#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3i s THR 2 N 0.00 -0.34 -0.07 12.58 2.01 -1.26 -0.59 115.64 127.97 1g3i s THR 2 Ca 0.00 0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.30 1g3i s THR 2 Cb 0.00 -0.40 0.02 0.00 0.01 0.00 0.00 72.50 72.12 1g3i s THR 2 CO 0.00 0.12 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.34 1g3i s ILE 3 N 2.27 0.87 0.02 1.82 1.01 0.33 -2.04 121.20 125.48 1g3i s ILE 3 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.37 1g3i s ILE 3 Cb -0.12 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 1g3i s ILE 3 CO -0.08 0.31 -0.05 0.54 0.00 0.00 0.00 174.94 175.66 1g3i s VAL 4 N 0.97 0.32 -0.04 2.92 0.11 0.27 0.48 120.40 125.43 1g3i s VAL 4 Ca -0.10 -0.71 -0.01 0.00 -2.93 0.00 0.00 61.98 58.23 1g3i s VAL 4 Cb -0.15 -0.38 0.03 0.00 -1.53 0.00 0.00 36.38 34.35 1g3i s VAL 4 CO 0.00 -0.26 0.04 -0.55 -3.33 0.00 0.00 175.10 171.00 1g3i s SER 5 N -1.04 0.93 0.19 3.54 0.15 0.25 -0.94 113.70 116.78 1g3i s SER 5 Ca -0.08 0.04 0.11 0.00 0.70 0.00 0.00 55.95 56.72 1g3i s SER 5 Cb -0.07 -0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 1g3i s SER 5 CO -0.00 -0.20 -0.21 -0.69 1.20 0.00 0.00 173.24 173.34 1g3i s VAL 6 N 1.82 2.56 -0.07 4.45 1.01 -0.90 -0.98 120.40 128.29 1g3i s VAL 6 Ca 0.01 -1.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.01 1g3i s VAL 6 Cb -0.12 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.05 1g3i s VAL 6 CO -0.03 -0.10 0.18 -0.60 0.00 0.00 0.00 175.10 174.54 1g3i s ARG 7 N -2.68 0.17 -0.29 2.72 3.52 -1.18 -1.25 118.95 119.95 1g3i s ARG 7 Ca 0.21 0.33 -0.16 0.00 -0.13 0.00 0.00 55.73 55.99 1g3i s ARG 7 Cb -0.08 -0.03 0.18 0.00 -1.56 0.00 0.00 34.95 33.45 1g3i s ARG 7 CO 0.11 -0.10 1.11 -0.98 -0.81 0.00 0.00 175.30 174.63 1g3i s ARG 8 N 0.66 0.22 -0.16 5.12 1.70 -0.78 -4.83 118.95 120.87 1g3i s ARG 8 Ca -0.05 0.41 -0.00 0.00 -0.47 0.00 0.00 55.73 55.62 1g3i s ARG 8 Cb -0.06 0.09 -0.00 0.00 -0.57 0.00 0.00 34.95 34.41 1g3i s ARG 8 CO -0.03 -0.05 0.14 0.09 -1.08 0.00 0.00 175.30 174.36 1g3i n ASN 9 N 3.69 -2.02 -1.21 -2.89 4.13 -1.26 -3.76 115.26 111.94 1g3i n ASN 9 Ca -0.16 -0.09 -0.15 0.00 1.68 0.00 0.00 54.58 55.86 1g3i n ASN 9 Cb 0.56 -1.13 -0.07 0.00 -1.54 0.00 0.00 39.78 37.60 1g3i n ASN 9 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1g3i n GLY 10 N -1.03 1.46 3.34 7.41 0.00 -1.26 -4.95 105.19 110.16 1g3i n GLY 10 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1g3i n GLY 10 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g3i s GLN 11 N -3.27 2.52 -0.05 1.61 -1.52 -1.25 -4.87 119.66 112.83 1g3i s GLN 11 Ca 0.00 -0.84 0.02 0.00 -1.95 0.00 0.00 55.36 52.59 1g3i s GLN 11 Cb 0.00 -2.24 0.01 0.00 -0.22 0.00 0.00 33.01 30.57 1g3i s GLN 11 CO 0.00 0.47 -0.09 0.08 -0.25 0.00 0.00 175.29 175.49 1g3i s VAL 12 N -0.36 0.90 0.01 1.09 1.01 -1.26 -1.87 120.40 119.92 1g3i s VAL 12 Ca 0.03 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1g3i s VAL 12 Cb -0.12 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1g3i s VAL 12 CO 0.02 0.30 -0.08 -0.69 0.00 0.00 0.00 175.10 174.65 1g3i s VAL 13 N 0.67 0.61 -0.12 2.92 1.01 -0.38 0.23 120.40 125.34 1g3i s VAL 13 Ca -0.12 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1g3i s VAL 13 Cb -0.14 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.72 1g3i s VAL 13 CO 0.02 0.05 -0.11 -0.69 0.00 0.00 0.00 175.10 174.38 1g3i s VAL 14 N -0.43 1.25 0.05 2.92 1.01 -0.08 -2.11 120.40 123.00 1g3i s VAL 14 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1g3i s VAL 14 Cb -0.04 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1g3i s VAL 14 CO -0.00 0.40 -0.08 -0.83 0.00 0.00 0.00 175.10 174.59 1g3i s GLY 15 N 1.48 0.56 0.21 4.51 0.00 -0.11 -2.08 107.32 111.90 1g3i s GLY 15 Ca 0.02 -0.85 -0.13 0.00 0.00 0.00 0.00 44.72 43.76 1g3i s GLY 15 CO -0.07 -0.90 0.45 -0.32 0.00 0.00 0.00 173.10 172.25 1g3i s GLY 16 N -1.76 0.34 0.00 0.20 0.00 -1.08 -0.56 107.32 104.46 1g3i s GLY 16 Ca -0.07 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 43.96 1g3i s GLY 16 CO -0.00 -0.57 0.00 2.09 0.00 0.00 0.00 173.10 174.62 1g3i n ASP 17 N -0.33 0.00 -0.47 1.64 5.75 -0.87 -2.15 116.55 120.13 1g3i n ASP 17 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 1g3i n ASP 17 Cb 0.62 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1g3i n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1g3i n GLY 18 N 3.93 0.87 3.57 6.12 0.00 -0.88 -4.09 105.19 114.71 1g3i n GLY 18 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1g3i n GLY 18 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g3i s GLN 19 N 0.00 3.66 -0.69 1.61 0.74 -1.26 -1.38 119.66 122.35 1g3i s GLN 19 Ca 0.00 0.08 -0.16 0.00 0.05 0.00 0.00 55.36 55.33 1g3i s GLN 19 Cb 0.00 -3.82 0.15 0.00 1.10 0.00 0.00 33.01 30.44 1g3i s GLN 19 CO 0.00 -0.79 0.71 0.08 -0.55 0.00 0.00 175.29 174.74 1g3i s VAL 20 N 2.82 5.18 0.38 1.34 1.01 0.74 -4.73 120.40 127.14 1g3i s VAL 20 Ca 0.26 -1.69 -0.20 0.00 0.00 0.00 0.00 61.98 60.35 1g3i s VAL 20 Cb -0.14 -4.47 -0.10 0.00 0.00 0.00 0.00 36.38 31.67 1g3i s VAL 20 CO 0.16 -1.06 0.89 -0.44 0.00 0.00 0.00 175.10 174.64 1g3i s SER 21 N 3.14 6.96 -0.34 3.32 0.01 -1.26 -1.40 113.70 124.13 1g3i s SER 21 Ca 0.13 1.60 -0.01 0.00 1.31 0.00 0.00 55.95 58.98 1g3i s SER 21 Cb -0.19 -2.50 0.12 0.00 0.21 0.00 0.00 66.02 63.65 1g3i s SER 21 CO -0.01 -0.27 0.16 -0.22 0.41 0.00 0.00 173.24 173.31 1g3i s LEU 22 N -2.93 1.53 0.00 2.44 2.96 0.39 -4.82 118.68 118.26 1g3i s LEU 22 Ca 0.58 -1.84 0.00 0.00 -0.22 0.00 0.00 54.13 52.65 1g3i s LEU 22 Cb -0.11 -0.64 0.00 0.00 0.50 0.00 0.00 46.19 45.95 1g3i s LEU 22 CO 0.16 -0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.43 1g3i n GLY 23 N 4.55 2.34 0.04 7.98 0.00 -1.26 -2.23 105.19 116.61 1g3i n GLY 23 Ca 0.02 -0.31 0.03 0.00 0.00 0.00 0.00 46.02 45.76 1g3i n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g3i n ASN 24 N 9.35 2.13 -4.89 1.61 5.03 -1.26 -5.01 115.26 122.22 1g3i n ASN 24 Ca 0.00 -2.27 -0.22 0.00 0.87 0.00 0.00 54.58 52.96 1g3i n ASN 24 Cb 0.00 -0.11 -0.02 0.00 -1.02 0.00 0.00 39.78 38.62 1g3i n ASN 24 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1g3i s THR 25 N -1.47 2.39 -0.25 3.41 -4.23 -0.95 -5.11 115.64 109.44 1g3i s THR 25 Ca 0.09 -1.36 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 1g3i s THR 25 Cb 0.07 -2.76 0.06 0.00 1.34 0.00 0.00 72.50 71.22 1g3i s THR 25 CO 0.01 0.00 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.33 1g3i s VAL 26 N -2.56 1.74 0.27 2.29 1.01 -1.26 -0.46 120.40 121.43 1g3i s VAL 26 Ca 0.46 -1.37 0.15 0.00 0.00 0.00 0.00 61.98 61.22 1g3i s VAL 26 Cb -0.03 -1.96 0.08 0.00 0.00 0.00 0.00 36.38 34.48 1g3i s VAL 26 CO 0.27 -0.09 1.74 -0.03 0.00 0.00 0.00 175.10 176.99 1g3i h MET 27 N 7.89 0.00 -2.11 2.72 -1.53 -1.55 -3.46 114.93 116.89 1g3i h MET 27 Ca -0.18 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.08 1g3i h MET 27 Cb 1.06 0.00 -0.18 0.00 -0.55 0.00 0.00 31.60 31.93 1g3i h MET 27 CO 0.43 0.43 0.31 0.21 0.14 0.00 0.00 176.91 178.43 1g3i s LYS 28 N -3.79 0.97 0.00 0.39 2.20 -1.19 -5.02 119.74 113.30 1g3i s LYS 28 Ca -0.01 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 1g3i s LYS 28 Cb 0.12 0.45 0.00 0.00 -1.51 0.00 0.00 37.83 36.90 1g3i s LYS 28 CO 0.71 -0.34 0.07 0.41 -0.36 0.00 0.00 175.35 175.84 1g3i n GLY 29 N 0.51 0.67 1.88 5.54 0.00 -1.25 -0.19 105.19 112.34 1g3i n GLY 29 Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1g3i n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1g3i n ASN 30 N -0.83 5.00 -4.83 1.61 0.23 -1.13 -4.07 115.26 111.24 1g3i n ASN 30 Ca 0.00 -3.77 -0.32 0.00 -0.53 0.00 0.00 54.58 49.95 1g3i n ASN 30 Cb 0.00 -0.56 -0.01 0.00 -2.08 0.00 0.00 39.78 37.13 1g3i n ASN 30 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1g3i s ALA 31 N -3.58 2.94 -0.58 -2.53 0.00 -0.48 -5.01 121.76 112.53 1g3i s ALA 31 Ca 0.53 0.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.60 1g3i s ALA 31 Cb 0.43 -3.15 0.15 0.00 0.00 0.00 0.00 23.12 20.55 1g3i s ALA 31 CO 0.02 -0.53 0.46 1.03 0.00 0.00 0.00 175.76 176.74 1g3i s ARG 32 N -4.26 2.78 0.00 0.00 0.52 -1.26 -4.19 118.95 112.53 1g3i s ARG 32 Ca 0.60 -2.02 0.18 0.00 -0.52 0.00 0.00 55.73 53.97 1g3i s ARG 32 Cb -0.12 -4.04 0.93 0.00 0.52 0.00 0.00 34.95 32.24 1g3i s ARG 32 CO 0.37 -1.23 1.62 1.63 0.02 0.00 0.00 175.30 177.72 1g3i n LYS 33 N 4.53 1.25 -3.88 3.54 5.02 -1.26 -4.73 118.16 122.63 1g3i n LYS 33 Ca -0.02 -0.38 -0.19 0.00 -2.02 0.00 0.00 58.31 55.71 1g3i n LYS 33 Cb 0.41 -1.31 -0.17 0.00 -0.02 0.00 0.00 35.03 33.95 1g3i n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1g3i s VAL 34 N -1.92 0.19 0.36 -0.18 1.01 -1.26 -1.52 120.40 117.08 1g3i s VAL 34 Ca 0.28 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.43 1g3i s VAL 34 Cb 0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 1g3i s VAL 34 CO 0.22 0.17 0.18 -0.13 0.00 0.00 0.00 175.10 175.54 1g3i s ARG 35 N 1.33 1.80 -0.05 2.72 0.52 -0.16 -4.93 118.95 120.18 1g3i s ARG 35 Ca -0.05 -2.07 -0.01 0.00 -0.52 0.00 0.00 55.73 53.08 1g3i s ARG 35 Cb -0.13 -0.23 -0.04 0.00 0.52 0.00 0.00 34.95 35.07 1g3i s ARG 35 CO -0.02 -0.52 0.04 1.03 0.02 0.00 0.00 175.30 175.85 1g3i s ARG 36 N -3.67 3.03 0.35 3.54 0.52 -1.26 -1.73 118.95 119.73 1g3i s ARG 36 Ca 0.31 -0.44 0.04 0.00 -0.52 0.00 0.00 55.73 55.13 1g3i s ARG 36 Cb 0.03 -2.84 -0.06 0.00 0.52 0.00 0.00 34.95 32.60 1g3i s ARG 36 CO 0.19 0.68 0.05 -0.51 0.02 0.00 0.00 175.30 175.73 1g3i s LEU 37 N -1.31 2.33 -0.81 2.53 1.43 -0.47 -4.79 118.68 117.58 1g3i s LEU 37 Ca 0.18 -1.40 -0.01 0.00 -1.03 0.00 0.00 54.13 51.87 1g3i s LEU 37 Cb -0.12 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.61 1g3i s LEU 37 CO 0.08 -0.60 0.61 0.00 0.23 0.00 0.00 176.35 176.67 1g3i n TYR 38 N -0.78 -2.12 -3.59 0.29 -0.00 -1.26 -2.43 117.16 107.27 1g3i n TYR 38 Ca -0.03 0.87 -0.22 0.00 -0.00 0.00 0.00 57.90 58.51 1g3i n TYR 38 Cb 0.67 -2.84 0.01 0.00 -0.00 0.00 0.00 39.34 37.18 1g3i n TYR 38 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 1g3i n ASN 39 N -2.51 -5.72 -3.88 2.98 3.02 -1.26 -2.69 115.26 105.21 1g3i n ASN 39 Ca -0.29 -0.77 -0.31 0.00 -0.03 0.00 0.00 54.58 53.18 1g3i n ASN 39 Cb 0.68 -3.10 -0.07 0.00 -0.61 0.00 0.00 39.78 36.69 1g3i n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g3i n GLY 40 N -1.72 -0.25 0.00 7.41 0.00 -1.15 -4.78 105.19 104.70 1g3i n GLY 40 Ca -0.16 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1g3i n GLY 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1g3i n LYS 41 N -3.41 -0.74 -4.07 1.61 0.00 -1.02 -4.96 118.16 105.57 1g3i n LYS 41 Ca -0.00 -0.42 -0.15 0.00 -0.00 0.00 0.00 58.31 57.74 1g3i n LYS 41 Cb 0.40 -0.92 -0.14 0.00 -0.00 0.00 0.00 35.03 34.37 1g3i n LYS 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1g3i s VAL 42 N -0.02 0.29 -0.05 0.58 -7.23 -1.16 -4.27 120.40 108.54 1g3i s VAL 42 Ca 0.00 -0.16 -0.05 0.00 -1.81 0.00 0.00 61.98 59.96 1g3i s VAL 42 Cb 0.00 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.65 1g3i s VAL 42 CO 0.00 0.08 0.18 -0.76 -0.31 0.00 0.00 175.10 174.29 1g3i s LEU 43 N -0.10 4.38 -0.14 1.32 1.43 0.23 -1.37 118.68 124.44 1g3i s LEU 43 Ca 0.01 0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 53.50 1g3i s LEU 43 Cb -0.01 -2.39 0.07 0.00 0.03 0.00 0.00 46.19 43.88 1g3i s LEU 43 CO -0.00 0.33 0.28 0.00 0.23 0.00 0.00 176.35 177.18 1g3i s ALA 44 N -1.19 -0.63 -0.05 4.21 0.00 -0.71 -1.17 121.76 122.22 1g3i s ALA 44 Ca 0.22 1.01 0.05 0.00 0.00 0.00 0.00 51.96 53.24 1g3i s ALA 44 Cb -0.12 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 1g3i s ALA 44 CO 0.12 -0.62 -0.22 0.20 0.00 0.00 0.00 175.76 175.24 1g3i s GLY 45 N 2.36 1.36 0.03 0.00 0.00 0.13 -0.99 107.32 110.21 1g3i s GLY 45 Ca 0.00 -1.04 0.07 0.00 0.00 0.00 0.00 44.72 43.76 1g3i s GLY 45 CO -0.09 -0.69 -0.21 -0.11 0.00 0.00 0.00 173.10 172.00 