0.00 179.45 178.40 1g4b s VAL 42 N -3.13 2.81 -0.10 0.50 1.01 -0.30 -4.57 120.40 116.63 1g4b s VAL 42 Ca 0.01 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 1g4b s VAL 42 Cb 0.11 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1g4b s VAL 42 CO 0.78 0.53 -0.09 0.27 0.00 0.00 0.00 175.10 176.59 1g4b s ILE 43 N 0.32 3.50 0.11 2.22 -4.36 -1.19 0.13 121.20 121.93 1g4b s ILE 43 Ca -0.12 -0.53 0.00 0.00 -0.26 0.00 0.00 60.65 59.74 1g4b s ILE 43 Cb -0.16 -2.46 -0.04 0.00 1.25 0.00 0.00 42.46 41.05 1g4b s ILE 43 CO 0.06 0.56 -0.00 0.00 0.24 0.00 0.00 174.94 175.80 1g4b s ALA 44 N -0.25 0.89 0.04 2.27 0.00 -0.22 -0.92 121.76 123.57 1g4b s ALA 44 Ca 0.03 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1g4b s ALA 44 Cb -0.13 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 1g4b s ALA 44 CO 0.03 -0.37 -0.04 0.20 0.00 0.00 0.00 175.76 175.57 1g4b s GLY 45 N -3.04 0.43 0.01 0.00 0.00 0.73 -1.21 107.32 104.24 1g4b s GLY 45 Ca 0.17 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.99 1g4b s GLY 45 CO -0.02 -0.99 -0.05 -0.11 0.00 0.00 0.00 173.10 171.93 1g4b s PHE 46 N -2.47 0.40 -0.33 1.90 -0.71 -0.51 -1.24 117.98 115.02 1g4b s PHE 46 Ca -0.04 -0.26 0.00 0.00 -1.04 0.00 0.00 56.93 55.59 1g4b s PHE 46 Cb -0.03 -0.25 0.08 0.00 -1.21 0.00 0.00 43.02 41.61 1g4b s PHE 46 CO -0.04 -0.06 0.04 0.00 -1.34 0.00 0.00 175.22 173.82 1g4b s ALA 47 N -0.67 2.87 0.00 1.99 0.00 -0.12 -4.84 121.76 120.99 1g4b s ALA 47 Ca -0.05 -2.14 0.00 0.00 0.00 0.00 0.00 51.96 49.78 1g4b s ALA 47 Cb -0.05 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.08 1g4b s ALA 47 CO -0.00 -1.49 0.00 0.41 0.00 0.00 0.00 175.76 174.68 1g4b n GLY 48 N 4.49 0.61 3.51 0.00 0.00 -1.26 -1.26 105.19 111.28 1g4b n GLY 48 Ca -0.07 -1.46 -0.53 0.00 0.00 0.00 0.00 46.02 43.97 1g4b n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g4b n GLY 49 N 0.00 0.61 0.00 -0.02 0.00 -1.26 -4.79 105.19 99.73 1g4b n GLY 49 Ca 0.00 0.94 0.01 0.00 0.00 0.00 0.00 46.02 46.97 1g4b n GLY 49 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1g4b n THR 50 N 6.41 0.94 -0.00 2.61 -1.04 -1.26 -1.00 114.28 120.94 1g4b n THR 50 Ca 0.38 0.23 -0.01 0.00 -2.04 0.00 0.00 64.05 62.61 1g4b n THR 50 Cb 0.19 -1.20 -0.00 0.00 -1.82 0.00 0.00 70.33 67.49 1g4b n THR 50 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g4b n ALA 51 N -1.25 1.98 -0.33 2.41 0.00 -1.26 -4.35 120.51 117.71 1g4b n ALA 51 Ca 0.01 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.50 1g4b n ALA 51 Cb 0.01 0.44 0.30 0.00 0.00 0.00 0.00 19.45 20.20 1g4b n ALA 51 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1g4b h ASP 52 N 0.00 0.82 0.51 0.00 3.45 -1.72 0.25 116.42 119.73 1g4b h ASP 52 Ca -0.02 0.05 -0.02 0.00 0.43 0.00 0.00 57.03 57.47 1g4b h ASP 52 Cb 1.04 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 39.69 1g4b h ASP 52 CO -0.00 0.41 -0.30 0.00 -1.57 0.00 0.00 179.24 177.77 1g4b h ALA 53 N 1.58 -0.77 -0.94 3.45 0.00 -1.32 -0.99 119.26 120.26 1g4b h ALA 53 Ca 0.50 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.36 1g4b h ALA 53 Cb 0.63 0.37 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 1g4b h ALA 53 CO -0.26 -0.95 -0.53 0.35 0.00 0.00 0.00 179.25 177.85 1g4b h PHE 54 N -0.77 -1.67 -0.36 0.00 3.57 -0.77 0.66 116.94 117.60 1g4b h PHE 54 Ca -0.06 0.12 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1g4b h PHE 54 Cb 0.62 0.86 -0.06 0.00 2.79 0.00 0.00 35.95 40.17 1g4b h PHE 54 CO -0.09 -0.39 0.01 1.15 -2.23 0.00 0.00 178.31 176.76 1g4b h THR 55 N -0.03 0.75 0.34 4.41 2.02 -0.95 -2.53 112.91 116.91 1g4b h THR 55 Ca 0.20 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 1g4b h THR 55 Cb 0.47 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1g4b h THR 55 CO -0.92 0.02 -0.16 -0.07 0.37 0.00 0.00 175.52 174.76 1g4b h LEU 56 N 0.11 -0.38 -1.04 2.58 3.38 0.82 -2.52 115.31 118.26 1g4b h LEU 56 Ca 0.17 -0.09 0.18 0.00 0.09 0.00 0.00 57.88 58.23 1g4b h LEU 56 Cb 0.24 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 40.98 1g4b h LEU 56 CO -0.28 -0.13 0.62 -0.26 0.09 0.00 0.00 178.44 178.47 1g4b h PHE 57 N -0.63 1.06 0.23 1.13 0.04 0.20 0.12 116.94 119.09 1g4b h PHE 57 Ca -0.05 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1g4b h PHE 57 Cb 0.45 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1g4b h PHE 57 CO -0.01 0.28 -0.11 1.49 -0.60 0.00 0.00 178.31 179.36 1g4b h GLU 58 N 0.79 -0.29 -0.89 1.51 4.57 -1.42 -0.15 114.58 118.70 1g4b h GLU 58 Ca 0.56 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.83 1g4b h GLU 58 Cb 0.83 