#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g4a s THR 2 N 0.00 -0.45 -0.15 1.09 2.01 -1.26 -0.65 115.64 116.24 1g4a s THR 2 Ca 0.00 -0.12 -0.15 0.00 0.31 0.00 0.00 61.69 61.73 1g4a s THR 2 Cb 0.00 -0.75 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 1g4a s THR 2 CO 0.00 -0.19 0.33 -0.63 -0.69 0.00 0.00 174.62 173.44 1g4a s ILE 3 N 2.42 5.28 0.12 1.82 -1.09 -0.88 -3.46 121.20 125.42 1g4a s ILE 3 Ca 0.09 0.63 0.06 0.00 -2.23 0.00 0.00 60.65 59.21 1g4a s ILE 3 Cb -0.15 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 1g4a s ILE 3 CO -0.15 0.38 -0.16 0.68 -1.23 0.00 0.00 174.94 174.46 1g4a s VAL 4 N 0.49 1.43 -0.30 2.92 -7.23 0.11 -3.46 120.40 114.35 1g4a s VAL 4 Ca 0.18 -1.66 -0.05 0.00 -1.81 0.00 0.00 61.98 58.64 1g4a s VAL 4 Cb -0.13 -1.51 0.16 0.00 0.56 0.00 0.00 36.38 35.45 1g4a s VAL 4 CO 0.05 -0.32 0.61 -0.55 -0.31 0.00 0.00 175.10 174.58 1g4a s SER 5 N -2.30 -1.20 0.02 4.85 0.15 -1.18 0.88 113.70 114.90 1g4a s SER 5 Ca 0.08 1.20 0.06 0.00 0.70 0.00 0.00 55.95 57.99 1g4a s SER 5 Cb -0.06 2.19 -0.03 0.00 -1.71 0.00 0.00 66.02 66.40 1g4a s SER 5 CO 0.04 -0.24 -0.18 -0.69 1.20 0.00 0.00 173.24 173.37 1g4a s VAL 6 N 2.86 2.79 -0.15 4.45 1.01 -0.80 -2.47 120.40 128.09 1g4a s VAL 6 Ca 0.07 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 1g4a s VAL 6 Cb -0.13 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 1g4a s VAL 6 CO -0.20 0.41 -0.09 -0.60 0.00 0.00 0.00 175.10 174.63 1g4a s ARG 7 N -1.21 3.47 -0.14 2.72 3.52 -1.26 -1.42 118.95 124.62 1g4a s ARG 7 Ca 0.14 -0.63 -0.06 0.00 -0.13 0.00 0.00 55.73 55.05 1g4a s ARG 7 Cb -0.10 -2.78 0.06 0.00 -1.56 0.00 0.00 34.95 30.57 1g4a s ARG 7 CO 0.04 0.15 0.30 0.50 -0.81 0.00 0.00 175.30 175.47 1g4a s ARG 8 N 0.56 0.21 7.43 5.12 3.00 0.37 -4.84 118.95 130.81 1g4a s ARG 8 Ca -0.06 0.75 0.00 0.00 -1.00 0.00 0.00 55.73 55.43 1g4a s ARG 8 Cb -0.15 0.01 0.00 0.00 0.00 0.00 0.00 34.95 34.81 1g4a s ARG 8 CO 0.03 -0.24 0.00 0.09 0.00 0.00 0.00 175.30 175.18 1g4a n ASN 9 N 5.01 0.00 0.04 -2.12 4.13 -1.26 -2.61 115.26 118.45 1g4a n ASN 9 Ca -0.12 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.25 1g4a n ASN 9 Cb 0.51 0.00 0.46 0.00 -1.54 0.00 0.00 39.78 39.21 1g4a n ASN 9 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1g4a n GLY 10 N 0.00 -1.32 3.40 7.41 0.00 -1.26 -4.91 105.19 108.50 1g4a n GLY 10 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 1g4a n GLY 10 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g4a s HIS 11 N -3.07 1.70 -0.07 1.61 3.76 -1.07 -2.36 115.29 115.79 1g4a s HIS 11 Ca 0.09 -1.27 -0.03 0.00 -0.15 0.00 0.00 55.06 53.70 1g4a s HIS 11 Cb 0.13 -1.00 0.04 0.00 1.11 0.00 0.00 32.58 32.86 1g4a s HIS 11 CO 0.42 -0.37 0.15 0.54 -0.85 0.00 0.00 174.74 174.63 1g4a s VAL 12 N -3.47 -0.05 0.23 -0.90 0.11 -1.26 -0.48 120.40 114.59 1g4a s VAL 12 Ca 0.33 0.17 0.07 0.00 -2.93 0.00 0.00 61.98 59.62 1g4a s VAL 12 Cb 0.05 -0.25 -0.05 0.00 -1.53 0.00 0.00 36.38 34.60 1g4a s VAL 12 CO 0.16 0.07 -0.11 0.54 -3.33 0.00 0.00 175.10 172.43 1g4a s VAL 13 N 1.13 1.71 -0.10 2.04 0.11 -0.51 -4.42 120.40 120.36 1g4a s VAL 13 Ca -0.09 -2.19 0.01 0.00 -2.93 0.00 0.00 61.98 56.78 1g4a s VAL 13 Cb -0.11 -2.19 0.02 0.00 -1.53 0.00 0.00 36.38 32.57 1g4a s VAL 13 CO -0.06 -0.48 -0.10 -0.63 -3.33 0.00 0.00 175.10 170.50 1g4a s ILE 14 N -2.98 1.09 0.25 7.04 1.01 -1.21 -1.91 121.20 124.48 1g4a s ILE 14 Ca 0.25 -0.37 0.09 0.00 0.00 0.00 0.00 60.65 60.62 1g4a s ILE 14 Cb 0.01 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 1g4a s ILE 14 CO 0.09 0.37 0.04 0.00 0.00 0.00 0.00 174.94 175.43 1g4a s ALA 15 N 1.34 3.26 0.23 9.38 0.00 0.25 -3.32 121.76 132.90 1g4a s ALA 15 Ca -0.02 -1.55 -0.19 0.00 0.00 0.00 0.00 51.96 50.20 1g4a s ALA 15 Cb -0.14 -0.92 0.03 0.00 0.00 0.00 0.00 23.12 22.09 1g4a s ALA 15 CO -0.04 0.30 0.62 0.20 0.00 0.00 0.00 175.76 176.84 1g4a s GLY 16 N -3.57 -0.11 0.36 0.00 0.00 -1.08 0.06 107.32 102.99 1g4a s GLY 16 Ca 0.31 -0.22 0.07 0.00 0.00 0.00 0.00 44.72 44.88 1g4a s GLY 16 CO 0.21 -0.16 0.40 0.51 0.00 0.00 0.00 173.10 174.06 1g4a s ASP 17 N -2.89 5.49 0.00 1.64 -4.77 -1.22 -3.22 116.67 111.70 1g4a s ASP 17 Ca 0.10 -0.45 0.13 0.00 -3.30 0.00 0.00 52.55 49.03 1g4a s ASP 17 Cb -0.03 -0.92 0.27 0.00 -1.09 0.00 0.00 42.92 41.16 1g4a s ASP 17 CO 0.01 -0.50 1.17 0.61 0.70 0.00 0.00 175.17 177.17 1g4a n GLY 18 N -1.56 1.76 3.64 2.12 0.00 -0.65 -3.99 105.19 106.51 1g4a n GLY 18 Ca 0.01 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 1g4a n GLY 18 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g4a s GLN 19 N -1.03 4.07 -0.37 1.61 0.74 -1.21 0.11 119.66 123.57 1g4a s GLN 19 Ca 0.23 1.07 -0.09 0.00 0.05 0.00 0.00 55.36 56.62 1g4a s GLN 19 Cb 0.13 -3.74 0.04 0.00 1.10 0.00 0.00 33.01 30.55 1g4a s GLN 19 CO 0.18 -0.90 0.19 0.00 -0.55 0.00 0.00 175.29 174.21 1g4a s ALA 20 N 3.65 3.20 -0.35 1.58 0.00 -1.15 -4.57 121.76 124.12 1g4a s ALA 20 Ca 0.45 -1.83 -0.06 0.00 0.00 0.00 0.00 51.96 50.52 1g4a s ALA 20 Cb -0.12 -2.50 0.05 0.00 0.00 0.00 0.00 23.12 20.55 1g4a s ALA 20 CO 0.15 -1.44 0.12 -0.08 0.00 0.00 0.00 175.76 174.52 1g4a s THR 21 N 1.47 3.70 -0.26 0.00 -1.32 -1.26 -1.99 115.64 115.97 1g4a s THR 21 Ca 0.01 -1.30 -0.18 0.00 -1.21 0.00 0.00 61.69 59.02 1g4a s THR 21 Cb -0.20 -3.17 -0.03 0.00 -1.51 0.00 0.00 72.50 67.59 1g4a s THR 21 CO 0.04 -0.27 0.50 -0.22 -2.21 0.00 0.00 174.62 172.47 1g4a s LEU 22 N 1.36 4.06 0.00 9.08 2.96 -1.09 -4.90 118.68 130.15 1g4a s LEU 22 Ca -0.00 0.51 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 1g4a s LEU 22 Cb -0.20 -2.64 0.00 0.00 0.50 0.00 0.00 46.19 43.84 1g4a s LEU 22 CO 0.01 -0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 1g4a n GLY 23 N 4.38 3.06 1.62 7.98 0.00 -1.26 -2.54 105.19 118.44 1g4a n GLY 23 Ca -0.04 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 1g4a n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g4a n ASN 24 N 4.83 3.77 -3.91 1.61 5.03 -1.26 -4.98 115.26 120.35 1g4a n ASN 24 Ca 0.00 -3.77 -0.10 0.00 0.87 0.00 0.00 54.58 51.59 1g4a n ASN 24 Cb 0.00 -0.67 -0.09 0.00 -1.02 0.00 0.00 39.78 37.99 1g4a n ASN 24 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1g4a s THR 25 N -3.70 0.12 -0.43 3.41 -4.23 -1.05 -5.13 115.64 104.62 1g4a s THR 25 Ca 0.50 -0.98 -0.12 0.00 -1.18 0.00 0.00 61.69 59.91 1g4a s THR 25 Cb 0.43 -0.75 0.07 0.00 1.34 0.00 0.00 72.50 73.59 1g4a s THR 25 CO 0.02 -0.54 0.31 0.68 -0.54 0.00 0.00 174.62 174.55 1g4a s VAL 26 N -2.25 4.74 0.00 2.29 -7.23 -1.26 -2.67 120.40 114.02 1g4a s VAL 26 Ca -0.08 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 1g4a s VAL 26 Cb -0.03 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 33.09 1g4a s VAL 26 CO -0.03 -0.49 0.00 1.15 -0.31 0.00 0.00 175.10 175.43 1g4a n MET 27 N 5.06 3.08 -1.38 4.82 0.00 -0.84 -4.50 117.12 123.35 1g4a n MET 27 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 57.70 57.44 1g4a n MET 27 Cb 0.44 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.51 1g4a n MET 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1g4a n LYS 28 N 0.00 0.07 -0.03 3.17 4.81 -1.26 -4.66 118.16 120.25 1g4a n LYS 28 Ca 0.00 -0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 1g4a n LYS 28 Cb 0.00 -1.45 0.01 0.00 0.02 0.00 0.00 35.03 33.61 1g4a n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1g4a n GLY 29 N 5.42 1.59 2.20 3.14 0.00 -1.25 -2.93 105.19 113.35 1g4a n GLY 29 Ca 0.47 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.43 1g4a n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1g4a n ASN 30 N 0.05 2.03 -4.70 1.61 0.23 0.11 -3.34 115.26 111.24 1g4a n ASN 30 Ca 0.01 -2.47 -0.42 0.00 -0.53 0.00 0.00 54.58 51.17 1g4a n ASN 30 Cb 0.30 -0.42 -0.03 0.00 -2.08 0.00 0.00 39.78 37.55 1g4a n ASN 30 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1g4a s VAL 31 N -3.00 3.49 -1.17 3.53 1.01 0.31 -4.83 120.40 119.74 1g4a s VAL 31 Ca 0.34 1.02 -0.21 0.00 0.00 0.00 0.00 61.98 63.12 1g4a s VAL 31 Cb 0.36 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.03 1g4a s VAL 31 CO -0.06 0.05 1.90 1.17 0.00 0.00 0.00 175.10 178.16 1g4a n LYS 32 N 4.50 2.02 0.00 2.72 4.81 -1.26 -3.67 118.16 127.27 1g4a n LYS 32 Ca 0.12 -2.59 0.10 0.00 -0.87 0.00 0.00 58.31 55.07 1g4a n LYS 32 Cb 0.43 -3.56 0.56 0.00 0.02 0.00 0.00 35.03 32.48 1g4a n LYS 32 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1g4a n LYS 33 N 8.06 0.41 -4.54 1.64 4.76 -1.26 -4.64 118.16 122.59 1g4a n LYS 33 Ca 0.47 0.06 -0.28 0.00 -2.87 0.00 0.00 58.31 55.69 1g4a n LYS 33 Cb 0.45 -1.50 -0.17 0.00 -1.84 0.00 0.00 35.03 31.98 1g4a n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1g4a s VAL 34 N -2.40 1.50 0.17 -0.18 1.01 -1.26 -1.93 120.40 117.30 1g4a s VAL 34 Ca 0.24 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1g4a s VAL 34 Cb 0.14 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 1g4a s VAL 34 CO 0.30 0.44 0.02 -0.60 0.00 0.00 0.00 175.10 175.26 1g4a s ARG 35 N 0.88 1.10 0.00 2.72 3.00 -1.02 -4.82 118.95 120.82 1g4a s ARG 35 Ca -0.09 -1.54 0.00 0.00 -1.00 0.00 0.00 55.73 53.11 1g4a s ARG 35 Cb -0.15 -0.18 0.00 0.00 0.00 0.00 0.00 34.95 34.61 1g4a s ARG 35 CO 0.00 -0.16 0.00 -2.13 0.00 0.00 0.00 175.30 173.01 1g4a n ARG 36 N -0.23 0.61 0.00 5.12 0.63 -1.26 -2.01 116.66 119.52 1g4a n ARG 36 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 1g4a n ARG 36 Cb 0.63 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.54 1g4a n ARG 36 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1g4a n LEU 37 N 0.00 0.00 0.00 6.15 4.77 -1.26 -4.60 117.00 122.06 1g4a n LEU 37 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1g4a n LEU 37 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1g4a n LEU 37 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 1g4a n TYR 38 N -0.05 0.00 -0.33 -1.77 -0.00 -1.26 -4.40 117.16 109.35 1g4a n TYR 38 Ca 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 57.90 58.12 1g4a n TYR 38 Cb 0.00 -0.34 0.48 0.00 -0.00 0.00 0.00 39.34 39.48 1g4a n TYR 38 CO 0.00 0.00 0.00 -2.95 -0.00 0.00 0.00 176.86 173.91 1g4a h ASN 39 N 0.00 0.50 0.00 2.98 -0.00 -1.97 -3.39 115.58 113.70 1g4a h ASN 39 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 56.30 56.40 1g4a h ASN 39 Cb 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.34 1g4a h ASN 39 CO 0.00 0.08 0.00 -0.67 -0.00 0.00 0.00 177.43 176.84 1g4a n ASP 40 N -4.69 0.00 0.00 6.14 2.03 -1.26 -5.16 116.55 113.60 1g4a n ASP 40 Ca 0.26 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1g4a n ASP 40 Cb 0.86 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.26 1g4a n ASP 40 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1g4a n LYS 41 N 0.00 0.00 -0.51 -0.67 4.01 -1.26 -5.00 118.16 114.73 1g4a n LYS 41 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1g4a n LYS 41 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1g4a n LYS 41 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1g4a n VAL 42 N -0.17 -0.34 -2.59 -0.18 0.31 -1.20 -4.31 118.33 109.84 1g4a n VAL 42 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1g4a n VAL 42 Cb 0.00 -1.15 -0.03 0.00 -0.91 0.00 0.00 33.84 31.76 1g4a n VAL 42 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1g4a s ILE 43 N -2.34 4.54 -0.02 2.52 1.01 0.34 -4.30 121.20 122.96 1g4a s ILE 43 Ca 0.00 1.83 0.02 0.00 0.00 0.00 0.00 60.65 62.50 1g4a s ILE 43 Cb 0.00 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.30 1g4a s ILE 43 CO 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 174.94 174.92 1g4a s ALA 44 N 1.69 0.74 0.37 9.38 0.00 -0.85 0.13 121.76 133.22 1g4a s ALA 44 Ca 0.53 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.21 1g4a s ALA 44 Cb -0.22 -0.25 0.05 0.00 0.00 0.00 0.00 23.12 22.70 1g4a s ALA 44 CO 0.23 0.14 0.40 0.41 0.00 0.00 0.00 175.76 176.94 1g4a n GLY 45 N 3.16 1.49 3.44 0.00 0.00 0.11 -2.42 