1g3i s PHE 46 N -0.32 1.86 -0.07 1.90 -0.71 -0.58 0.27 117.98 120.35 1g3i s PHE 46 Ca 0.01 -0.37 -0.03 0.00 -1.04 0.00 0.00 56.93 55.50 1g3i s PHE 46 Cb -0.13 -1.13 0.04 0.00 -1.21 0.00 0.00 43.02 40.59 1g3i s PHE 46 CO 0.02 0.07 0.15 0.00 -1.34 0.00 0.00 175.22 174.12 1g3i s ALA 47 N -0.74 -0.30 0.00 1.99 0.00 -0.39 -4.88 121.76 117.44 1g3i s ALA 47 Ca 0.08 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1g3i s ALA 47 Cb -0.09 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1g3i s ALA 47 CO 0.01 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1g3i n GLY 48 N 4.02 -0.18 3.68 0.00 0.00 -1.26 -0.39 105.19 111.05 1g3i n GLY 48 Ca -0.24 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 1g3i n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g3i s GLY 49 N 0.00 1.98 0.14 -0.02 0.00 -0.94 -4.83 107.32 103.66 1g3i s GLY 49 Ca 0.00 0.55 0.01 0.00 0.00 0.00 0.00 44.72 45.28 1g3i s GLY 49 CO 0.00 2.27 0.71 -1.30 0.00 0.00 0.00 173.10 174.78 1g3i n THR 50 N 4.84 -0.19 0.00 0.90 -2.24 -1.26 0.76 114.28 117.09 1g3i n THR 50 Ca 0.12 0.99 0.00 0.00 -2.27 0.00 0.00 64.05 62.89 1g3i n THR 50 Cb 0.46 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 1g3i n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g3i n ALA 51 N -3.40 -0.02 -0.25 6.98 0.00 -1.26 -3.19 120.51 119.38 1g3i n ALA 51 Ca 0.11 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.78 1g3i n ALA 51 Cb 0.36 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.22 1g3i n ALA 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1g3i n ASP 52 N -0.75 0.20 0.11 0.00 9.92 -0.80 0.21 116.55 125.45 1g3i n ASP 52 Ca 0.00 1.04 -0.07 0.00 -0.53 0.00 0.00 54.79 55.23 1g3i n ASP 52 Cb 0.00 -0.51 -0.04 0.00 -0.64 0.00 0.00 41.12 39.93 1g3i n ASP 52 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1g3i h ALA 53 N 1.24 -0.90 -0.32 2.24 0.00 0.23 0.51 119.26 122.25 1g3i h ALA 53 Ca 0.57 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.48 1g3i h ALA 53 Cb 1.62 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 19.81 1g3i h ALA 53 CO -0.45 -0.91 -0.19 0.74 0.00 0.00 0.00 179.25 178.44 1g3i h PHE 54 N -0.41 -0.47 -0.95 0.00 -1.00 0.26 0.41 116.94 114.79 1g3i h PHE 54 Ca -0.02 0.04 0.14 0.00 2.81 0.00 0.00 57.97 60.94 1g3i h PHE 54 Cb 0.36 0.26 -0.09 0.00 3.61 0.00 0.00 35.95 40.08 1g3i h PHE 54 CO -0.17 -0.26 0.57 0.00 -1.61 0.00 0.00 178.31 176.84 1g3i h THR 55 N -0.14 0.82 0.30 -1.55 1.03 -0.66 0.84 112.91 113.55 1g3i h THR 55 Ca 0.17 -0.29 -0.01 0.00 -0.01 0.00 0.00 66.41 66.27 1g3i h THR 55 Cb 0.40 -0.09 0.00 0.00 -1.07 0.00 0.00 68.15 67.39 1g3i h THR 55 CO -0.41 0.15 -0.15 0.25 -0.01 0.00 0.00 175.52 175.36 1g3i h LEU 56 N 0.83 -0.35 -0.97 0.00 6.46 0.14 -2.11 115.31 119.32 1g3i h LEU 56 Ca 0.50 0.01 0.29 0.00 -0.12 0.00 0.00 57.88 58.57 1g3i h LEU 56 Cb 0.63 0.09 -0.18 0.00 -0.73 0.00 0.00 40.66 40.47 1g3i h LEU 56 CO -0.32 -0.21 0.10 0.33 -0.62 0.00 0.00 178.44 177.72 1g3i n PHE 57 N -3.28 0.71 0.22 1.25 -0.00 -0.00 0.59 117.46 116.94 1g3i n PHE 57 Ca -0.05 1.17 0.08 0.00 -0.00 0.00 0.00 57.45 58.65 1g3i n PHE 57 Cb 0.16 -1.28 0.52 0.00 -0.00 0.00 0.00 39.48 38.88 1g3i n PHE 57 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1g3i h GLU 58 N 0.00 0.00 0.13 -4.13 5.08 0.82 -2.68 114.58 113.80 1g3i h GLU 58 Ca 0.63 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.70 1g3i h GLU 58 Cb 1.38 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.65 1g3i h GLU 58 CO -0.89 0.24 -1.24 -0.07 -1.00 0.00 0.00 179.01 176.05 1g3i h LEU 59 N 0.00 0.71 -1.76 1.33 4.07 0.85 -3.16 115.31 117.34 1g3i h LEU 59 Ca -0.00 -0.68 -0.02 0.00 0.08 0.00 0.00 57.88 57.26 1g3i h LEU 59 Cb 0.57 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 1g3i h LEU 59 CO 0.03 1.51 -0.02 0.15 -1.08 0.00 0.00 178.44 179.03 1g3i h PHE 60 N 0.19 0.12 0.12 1.13 3.57 -1.07 -2.25 116.94 118.75 1g3i h PHE 60 Ca -0.17 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.32 1g3i h PHE 60 Cb 1.93 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.63 1g3i h PHE 60 CO 0.10 0.15 -0.06 1.49 -2.23 0.00 0.00 178.31 177.76 1g3i h GLU 61 N 0.12 -0.15 -0.91 1.11 4.81 -1.50 0.11 114.58 118.17 1g3i h GLU 61 Ca 0.03 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.39 1g3i h GLU 61 Cb 0.12 0.03 -0.13 0.00 0.63 0.00 0.00 28.75 29.40 1g3i h GLU 61 CO 0.00 0.22 -0.47 0.00 -0.73 0.00 0.00 179.01 178.03 1g3i h ARG 62 N -0.55 -0.05 -0.39 1.92 3.08 -1.39 1.07 114.38 118.07 1g3i h ARG 62 Ca -0.02 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.11 1g3i h ARG 62 Cb 0.44 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.44 1g3i h ARG 62 CO 0.03 -0.03 -0.03 0.87 -1.07 0.00 0.00 179.97 179.73 1g3i h LYS 63 N -0.05 0.07 -0.72 0.04 6.56 -1.22 0.47 116.57 121.71 1g3i h LYS 63 Ca 0.24 -0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.86 1g3i h LYS 63 Cb 0.52 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 32.12 1g3i h LYS 63 CO -0.91 0.04 0.45 -0.07 -2.06 0.00 0.00 179.45 176.91 1g3i h LEU 64 N 0.07 0.74 -1.20 2.94 3.38 0.21 -0.80 115.31 120.66 1g3i h LEU 64 Ca 0.19 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1g3i h LEU 64 Cb 0.27 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1g3i h LEU 64 CO -0.34 0.51 0.35 -0.33 0.09 0.00 0.00 178.44 178.73 1g3i h GLU 65 N 0.88 0.91 0.00 1.13 4.39 0.30 -1.25 114.58 120.95 1g3i h GLU 65 Ca 0.29 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1g3i h GLU 65 Cb 0.02 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1g3i h GLU 65 CO -0.11 0.67 0.00 0.52 -1.16 0.00 0.00 179.01 178.93 1g3i h MET 66 N 0.91 0.00 -1.63 2.33 2.86 0.12 -3.38 114.93 116.14 1g3i h MET 66 Ca 0.23 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.35 1g3i h MET 66 Cb 0.03 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 31.28 1g3i h MET 66 CO -0.04 0.00 -0.88 0.72 1.06 0.00 0.00 176.91 177.78 1g3i n HIS 67 N -2.39 2.65 -2.41 -0.22 8.25 -0.54 -4.95 115.22 115.62 1g3i n HIS 67 Ca 0.04 -3.32 -0.04 0.00 -0.26 0.00 0.00 57.72 54.14 1g3i n HIS 67 Cb 0.39 -0.28 -0.00 0.00 1.12 0.00 0.00 29.99 31.22 1g3i n HIS 67 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1g3i n GLN 68 N -0.24 -2.68 -3.68 -0.41 6.02 -1.24 -0.88 117.38 114.28 1g3i n GLN 68 Ca 0.29 0.18 -0.24 0.00 -0.01 0.00 0.00 57.00 57.21 1g3i n GLN 68 Cb 0.64 -4.68 0.06 0.00 1.02 0.00 0.00 30.24 27.27 1g3i n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1g3i n GLY 69 N -0.56 -0.47 3.46 1.08 0.00 -0.52 -4.91 105.19 103.27 1g3i n GLY 69 Ca -0.04 0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1g3i n GLY 69 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g3i s HIS 70 N -3.36 2.94 0.02 1.61 3.76 -0.06 -4.91 115.29 115.29 1g3i s HIS 70 Ca 0.45 -1.12 -0.03 0.00 -0.15 0.00 0.00 55.06 54.21 1g3i s HIS 70 Cb -0.21 -4.33 -0.01 0.00 1.11 0.00 0.00 32.58 29.14 1g3i s HIS 70 CO 0.77 -1.58 0.79 -0.11 -0.85 0.00 0.00 174.74 173.76 1g3i n LEU 71 N 7.08 -0.11 -0.06 0.89 -0.00 -1.26 -0.90 117.00 122.63 1g3i n LEU 71 Ca 0.18 0.82 -0.08 0.00 -0.00 0.00 0.00 56.01 56.93 1g3i n LEU 71 Cb 0.48 -0.34 -0.05 0.00 -0.00 0.00 0.00 43.42 43.51 1g3i n LEU 71 CO 0.55 -0.47 0.50 0.25 -0.00 0.00 0.00 177.39 178.23 1g3i h LEU 72 N 0.00 -1.01 0.01 -1.96 7.12 -1.99 -1.73 115.31 115.75 1g3i h LEU 72 Ca 0.02 0.13 0.03 0.00 0.13 0.00 0.00 57.88 58.19 1g3i h LEU 72 Cb 0.04 0.41 -0.05 0.00 -0.53 0.00 0.00 40.66 40.53 1g3i h LEU 72 CO -0.10 -0.23 -0.34 0.50 -0.13 0.00 0.00 178.44 178.14 1g3i h LYS 73 N -0.23 -0.48 -0.96 1.25 3.64 -1.86 -1.86 116.57 116.06 1g3i h LYS 73 Ca 0.04 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.61 1g3i h LYS 73 Cb 0.33 0.11 -0.16 0.00 -0.41 0.00 0.00 32.23 32.10 1g3i h LYS 73 CO -0.31 -0.32 -0.35 0.77 -2.27 0.00 0.00 179.45 176.96 1g3i h SER 74 N -0.50 -1.30 0.11 4.20 0.02 -0.78 0.37 113.55 115.67 1g3i h SER 74 Ca 0.06 0.30 0.02 0.00 -0.84 0.00 0.00 61.79 61.33 1g3i h SER 74 Cb 0.58 0.71 -0.05 0.00 0.14 0.00 0.00 62.40 63.79 1g3i h SER 74 CO -0.27 -0.30 -0.44 0.00 -1.14 0.00 0.00 176.83 174.68 1g3i h ALA 75 N 1.48 -0.78 -0.13 3.77 0.00 -0.54 0.62 119.26 123.68 1g3i h ALA 75 Ca 0.36 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1g3i h ALA 75 Cb 0.62 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 1g3i h ALA 75 CO -0.97 -1.01 -0.11 0.28 0.00 0.00 0.00 179.25 177.44 1g3i h VAL 76 N -0.67 0.69 -0.96 0.00 2.07 -0.26 0.36 116.25 117.48 1g3i h VAL 76 Ca 0.02 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.73 1g3i h VAL 76 Cb 0.69 0.69 -0.09 0.00 -1.52 0.00 0.00 31.29 31.07 1g3i h VAL 76 CO -0.26 0.00 0.61 -0.33 0.02 0.00 0.00 177.57 177.61 1g3i h GLU 77 N -0.12 0.58 0.25 1.57 4.39 -0.03 0.92 114.58 122.15 1g3i h GLU 77 Ca 0.09 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1g3i h GLU 77 Cb 0.25 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1g3i h GLU 77 CO -0.21 0.39 -0.12 1.25 -1.16 0.00 0.00 179.01 179.16 1g3i h LEU 78 N 0.60 -0.29 -0.71 1.33 5.85 0.70 -3.13 115.31 119.66 1g3i h LEU 78 Ca 0.52 -0.24 0.13 0.00 0.84 0.00 0.00 57.88 59.14 1g3i h LEU 78 Cb 1.02 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.03 1g3i h LEU 78 CO -0.27 0.15 0.25 0.00 -0.34 0.00 0.00 178.44 178.23 1g3i h ALA 79 N -0.25 0.96 -0.78 1.25 0.00 1.00 -0.31 119.26 121.13 1g3i h ALA 79 Ca -0.03 0.12 0.18 0.00 0.00 0.00 0.00 54.91 55.18 1g3i h ALA 79 Cb 0.51 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.28 1g3i h ALA 79 CO 0.06 -0.23 0.04 1.57 0.00 0.00 0.00 179.25 180.68 1g3i h LYS 80 N 0.39 0.11 0.00 0.00 5.09 0.87 -0.67 116.57 122.36 1g3i h LYS 80 Ca 0.39 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 61.12 1g3i h LYS 80 Cb 0.58 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 32.89 1g3i h LYS 80 CO -0.40 0.07 0.33 -0.25 -2.09 0.00 0.00 179.45 177.11 1g3i n ASP 81 N -5.34 0.18 -0.11 7.07 10.43 -0.13 0.08 116.55 128.75 1g3i n ASP 81 Ca 0.15 0.42 -0.13 0.00 2.57 0.00 0.00 54.79 57.79 1g3i n ASP 81 Cb 0.51 -0.36 -0.12 0.00 1.84 0.00 0.00 41.12 42.99 1g3i n ASP 81 CO 0.00 0.00 0.00 0.79 -1.07 0.00 0.00 177.20 176.92 1g3i n TRP 82 N -1.74 0.00 0.75 1.24 8.01 -0.26 -3.92 117.44 121.52 1g3i n TRP 82 Ca -0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1g3i n TRP 82 Cb 0.34 -0.90 0.00 0.00 -2.01 0.00 0.00 31.31 28.74 1g3i n TRP 82 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 1g3i n ARG 83 N -2.97 0.75 -3.64 -0.99 1.74 0.11 -4.44 116.66 107.23 1g3i n ARG 83 Ca -0.37 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.51 1g3i n ARG 83 Cb 1.01 -1.18 -0.02 0.00 -1.02 0.00 0.00 32.46 31.25 1g3i n ARG 83 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1g3i s THR 84 N -0.01 3.49 0.59 0.55 -4.23 -1.22 -4.96 115.64 109.85 1g3i s THR 84 Ca 0.00 -1.25 0.30 0.00 -1.18 0.00 0.00 61.69 59.56 1g3i s THR 84 Cb 0.00 -3.20 0.36 0.00 1.34 0.00 0.00 72.50 71.00 1g3i s THR 84 CO 0.00 -0.13 2.24 -2.24 -0.54 0.00 0.00 174.62 173.94 1g3i h ASP 85 N 1.09 0.00 0.00 3.99 3.04 -1.96 -3.35 116.42 119.23 1g3i h ASP 85 Ca -0.44 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.35 1g3i h ASP 85 Cb 1.26 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.55 1g3i h ASP 85 CO 0.56 0.00 0.00 -1.14 -2.04 0.00 0.00 179.24 176.62 1g3i n ARG 86 N -3.80 0.00 0.00 4.15 0.63 -1.26 -5.13 116.66 111.25 1g3i n ARG 86 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1g3i n ARG 86 Cb 0.12 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.03 1g3i n ARG 86 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1g3i n ALA 87 N -3.00 0.00 -2.55 5.13 0.00 -1.26 -5.06 120.51 113.77 1g3i n ALA 87 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1g3i n ALA 87 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1g3i n ALA 87 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1g3i s LEU 88 N 0.00 2.87 0.19 0.00 0.20 -1.25 -4.98 118.68 115.70 