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.42 1g4b h GLU 58 CO -0.35 0.02 0.55 1.25 -1.18 0.00 0.00 179.01 179.30 1g4b h LEU 59 N -0.62 0.84 -0.18 1.64 5.85 -0.92 0.85 115.31 122.78 1g4b h LEU 59 Ca -0.03 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1g4b h LEU 59 Cb 0.45 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1g4b h LEU 59 CO 0.05 0.52 -0.03 0.15 -0.34 0.00 0.00 178.44 178.79 1g4b h PHE 60 N 0.97 -0.06 0.00 1.25 3.57 -0.66 0.41 116.94 122.42 1g4b h PHE 60 Ca 0.40 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.92 1g4b h PHE 60 Cb 0.25 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1g4b h PHE 60 CO -0.03 -0.05 0.00 -1.91 -2.23 0.00 0.00 178.31 174.09 1g4b n GLU 61 N -5.16 0.04 0.04 1.11 2.13 -0.08 0.58 120.64 119.29 1g4b n GLU 61 Ca -0.03 0.44 -0.00 0.00 0.66 0.00 0.00 57.16 58.23 1g4b n GLU 61 Cb 0.11 -1.61 -0.08 0.00 0.27 0.00 0.00 31.44 30.13 1g4b n GLU 61 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1g4b h ARG 62 N 0.00 0.00 0.01 5.31 2.43 0.21 -3.14 114.38 119.20 1g4b h ARG 62 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1g4b h ARG 62 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1g4b h ARG 62 CO 0.00 0.31 -0.01 0.87 -1.51 0.00 0.00 179.97 179.64 1g4b h LYS 63 N 0.00 -0.01 -0.01 0.20 1.79 0.20 -3.06 116.57 115.67 1g4b h LYS 63 Ca -0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1g4b h LYS 63 Cb 1.59 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.24 1g4b h LYS 63 CO 0.05 0.66 0.04 -0.07 -1.08 0.00 0.00 179.45 179.05 1g4b h LEU 64 N -0.71 0.00 0.00 2.94 3.38 -1.38 -3.21 115.31 116.32 1g4b h LEU 64 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1g4b h LEU 64 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1g4b h LEU 64 CO 0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 1g4b n GLU 65 N -3.21 0.00 -2.75 1.13 -0.58 -1.16 -3.68 120.64 110.40 1g4b n GLU 65 Ca -0.03 0.22 -0.39 0.00 -0.42 0.00 0.00 57.16 56.54 1g4b n GLU 65 Cb 0.11 -1.10 0.01 0.00 -0.57 0.00 0.00 31.44 29.88 1g4b n GLU 65 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1g4b n MET 66 N -0.95 5.01 -2.53 3.49 1.56 -1.22 -4.10 117.12 118.38 1g4b n MET 66 Ca 0.00 -4.67 -0.02 0.00 -0.27 0.00 0.00 57.70 52.73 1g4b n MET 66 Cb 0.00 -2.45 0.11 0.00 2.15 0.00 0.00 33.22 33.03 1g4b n MET 66 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1g4b n HIS 67 N 0.15 -1.65 0.00 1.12 8.25 -1.22 -5.03 115.22 116.84 1g4b n HIS 67 Ca 0.42 -1.63 0.00 0.00 -0.26 0.00 0.00 57.72 56.24 1g4b n HIS 67 Cb 0.29 1.34 0.00 0.00 1.12 0.00 0.00 29.99 32.74 1g4b n HIS 67 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1g4b n GLN 68 N -1.34 0.00 0.00 -0.41 -0.06 -1.26 -1.78 117.38 112.53 1g4b n GLN 68 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.83 1g4b n GLN 68 Cb 0.86 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 27.04 1g4b n GLN 68 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1g4b n GLY 69 N 0.00 0.00 3.50 1.69 0.00 -1.24 -4.73 105.19 104.42 1g4b n GLY 69 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1g4b n GLY 69 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1g4b n HIS 70 N 0.00 1.09 -0.05 1.61 -0.00 -0.73 -4.80 115.22 112.34 1g4b n HIS 70 Ca 0.00 0.27 -0.10 0.00 0.46 0.00 0.00 57.72 58.35 1g4b n HIS 70 Cb 0.00 -2.51 -0.04 0.00 -0.12 0.00 0.00 29.99 27.33 1g4b n HIS 70 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1g4b h LEU 71 N 15.05 -1.16 -0.19 0.27 7.12 -1.96 -1.65 115.31 132.78 1g4b h LEU 71 Ca -0.16 0.18 0.04 0.00 0.13 0.00 0.00 57.88 58.06 1g4b h LEU 71 Cb 1.30 0.50 -0.04 0.00 -0.53 0.00 0.00 40.66 41.90 1g4b h LEU 71 CO 1.23 -0.37 -0.05 0.58 -0.13 0.00 0.00 178.44 179.71 1g4b h VAL 72 N -0.37 0.81 0.21 1.05 2.07 -1.92 -0.82 116.25 117.28 1g4b h VAL 72 Ca 0.12 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 1g4b h VAL 72 Cb 0.57 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1g4b h VAL 72 CO -0.45 0.00 -0.10 0.50 0.02 0.00 0.00 177.57 177.54 1g4b h LYS 73 N 0.00 -0.27 0.00 1.57 3.64 -1.91 -1.85 116.57 117.75 1g4b h LYS 73 Ca 0.09 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1g4b h LYS 73 Cb 0.14 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1g4b h LYS 73 CO -0.20 -0.11 -0.02 0.00 -2.27 0.00 0.00 179.45 176.85 1g4b h ALA 74 N 0.39 1.48 -0.11 5.00 0.00 -1.25 -0.15 119.26 124.62 1g4b h ALA 74 Ca -0.03 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1g4b h ALA 74 Cb 0.29 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1g4b h ALA 74 CO 0.05 0.03 -0.58 0.00 0.00 0.00 0.00 179.25 178.75 