105.19 110.97 1g4a n GLY 45 Ca -0.16 -2.11 -0.13 0.00 0.00 0.00 0.00 46.02 43.61 1g4a n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1g4a s PHE 46 N -0.88 -0.59 -0.32 1.61 -0.12 -0.81 -2.25 117.98 114.62 1g4a s PHE 46 Ca 0.29 1.44 -0.01 0.00 -0.05 0.00 0.00 56.93 58.60 1g4a s PHE 46 Cb -0.02 0.20 0.11 0.00 -0.63 0.00 0.00 43.02 42.68 1g4a s PHE 46 CO 0.19 -0.28 0.12 0.00 -0.05 0.00 0.00 175.22 175.19 1g4a s ALA 47 N 0.29 1.42 0.00 1.99 0.00 -1.25 -4.84 121.76 119.37 1g4a s ALA 47 Ca -0.00 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.28 1g4a s ALA 47 Cb -0.04 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.47 1g4a s ALA 47 CO 0.01 -1.72 0.00 0.41 0.00 0.00 0.00 175.76 174.45 1g4a n GLY 48 N 4.75 0.77 2.92 0.00 0.00 -1.26 -3.59 105.19 108.78 1g4a n GLY 48 Ca -0.01 -1.80 -0.44 0.00 0.00 0.00 0.00 46.02 43.77 1g4a n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g4a n GLY 49 N 0.00 -1.10 0.06 -0.02 0.00 -1.23 -4.83 105.19 98.07 1g4a n GLY 49 Ca 0.00 0.40 0.11 0.00 0.00 0.00 0.00 46.02 46.53 1g4a n GLY 49 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1g4a n THR 50 N 0.40 0.29 -0.00 2.61 5.66 -1.26 -4.20 114.28 117.78 1g4a n THR 50 Ca 0.16 -0.49 -0.01 0.00 -3.05 0.00 0.00 64.05 60.66 1g4a n THR 50 Cb 0.17 -0.12 -0.00 0.00 -1.55 0.00 0.00 70.33 68.82 1g4a n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1g4a h ALA 51 N 2.06 -0.10 0.00 1.79 0.00 -1.99 -3.35 119.26 117.67 1g4a h ALA 51 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1g4a h ALA 51 Cb 0.97 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1g4a h ALA 51 CO 0.00 -0.10 1.06 -0.25 0.00 0.00 0.00 179.25 179.96 1g4a n ASP 52 N -3.63 1.78 0.00 0.00 9.92 -1.26 -4.43 116.55 118.94 1g4a n ASP 52 Ca -0.01 -1.96 0.00 0.00 -0.53 0.00 0.00 54.79 52.29 1g4a n ASP 52 Cb 0.03 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 39.93 1g4a n ASP 52 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1g4a n ALA 53 N 3.84 0.00 0.00 2.24 0.00 -1.26 -4.64 120.51 120.70 1g4a n ALA 53 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1g4a n ALA 53 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1g4a n ALA 53 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1g4a n PHE 54 N 0.00 0.00 0.00 0.00 7.35 -1.26 -3.60 117.46 119.95 1g4a n PHE 54 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1g4a n PHE 54 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1g4a n PHE 54 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1g4a n THR 55 N 0.00 0.00 -1.44 -2.13 -2.24 -1.26 0.68 114.28 107.88 1g4a n THR 55 Ca 0.00 1.48 -0.39 0.00 -2.27 0.00 0.00 64.05 62.87 1g4a n THR 55 Cb 0.00 -2.22 -0.06 0.00 -2.10 0.00 0.00 70.33 65.96 1g4a n THR 55 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1g4a n LEU 56 N -2.47 3.80 0.01 3.22 0.00 -1.24 -1.97 117.00 118.35 1g4a n LEU 56 Ca 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 56.01 53.02 1g4a n LEU 56 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 43.42 42.12 1g4a n LEU 56 CO 0.00 -0.79 0.00 0.33 0.00 0.00 0.00 177.39 176.93 1g4a n PHE 57 N 9.51 -1.27 0.36 1.96 7.35 -0.42 -4.86 117.46 130.09 1g4a n PHE 57 Ca 0.48 0.06 0.14 0.00 -0.76 0.00 0.00 57.45 57.37 1g4a n PHE 57 Cb 0.42 0.36 0.53 0.00 0.35 0.00 0.00 39.48 41.15 1g4a n PHE 57 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1g4a h GLU 58 N 0.00 0.00 -0.26 -4.13 4.39 0.42 0.29 114.58 115.29 1g4a h GLU 58 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1g4a h GLU 58 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1g4a h GLU 58 CO 0.00 0.00 0.14 1.25 -1.16 0.00 0.00 179.01 179.24 1g4a h LEU 59 N 0.00 0.31 0.58 1.33 6.46 -1.55 -2.56 115.31 119.87 1g4a h LEU 59 Ca 0.00 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1g4a h LEU 59 Cb 0.51 -0.08 0.01 0.00 -0.73 0.00 0.00 40.66 40.37 1g4a h LEU 59 CO 0.00 0.25 -0.28 -0.26 -0.62 0.00 0.00 178.44 177.54 1g4a h PHE 60 N 0.35 -0.72 0.00 1.25 -1.00 -1.19 -3.22 116.94 112.42 1g4a h PHE 60 Ca 0.09 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.86 1g4a h PHE 60 Cb 0.02 0.24 0.00 0.00 3.61 0.00 0.00 35.95 39.82 1g4a h PHE 60 CO 0.00 -0.45 0.00 -1.91 -1.61 0.00 0.00 178.31 174.34 1g4a n GLU 61 N -4.82 0.00 -0.06 1.51 0.00 -0.97 -1.04 120.64 115.26 1g4a n GLU 61 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 56.99 1g4a n GLU 61 Cb 0.31 -1.04 -0.05 0.00 0.00 0.00 0.00 31.44 30.66 1g4a n GLU 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1g4a n ARG 62 N -0.36 0.40 0.16 5.31 5.12 -1.21 -4.41 116.66 121.66 1g4a n ARG 62 Ca 0.00 0.06 0.03 0.00 -1.93 0.00 0.00 57.85 56.01 1g4a n ARG 62 Cb 0.00 -1.23 0.20 0.00 -1.16 0.00 0.00 32.46 30.26 1g4a n ARG 62 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1g4a h LYS 63 N 0.00 0.00 -0.33 5.56 1.57 -1.17 -1.38 116.57 120.81 1g4a h LYS 63 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1g4a h LYS 63 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.72 1g4a h LYS 63 CO -0.04 0.50 0.00 1.28 -0.57 0.00 0.00 179.45 180.62 1g4a n LEU 64 N -3.46 0.33 -0.01 2.94 4.32 -0.63 -0.44 117.00 120.04 1g4a n LEU 64 Ca 0.00 -0.16 -0.05 0.00 -0.02 0.00 0.00 56.01 55.78 1g4a n LEU 64 Cb 0.62 -0.16 -0.02 0.00 -1.62 0.00 0.00 43.42 42.24 1g4a n LEU 64 CO 0.39 0.08 -0.40 -0.62 -1.22 0.00 0.00 177.39 175.63 1g4a n GLU 65 N -0.15 0.16 0.00 3.23 -0.58 -0.54 -3.89 120.64 118.88 1g4a n GLU 65 Ca 0.00 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1g4a n GLU 65 Cb 0.08 -0.78 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 1g4a n GLU 65 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1g4a n MET 66 N -3.64 0.00 0.00 3.49 2.81 -0.94 -2.54 117.12 116.30 1g4a n MET 66 Ca -0.08 0.39 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 1g4a n MET 66 Cb 0.31 -1.19 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 1g4a n MET 66 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1g4a