1g3i s LEU 88 Ca 0.00 -1.18 -0.15 0.00 0.69 0.00 0.00 54.13 53.49 1g3i s LEU 88 Cb 0.00 -1.10 0.19 0.00 -0.43 0.00 0.00 46.19 44.85 1g3i s LEU 88 CO 0.00 -0.31 1.27 0.54 -0.29 0.00 0.00 176.35 177.56 1g3i n ARG 89 N -0.92 -0.20 -0.07 1.98 1.74 -1.26 -4.87 116.66 113.06 1g3i n ARG 89 Ca -0.04 1.26 0.00 0.00 -0.77 0.00 0.00 57.85 58.30 1g3i n ARG 89 Cb 0.64 -1.87 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1g3i n ARG 89 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1g3i n LYS 90 N -5.20 0.00 -2.24 5.56 -0.00 -1.26 -5.08 118.16 109.94 1g3i n LYS 90 Ca 0.08 0.02 -0.42 0.00 -0.00 0.00 0.00 58.31 57.99 1g3i n LYS 90 Cb 0.32 -0.07 -0.03 0.00 -0.00 0.00 0.00 35.03 35.25 1g3i n LYS 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1g3i s LEU 91 N -0.07 4.36 -1.57 -5.58 2.01 -1.20 -4.91 118.68 111.73 1g3i s LEU 91 Ca 0.00 2.21 -0.11 0.00 0.01 0.00 0.00 54.13 56.24 1g3i s LEU 91 Cb 0.00 -3.58 -0.06 0.00 0.01 0.00 0.00 46.19 42.56 1g3i s LEU 91 CO 0.00 -0.62 2.77 -0.62 1.01 0.00 0.00 176.35 178.89 1g3i n GLU 92 N 4.19 3.45 -3.57 1.70 -0.58 -1.26 -3.45 120.64 121.13 1g3i n GLU 92 Ca 0.11 -2.27 -0.08 0.00 -0.42 0.00 0.00 57.16 54.50 1g3i n GLU 92 Cb 0.44 -2.90 -0.02 0.00 -0.57 0.00 0.00 31.44 28.38 1g3i n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g3i s ALA 93 N 2.46 -1.71 0.21 0.62 0.00 -1.26 -2.21 121.76 119.87 1g3i s ALA 93 Ca 0.64 0.64 0.06 0.00 0.00 0.00 0.00 51.96 53.30 1g3i s ALA 93 Cb 0.17 0.57 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 1g3i s ALA 93 CO -0.06 -0.80 -0.11 -1.64 0.00 0.00 0.00 175.76 173.14 1g3i s MET 94 N -3.31 1.31 0.08 0.00 -1.94 0.48 -0.79 119.30 115.13 1g3i s MET 94 Ca 0.06 -1.60 0.04 0.00 -1.71 0.00 0.00 55.69 52.48 1g3i s MET 94 Cb -0.01 -0.96 -0.03 0.00 2.01 0.00 0.00 34.83 35.83 1g3i s MET 94 CO -0.06 0.11 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.44 1g3i s LEU 95 N -3.30 2.36 -0.20 -0.03 1.43 0.12 -1.27 118.68 117.79 1g3i s LEU 95 Ca 0.23 -0.73 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1g3i s LEU 95 Cb 0.01 -0.33 0.04 0.00 0.03 0.00 0.00 46.19 45.94 1g3i s LEU 95 CO 0.06 -0.21 -0.13 -0.63 0.23 0.00 0.00 176.35 175.67 1g3i s ILE 96 N -2.04 1.78 0.15 -0.59 1.01 0.14 -0.80 121.20 120.85 1g3i s ILE 96 Ca 0.02 -1.02 0.09 0.00 0.00 0.00 0.00 60.65 59.74 1g3i s ILE 96 Cb -0.05 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 1g3i s ILE 96 CO 0.01 0.26 -0.14 0.68 0.00 0.00 0.00 174.94 175.74 1g3i s VAL 97 N 1.35 2.98 -0.29 2.92 -7.23 0.56 -0.70 120.40 120.00 1g3i s VAL 97 Ca -0.00 -1.60 -0.21 0.00 -1.81 0.00 0.00 61.98 58.36 1g3i s VAL 97 Cb -0.16 -2.43 0.15 0.00 0.56 0.00 0.00 36.38 34.51 1g3i s VAL 97 CO -0.09 -0.01 1.09 0.00 -0.31 0.00 0.00 175.10 175.78 1g3i s ALA 98 N -1.44 -2.18 0.44 1.32 0.00 -0.32 0.13 121.76 119.71 1g3i s ALA 98 Ca 0.21 1.98 0.02 0.00 0.00 0.00 0.00 51.96 54.17 1g3i s ALA 98 Cb -0.10 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.38 1g3i s ALA 98 CO 0.13 -0.26 0.06 -0.40 0.00 0.00 0.00 175.76 175.29 1g3i n ASP 99 N 2.74 2.37 -0.34 0.00 3.85 -0.55 0.77 116.55 125.39 1g3i n ASP 99 Ca -0.15 -3.09 0.17 0.00 -0.71 0.00 0.00 54.79 51.02 1g3i n ASP 99 Cb 0.57 0.63 0.33 0.00 -1.35 0.00 0.00 41.12 41.30 1g3i n ASP 99 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1g3i h GLU 100 N 0.00 0.01 0.05 0.11 4.11 -1.93 -2.96 114.58 113.96 1g3i h GLU 100 Ca -0.36 -0.00 -0.35 0.00 0.07 0.00 0.00 59.36 58.72 1g3i h GLU 100 Cb 1.18 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1g3i h GLU 100 CO 0.58 0.01 -2.08 0.36 0.07 0.00 0.00 179.01 177.94 1g3i n LYS 101 N -5.46 0.69 -4.73 1.06 2.85 -1.26 -4.96 118.16 106.35 1g3i n LYS 101 Ca 0.25 0.21 -0.32 0.00 -1.05 0.00 0.00 58.31 57.40 1g3i n LYS 101 Cb 0.83 -1.66 -0.08 0.00 -0.65 0.00 0.00 35.03 33.47 1g3i n LYS 101 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1g3i s GLU 102 N -2.55 2.15 -0.22 -1.58 0.41 -1.12 -5.14 118.70 110.65 1g3i s GLU 102 Ca -0.18 -2.34 -0.10 0.00 -0.41 0.00 0.00 54.97 51.94 1g3i s GLU 102 Cb 0.07 -1.55 0.09 0.00 -1.78 0.00 0.00 34.13 30.96 1g3i s GLU 102 CO 0.76 -0.30 0.51 0.45 -0.49 0.00 0.00 175.26 176.19 1g3i s SER 103 N -3.84 -0.62 0.25 -0.19 0.15 -1.26 -1.49 113.70 106.70 1g3i s SER 103 Ca 0.12 1.17 0.00 0.00 0.70 0.00 0.00 55.95 57.94 1g3i s SER 103 Cb 0.03 1.35 -0.03 0.00 -1.71 0.00 0.00 66.02 65.67 1g3i s SER 103 CO 0.06 -0.22 0.23 -0.76 1.20 0.00 0.00 173.24 173.75 1g3i s LEU 104 N 2.11 1.24 -0.04 3.45 1.02 0.35 -4.39 118.68 122.42 1g3i s LEU 104 Ca -0.06 -1.46 -0.02 0.00 0.02 0.00 0.00 54.13 52.61 1g3i s LEU 104 Cb -0.10 0.64 0.03 0.00 0.02 0.00 0.00 46.19 46.79 1g3i s LEU 104 CO -0.15 -0.97 0.05 -0.51 0.02 0.00 0.00 176.35 174.79 1g3i s ILE 105 N -3.86 -0.06 -0.08 -0.59 2.07 -0.93 -0.32 121.20 117.43 1g3i s ILE 105 Ca 0.37 0.37 0.03 0.00 -1.41 0.00 0.00 60.65 60.02 1g3i s ILE 105 Cb 0.04 -0.17 -0.02 0.00 0.13 0.00 0.00 42.46 42.45 1g3i s ILE 105 CO 0.17 0.17 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.56 1g3i s ILE 106 N 1.97 2.66 0.22 2.00 1.01 0.02 -1.70 121.20 127.37 1g3i s ILE 106 Ca 0.03 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.90 1g3i s ILE 106 Cb -0.12 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 1g3i s ILE 106 CO -0.03 0.56 0.17 0.42 0.00 0.00 0.00 174.94 176.07 1g3i s THR 107 N -0.17 4.47 0.34 2.92 -4.23 -0.95 0.11 115.64 118.12 1g3i s THR 107 Ca -0.02 -1.27 0.27 0.00 -1.18 0.00 0.00 61.69 59.49 1g3i s THR 107 Cb -0.14 -3.36 0.28 0.00 1.34 0.00 0.00 72.50 70.62 1g3i s THR 107 CO 0.03 -0.25 2.01 1.23 -0.54 0.00 0.00 174.62 177.10 1g3i h GLY 108 N 1.85 0.00 2.00 3.99 0.00 -0.99 -1.34 103.07 108.59 1g3i h GLY 108 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1g3i h GLY 108 CO 0.62 0.00 0.00 0.16 0.00 0.00 0.00 176.54 177.32 1g3i h ILE 109 N 0.00 0.00 -0.05 2.60 3.07 -1.85 -3.17 117.51 118.11 1g3i h ILE 109 Ca -0.00 -0.54 0.00 0.00 1.55 0.00 0.00 64.86 65.87 