1g4b h ALA 75 N 1.98 0.22 0.00 0.00 0.00 -0.72 -2.27 119.26 118.46 1g4b h ALA 75 Ca -0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 1g4b h ALA 75 Cb 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1g4b h ALA 75 CO 0.00 0.45 -0.62 0.28 0.00 0.00 0.00 179.25 179.37 1g4b h VAL 76 N 0.21 1.30 0.00 0.00 2.07 -0.69 -2.29 116.25 116.85 1g4b h VAL 76 Ca -0.04 -2.22 -0.07 0.00 0.82 0.00 0.00 66.70 65.19 1g4b h VAL 76 Cb 1.22 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 1g4b h VAL 76 CO 0.12 0.60 -0.35 -0.33 0.02 0.00 0.00 177.57 177.64 1g4b h GLU 77 N 0.00 0.00 0.01 1.57 4.39 -1.06 -2.41 114.58 117.08 1g4b h GLU 77 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1g4b h GLU 77 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1g4b h GLU 77 CO 0.08 0.35 -0.00 1.25 -1.16 0.00 0.00 179.01 179.52 1g4b h LEU 78 N 0.00 -0.01 -2.02 1.33 5.85 -1.10 -2.88 115.31 116.47 1g4b h LEU 78 Ca -0.00 -0.77 0.10 0.00 0.84 0.00 0.00 57.88 58.05 1g4b h LEU 78 Cb 0.92 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1g4b h LEU 78 CO 0.05 0.86 0.27 0.00 -0.34 0.00 0.00 178.44 179.28 1g4b h ALA 79 N -0.17 2.30 0.58 1.25 0.00 -1.46 0.65 119.26 122.41 1g4b h ALA 79 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1g4b h ALA 79 Cb 0.78 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1g4b h ALA 79 CO 0.00 -0.45 -0.28 -0.22 0.00 0.00 0.00 179.25 178.30 1g4b h LYS 80 N 0.00 -0.75 -0.75 0.00 3.64 -1.45 0.16 116.57 117.42 1g4b h LYS 80 Ca 0.17 0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.55 1g4b h LYS 80 Cb 0.71 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1g4b h LYS 80 CO -0.00 -0.46 0.25 -0.44 -2.27 0.00 0.00 179.45 176.53 1g4b h ASP 81 N -0.89 1.07 0.16 4.20 3.32 -0.90 -2.43 116.42 120.96 1g4b h ASP 81 Ca -0.08 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.79 1g4b h ASP 81 Cb 0.64 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1g4b h ASP 81 CO 0.13 0.98 -0.25 -0.25 -1.72 0.00 0.00 179.24 178.13 1g4b h TRP 82 N 1.11 -0.67 0.00 4.55 2.91 0.44 -2.35 115.95 121.94 1g4b h TRP 82 Ca 0.24 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.27 1g4b h TRP 82 Cb 0.28 0.27 0.00 0.00 -0.51 0.00 0.00 29.16 29.21 1g4b h TRP 82 CO 0.02 -0.36 0.00 -0.09 -1.03 0.00 0.00 178.44 176.99 1g4b h ARG 83 N -0.48 0.00 0.00 2.65 2.43 -0.61 -1.93 114.38 116.44 1g4b h ARG 83 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1g4b h ARG 83 Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1g4b h ARG 83 CO -0.12 0.00 0.00 2.41 -1.51 0.00 0.00 179.97 180.75 1g4b n THR 84 N -3.02 0.00 -0.72 0.20 -1.04 -0.92 -4.78 114.28 104.00 1g4b n THR 84 Ca 0.01 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.74 1g4b n THR 84 Cb 0.31 -0.19 -0.04 0.00 -1.82 0.00 0.00 70.33 68.60 1g4b n THR 84 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1g4b n ASP 85 N 0.00 -0.02 -0.37 8.00 10.43 -0.93 -4.47 116.55 129.20 1g4b n ASP 85 Ca 0.00 0.56 0.01 0.00 2.57 0.00 0.00 54.79 57.93 1g4b n ASP 85 Cb 0.00 -0.44 0.16 0.00 1.84 0.00 0.00 41.12 42.67 1g4b n ASP 85 CO 0.00 0.00 0.00 0.08 -1.07 0.00 0.00 177.20 176.21 1g4b h ARG 86 N 1.42 1.18 0.00 -1.24 0.11 -1.91 0.93 114.38 114.87 1g4b h ARG 86 Ca -0.24 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 59.77 1g4b h ARG 86 Cb 0.69 -0.27 0.00 0.00 1.11 0.00 0.00 29.97 31.50 1g4b h ARG 86 CO 0.31 0.78 0.00 -1.33 0.10 0.00 0.00 179.97 179.83 1g4b n MET 87 N -4.48 0.00 -0.01 0.08 2.81 -1.26 -1.43 117.12 112.83 1g4b n MET 87 Ca 0.14 0.58 -0.09 0.00 -1.81 0.00 0.00 57.70 56.52 1g4b n MET 87 Cb 0.14 -1.46 -0.03 0.00 -0.71 0.00 0.00 33.22 31.16 1g4b n MET 87 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1g4b h LEU 88 N 0.00 -0.55 -1.80 4.03 -0.00 -1.78 -1.13 115.31 114.07 1g4b h LEU 88 Ca 0.00 0.10 0.27 0.00 -0.00 0.00 0.00 57.88 58.25 1g4b h LEU 88 Cb 0.00 0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 40.89 1g4b h LEU 88 CO 0.00 -0.22 0.82 -0.09 -0.00 0.00 0.00 178.44 178.94 1g4b h ARG 89 N -0.21 0.00 -0.11 1.13 2.43 0.17 -1.10 114.38 116.69 1g4b h ARG 89 Ca 0.10 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1g4b h ARG 89 Cb 0.37 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1g4b h ARG 89 CO -0.28 0.00 0.01 -0.22 -1.51 0.00 0.00 179.97 177.97 1g4b h LYS 90 N 0.00 0.20 -6.84 0.20 3.11 -0.01 -3.45 116.57 109.77 1g4b h LYS 90 Ca 0.44 -0.06 -0.50 0.00 -2.81 0.00 0.00 60.65 57.72 1g4b h LYS 90 Cb 2.07 -0.02 0.02 0.00 -1.00 0.00 0.00 32.23 33.30 1g4b h LYS 90 CO -0.00 0.43 0.46 -0.48 -2.81 0.00 0.00 179.45 177.05 1g4b s LEU 91 N -9.56 4.45 -0.07 5.20 0.05 -0.42 -5.06 118.68 113.27 1g4b s LEU 91 Ca -0.14 2.22 0.05 0.00 0.05 0.00 0.00 54.13 56.30 1g4b s LEU 91 Cb 0.05 -3.76 -0.01 0.00 -2.05 0.00 0.00 46.19 40.42 1g4b s LEU 91 CO 0.70 -0.23 -0.22 -1.83 -0.55 0.00 0.00 176.35 174.22 1g4b s GLU 92 N -1.70 2.67 0.00 1.48 -1.05 -1.26 -4.94 118.70 113.90 1g4b s GLU 92 Ca 0.48 -0.84 0.00 0.00 -0.15 0.00 0.00 54.97 54.46 1g4b s GLU 92 Cb -0.30 -2.27 0.00 0.00 -0.44 0.00 0.00 34.13 31.13 1g4b s GLU 92 CO 0.38 0.39 0.00 0.00 0.95 0.00 0.00 175.26 176.98 1g4b n ALA 93 N 2.94 0.00 -2.67 -0.84 0.00 -1.26 -4.08 120.51 114.60 1g4b n ALA 93 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.88 1g4b n ALA 93 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 1g4b n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1g4b s LEU 94 N 0.00 4.16 -0.16 0.00 1.43 -0.39 -4.38 118.68 119.35 1g4b s LEU 94 Ca 0.00 0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 53.59 1g4b s LEU 94 Cb 0.00 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 1g4b s LEU 94 CO 0.00 -0.07 -0.03 -0.76 0.23 0.00 0.00 176.35 175.72 1g4b s LEU 95 N 1.26 3.27 -0.29 1.79 1.43 -0.63 -0.94 118.68 124.56 1g4b s LEU 95 Ca 0.19 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 1g4b s LEU 95 Cb -0.15 -1.79 0.08 0.00 0.03 0.00 0.00 46.19 44.37 1g4b s LEU 95 CO 0.08 0.16 0.02 0.00 0.23 0.00 0.00 176.35 176.85 1g4b s ALA 96 N 0.39 2.18 -0.04 4.21 0.00 -0.38 -0.02 121.76 128.10 1g4b s ALA 96 Ca -0.04 -1.86 0.06 0.00 0.00 0.00 0.00 51.96 50.13 1g4b s ALA 96 Cb -0.14 -1.67 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 1g4b s ALA 96 CO 0.03 -1.49 -0.24 0.54 0.00 0.00 0.00 175.76 174.60 1g4b s VAL 97 N 1.28 1.91 0.46 0.00 0.11 -0.72 -0.20 120.40 123.24 1g4b s VAL 97 Ca 0.04 -1.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.10 1g4b s VAL 97 Cb -0.18 -1.61 -0.00 0.00 -1.53 0.00 0.00 36.38 33.05 1g4b s VAL 97 CO -0.12 0.54 0.04 0.00 -3.33 0.00 0.00 175.10 172.23 1g4b n ALA 98 N 2.83 0.46 0.00 1.54 0.00 -0.09 -0.90 120.51 124.34 1g4b n ALA 98 Ca -0.17 -2.13 0.00 0.00 0.00 0.00 0.00 53.44 51.14 1g4b n ALA 98 Cb 0.52 1.24 0.00 0.00 0.00 0.00 0.00 19.45 21.21 1g4b n ALA 98 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1g4b n ASP 99 N -1.37 0.00 -0.08 0.00 -0.08 -1.22 -3.19 116.55 110.61 1g4b n ASP 99 Ca -0.16 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.14 1g4b n ASP 99 Cb 0.61 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.10 1g4b n ASP 99 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1g4b n GLU 100 N -0.41 -0.02 0.00 -0.67 1.02 -1.26 -1.45 120.64 117.84 1g4b n GLU 100 Ca 0.00 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1g4b n GLU 100 Cb 0.00 -0.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 1g4b n GLU 100 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1g4b n THR 101 N -4.34 0.00 -3.47 2.62 -1.04 -1.26 -5.00 114.28 101.78 1g4b n THR 101 Ca 0.04 1.18 -0.14 0.00 -2.04 0.00 0.00 64.05 63.09 1g4b n THR 101 Cb 0.12 -2.13 -0.04 0.00 -1.82 0.00 0.00 70.33 66.46 1g4b n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g4b s ALA 102 N -2.89 -1.69 0.02 2.41 0.00 -0.53 -5.17 121.76 113.91 1g4b s ALA 102 Ca 0.00 0.88 0.01 0.00 0.00 0.00 0.00 51.96 52.85 1g4b s ALA 102 Cb 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 1g4b s ALA 102 CO 0.00 -0.60 0.09 -1.54 0.00 0.00 0.00 175.76 173.71 1g4b s SER 103 N -2.08 5.67 0.22 0.00 1.04 -1.26 -3.45 113.70 113.84 1g4b s SER 103 Ca -0.03 0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.34 1g4b s SER 103 Cb -0.01 -1.61 0.02 0.00 0.10 0.00 0.00 66.02 64.52 1g4b s SER 103 CO -0.03 0.24 0.54 -1.48 0.98 0.00 0.00 173.24 173.49 1g4b s LEU 104 N -1.95 0.10 -0.10 2.42 0.05 -0.08 -4.66 118.68 114.46 1g4b s LEU 104 Ca 0.25 -0.63 -0.03 0.00 0.05 0.00 0.00 54.13 53.77 1g4b s LEU 104 Cb -0.12 2.13 -0.04 0.00 -2.05 0.00 0.00 46.19 46.12 1g4b s LEU 104 CO 0.17 -1.13 0.04 -0.63 -0.55 0.00 0.00 176.35 174.25 1g4b s ILE 105 N -3.92 4.63 -0.05 1.48 1.01 0.42 -1.76 121.20 123.01 1g4b s ILE 105 Ca 0.13 -0.12 0.06 0.00 0.00 0.00 0.00 60.65 60.71 1g4b s ILE 105 Cb -0.02 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 1g4b s ILE 105 CO 0.02 0.60 -0.22 -0.63 0.00 0.00 0.00 174.94 174.71 1g4b s ILE 106 N -0.83 1.78 0.32 2.92 1.01 0.97 -0.88 121.20 126.50 1g4b s ILE 106 Ca 0.13 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.89 1g4b s ILE 106 Cb -0.12 -1.