n HIS 67 N -1.68 0.00 -0.12 2.03 8.25 0.41 -4.88 115.22 119.23 1g4a n HIS 67 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1g4a n HIS 67 Cb 0.00 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 30.86 1g4a n HIS 67 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1g4a n GLN 68 N -1.22 -0.02 0.00 -0.41 10.64 -1.05 -2.60 117.38 122.71 1g4a n GLN 68 Ca 0.00 0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 1g4a n GLN 68 Cb 0.03 -0.03 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1g4a n GLN 68 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1g4a n GLY 69 N 1.35 1.82 3.49 2.61 0.00 -1.25 -4.90 105.19 108.31 1g4a n GLY 69 Ca 0.00 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1g4a n GLY 69 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1g4a n HIS 70 N 0.00 0.16 -0.23 1.61 -0.00 -1.07 -4.62 115.22 111.07 1g4a n HIS 70 Ca 0.00 -0.55 0.01 0.00 0.46 0.00 0.00 57.72 57.64 1g4a n HIS 70 Cb 0.00 -0.93 0.08 0.00 -0.12 0.00 0.00 29.99 29.02 1g4a n HIS 70 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1g4a h LEU 71 N 18.10 -0.60 -0.01 0.27 7.12 -1.90 0.18 115.31 138.47 1g4a h LEU 71 Ca 0.25 0.20 0.00 0.00 0.13 0.00 0.00 57.88 58.47 1g4a h LEU 71 Cb 0.72 0.41 -0.01 0.00 -0.53 0.00 0.00 40.66 41.25 1g4a h LEU 71 CO 1.97 -0.22 -0.08 0.58 -0.13 0.00 0.00 178.44 180.56 1g4a h VAL 72 N 0.01 0.00 0.00 1.05 2.07 -1.97 0.13 116.25 117.54 1g4a h VAL 72 Ca 0.33 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.85 1g4a h VAL 72 Cb 0.51 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1g4a h VAL 72 CO -0.69 0.00 0.00 1.17 0.02 0.00 0.00 177.57 178.07 1g4a n LYS 73 N -3.00 0.70 0.05 1.57 0.00 -0.13 -2.25 118.16 115.10 1g4a n LYS 73 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.30 1g4a n LYS 73 Cb 0.06 -1.15 0.00 0.00 0.00 0.00 0.00 35.03 33.94 1g4a n LYS 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1g4a n ALA 74 N 1.22 3.00 0.25 3.14 0.00 0.46 -4.70 120.51 123.88 1g4a n ALA 74 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 1g4a n ALA 74 Cb 0.35 0.27 0.81 0.00 0.00 0.00 0.00 19.45 20.88 1g4a n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g4a h ALA 75 N 0.00 1.61 -3.00 0.00 0.00 -0.78 0.21 119.26 117.30 1g4a h ALA 75 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1g4a h ALA 75 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1g4a h ALA 75 CO 0.00 -0.42 0.00 0.28 0.00 0.00 0.00 179.25 179.11 1g4a n VAL 76 N -3.23 0.00 1.06 0.00 0.31 -1.22 -1.30 118.33 113.95 1g4a n VAL 76 Ca 0.01 0.89 0.11 0.00 -0.01 0.00 0.00 64.34 65.34 1g4a n VAL 76 Cb 0.44 -1.81 0.57 0.00 -0.91 0.00 0.00 33.84 32.13 1g4a n VAL 76 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1g4a n GLU 77 N -0.45 0.31 0.00 5.55 0.00 -1.16 -2.86 120.64 122.03 1g4a n GLU 77 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 57.16 57.23 1g4a n GLU 77 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 29.94 1g4a n GLU 77 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1g4a n LEU 78 N -1.29 0.15 -0.17 -1.84 4.77 0.74 -4.50 117.00 114.87 1g4a n LEU 78 Ca 0.11 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.26 1g4a n LEU 78 Cb 0.18 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.59 1g4a n LEU 78 CO 0.17 0.00 0.56 0.00 -1.33 0.00 0.00 177.39 176.80 1g4a n ALA 79 N -2.77 0.55 -0.38 -1.18 0.00 -0.42 0.44 120.51 116.75 1g4a n ALA 79 Ca 0.00 0.54 -0.01 0.00 0.00 0.00 0.00 53.44 53.97 1g4a n ALA 79 Cb 0.00 -0.54 0.05 0.00 0.00 0.00 0.00 19.45 18.96 1g4a n ALA 79 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1g4a n LYS 80 N -4.19 -0.22 -1.39 0.00 4.81 -1.14 -3.41 118.16 112.62 1g4a n LYS 80 Ca 0.20 1.54 -0.15 0.00 -0.87 0.00 0.00 58.31 59.03 1g4a n LYS 80 Cb 0.68 -2.28 -0.10 0.00 0.02 0.00 0.00 35.03 33.35 1g4a n LYS 80 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1g4a n ASP 81 N -5.48 0.77 0.00 3.14 8.00 0.17 -2.32 116.55 120.82 1g4a n ASP 81 Ca 0.11 -2.30 0.00 0.00 0.71 0.00 0.00 54.79 53.31 1g4a n ASP 81 Cb 0.41 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 1g4a n ASP 81 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1g4a n TRP 82 N 16.57 0.00 0.00 1.24 -0.00 -1.22 -4.82 117.44 129.21 1g4a n TRP 82 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.85 1g4a n TRP 82 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.78 1g4a n TRP 82 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 177.69 175.56 1g4a n ARG 83 N 0.00 0.00 -0.05 5.87 3.00 -0.98 -4.47 116.66 120.03 1g4a n ARG 83 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.86 1g4a n ARG 83 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 32.46 32.50 1g4a n ARG 83 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1g4a n THR 84 N -1.10 0.14 0.00 5.15 5.66 -1.26 -4.82 114.28 118.05 1g4a n THR 84 Ca 0.00 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1g4a n THR 84 Cb 0.00 -0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1g4a n THR 84 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1g4a n ASP 85 N -0.20 0.00 0.00 1.09 9.92 -1.26 -5.10 116.55 120.99 1g4a n ASP 85 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 1g4a n ASP 85 Cb 0.11 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 1g4a n ASP 85 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1g4a n ARG 86 N 0.00 0.00 0.00 -1.24 1.85 -1.26 -4.97 116.66 111.04 1g4a n ARG 86 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1g4a n ARG 86 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1g4a n ARG 86 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1g4a n MET 87 N 0.00 0.00 -3.94 2.89 0.00 -1.26 -4.00 117.12 110.81 1g4a n MET 87 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.35 1g4a n MET 87 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.11 1g4a n MET 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1g4a s LEU 88 N 0.00 3.70 -0.10 3.17 1.43 -1.26 -5.07 118.68 120.54 1g4a s LEU 88 Ca 0.00 -0.01 -0.09 0.00 -1.03 0.00 0.00 54.13 53.00 1g4a s LEU 88 Cb 0.00 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.29 1g4a s LEU 88 CO 0.00 0.10 0.27 -0.13 0.23 0.00 0.00 176.35 176.82 1g4a s ARG 89 N 0.79 0.31 -0.37 1.70 0.52 -1.26 -4.39 118.95 116.25 1g4a s ARG 89 Ca 0.04 0.38 -0.03 0.00 -0.52 0.00 0.00 55.73 55.60 1g4a s ARG 89 Cb -0.13 0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.48 1g4a s ARG 89 CO 0.02 -0.04 0.38 1.63 0.02 0.00 0.00 175.30 177.31 1g4a n LYS 90 N 2.98 -0.93 0.00 3.54 5.02 -1.26 -5.08 118.16 122.44 1g4a n LYS 90 Ca -0.13 1.17 0.00 0.00 -2.02 0.00 0.00 58.31 57.33 1g4a n LYS 90 Cb 0.58 -3.92 0.00 0.00 -0.02 0.00 0.00 35.03 31.67 1g4a n LYS 90 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1g4a n LEU 91 N -1.13 0.00 0.00 -0.35 7.99 -1.26 -5.16 117.00 117.08 1g4a n LEU 91 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 1g4a n LEU 91 Cb 0.43 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.74 1g4a n LEU 91 CO 0.29 0.00 0.00 1.21 -1.51 0.00 0.00 177.39 177.38 1g4a n GLU 92 N 0.00 0.00 -3.63 3.23 0.00 -1.26 -5.12 120.64 113.85 1g4a n GLU 92 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.02 1g4a n GLU 92 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.37 1g4a n GLU 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1g4a s ALA 93 N 0.00 -1.66 -0.53 4.31 0.00 -1.26 -3.50 121.76 119.13 1g4a s ALA 93 Ca 0.00 1.81 0.07 0.00 0.00 0.00 0.00 51.96 53.84 1g4a s ALA 93 Cb 0.00 -0.97 0.29 0.00 0.00 0.00 0.00 23.12 22.45 1g4a s ALA 93 CO 0.00 -0.32 0.76 1.28 0.00 0.00 0.00 175.76 177.48 1g4a n LEU 94 N 2.50 2.77 -4.60 0.00 4.77 -1.24 -3.75 117.00 117.46 1g4a n LEU 94 Ca -0.15 -5.30 -0.43 0.00 -0.03 0.00 0.00 56.01 50.11 1g4a n LEU 94 Cb 0.56 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1g4a n LEU 94 CO 0.07 2.19 1.85 -0.22 -1.33 0.00 0.00 177.39 179.95 1g4a s LEU 95 N -2.51 3.46 -0.70 2.23 2.96 -1.26 -3.97 118.68 118.88 1g4a s LEU 95 Ca 0.42 1.91 -0.16 0.00 -0.22 0.00 0.00 54.13 56.07 1g4a s LEU 95 Cb 0.23 -3.51 0.16 0.00 0.50 0.00 0.00 46.19 43.56 1g4a s LEU 95 CO -0.08 -1.95 0.72 0.00 -1.32 0.00 0.00 176.35 173.72 1g4a s ALA 96 N 8.25 3.73 0.14 5.97 0.00 -0.95 -4.07 121.76 134.82 1g4a s ALA 96 Ca 1.00 -2.79 -0.12 0.00 0.00 0.00 0.00 51.96 50.06 1g4a s ALA 96 Cb -0.33 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.21 1g4a s ALA 96 CO 0.35 -2.30 0.49 0.08 0.00 0.00 0.00 175.76 174.38 1g4a s VAL 97 N 1.44 4.96 -0.06 0.00 1.01 -1.24 0.10 120.40 126.61 1g4a s VAL 97 Ca 0.14 0.62 -0.01 0.00 0.00 0.00 0.00 61.98 62.74 1g4a s VAL 97 Cb -0.18 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.54 1g4a s VAL 97 CO -0.02 0.20 -0.01 0.00 0.00 0.00 0.00 175.10 175.28 1g4a s ALA 98 N -1.50 0.61 0.00 5.51 0.00 0.34 -2.47 121.76 124.25 1g4a s ALA 98 Ca 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1g4a s ALA 98 Cb -0.14 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1g4a s ALA 98 CO 0.19 -0.30 0.00 -3.47 0.00 0.00 0.00 175.76 172.18 1g4a n ASP 99 N 4.76 0.00 0.00 0.00 4.64 -1.19 -0.50 116.55 124.25 1g4a n ASP 99 Ca -0.14 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.27 1g4a n ASP 99 Cb 0.50 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.58 1g4a n ASP 99 CO 0.00 0.00 0.00 -1.84 -0.82 0.00 0.00 177.20 174.54 1g4a n GLU 100 N 0.00 -0.19 -0.02 -0.67 0.28 -1.26 -4.47 120.64 114.30 1g4a n GLU 100 Ca 0.00 -0.25 0.01 0.00 -0.16 0.00 0.00 57.16 56.76 1g4a n GLU 100 Cb 0.00 -0.67 -0.07 0.00 1.43 0.00 0.00 31.44 32.12 1g4a n GLU 100 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1g4a n THR 101 N -0.02 0.28 0.00 3.84 -1.04 -1.26 -5.09 114.28 111.00 1g4a n THR 101 Ca 0.00 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1g4a n THR 101 Cb 0.19 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 1g4a n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g4a n ALA 102 N -2.06 0.00 -2.47 2.41 0.00 -1.26 -5.13 120.51 112.00 1g4a n ALA 102 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1g4a n ALA 102 Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.86 1g4a n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1g4a s SER 103 N 0.00 6.15 0.55 0.00 0.01 -1.26 -3.20 113.70 115.95 1g4a s SER 103 Ca 0.00 -0.79 0.08 0.00 1.31 0.00 0.00 55.95 56.55 1g4a s SER 103 Cb 0.00 -2.19 0.08 0.00 0.21 0.00 0.00 66.02 64.12 1g4a s SER 103 CO 0.00 -0.51 0.68 0.18 0.41 0.00 0.00 173.24 173.99 1g4a n LEU 104 N 5.37 0.00 -4.09 2.44 4.32 -1.03 -4.40 117.00 119.62 1g4a n LEU 104 Ca -0.09 -2.47 -0.12 0.00 -0.02 0.00 0.00 56.01 53.31 1g4a n LEU 104 Cb 0.47 -0.32 -0.06 0.00 -1.62 0.00 0.00 43.42 41.89 1g4a n LEU 104 CO 0.43 -0.67 0.05 -0.63 -1.22 0.00 0.00 177.39 175.36 1g4a s ILE 105 N -2.47 0.00 -0.28 -0.08 1.01 -0.92 -3.63 121.20 114.82 1g4a s ILE 105 Ca 0.51 -1.64 0.02 0.00 0.00 0.00 0.00 60.65 59.54 1g4a s ILE 105 Cb -0.04 -2.44 0.16 0.00 0.01 0.00 0.00 42.46 40.16 1g4a s ILE 105 CO 0.33 0.00 0.45 -0.63 0.00 0.00 0.00 174.94 175.08 1g4a s ILE 106 N -3.70 -0.71 -1.02 2.92 1.09 -1.26 -2.45 121.20 116.07 1g4a s ILE 106 Ca 0.30 -0.20 0.00 0.00 -1.10 0.00 0.00 60.65 59.65 1g4a s ILE 106 Cb 0.01 -0.97 0.00 0.00 -1.06 0.00 0.00 42.46 40.45 1g4a s ILE 106 CO 0.14 -0.20 0.00 0.35 -0.10 0.00 0.00 174.94 175.14 1g4a n THR 107 N 5.37 0.00 -2.91 2.92 -2.24 -1.26 -4.43 114.28 111.73 1g4a n THR 107 Ca 0.01 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1g4a n THR 107 Cb 0.50 -0.09 0.03 0.00 -2.10 0.00 0.00 70.33 68.67 1g4a n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g4a n GLY 108 N 0.27 0.37 2.59 3.38 0.00 -1.25 -4.93 105.19 105.61 1g4a n GLY 108 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 1g4a n GLY 108 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g4a n ASN 109 N -0.23 0.46 -1.16 1.61 5.03 -1.26 -4.91 115.26 114.80 1g4a n ASN 109 Ca 0.00 -2.08 -0.14 0.00 