1g3i h ILE 109 Cb 0.45 1.48 0.00 0.00 -0.27 0.00 0.00 36.82 38.48 1g3i h ILE 109 CO 0.02 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.73 1g3i n GLY 110 N 0.77 0.88 3.38 0.16 0.00 -0.50 -4.82 105.19 105.06 1g3i n GLY 110 Ca 0.04 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 1g3i n GLY 110 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1g3i s ASP 111 N -2.01 -0.44 0.21 1.61 3.84 -1.25 -4.75 116.67 113.88 1g3i s ASP 111 Ca 0.00 0.57 0.05 0.00 -0.00 0.00 0.00 52.55 53.18 1g3i s ASP 111 Cb 0.00 0.61 -0.03 0.00 -1.38 0.00 0.00 42.92 42.12 1g3i s ASP 111 CO 0.00 -0.41 0.23 0.68 -0.00 0.00 0.00 175.17 175.67 1g3i s VAL 112 N -0.78 4.79 -0.11 2.11 -7.23 -1.26 -2.24 120.40 115.68 1g3i s VAL 112 Ca -0.09 -1.10 -0.09 0.00 -1.81 0.00 0.00 61.98 58.89 1g3i s VAL 112 Cb -0.03 -3.54 0.03 0.00 0.56 0.00 0.00 36.38 33.40 1g3i s VAL 112 CO 0.05 -0.24 0.28 -0.69 -0.31 0.00 0.00 175.10 174.19 1g3i s VAL 113 N -1.93 -0.01 0.18 1.32 1.01 -0.69 -4.98 120.40 115.29 1g3i s VAL 113 Ca 0.33 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 1g3i s VAL 113 Cb -0.09 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1g3i s VAL 113 CO 0.26 0.02 0.38 -1.10 0.00 0.00 0.00 175.10 174.66 1g3i s GLN 114 N 0.48 3.55 1.14 2.72 -0.21 -1.26 -2.19 119.66 123.89 1g3i s GLN 114 Ca -0.03 -0.25 -0.15 0.00 0.02 0.00 0.00 55.36 54.94 1g3i s GLN 114 Cb -0.04 -2.85 0.26 0.00 1.00 0.00 0.00 33.01 31.38 1g3i s GLN 114 CO -0.02 0.43 1.06 -2.14 -2.12 0.00 0.00 175.29 172.50 1g3i s PRO 115 N -3.07 -0.74 0.00 2.91 0.02 -1.26 -5.01 135.00 127.84 1g3i s PRO 115 Ca 0.39 0.36 0.00 0.00 0.02 0.00 0.00 61.00 61.77 1g3i s PRO 115 Cb -0.11 -1.61 0.00 0.00 0.02 0.00 0.00 34.50 32.79 1g3i s PRO 115 CO 0.28 -3.48 0.00 0.39 -0.33 0.00 0.00 177.00 173.85 1g3i n GLU 116 N -4.68 0.32 -0.09 5.54 1.02 -1.26 -4.86 120.64 116.63 1g3i n GLU 116 Ca 0.07 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.40 1g3i n GLU 116 Cb 0.58 0.00 0.61 0.00 -0.02 0.00 0.00 31.44 32.60 1g3i n GLU 116 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1g3i h GLU 117 N 0.00 0.19 0.00 3.49 4.11 -1.98 -2.47 114.58 117.91 1g3i h GLU 117 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1g3i h GLU 117 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1g3i h GLU 117 CO 0.00 0.12 0.00 -0.40 0.07 0.00 0.00 179.01 178.80 1g3i n ASP 118 N -4.42 0.00 -3.38 3.06 5.68 -1.26 -4.94 116.55 111.29 1g3i n ASP 118 Ca 0.12 0.19 -0.19 0.00 -0.50 0.00 0.00 54.79 54.41 1g3i n ASP 118 Cb 0.59 -0.38 0.06 0.00 -1.14 0.00 0.00 41.12 40.26 1g3i n ASP 118 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1g3i n GLN 119 N -1.38 -2.52 -4.24 0.11 1.13 -0.93 -4.73 117.38 104.81 1g3i n GLN 119 Ca 0.09 0.77 -0.20 0.00 -1.94 0.00 0.00 57.00 55.72 1g3i n GLN 119 Cb 0.23 -5.44 -0.16 0.00 0.11 0.00 0.00 30.24 24.99 1g3i n GLN 119 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1g3i s ILE 120 N -3.42 0.60 0.05 5.09 1.01 -1.26 -3.09 121.20 120.18 1g3i s ILE 120 Ca 0.40 -0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.89 1g3i s ILE 120 Cb -0.08 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.79 1g3i s ILE 120 CO 0.77 0.22 -0.13 -0.76 0.00 0.00 0.00 174.94 175.04 1g3i s LEU 121 N 0.60 2.22 -0.16 2.97 1.43 -0.15 -4.60 118.68 120.99 1g3i s LEU 121 Ca -0.08 -0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 52.35 1g3i s LEU 121 Cb -0.12 -0.50 0.04 0.00 0.03 0.00 0.00 46.19 45.64 1g3i s LEU 121 CO 0.00 -0.04 0.43 0.00 0.23 0.00 0.00 176.35 176.97 1g3i s ALA 122 N -1.05 -1.05 0.08 4.21 0.00 -1.26 0.86 121.76 123.55 1g3i s ALA 122 Ca -0.01 1.20 -0.01 0.00 0.00 0.00 0.00 51.96 53.14 1g3i s ALA 122 Cb -0.09 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 1g3i s ALA 122 CO 0.01 -0.20 0.00 0.96 0.00 0.00 0.00 175.76 176.54 1g3i s ILE 123 N 0.22 0.18 0.00 0.00 -4.36 0.18 -4.85 121.20 112.57 1g3i s ILE 123 Ca -0.00 -1.85 0.00 0.00 -0.26 0.00 0.00 60.65 58.54 1g3i s ILE 123 Cb -0.03 -1.73 0.00 0.00 1.25 0.00 0.00 42.46 41.95 1g3i s ILE 123 CO 0.01 -0.78 0.00 0.61 0.24 0.00 0.00 174.94 175.01 1g3i n GLY 124 N 0.03 -1.01 0.17 6.27 0.00 -1.26 -0.51 105.19 108.88 1g3i n GLY 124 Ca -0.11 -2.23 -0.14 0.00 0.00 0.00 0.00 46.02 43.54 1g3i n GLY 124 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1g3i h SER 125 N 0.00 0.61 -0.46 1.61 4.64 -1.25 -3.11 113.55 115.59 1g3i h SER 125 Ca 0.00 -0.55 -0.16 0.00 -0.47 0.00 0.00 61.79 60.60 1g3i h SER 125 Cb 0.00 -0.17 -0.10 0.00 -0.31 0.00 0.00 62.40 61.82 1g3i h SER 125 CO 0.00 1.05 0.20 0.61 -0.87 0.00 0.00 176.83 177.82 1g3i n GLY 126 N 0.43 2.94 0.09 -0.77 0.00 -0.93 -4.59 105.19 102.36 1g3i n GLY 126 Ca -0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 46.02 45.34 1g3i n GLY 126 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1g3i h GLY 127 N 3.27 -0.24 -0.69 -0.02 0.00 -1.72 -2.44 103.07 101.24 1g3i h GLY 127 Ca 0.20 0.09 0.37 0.00 0.00 0.00 0.00 47.33 47.99 1g3i h GLY 127 CO 0.48 -0.09 0.85 3.43 0.00 0.00 0.00 176.54 181.21 1g3i h ASN 128 N -0.23 0.22 0.07 0.19 2.35 -1.84 0.78 115.58 117.12 1g3i h ASN 128 Ca -0.02 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1g3i h ASN 128 Cb 0.17 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1g3i h ASN 128 CO 0.04 -0.03 -0.03 1.88 -1.65 0.00 0.00 177.43 177.63 1g3i h TYR 129 N 0.15 -0.09 -0.99 1.19 0.99 -1.87 0.87 116.97 117.22 1g3i h TYR 129 Ca 0.69 -0.00 0.34 0.00 2.00 0.00 0.00 58.73 61.76 1g3i h TYR 129 Cb 2.27 0.03 -0.16 0.00 1.00 0.00 0.00 36.73 39.87 1g3i h TYR 129 CO -0.00 -0.05 0.50 0.00 -0.00 0.00 0.00 178.16 178.61 1g3i h ALA 130 N -1.94 1.92 0.13 3.88 0.00 -0.26 0.21 119.26 123.19 1g3i h ALA 130 Ca -0.01 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1g3i h ALA 130 Cb 0.07 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1g3i h ALA 130 CO 0.02 -0.68 -0.06 1.25 0.00 0.00 0.00 179.25 179.77 1g3i h LEU 131 N 0.20 -0.15 -0.81 0.00 5.85 0.83 