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 1g4b s ILE 106 CO 0.03 0.50 0.08 0.42 0.00 0.00 0.00 174.94 175.97 1g4b s THR 107 N -0.13 0.95 0.33 2.92 -4.23 -0.60 -1.61 115.64 113.27 1g4b s THR 107 Ca -0.02 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.53 1g4b s THR 107 Cb -0.12 -2.69 0.16 0.00 1.34 0.00 0.00 72.50 71.19 1g4b s THR 107 CO 0.03 0.00 1.87 1.23 -0.54 0.00 0.00 174.62 177.21 1g4b h GLY 108 N 2.13 0.58 -1.34 3.99 0.00 -1.90 -2.76 103.07 103.76 1g4b h GLY 108 Ca -0.39 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1g4b h GLY 108 CO 0.66 0.32 0.00 0.70 0.00 0.00 0.00 176.54 178.21 1g4b n ASN 109 N -4.28 0.49 -3.87 0.19 4.13 -1.26 -3.86 115.26 106.79 1g4b n ASN 109 Ca 0.02 -0.58 -0.25 0.00 1.68 0.00 0.00 54.58 55.45 1g4b n ASN 109 Cb 0.24 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.34 1g4b n ASN 109 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1g4b n GLY 110 N 0.53 -0.29 3.31 7.41 0.00 -1.04 -4.95 105.19 110.15 1g4b n GLY 110 Ca 0.00 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1g4b n GLY 110 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1g4b s ASP 111 N -4.21 3.58 -0.39 1.61 -1.08 -1.23 -4.88 116.67 110.07 1g4b s ASP 111 Ca 0.11 -0.43 0.04 0.00 -0.52 0.00 0.00 52.55 51.75 1g4b s ASP 111 Cb -0.06 -1.46 0.11 0.00 -1.46 0.00 0.00 42.92 40.05 1g4b s ASP 111 CO 0.86 0.17 0.11 -0.69 0.52 0.00 0.00 175.17 176.14 1g4b s VAL 112 N 0.28 2.32 -0.05 1.11 1.01 -1.26 -1.56 120.40 122.26 1g4b s VAL 112 Ca -0.13 -2.60 -0.00 0.00 0.00 0.00 0.00 61.98 59.24 1g4b s VAL 112 Cb -0.16 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1g4b s VAL 112 CO 0.07 -0.66 -0.00 -0.69 0.00 0.00 0.00 175.10 173.82 1g4b s VAL 113 N 0.58 4.22 -0.37 2.92 1.01 -0.06 -4.93 120.40 123.76 1g4b s VAL 113 Ca 0.13 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1g4b s VAL 113 Cb -0.21 -2.82 0.11 0.00 0.00 0.00 0.00 36.38 33.46 1g4b s VAL 113 CO -0.06 0.50 0.10 -1.58 0.00 0.00 0.00 175.10 174.07 1g4b s GLN 114 N -1.19 1.40 1.04 2.72 0.74 -1.26 0.16 119.66 123.27 1g4b s GLN 114 Ca 0.16 -1.86 -0.21 0.00 0.05 0.00 0.00 55.36 53.51 1g4b s GLN 114 Cb -0.11 -2.94 0.00 0.00 1.10 0.00 0.00 33.01 31.06 1g4b s GLN 114 CO 0.06 -0.99 -0.52 -2.30 -0.55 0.00 0.00 175.29 170.99 1g4b n PRO 115 N 4.13 -1.07 0.00 1.67 -0.02 -1.26 -4.86 135.00 133.58 1g4b n PRO 115 Ca 0.03 -0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.21 1g4b n PRO 115 Cb 0.40 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1g4b n PRO 115 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1g4b n GLU 116 N -0.26 0.00 -1.52 -0.52 -0.58 -1.26 -3.21 120.64 113.30 1g4b n GLU 116 Ca 0.00 0.01 -0.28 0.00 -0.42 0.00 0.00 57.16 56.48 1g4b n GLU 116 Cb 0.61 -0.52 -0.06 0.00 -0.57 0.00 0.00 31.44 30.91 1g4b n GLU 116 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1g4b n ASN 117 N -0.03 6.60 -1.66 1.62 4.13 -1.26 -4.71 115.26 119.95 1g4b n ASN 117 Ca 0.00 -3.13 -0.14 0.00 1.68 0.00 0.00 54.58 52.99 1g4b n ASN 117 Cb 0.00 -1.27 -0.05 0.00 -1.54 0.00 0.00 39.78 36.93 1g4b n ASN 117 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1g4b n ASP 118 N 1.14 -3.74 -4.53 6.41 9.92 -1.20 -4.60 116.55 119.96 1g4b n ASP 118 Ca 0.50 0.29 -0.43 0.00 -0.53 0.00 0.00 54.79 54.63 1g4b n ASP 118 Cb 0.54 -3.39 -0.07 0.00 -0.64 0.00 0.00 41.12 37.55 1g4b n ASP 118 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1g4b s LEU 119 N -4.27 4.49 -0.08 0.64 2.96 -1.26 -4.41 118.68 116.73 1g4b s LEU 119 Ca 0.00 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1g4b s LEU 119 Cb 0.00 -2.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 1g4b s LEU 119 CO 0.00 -0.67 -0.06 -0.63 -1.32 0.00 0.00 176.35 173.66 1g4b s ILE 120 N 2.64 3.74 -0.43 6.68 1.01 -0.60 -4.61 121.20 129.64 1g4b s ILE 120 Ca 0.21 -0.45 0.05 0.00 0.00 0.00 0.00 60.65 60.45 1g4b s ILE 120 Cb -0.15 -2.55 0.17 0.00 0.01 0.00 0.00 42.46 39.94 1g4b s ILE 120 CO 0.17 0.58 0.47 0.00 0.00 0.00 0.00 174.94 176.16 1g4b s ALA 121 N -0.61 -0.40 0.64 9.38 0.00 -1.25 -0.30 121.76 129.21 1g4b s ALA 121 Ca 0.09 -1.25 0.06 0.00 0.00 0.00 0.00 51.96 50.86 1g4b s ALA 121 Cb -0.12 -2.12 0.11 0.00 0.00 0.00 0.00 23.12 20.99 1g4b s ALA 121 CO 0.02 -2.12 0.88 0.96 0.00 0.00 0.00 175.76 175.50 1g4b s ILE 122 N 0.85 2.10 0.00 0.00 -4.36 -0.57 -4.10 121.20 115.12 1g4b s ILE 122 Ca 0.26 -0.85 0.00 0.00 -0.26 0.00 0.00 60.65 59.80 1g4b s ILE 122 Cb -0.05 -2.25 0.00 0.00 1.25 0.00 0.00 42.46 41.41 1g4b s ILE 122 CO -0.09 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.70 1g4b n GLY 123 N -2.49 -1.18 0.22 6.27 0.00 -1.26 -2.25 105.19 104.51 1g4b n GLY 123 Ca 0.16 -1.61 0.11 0.00 0.00 0.00 0.00 46.02 44.68 1g4b