0.87 0.00 0.00 54.58 53.23 1g4a n ASN 109 Cb 0.52 -0.07 -0.06 0.00 -1.02 0.00 0.00 39.78 39.16 1g4a n ASN 109 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1g4a n GLY 110 N -0.77 1.38 3.17 7.41 0.00 -1.26 -4.72 105.19 110.39 1g4a n GLY 110 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1g4a n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1g4a n ASP 111 N -1.10 -0.26 -3.60 1.61 2.03 -1.26 -4.53 116.55 109.44 1g4a n ASP 111 Ca -0.14 -1.34 -0.03 0.00 0.52 0.00 0.00 54.79 53.80 1g4a n ASP 111 Cb 0.60 -0.85 -0.06 0.00 -0.72 0.00 0.00 41.12 40.09 1g4a n ASP 111 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1g4a s VAL 112 N -3.29 -0.28 -0.07 5.18 -7.23 -1.25 -4.48 120.40 108.98 1g4a s VAL 112 Ca 0.62 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.82 1g4a s VAL 112 Cb -0.02 -1.00 0.01 0.00 0.56 0.00 0.00 36.38 35.93 1g4a s VAL 112 CO 0.44 0.00 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.41 1g4a s VAL 113 N 1.92 1.20 -0.43 1.32 1.01 -1.03 -4.93 120.40 119.46 1g4a s VAL 113 Ca -0.08 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 1g4a s VAL 113 Cb -0.06 -1.09 0.11 0.00 0.00 0.00 0.00 36.38 35.34 1g4a s VAL 113 CO -0.18 0.37 0.27 -1.10 0.00 0.00 0.00 175.10 174.46 1g4a s GLN 114 N 0.65 2.32 0.12 2.72 -1.52 -1.26 -2.17 119.66 120.52 1g4a s GLN 114 Ca -0.15 -1.72 -0.35 0.00 -1.95 0.00 0.00 55.36 51.19 1g4a s GLN 114 Cb -0.16 -3.75 -0.16 0.00 -0.22 0.00 0.00 33.01 28.72 1g4a s GLN 114 CO 0.04 -1.09 1.32 -2.30 -0.25 0.00 0.00 175.29 173.01 1g4a n PRO 115 N 4.78 1.28 0.15 2.91 -0.02 -1.26 -4.78 135.00 138.05 1g4a n PRO 115 Ca -0.06 0.46 0.01 0.00 -2.02 0.00 0.00 63.50 61.89 1g4a n PRO 115 Cb 0.41 -2.08 0.05 0.00 -0.02 0.00 0.00 33.50 31.87 1g4a n PRO 115 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1g4a n GLU 116 N 2.39 0.02 -0.38 -0.52 2.13 -1.26 -0.32 120.64 122.71 1g4a n GLU 116 Ca 0.17 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.44 1g4a n GLU 116 Cb 0.22 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 29.70 1g4a n GLU 116 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1g4a n ASN 117 N -1.72 0.00 -1.37 4.31 3.02 -1.26 -4.98 115.26 113.25 1g4a n ASN 117 Ca -0.00 -1.51 -0.14 0.00 -0.03 0.00 0.00 54.58 52.91 1g4a n ASN 117 Cb 0.66 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.70 1g4a n ASN 117 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1g4a n ASP 118 N 0.00 -4.40 -4.41 6.41 10.43 0.57 -4.86 116.55 120.29 1g4a n ASP 118 Ca 0.00 0.12 -0.39 0.00 2.57 0.00 0.00 54.79 57.10 1g4a n ASP 118 Cb 0.60 -3.39 -0.12 0.00 1.84 0.00 0.00 41.12 40.05 1g4a n ASP 118 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1g4a s LEU 119 N -3.63 4.13 -0.14 0.64 2.96 -1.26 -4.38 118.68 116.99 1g4a s LEU 119 Ca 0.00 -0.61 -0.08 0.00 -0.22 0.00 0.00 54.13 53.21 1g4a s LEU 119 Cb 0.00 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1g4a s LEU 119 CO 0.00 -0.22 0.15 -0.63 -1.32 0.00 0.00 176.35 174.33 1g4a s ILE 120 N 1.58 5.46 -0.41 6.68 1.01 -1.03 -4.76 121.20 129.74 1g4a s ILE 120 Ca 0.04 0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.97 1g4a s ILE 120 Cb -0.17 -3.43 0.17 0.00 0.01 0.00 0.00 42.46 39.03 1g4a s ILE 120 CO 0.06 0.56 0.49 0.00 0.00 0.00 0.00 174.94 176.04 1g4a s ALA 121 N -0.59 -1.00 0.09 9.38 0.00 -1.26 -3.13 121.76 125.26 1g4a s ALA 121 Ca 0.13 -0.74 0.10 0.00 0.00 0.00 0.00 51.96 51.45 1g4a s ALA 121 Cb -0.12 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.68 1g4a s ALA 121 CO 0.02 -2.17 -0.26 0.96 0.00 0.00 0.00 175.76 174.32 1g4a s ILE 122 N 1.32 2.25 0.00 0.00 -0.00 -1.23 -4.35 121.20 119.19 1g4a s ILE 122 Ca 0.20 -1.55 0.00 0.00 -0.00 0.00 0.00 60.65 59.30 1g4a s ILE 122 Cb -0.09 -1.94 0.00 0.00 -0.00 0.00 0.00 42.46 40.44 1g4a s ILE 122 CO -0.05 0.23 0.00 0.61 -0.00 0.00 0.00 174.94 175.73 1g4a n GLY 123 N 1.34 3.76 0.07 6.27 0.00 -1.26 -2.06 105.19 113.31 1g4a n GLY 123 Ca -0.17 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1g4a n GLY 123 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1g4a n SER 124 N 0.00 0.05 0.00 1.61 3.41 0.18 0.94 113.62 119.81 1g4a n SER 124 Ca 0.00 -0.63 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 1g4a n SER 124 Cb 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1g4a n SER 124 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g4a n GLY 125 N -0.11 -0.74 0.40 5.00 0.00 -0.98 -4.73 105.19 104.03 1g4a n GLY 125 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1g4a n GLY 125 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1g4a h GLY 126 N 0.00 -0.65 0.00 -0.02 0.00 0.40 -0.19 103.07 102.61 1g4a h GLY 126 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1g4a h GLY 126 CO 0.00 -0.18 0.00 -1.05 0.00 0.00 0.00 176.54 175.31 1g4a n PRO 127 N -5.41 0.00 -0.08 4.80 -0.02 -1.26 -1.34 135.00 131.69 1g4a n PRO 127 Ca -0.02 0.64 -0.02 0.00 -2.02 0.00 0.00 63.50 62.08 1g4a n PRO 127 Cb 0.35 -1.44 -0.02 0.00 -0.02 0.00 0.00 33.50 32.38 1g4a n PRO 127 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1g4a n TYR 128 N -2.20 -0.09 -0.22 6.00 4.01 -1.12 0.32 117.16 123.86 1g4a n TYR 128 Ca 0.00 0.25 -0.12 0.00 -0.16 0.00 0.00 57.90 57.87 1g4a n TYR 128 Cb 0.00 -0.37 -0.09 0.00 -0.31 0.00 0.00 39.34 38.57 1g4a n TYR 128 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1g4a h ALA 129 N -0.23 -0.64 -2.61 -0.72 0.00 -0.82 -2.60 119.26 111.65 1g4a h ALA 129 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1g4a h ALA 129 Cb 0.08 1.19 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1g4a h ALA 129 CO -0.19 -0.94 0.00 0.94 0.00 0.00 0.00 179.25 179.06 1g4a n GLN 130 N -5.08 0.00 -0.12 0.00 -0.06 0.15 -1.06 117.38 111.22 1g4a n GLN 130 Ca -0.01 0.32 -0.02 0.00 -2.00 0.00 0.00 57.00 55.29 1g4a n GLN 130 Cb 0.28 -0.75 -0.01 0.00 -4.06 0.00 0.00 30.24 25.69 1g4a n GLN 130 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1g4a n ALA 131 