0.90 115.31 122.12 1g3i h LEU 131 Ca 0.75 0.01 0.15 0.00 0.84 0.00 0.00 57.88 59.63 1g3i h LEU 131 Cb 1.78 0.04 -0.15 0.00 0.37 0.00 0.00 40.66 42.70 1g3i h LEU 131 CO -0.68 -0.10 -0.23 -1.20 -0.34 0.00 0.00 178.44 175.89 1g3i n SER 132 N -2.48 -0.35 0.15 1.25 7.64 0.30 0.35 113.62 120.49 1g3i n SER 132 Ca -0.02 1.40 -0.09 0.00 1.01 0.00 0.00 58.87 61.16 1g3i n SER 132 Cb 0.07 -0.40 -0.05 0.00 -1.01 0.00 0.00 64.21 62.82 1g3i n SER 132 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g3i h ALA 133 N 1.50 -0.97 -0.30 -0.43 0.00 -0.75 -2.10 119.26 116.22 1g3i h ALA 133 Ca 0.36 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1g3i h ALA 133 Cb 0.57 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 1g3i h ALA 133 CO -0.83 -0.98 -0.54 0.00 0.00 0.00 0.00 179.25 176.90 1g3i h ALA 134 N -1.36 -0.82 -0.91 0.00 0.00 0.25 -0.29 119.26 116.13 1g3i h ALA 134 Ca -0.03 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.03 1g3i h ALA 134 Cb 0.44 1.08 -0.17 0.00 0.00 0.00 0.00 17.79 19.14 1g3i h ALA 134 CO -0.02 -1.06 -0.26 0.00 0.00 0.00 0.00 179.25 177.91 1g3i h ARG 135 N -0.46 -0.01 -0.10 0.00 3.08 -0.37 0.41 114.38 116.92 1g3i h ARG 135 Ca 0.06 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.13 1g3i h ARG 135 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1g3i h ARG 135 CO -0.52 -0.01 -0.03 0.00 -1.07 0.00 0.00 179.97 178.34 1g3i h ALA 136 N 1.79 0.06 0.00 0.04 0.00 -0.38 0.04 119.26 120.80 1g3i h ALA 136 Ca 0.41 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.31 1g3i h ALA 136 Cb 0.65 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1g3i h ALA 136 CO -0.94 -0.49 -0.24 -0.07 0.00 0.00 0.00 179.25 177.51 1g3i h LEU 137 N -0.01 0.00 0.15 0.00 4.07 0.60 0.42 115.31 120.54 1g3i h LEU 137 Ca 0.05 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.77 1g3i h LEU 137 Cb 0.09 0.00 0.03 0.00 1.08 0.00 0.00 40.66 41.86 1g3i h LEU 137 CO -0.11 0.24 -1.05 0.58 -1.08 0.00 0.00 178.44 177.02 1g3i h VAL 138 N 0.00 1.40 -0.00 1.22 2.07 0.24 -3.11 116.25 118.06 1g3i h VAL 138 Ca -0.00 -2.51 -0.13 0.00 0.82 0.00 0.00 66.70 64.88 1g3i h VAL 138 Cb 0.52 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 1g3i h VAL 138 CO 0.03 0.73 -0.60 -0.33 0.02 0.00 0.00 177.57 177.43 1g3i h GLU 139 N -0.08 0.02 -0.44 1.57 5.08 -0.82 -3.34 114.58 116.56 1g3i h GLU 139 Ca -0.17 -0.01 -0.30 0.00 -1.00 0.00 0.00 59.36 57.88 1g3i h GLU 139 Cb 1.80 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.84 1g3i h GLU 139 CO 0.20 0.61 -0.40 0.09 -1.00 0.00 0.00 179.01 178.50 1g3i n ASN 140 N -3.83 3.50 -3.64 1.42 3.02 0.12 -5.03 115.26 110.83 1g3i n ASN 140 Ca -0.01 -3.81 -0.04 0.00 -0.03 0.00 0.00 54.58 50.69 1g3i n ASN 140 Cb 0.60 -0.52 -0.05 0.00 -0.61 0.00 0.00 39.78 39.19 1g3i n ASN 140 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1g3i s THR 141 N -3.85 0.00 -0.27 3.41 -1.32 -1.18 -4.94 115.64 107.49 1g3i s THR 141 Ca 0.46 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.93 1g3i s THR 141 Cb 0.41 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 70.56 1g3i s THR 141 CO -0.01 0.00 2.07 -0.62 -2.21 0.00 0.00 174.62 173.86 1g3i n GLU 142 N 1.04 1.72 -2.35 7.08 -0.58 -1.26 -4.65 120.64 121.63 1g3i n GLU 142 Ca -0.06 -1.36 -0.34 0.00 -0.42 0.00 0.00 57.16 54.98 1g3i n GLU 142 Cb 0.58 -1.55 -0.01 0.00 -0.57 0.00 0.00 31.44 29.88 1g3i n GLU 142 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1g3i s LEU 143 N -1.55 3.75 0.43 -4.62 1.43 -1.26 -5.01 118.68 111.85 1g3i s LEU 143 Ca 0.28 2.00 -0.26 0.00 -1.03 0.00 0.00 54.13 55.13 1g3i s LEU 143 Cb 0.21 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.79 1g3i s LEU 143 CO -0.01 -1.02 1.35 -0.55 0.23 0.00 0.00 176.35 176.34 1g3i s SER 144 N -2.04 6.11 0.10 2.29 0.15 -1.26 -4.86 113.70 114.20 1g3i s SER 144 Ca 0.69 2.75 -0.30 0.00 0.70 0.00 0.00 55.95 59.78 1g3i s SER 144 Cb -0.19 -2.64 -0.11 0.00 -1.71 0.00 0.00 66.02 61.36 1g3i s SER 144 CO 0.25 -1.00 1.61 0.00 1.20 0.00 0.00 173.24 175.31 1g3i h ALA 145 N 2.49 -0.67 -0.69 5.45 0.00 -1.94 -0.23 119.26 123.67 1g3i h ALA 145 Ca -0.50 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 54.45 1g3i h ALA 145 Cb 1.25 0.52 -0.10 0.00 0.00 0.00 0.00 17.79 19.47 1g3i h ALA 145 CO 0.62 -0.92 0.19 1.25 0.00 0.00 0.00 179.25 180.38 1g3i h HIS 146 N -0.65 0.31 -0.41 0.00 -0.00 -1.91 -1.45 115.15 111.04 1g3i h HIS 146 Ca -0.00 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.41 1g3i h HIS 146 Cb 0.62 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.98 1g3i h HIS 146 CO -0.24 -0.02 0.26 0.93 -0.00 0.00 0.00 177.93 178.86 1g3i h GLU 147 N 0.31 0.52 -0.54 5.26 5.08 -1.74 -1.92 114.58 121.55 1g3i h GLU 147 Ca 0.37 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.79 1g3i h GLU 147 Cb 0.59 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 1g3i h GLU 147 CO -0.44 0.35 0.16 0.82 -1.00 0.00 0.00 179.01 178.90 1g3i h ILE 148 N 0.54 0.76 -0.11 3.13 2.04 0.02 -0.04 117.51 123.84 1g3i h ILE 148 Ca 0.15 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.95 1g3i h ILE 148 Cb -0.05 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.38 1g3i h ILE 148 CO -0.04 0.06 -0.25 0.58 0.00 0.00 0.00 178.15 178.50 1g3i h VAL 149 N 0.32 0.40 -0.16 1.67 2.07 -1.07 -0.56 116.25 118.92 1g3i h VAL 149 Ca 0.27 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.84 1g3i h VAL 149 Cb 0.33 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 1g3i h VAL 149 CO -0.30 0.00 -0.39 -0.08 0.02 0.00 0.00 177.57 176.82 1g3i h GLU 150 N -0.33 -0.43 -0.75 1.57 4.22 -0.49 0.07 114.58 118.44 1g3i h GLU 150 Ca 0.10 0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.55 1g3i h GLU 150 Cb 0.47 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1g3i h GLU 150 CO -0.30 -0.29 0.42 0.87 -2.18 0.00 0.00 179.01 177.53 1g3i h LYS 151 N -0.44 1.03 -0.34 1.92 1.57 -0.73 -2.89 116.57 116.69 1g3i h LYS 151 Ca 0.09 -0.11 