n GLY 123 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1g4b h SER 124 N 0.00 0.00 -0.01 1.61 4.64 -1.26 -0.61 113.55 117.92 1g4b h SER 124 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1g4b h SER 124 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1g4b h SER 124 CO 0.00 0.00 -0.13 0.61 -0.87 0.00 0.00 176.83 176.44 1g4b n GLY 125 N -1.25 -0.20 0.34 -0.77 0.00 -0.89 -4.72 105.19 97.70 1g4b n GLY 125 Ca -0.01 -0.33 0.05 0.00 0.00 0.00 0.00 46.02 45.73 1g4b n GLY 125 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1g4b h GLY 126 N 2.34 0.68 0.37 -0.02 0.00 -0.84 -1.08 103.07 104.52 1g4b h GLY 126 Ca 0.00 0.31 0.04 0.00 0.00 0.00 0.00 47.33 47.69 1g4b h GLY 126 CO 0.00 -0.36 -0.21 -2.55 0.00 0.00 0.00 176.54 173.42 1g4b h PRO 127 N -0.00 -0.27 -0.22 4.80 0.11 -1.81 0.14 132.00 134.75 1g4b h PRO 127 Ca 0.45 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.60 1g4b h PRO 127 Cb 0.69 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 1g4b h PRO 127 CO -0.98 -0.18 0.08 1.88 -0.21 0.00 0.00 178.00 178.59 1g4b h TYR 128 N -0.28 0.15 -0.20 0.65 0.05 -1.62 0.22 116.97 115.94 1g4b h TYR 128 Ca 0.09 0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.94 1g4b h TYR 128 Cb 0.42 -0.04 -0.06 0.00 1.01 0.00 0.00 36.73 38.06 1g4b h TYR 128 CO -0.31 0.08 -0.22 0.00 -1.05 0.00 0.00 178.16 176.66 1g4b h ALA 129 N 1.13 -0.13 -0.10 3.88 0.00 -0.86 -1.48 119.26 121.71 1g4b h ALA 129 Ca 0.09 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1g4b h ALA 129 Cb 0.05 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1g4b h ALA 129 CO -0.09 -0.66 0.06 0.37 0.00 0.00 0.00 179.25 178.93 1g4b h GLN 130 N -0.25 0.13 -0.79 0.00 4.15 -0.27 0.71 115.11 118.80 1g4b h GLN 130 Ca 0.12 -0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.66 1g4b h GLN 130 Cb 0.43 -0.03 -0.09 0.00 0.21 0.00 0.00 27.48 28.00 1g4b h GLN 130 CO -0.34 0.15 0.37 0.00 -1.93 0.00 0.00 178.83 177.08 1g4b h ALA 131 N 0.98 1.14 -0.02 3.38 0.00 -0.21 0.29 119.26 124.81 1g4b h ALA 131 Ca 0.03 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 1g4b h ALA 131 Cb 0.05 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1g4b h ALA 131 CO -0.01 -0.13 -0.57 0.00 0.00 0.00 0.00 179.25 178.55 1g4b h ALA 132 N 1.53 0.10 -0.20 0.00 0.00 -0.96 -2.51 119.26 117.23 1g4b h ALA 132 Ca 0.42 -0.55 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1g4b h ALA 132 Cb 0.59 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1g4b h ALA 132 CO -0.36 0.35 0.19 0.00 0.00 0.00 0.00 179.25 179.42 1g4b h ALA 133 N 0.35 1.92 0.19 0.00 0.00 0.12 -2.35 119.26 119.49 1g4b h ALA 133 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1g4b h ALA 133 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1g4b h ALA 133 CO 0.11 -0.29 -0.09 -0.09 0.00 0.00 0.00 179.25 178.89 1g4b h ARG 134 N 0.00 -0.25 -1.39 0.00 9.65 -0.36 -2.05 114.38 119.99 1g4b h ARG 134 Ca 0.09 0.02 0.40 0.00 -1.10 0.00 0.00 59.98 59.39 1g4b h ARG 134 Cb 0.47 0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 29.05 1g4b h ARG 134 CO -0.00 -0.04 0.99 0.00 2.80 0.00 0.00 179.97 183.72 1g4b h ALA 135 N -0.88 3.30 0.00 2.80 0.00 -1.02 0.30 119.26 123.75 1g4b h ALA 135 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1g4b h ALA 135 Cb 0.32 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1g4b h ALA 135 CO 0.04 -1.70 -0.14 -0.07 0.00 0.00 0.00 179.25 177.39 1g4b h LEU 136 N 0.01 0.00 -1.87 0.00 4.07 -1.50 -2.54 115.31 113.48 1g4b h LEU 136 Ca 0.66 0.00 0.38 0.00 0.08 0.00 0.00 57.88 59.00 1g4b h LEU 136 Cb 2.64 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 44.31 1g4b h LEU 136 CO -0.02 0.37 0.92 0.25 -1.08 0.00 0.00 178.44 178.88 1g4b h LEU 137 N -0.61 0.08 0.02 1.67 5.85 -0.78 0.16 115.31 121.71 1g4b h LEU 137 Ca 0.00 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1g4b h LEU 137 Cb 0.14 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1g4b h LEU 137 CO 0.00 -0.00 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.01 1g4b h GLU 138 N 0.06 -0.02 -1.03 1.25 4.57 -0.55 -3.38 114.58 115.47 1g4b h GLU 138 Ca 0.65 0.00 -0.59 0.00 -1.18 0.00 0.00 59.36 58.24 1g4b h GLU 138 Cb 2.42 0.01 -0.40 0.00 -0.16 0.00 0.00 28.75 30.61 1g4b h GLU 138 CO -0.08 0.70 -0.51 0.09 -1.18 0.00 0.00 179.01 178.04 1g4b n ASN 139 N -4.73 5.33 -3.50 1.04 5.03 -0.29 -5.03 115.26 113.10 1g4b n ASN 139 Ca -0.09 -3.75 -0.15 0.00 0.87 0.00 0.00 54.58 51.46 1g4b n ASN 139 Cb 0.36 -0.48 -0.05 0.00 -1.02 0.00 0.00 39.78 38.60 1g4b n ASN 139 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1g4b