N -1.38 -0.12 0.14 1.69 0.00 -0.64 0.12 120.51 120.31 1g4a n ALA 131 Ca 0.00 0.28 -0.14 0.00 0.00 0.00 0.00 53.44 53.58 1g4a n ALA 131 Cb 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 19.45 19.29 1g4a n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g4a h ALA 132 N 0.27 -0.27 0.06 0.00 0.00 -1.12 0.43 119.26 118.63 1g4a h ALA 132 Ca 0.07 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1g4a h ALA 132 Cb 0.15 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1g4a h ALA 132 CO -0.29 -0.63 -0.42 0.00 0.00 0.00 0.00 179.25 177.91 1g4a h ALA 133 N 0.48 -0.71 -0.53 0.00 0.00 0.26 -1.17 119.26 117.59 1g4a h ALA 133 Ca -0.03 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.92 1g4a h ALA 133 Cb 0.24 0.72 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 1g4a h ALA 133 CO 0.05 -0.97 0.11 -0.09 0.00 0.00 0.00 179.25 178.34 1g4a h ARG 134 N -0.62 0.24 -0.29 0.00 2.43 -0.21 0.16 114.38 116.09 1g4a h ARG 134 Ca 0.03 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1g4a h ARG 134 Cb 0.67 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1g4a h ARG 134 CO -0.28 0.16 0.20 0.00 -1.51 0.00 0.00 179.97 178.55 1g4a h ALA 135 N 1.42 2.11 0.00 2.80 0.00 0.06 -2.88 119.26 122.77 1g4a h ALA 135 Ca 0.27 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1g4a h ALA 135 Cb 0.38 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1g4a h ALA 135 CO -0.35 -0.18 -0.74 -0.07 0.00 0.00 0.00 179.25 177.91 1g4a h LEU 136 N 0.13 0.00 0.00 0.00 3.38 -0.25 -3.24 115.31 115.33 1g4a h LEU 136 Ca 0.13 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1g4a h LEU 136 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1g4a h LEU 136 CO -0.02 1.23 0.00 -0.11 0.09 0.00 0.00 178.44 179.63 1g4a n LEU 137 N -4.52 0.00 -0.53 1.67 0.00 0.46 -1.29 117.00 112.79 1g4a n LEU 137 Ca -0.22 0.00 -0.00 0.00 0.00 0.00 0.00 56.01 55.79 1g4a n LEU 137 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.97 1g4a n LEU 137 CO 0.22 0.00 0.25 -1.84 0.00 0.00 0.00 177.39 176.02 1g4a n GLU 138 N -0.53 0.00 -0.14 1.96 0.28 -1.17 -4.92 120.64 116.13 1g4a n GLU 138 Ca 0.00 -0.43 0.00 0.00 -0.16 0.00 0.00 57.16 56.57 1g4a n GLU 138 Cb 0.00 -0.17 0.00 0.00 1.43 0.00 0.00 31.44 32.70 1g4a n GLU 138 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1g4a n ASN 139 N 0.01 0.00 -1.33 -1.84 4.13 -0.41 -5.06 115.26 110.75 1g4a n ASN 139 Ca -0.01 -1.11 -0.02 0.00 1.68 0.00 0.00 54.58 55.12 1g4a n ASN 139 Cb 0.59 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.81 1g4a n ASN 139 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1g4a n THR 140 N 0.00 0.00 0.00 3.41 5.66 -1.09 -5.02 114.28 117.25 1g4a n THR 140 Ca 0.00 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1g4a n THR 140 Cb 0.52 0.18 0.00 0.00 -1.55 0.00 0.00 70.33 69.49 1g4a n THR 140 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1g4a n GLU 141 N -0.10 0.00 -1.40 1.09 -0.58 -1.26 -4.86 120.64 113.53 1g4a n GLU 141 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1g4a n GLU 141 Cb 0.11 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.98 1g4a n GLU 141 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1g4a n LEU 142 N 0.00 -1.87 0.00 -4.62 4.77 -1.26 -4.83 117.00 109.20 1g4a n LEU 142 Ca 0.00 2.64 -0.13 0.00 -0.03 0.00 0.00 56.01 58.49 1g4a n LEU 142 Cb 0.00 -2.57 0.08 0.00 -2.33 0.00 0.00 43.42 38.59 1g4a n LEU 142 CO 0.00 -0.01 0.34 -1.54 -1.33 0.00 0.00 177.39 174.85 1g4a n SER 143 N -1.48 0.45 -0.25 -1.43 3.41 -1.26 -4.73 113.62 108.33 1g4a n SER 143 Ca 0.00 -1.45 -0.07 0.00 -0.26 0.00 0.00 58.87 57.09 1g4a n SER 143 Cb 0.15 -0.39 0.06 0.00 -0.26 0.00 0.00 64.21 63.77 1g4a n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g4a h ALA 144 N -1.03 0.97 0.21 7.33 0.00 -1.83 0.46 119.26 125.38 1g4a h ALA 144 Ca -0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1g4a h ALA 144 Cb 0.61 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1g4a h ALA 144 CO 0.17 0.66 -0.10 -0.09 0.00 0.00 0.00 179.25 179.89 1g4a h ARG 145 N 1.06 -0.27 0.00 0.00 2.43 -1.93 -2.09 114.38 113.58 1g4a h ARG 145 Ca 0.22 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1g4a h ARG 145 Cb 0.37 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1g4a h ARG 145 CO 0.00 -0.18 0.00 -1.91 -1.51 0.00 0.00 179.97 176.37 1g4a n GLU 146 N -2.80 0.00 -0.40 0.20 4.07 -1.19 0.04 120.64 120.56 1g4a n GLU 146 Ca -0.03 0.68 0.32 0.00 -0.06 0.00 0.00 57.16 58.07 1g4a n GLU 146 Cb 0.11 -1.25 0.59 0.00 -0.06 0.00 0.00 31.44 30.83 1g4a n GLU 146 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1g4a h ILE 147 N 0.00 0.24 0.13 6.31 2.04 -1.04 0.69 117.51 125.88 1g4a h ILE 147 Ca 0.00 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1g4a h ILE 147 Cb 0.00 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.12 1g4a h ILE 147 CO 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 178.15 178.12 1g4a h ALA 148 N 1.65 -0.18 -0.07 1.87 0.00 -0.59 -2.42 119.26 119.53 1g4a h ALA 148 Ca 0.75 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 55.37 1g4a h ALA 148 Cb 2.19 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 20.04 1g4a h ALA 148 CO -0.42 -0.33 -0.25 1.49 0.00 0.00 0.00 179.25 179.74 1g4a h GLU 149 N -0.72 0.11 0.00 0.00 4.81 0.21 0.57 114.58 119.57 1g4a h GLU 149 Ca -0.02 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 1g4a h GLU 149 Cb 0.52 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1g4a h GLU 149 CO 0.03 0.36 -0.64 0.87 -0.73 0.00 0.00 179.01 178.90 1g4a h LYS 150 N 0.10 0.00 0.21 1.92 1.57 0.20 -2.61 116.57 117.96 1g4a h LYS 150 Ca 0.02 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.47 1g4a h LYS 150 Cb 0.51 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.86 1g4a h LYS 150 CO 0.04 0.64 -1.41 0.00 -0.57 0.00 0.00 179.45 178.15 1g4a h ALA 151 N 1.36 -0.11 -0.61 3.86 0.00 -0.86 -2.71 119.26 120.18 1g4a h ALA 151 Ca -0.01 -0.84 -0.04 0.00 0.00 0.00 0.00 54.91 54.03 1g4a h ALA 151 Cb 1.20 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1g4a h ALA 151 CO 0.08 0.71 0.23 1.25 0.00 0.00 0.00 179.25 181.52 1g4a h LEU 152 N 0.18 0.81 -0.96 0.00 6.46 -0.93 0.11 115.31 120.99 1g4a h LEU 152 Ca -0.23 -0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.34 1g4a h LEU 152 Cb 2.10 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 41.80 1g4a h LEU 152 CO 0.26 0.74 -0.07 -0.78 -0.62 0.00 0.00 178.44 177.97 1g4a h ASP 153 N 0.87 0.66 -0.13 1.25 3.58 -1.47 0.78 116.42 121.96 1g4a h ASP 153 Ca 0.21 -0.17 -0.16 0.00 0.42 0.00 0.00 57.03 57.32 1g4a h ASP 153 Cb 0.18 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1g4a h ASP 153 CO -0.02 0.77 -0.48 0.40 -2.88 0.00 0.00 179.24 177.03 1g4a h ILE 154 N 0.63 1.30 0.79 2.25 2.04 -0.96 -2.54 117.51 121.02 1g4a h ILE 154 Ca 0.12 -1.68 -0.04 0.00 1.00 0.00 0.00 64.86 64.26 1g4a h ILE 154 Cb 0.50 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1g4a h ILE 154 CO 0.03 0.54 -0.42 0.00 0.00 0.00 0.00 178.15 178.30 1g4a h ALA 155 N 0.90 -1.13 -0.95 1.87 0.00 -0.12 -2.00 119.26 117.83 1g4a h ALA 155 Ca 0.03 -0.24 0.26 0.00 0.00 0.00 0.00 54.91 54.96 1g4a h ALA 155 Cb 1.04 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 1g4a h ALA 155 CO 0.10 -1.14 0.66 0.78 0.00 0.00 0.00 179.25 179.65 1g4a h GLY 156 N -1.11 0.30 1.94 0.00 0.00 -0.87 0.55 103.07 103.87 1g4a h GLY 156 Ca -0.11 -0.06 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 1g4a h GLY 156 CO 0.15 -0.02 -0.54 -0.55 0.00 0.00 0.00 176.54 175.58 1g4a h ASP 157 N 0.12 0.07 0.04 0.19 5.19 -0.92 -3.34 116.42 117.78 1g4a h ASP 157 Ca 0.47 -0.04 -0.38 0.00 -0.62 0.00 0.00 57.03 56.46 1g4a h ASP 157 Cb 1.65 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 41.09 1g4a h ASP 157 CO -0.07 0.60 -2.23 -0.38 -3.12 0.00 0.00 179.24 174.04 1g4a n ILE 158 N -3.90 1.60 -2.60 0.35 5.41 -0.13 -4.91 119.36 115.17 1g4a n ILE 158 Ca -0.02 -0.54 -0.43 0.00 1.00 0.00 0.00 62.75 62.77 1g4a n ILE 158 Cb 0.56 -1.63 -0.02 0.00 -0.71 0.00 0.00 39.64 37.84 1g4a n ILE 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1g4a n ILE 160 N 4.69 0.00 -0.07 0.00 -5.35 -1.26 -2.62 119.36 114.74 1g4a n ILE 160 Ca 0.10 -0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.69 1g4a n ILE 160 Cb 0.47 -0.47 0.26 0.00 -1.74 0.00 0.00 39.64 38.16 1g4a n ILE 160 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1g4a n TYR 161 N -1.23 0.72 -4.54 4.28 4.02 -1.26 -4.92 117.16 114.23 1g4a n TYR 161 Ca 0.15 -0.39 -0.21 0.00 -0.01 0.00 0.00 57.90 57.44 1g4a n TYR 161 Cb 0.23 -0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.40 1g4a n TYR 161 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1g4a s THR 162 N -1.18 1.02 0.00 -0.72 2.01 -1.08 0.59 115.64 116.29 1g4a s THR 162 Ca 0.41 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.79 1g4a s THR 162 Cb 0.23 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.87 1g4a s THR 162 CO 0.30 0.23 0.00 -0.46 -0.69 0.00 0.00 174.62 174.01 1g4a n ASN 163 N 2.60 1.80 -0.36 3.53 2.04 -1.26 -4.62 115.26 119.00 1g4a n ASN 163 Ca -0.15 -0.09 0.06 0.00 -0.44 0.00 0.00 54.58 53.96 1g4a n ASN 163 Cb 0.55 0.00 0.02 0.00 -2.53 0.00 0.00 39.78 37.82 1g4a n ASN 163 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 1g4a n HIS 164 N 0.00 0.00 -2.01 -2.53 8.25 -1.26 -4.50 115.22 113.16 1g4a n HIS 164 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1g4a n HIS 164 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1g4a n HIS 164 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1g4a s PHE 165 N -1.37 2.92 0.38 4.41 5.36 -1.26 -4.91 117.98 123.50 1g4a s PHE 165 Ca 0.12 0.64 0.08 0.00 -0.96 0.00 0.00 56.93 56.81 1g4a s PHE 165 Cb 0.10 -3.86 -0.05 0.00 -0.34 0.00 0.00 43.02 38.88 1g4a s PHE 165 CO 0.25 -3.21 0.14 -1.01 -1.46 0.00 0.00 175.22 169.93 1g4a s HIS 166 N 1.64 2.62 -0.25 10.12 3.76 -1.26 -1.63 115.29 130.29 1g4a s HIS 166 Ca 0.69 -0.51 -0.13 0.00 -0.15 0.00 0.00 55.06 54.96 1g4a s HIS 166 Cb -0.40 -1.80 0.08 0.00 1.11 0.00 0.00 32.58 31.57 1g4a s HIS 166 CO 0.31 0.27 0.60 0.99 -0.85 0.00 0.00 174.74 176.06 1g4a s THR 167 N -2.54 -0.22 -0.10 1.30 2.01 -1.20 -4.94 115.64 109.94 1g4a s THR 167 Ca 0.39 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.37 1g4a s THR 167 Cb 0.02 -0.89 0.04 0.00 0.01 0.00 0.00 72.50 71.68 1g4a s THR 167 CO 0.22 0.01 0.25 -0.63 -0.69 0.00 0.00 174.62 173.78 1g4a s ILE 168 N 1.87 -0.03 -0.10 1.82 1.01 -1.26 -2.63 121.20 121.88 1g4a s ILE 168 Ca -0.09 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1g4a s ILE 168 Cb -0.07 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 1g4a s ILE 168 CO -0.18 0.05 -0.09 -1.61 0.00 0.00 0.00 174.94 173.11 1g4a s GLU 169 N 1.03 3.03 0.32 2.79 0.41 -1.21 -5.01 118.70 120.06 1g4a s GLU 169 Ca -0.07 -0.60 0.01 0.00 -0.41 0.00 0.00 54.97 53.89 1g4a s GLU 169 Cb -0.09 -2.62 -0.00 0.00 -1.78 0.00 0.00 34.13 29.64 1g4a s GLU 169 CO -0.07 0.47 0.03 0.39 -0.49 0.00 0.00 175.26 175.59 1g4a n GLU 170 N 2.80 1.04 0.00 1.61 4.71 -1.26 -3.32 120.64 126.22 1g4a n GLU 170 Ca -0.18 -2.42 0.00 0.00 -0.01 0.00 0.00 57.16 54.56 1g4a n GLU 170 Cb 0.53 0.84 0.00 0.00 -1.01 0.00 0.00 31.44 31.79 1g4a n GLU 170 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 1g4a n LEU 171 N 0.00 0.00 -3.61 -4.62 -0.00 -1.26 -5.07 117.00 102.44 1g4a n LEU 171 Ca -0.11 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.78 1g4a n LEU 171 Cb 0.42 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.78 1g4a n LEU 171 CO 0.23 0.00 0.62 -0.44 -0.00 0.00 0.00 177.39 177.79 1g4a s SER 172 N 2.00 -0.55 0.00 1.45 0.01 -1.26 -4.75 113.70 110.60 1g4a s SER 172 Ca 0.00 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.21 1g4a s SER 172 Cb 0.00 0.93 0.00 0.00 0.21 0.00 0.00 66.02 67.16 1g4a s SER 172 CO 0.00 -0.26 0.00 0.00 0.41 0.00 0.00 173.24 173.39