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 1g3i h LYS 151 Cb 0.60 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1g3i h LYS 151 CO -0.40 0.75 -0.40 0.77 -0.57 0.00 0.00 179.45 179.60 1g3i h SER 152 N 1.02 0.95 -0.28 0.86 0.02 -0.88 -2.07 113.55 113.17 1g3i h SER 152 Ca 0.26 -0.48 0.05 0.00 -0.84 0.00 0.00 61.79 60.78 1g3i h SER 152 Cb 0.01 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.24 1g3i h SER 152 CO -0.05 1.24 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.81 1g3i h LEU 153 N 0.68 -0.14 0.20 5.07 3.38 -0.90 -1.05 115.31 122.55 1g3i h LEU 153 Ca 0.05 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1g3i h LEU 153 Cb 1.00 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1g3i h LEU 153 CO 0.10 -0.03 -0.15 -0.09 0.09 0.00 0.00 178.44 178.35 1g3i h ARG 154 N 0.07 -0.33 -0.76 1.13 2.43 -1.41 0.41 114.38 115.92 1g3i h ARG 154 Ca 0.14 0.02 0.22 0.00 -0.81 0.00 0.00 59.98 59.55 1g3i h ARG 154 Cb 0.18 0.07 -0.14 0.00 -0.42 0.00 0.00 29.97 29.67 1g3i h ARG 154 CO -0.24 -0.22 0.06 -0.89 -1.51 0.00 0.00 179.97 177.17 1g3i n ILE 155 N -3.21 -0.32 0.13 1.20 5.41 -0.79 0.55 119.36 122.32 1g3i n ILE 155 Ca -0.04 1.66 -0.13 0.00 1.00 0.00 0.00 62.75 65.25 1g3i n ILE 155 Cb 0.15 -2.46 -0.08 0.00 -0.71 0.00 0.00 39.64 36.54 1g3i n ILE 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1g3i h ALA 156 N 1.53 -0.35 -0.69 -1.39 0.00 -0.51 -2.70 119.26 115.14 1g3i h ALA 156 Ca 0.48 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 55.40 1g3i h ALA 156 Cb 1.04 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1g3i h ALA 156 CO -0.70 -0.50 0.51 0.78 0.00 0.00 0.00 179.25 179.34 1g3i h GLY 157 N -0.74 0.00 2.00 0.00 0.00 0.46 0.69 103.07 105.48 1g3i h GLY 157 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1g3i h GLY 157 CO 0.06 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 176.05 1g3i h ASP 158 N 0.00 0.00 0.00 0.19 3.45 -0.49 -3.24 116.42 116.33 1g3i h ASP 158 Ca 0.33 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.64 1g3i h ASP 158 Cb 1.35 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 40.09 1g3i h ASP 158 CO -0.00 0.00 -2.00 -0.38 -1.57 0.00 0.00 179.24 175.29 1g3i n ILE 159 N -2.95 0.56 -3.71 0.35 5.41 0.20 -4.95 119.36 114.27 1g3i n ILE 159 Ca 0.03 -0.56 -0.36 0.00 1.00 0.00 0.00 62.75 62.86 1g3i n ILE 159 Cb 0.43 -0.22 -0.07 0.00 -0.71 0.00 0.00 39.64 39.07 1g3i n ILE 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1g3i h VAL 161 N 4.47 0.00 -0.57 0.00 -1.51 -1.90 -2.97 116.25 113.78 1g3i h VAL 161 Ca -0.45 -0.66 -0.03 0.00 -1.23 0.00 0.00 66.70 64.33 1g3i h VAL 161 Cb 1.17 1.64 -0.02 0.00 -2.13 0.00 0.00 31.29 31.95 1g3i h VAL 161 CO 0.71 0.00 0.04 0.49 -1.23 0.00 0.00 177.57 177.58 1g3i n PHE 162 N -2.96 2.02 -3.90 5.19 3.72 -1.26 -4.89 117.46 115.38 1g3i n PHE 162 Ca 0.02 -0.82 -0.14 0.00 -0.05 0.00 0.00 57.45 56.46 1g3i n PHE 162 Cb 0.39 -0.52 -0.15 0.00 -0.94 0.00 0.00 39.48 38.26 1g3i n PHE 162 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1g3i s THR 163 N -2.82 0.08 0.22 4.37 2.01 -1.12 -2.61 115.64 115.77 1g3i s THR 163 Ca 0.54 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.60 1g3i s THR 163 Cb 0.41 -0.13 0.03 0.00 0.01 0.00 0.00 72.50 72.82 1g3i s THR 163 CO 0.15 0.07 0.21 -0.46 -0.69 0.00 0.00 174.62 173.90 1g3i n ASN 164 N 3.52 1.43 -0.70 3.53 2.04 -1.26 -4.65 115.26 119.17 1g3i n ASN 164 Ca -0.19 -1.72 0.09 0.00 -0.44 0.00 0.00 54.58 52.33 1g3i n ASN 164 Cb 0.55 -0.06 0.07 0.00 -2.53 0.00 0.00 39.78 37.81 1g3i n ASN 164 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 1g3i n THR 165 N -1.17 0.00 -2.57 5.53 -2.24 -1.26 -4.64 114.28 107.93 1g3i n THR 165 Ca 0.01 -0.47 -0.42 0.00 -2.27 0.00 0.00 64.05 60.90 1g3i n THR 165 Cb 0.25 1.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.82 1g3i n THR 165 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1g3i s ASN 166 N -1.67 6.40 0.49 3.42 3.84 -1.26 -4.98 114.94 121.19 1g3i s ASN 166 Ca 0.21 0.06 0.07 0.00 0.21 0.00 0.00 52.86 53.41 1g3i s ASN 166 Cb 0.16 -2.55 0.04 0.00 -0.55 0.00 0.00 41.25 38.34 1g3i s ASN 166 CO 0.27 -1.53 0.67 -0.36 -2.79 0.00 0.00 177.10 173.36 1g3i s PHE 167 N 5.10 2.38 -0.18 0.43 2.99 -1.26 -2.07 117.98 125.37 1g3i s PHE 167 Ca 0.43 -0.43 -0.04 0.00 0.00 0.00 0.00 56.93 56.88 1g3i s PHE 167 Cb -0.08 -2.41 0.09 0.00 0.00 0.00 0.00 43.02 40.62 1g3i s PHE 167 CO 0.24 -0.73 0.28 0.99 -0.00 0.00 0.00 175.22 175.99 1g3i s THR 168 N -2.52 -0.43 -0.06 0.64 2.01 -0.91 -4.95 115.64 109.42 1g3i s THR 168 Ca 0.58 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.69 1g3i s THR 168 Cb -0.09 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.82 1g3i s THR 168 CO 0.36 -0.04 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.45 1g3i s ILE 169 N 2.42 1.43 -0.08 1.82 1.01 -1.26 -2.62 121.20 123.92 1g3i s ILE 169 Ca 0.05 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1g3i s ILE 169 Cb -0.14 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.09 1g3i s ILE 169 CO -0.11 0.42 -0.15 -1.61 0.00 0.00 0.00 174.94 173.49 1g3i s GLU 170 N 0.23 1.99 0.29 2.79 0.41 -0.88 -5.02 118.70 118.50 1g3i s GLU 170 Ca -0.08 -0.51 0.11 0.00 -0.41 0.00 0.00 54.97 54.07 1g3i s GLU 170 Cb -0.13 -1.62 -0.05 0.00 -1.78 0.00 0.00 34.13 30.55 1g3i s GLU 170 CO 0.03 0.04 -0.09 -1.83 -0.49 0.00 0.00 175.26 172.92 1g3i s GLU 171 N 0.66 1.98 -0.48 1.61 -1.05 -1.26 -0.91 118.70 119.25 1g3i s GLU 171 Ca -0.14 -1.64 -0.05 0.00 -0.15 0.00 0.00 54.97 52.99 1g3i s GLU 171 Cb -0.16 -1.94 0.13 0.00 -0.44 0.00 0.00 34.13 31.71 1g3i s GLU 171 CO 0.04 0.31 0.30 -0.51 0.95 0.00 0.00 175.26 176.35 1g3i s LEU 172 N -3.61 5.42 0.00 1.83 1.43 0.14 -4.98 118.68 118.91 1g3i s LEU 172 Ca 0.31 -2.17 0.00 0.00 -1.03 0.00 0.00 54.13 51.24 1g3i s LEU 172 Cb -0.05 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1g3i s LEU 172 CO 0.18 -0.55 0.42 -0.81 0.23 0.00 0.00 176.35 175.81