s THR 140 N -4.88 0.00 -2.57 3.41 2.01 0.42 -4.91 115.64 109.12 1g4b s THR 140 Ca 0.52 0.00 0.24 0.00 0.31 0.00 0.00 61.69 62.75 1g4b s THR 140 Cb 0.42 -1.00 0.39 0.00 0.01 0.00 0.00 72.50 72.32 1g4b s THR 140 CO -0.05 0.00 1.39 1.21 -0.69 0.00 0.00 174.62 176.48 1g4b n GLU 141 N 0.45 2.48 -1.56 4.92 4.07 -1.26 -4.67 120.64 125.05 1g4b n GLU 141 Ca -0.17 -2.22 -0.41 0.00 -0.06 0.00 0.00 57.16 54.30 1g4b n GLU 141 Cb 0.60 -1.51 0.02 0.00 -0.06 0.00 0.00 31.44 30.49 1g4b n GLU 141 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1g4b n LEU 142 N 1.46 2.00 -4.61 4.31 4.77 -1.26 -4.96 117.00 118.71 1g4b n LEU 142 Ca 0.19 0.96 -0.29 0.00 -0.03 0.00 0.00 56.01 56.84 1g4b n LEU 142 Cb 0.61 -1.29 0.20 0.00 -2.33 0.00 0.00 43.42 40.61 1g4b n LEU 142 CO 0.16 -1.95 0.60 -0.94 -1.33 0.00 0.00 177.39 173.92 1g4b s SER 143 N -0.87 2.06 0.34 -1.43 1.04 -1.26 -4.77 113.70 108.80 1g4b s SER 143 Ca 0.65 1.41 0.02 0.00 0.48 0.00 0.00 55.95 58.51 1g4b s SER 143 Cb -0.55 -2.11 0.62 0.00 0.10 0.00 0.00 66.02 64.07 1g4b s SER 143 CO 0.56 -3.52 1.97 0.00 0.98 0.00 0.00 173.24 173.24 1g4b h ALA 144 N -2.15 1.56 -0.04 5.32 0.00 -1.88 -1.99 119.26 120.09 1g4b h ALA 144 Ca -0.56 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.09 1g4b h ALA 144 Cb 1.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1g4b h ALA 144 CO 0.53 0.37 -0.88 -0.09 0.00 0.00 0.00 179.25 179.18 1g4b h ARG 145 N 0.90 0.48 -0.36 0.00 2.43 -1.91 -2.29 114.38 113.64 1g4b h ARG 145 Ca 0.29 -0.47 -0.11 0.00 -0.81 0.00 0.00 59.98 58.88 1g4b h ARG 145 Cb 0.04 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1g4b h ARG 145 CO -0.08 1.11 -0.22 1.49 -1.51 0.00 0.00 179.97 180.76 1g4b h GLU 146 N 0.29 0.70 -0.01 0.20 4.81 -1.79 -2.04 114.58 116.75 1g4b h GLU 146 Ca -0.07 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 58.84 1g4b h GLU 146 Cb 1.50 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.85 1g4b h GLU 146 CO 0.16 0.86 -0.18 0.82 -0.73 0.00 0.00 179.01 179.93 1g4b h ILE 147 N 0.62 1.54 -0.66 2.32 2.04 -1.42 -0.82 117.51 121.13 1g4b h ILE 147 Ca 0.09 -1.86 0.10 0.00 1.00 0.00 0.00 64.86 64.19 1g4b h ILE 147 Cb 0.70 2.72 -0.08 0.00 -0.74 0.00 0.00 36.82 39.42 1g4b h ILE 147 CO 0.05 0.50 0.27 0.00 0.00 0.00 0.00 178.15 178.98 1g4b h ALA 148 N 0.28 0.88 -0.10 1.87 0.00 -1.43 0.77 119.26 121.53 1g4b h ALA 148 Ca -0.02 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1g4b h ALA 148 Cb 0.92 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1g4b h ALA 148 CO 0.04 -0.15 -0.19 1.49 0.00 0.00 0.00 179.25 180.43 1g4b h GLU 149 N 0.47 0.31 -0.25 0.00 4.81 -1.43 -0.55 114.58 117.94 1g4b h GLU 149 Ca 0.34 -0.20 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1g4b h GLU 149 Cb 0.41 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1g4b h GLU 149 CO -0.31 0.79 -0.28 0.87 -0.73 0.00 0.00 179.01 179.35 1g4b h LYS 150 N -0.13 0.49 -0.36 1.92 1.57 -0.73 -1.08 116.57 118.26 1g4b h LYS 150 Ca 0.00 -0.20 -0.15 0.00 -1.87 0.00 0.00 60.65 58.44 1g4b h LYS 150 Cb 0.78 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1g4b h LYS 150 CO 0.04 0.73 -0.36 0.00 -0.57 0.00 0.00 179.45 179.29 1g4b h ALA 151 N 1.27 0.69 -0.43 3.86 0.00 0.55 -2.56 119.26 122.64 1g4b h ALA 151 Ca 0.06 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1g4b h ALA 151 Cb 0.71 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1g4b h ALA 151 CO 0.05 0.67 -0.10 1.25 0.00 0.00 0.00 179.25 181.12 1g4b h LEU 152 N 0.68 0.75 -0.58 0.00 6.46 -0.72 -2.05 115.31 119.86 1g4b h LEU 152 Ca 0.06 -0.22 -0.14 0.00 -0.12 0.00 0.00 57.88 57.47 1g4b h LEU 152 Cb 0.92 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 1g4b h LEU 152 CO 0.08 0.88 -0.37 0.44 -0.62 0.00 0.00 178.44 178.85 1g4b h ASP 153 N 0.69 0.77 -0.84 1.25 3.32 -1.09 -1.96 116.42 118.57 1g4b h ASP 153 Ca 0.12 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 1g4b h ASP 153 Cb 0.57 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 1g4b h ASP 153 CO 0.04 1.06 0.48 0.40 -1.72 0.00 0.00 179.24 179.50 1g4b h ILE 154 N 0.60 1.24 0.35 0.35 2.04 -1.17 -1.91 117.51 119.02 1g4b h ILE 154 Ca 0.06 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 1g4b h ILE 154 Cb 0.91 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1g4b h ILE 154 CO 0.08 0.26 -0.17 0.00 0.00 0.00 0.00 178.15 178.32 1g4b h ALA 155 N 1.26 -0.47 -1.04 1.87 0.00 -1.20 -2.40 119.26 117.27 1g4b h ALA 155 Ca 0.30 -0.12 0.29 0.00 0.00 0.00 0.00 54.91 55.37 1g4b h ALA 155 Cb -0.01 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1g4b h ALA 155 CO -0.05 -0.73 0.73 0.78 0.00 0.00 0.00 179.25 179.98 1g4b h GLY 156 N -0.54 0.38 1.38 0.00 0.00 -0.98 0.38 103.07 103.70 1g4b h GLY 156 Ca -0.05 -0.07 -0.17 0.00 0.00 0.00 0.00 47.33 47.05 1g4b h GLY 156 CO 0.08 -0.04 -0.53 -0.55 0.00 0.00 0.00 176.54 175.50 1g4b h ASP 157 N 0.13 0.72 0.08 0.19 3.45 -0.86 -3.35 116.42 116.79 1g4b h ASP 157 Ca 0.53 -0.38 -0.32 0.00 0.43 0.00 0.00 57.03 57.28 1g4b h ASP 157 Cb 1.83 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 40.37 1g4b h ASP 157 CO -0.09 1.12 -1.76 -0.38 -1.57 0.00 0.00 179.24 176.56 1g4b n ILE 158 N -3.98 1.70 -2.59 0.35 5.41 0.25 -4.90 119.36 115.61 1g4b n ILE 158 Ca -0.03 -0.44 -0.43 0.00 1.00 0.00 0.00 62.75 62.85 1g4b n ILE 158 Cb 0.60 -1.84 -0.02 0.00 -0.71 0.00 0.00 39.64 37.67 1g4b n ILE 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1g4b h ILE 160 N 5.29 0.00 -0.61 0.00 2.04 -1.88 -2.71 117.51 119.64 1g4b h ILE 160 Ca -0.26 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1g4b h ILE 160 Cb 1.11 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1g4b h ILE 160 CO 0.93 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 177.86 1g4b n TYR 161 N -2.80 1.50 -4.10 1.37 4.01 -1.26 -4.93 117.16 110.95 1g4b n TYR 161 Ca 0.01 -0.64 -0.16 0.00 -0.16 0.00 0.00 57.90 56.95 1g4b n TYR 161 Cb 0.26 -0.28 -0.15 0.00 -0.31 0.00 0.00 39.34 38.87 1g4b n TYR 161 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1g4b s THR 162 N -1.99 0.35 0.52 -0.72 -4.23 -1.02 -3.11 115.64 105.44 1g4b s THR 162 Ca 0.50 -0.16 0.06 0.00 -1.18 0.00 0.00 61.69 60.92 1g4b s THR 162 Cb 0.34 -0.32 0.03 0.00 1.34 0.00 0.00 72.50 73.89 1g4b s THR 162 CO 0.22 0.11 0.42 0.54 -0.54 0.00 0.00 174.62 175.37 1g4b s ASN 163 N 0.09 4.70 -0.26 3.99 2.20 -1.26 -4.62 114.94 119.77 1g4b s ASN 163 Ca -0.01 -1.16 0.05 0.00 -0.94 0.00 0.00 52.86 50.81 1g4b s ASN 163 Cb -0.04 0.25 0.51 0.00 -2.00 0.00 0.00 41.25 39.97 1g4b s ASN 163 CO -0.00 -1.04 1.55 1.41 -2.94 0.00 0.00 177.10 176.08 1g4b n HIS 164 N -1.75 1.92 -3.24 1.54 8.25 -1.26 -4.43 115.22 116.25 1g4b n HIS 164 Ca 0.00 -1.11 -0.39 0.00 -0.26 0.00 0.00 57.72 55.95 1g4b n HIS 164 Cb 0.64 -0.62 -0.07 0.00 1.12 0.00 0.00 29.99 31.06 1g4b n HIS 164 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1g4b s PHE 165 N -2.29 3.35 0.29 4.41 5.36 -1.26 -4.99 117.98 122.85 1g4b s PHE 165 Ca 0.40 0.74 0.08 0.00 -0.96 0.00 0.00 56.93 57.19 1g4b s PHE 165 Cb 0.32 -2.68 -0.04 0.00 -0.34 0.00 0.00 43.02 40.28 1g4b s PHE 165 CO 0.09 -0.14 0.18 -1.01 -1.46 0.00 0.00 175.22 172.88 1g4b s HIS 166 N 1.80 2.92 -0.27 10.12 3.76 -1.26 -1.71 115.29 130.64 1g4b s HIS 166 Ca 0.23 -0.23 -0.00 0.00 -0.15 0.00 0.00 55.06 54.91 1g4b s HIS 166 Cb -0.15 -1.51 0.15 0.00 1.11 0.00 0.00 32.58 32.17 1g4b s HIS 166 CO 0.09 0.41 0.39 0.99 -0.85 0.00 0.00 174.74 175.78 1g4b s THR 167 N -2.26 -0.60 0.11 1.30 2.01 -1.03 -4.95 115.64 110.21 1g4b s THR 167 Ca 0.36 -0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.23 1g4b s THR 167 Cb -0.06 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 1g4b s THR 167 CO 0.24 -0.22 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.18 1g4b s ILE 168 N 2.53 3.10 0.08 1.82 1.01 -1.26 -2.69 121.20 125.79 1g4b s ILE 168 Ca 0.11 -1.38 0.03 0.00 0.00 0.00 0.00 60.65 59.41 1g4b s ILE 168 Cb -0.14 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 1g4b s ILE 168 CO -0.24 0.11 -0.09 -1.61 0.00 0.00 0.00 174.94 173.11 1g4b s GLU 169 N -2.16 0.76 0.19 2.79 0.41 -1.04 -5.02 118.70 114.63 1g4b s GLU 169 Ca 0.20 -1.06 -0.00 0.00 -0.41 0.00 0.00 54.97 53.69 1g4b s GLU 169 Cb -0.11 -0.44 -0.04 0.00 -1.78 0.00 0.00 34.13 31.76 1g4b s GLU 169 CO 0.12 0.07 0.09 -2.00 -0.49 0.00 0.00 175.26 173.05 1g4b s GLU 170 N -2.54 1.16 -0.14 1.61 2.12 -1.26 -2.74 118.70 116.91 1g4b s GLU 170 Ca 0.02 -1.60 -0.05 0.00 0.36 0.00 0.00 54.97 53.69 1g4b s GLU 170 Cb -0.04 0.11 0.07 0.00 0.26 0.00 0.00 34.13 34.53 1g4b s GLU 170 CO -0.00 -0.32 0.30 -1.17 -0.54 0.00 0.00 175.26 173.53 1g4b s LEU 171 N -3.16 -0.30 -0.04 2.70 2.96 -0.83 -4.97 118.68 115.03 1g4b s LEU 171 Ca 0.34 0.69 0.02 0.00 -0.22 0.00 0.00 54.13 54.95 1g4b s LEU 171 Cb 0.07 0.87 -0.03 0.00 0.50 0.00 0.00 46.19 47.60 1g4b s LEU 171 CO 0.09 -0.23 -0.07 -0.44 -1.32 0.00 0.00 176.35 174.38 1g4b s SER 172 N 2.31 4.61 0.00 3.68 0.01 -1.26 -2.40 113.70 120.66 1g4b s SER 172 Ca -0.01 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.18 1g4b s SER 172 Cb -0.12 -1.12 0.00 0.00 0.21 0.00 0.00 66.02 64.99 1g4b s SER 172 CO -0.10 0.33 0.00 0.00 0.41 0.00 0.00 173.24 173.89