#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 -0.36 -0.24 12.58 2.01 -1.26 -1.64 115.64 126.74 1g3i s THR 2 Ca 0.00 -0.33 -0.03 0.00 0.31 0.00 0.00 61.69 61.63 1g3i s THR 2 Cb 0.00 -0.85 0.01 0.00 0.01 0.00 0.00 72.50 71.66 1g3i s THR 2 CO 0.00 -0.36 -0.04 -0.63 -0.69 0.00 0.00 174.62 172.90 1g3i s ILE 3 N 2.34 3.22 0.07 1.82 -1.09 -0.19 -3.08 121.20 124.29 1g3i s ILE 3 Ca 0.09 -0.70 0.06 0.00 -2.23 0.00 0.00 60.65 57.87 1g3i s ILE 3 Cb -0.15 -2.54 -0.03 0.00 -1.58 0.00 0.00 42.46 38.16 1g3i s ILE 3 CO -0.24 0.32 -0.17 0.54 -1.23 0.00 0.00 174.94 174.16 1g3i s VAL 4 N 1.42 1.36 -0.03 2.92 0.11 -0.08 -0.26 120.40 125.84 1g3i s VAL 4 Ca 0.04 -1.30 -0.01 0.00 -2.93 0.00 0.00 61.98 57.78 1g3i s VAL 4 Cb -0.15 -1.25 0.03 0.00 -1.53 0.00 0.00 36.38 33.48 1g3i s VAL 4 CO -0.03 -0.07 0.03 -0.55 -3.33 0.00 0.00 175.10 171.15 1g3i s SER 5 N -1.59 0.59 -0.01 3.54 0.15 0.57 -1.22 113.70 115.74 1g3i s SER 5 Ca 0.02 0.03 0.08 0.00 0.70 0.00 0.00 55.95 56.79 1g3i s SER 5 Cb -0.09 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.05 1g3i s SER 5 CO 0.03 -0.17 -0.25 -0.69 1.20 0.00 0.00 173.24 173.35 1g3i s VAL 6 N 1.49 2.13 -0.22 4.45 1.01 -1.10 0.03 120.40 128.19 1g3i s VAL 6 Ca -0.04 -1.16 0.01 0.00 0.00 0.00 0.00 61.98 60.80 1g3i s VAL 6 Cb -0.13 -1.76 0.05 0.00 0.00 0.00 0.00 36.38 34.55 1g3i s VAL 6 CO -0.03 0.53 -0.08 -0.60 0.00 0.00 0.00 175.10 174.92 1g3i s ARG 7 N -0.77 1.85 -0.21 2.72 3.52 -1.26 -2.32 118.95 122.48 1g3i s ARG 7 Ca 0.11 -0.96 -0.12 0.00 -0.13 0.00 0.00 55.73 54.63 1g3i s ARG 7 Cb -0.10 -2.54 0.07 0.00 -1.56 0.00 0.00 34.95 30.82 1g3i s ARG 7 CO -0.00 -0.52 0.52 1.03 -0.81 0.00 0.00 175.30 175.51 1g3i s ARG 8 N 1.37 0.51 -0.44 5.12 1.81 -0.71 -4.95 118.95 121.67 1g3i s ARG 8 Ca -0.04 0.97 -0.01 0.00 -1.72 0.00 0.00 55.73 54.93 1g3i s ARG 8 Cb -0.18 0.05 -0.01 0.00 -0.45 0.00 0.00 34.95 34.36 1g3i s ARG 8 CO -0.07 -0.16 0.37 0.09 -0.68 0.00 0.00 175.30 174.86 1g3i n ASN 9 N 4.31 -2.62 -0.47 0.23 4.13 -1.26 -3.14 115.26 116.45 1g3i n ASN 9 Ca -0.22 -0.25 -0.05 0.00 1.68 0.00 0.00 54.58 55.75 1g3i n ASN 9 Cb 0.56 -2.28 -0.02 0.00 -1.54 0.00 0.00 39.78 36.50 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 -1.17 0.46 3.56 7.41 0.00 -1.26 -4.91 105.19 109.28 1g3i n GLY 10 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 3.23 -0.11 1.61 -1.52 -1.19 -4.78 119.66 114.91 1g3i s GLN 11 Ca 0.00 -0.51 0.00 0.00 -1.95 0.00 0.00 55.36 52.91 1g3i s GLN 11 Cb 0.00 -2.78 0.02 0.00 -0.22 0.00 0.00 33.01 30.03 1g3i s GLN 11 CO 0.00 0.47 -0.10 0.08 -0.25 0.00 0.00 175.29 175.49 1g3i s VAL 12 N -0.27 1.16 0.10 1.09 1.01 -1.23 -1.74 120.40 120.53 1g3i s VAL 12 Ca 0.05 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.69 1g3i s VAL 12 Cb -0.13 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1g3i s VAL 12 CO 0.02 0.38 -0.18 -0.69 0.00 0.00 0.00 175.10 174.63 1g3i s VAL 13 N 1.37 1.53 -0.19 2.92 1.01 -0.98 -1.22 120.40 124.85 1g3i s VAL 13 Ca -0.01 -1.54 -0.04 0.00 0.00 0.00 0.00 61.98 60.39 1g3i s VAL 13 Cb -0.14 -1.46 0.08 0.00 0.00 0.00 0.00 36.38 34.86 1g3i s VAL 13 CO -0.05 -0.16 0.16 -0.69 0.00 0.00 0.00 175.10 174.36 1g3i s VAL 14 N -1.38 -0.21 0.27 2.92 1.01 -0.13 -2.70 120.40 120.17 1g3i s VAL 14 Ca 0.05 -0.16 0.10 0.00 0.00 0.00 0.00 61.98 61.98 1g3i s VAL 14 Cb -0.09 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 1g3i s VAL 14 CO 0.04 -0.26 -0.07 -0.83 0.00 0.00 0.00 175.10 173.98 1g3i s GLY 15 N 2.24 1.73 -0.01 4.51 0.00 -0.36 -2.46 107.32 112.96 1g3i s GLY 15 Ca 0.05 -1.73 -0.29 0.00 0.00 0.00 0.00 44.72 42.76 1g3i s GLY 15 CO -0.12 -1.80 0.75 -0.32 0.00 0.00 0.00 173.10 171.62 1g3i s GLY 16 N -3.62 -0.51 0.00 0.20 0.00 -1.20 -0.90 107.32 101.28 1g3i s GLY 16 Ca 0.31 1.21 0.00 0.00 0.00 0.00 0.00 44.72 46.24 1g3i s GLY 16 CO 0.18 0.68 0.00 2.09 0.00 0.00 0.00 173.10 176.06 1g3i n ASP 17 N 0.39 0.00 -2.06 1.64 5.75 -1.18 -1.60 116.55 119.49 1g3i n ASP 17 Ca -0.15 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.59 1g3i n ASP 17 Cb 0.60 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.75 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 2.44 1.36 3.34 6.12 0.00 -0.93 -4.14 105.19 113.37 1g3i n GLY 18 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 0.08 2.79 -0.71 1.61 0.74 -1.26 0.30 119.66 123.21 1g3i s GLN 19 Ca 0.06 -1.34 -0.24 0.00 0.05 0.00 0.00 55.36 53.89 1g3i s GLN 19 Cb 0.28 -3.91 0.06 0.00 1.10 0.00 0.00 33.01 30.55 1g3i s GLN 19 CO -0.08 -0.93 1.09 0.08 -0.55 0.00 0.00 175.29 174.89 1g3i s VAL 20 N 1.53 4.14 -0.06 1.34 1.01 0.20 -4.60 120.40 123.97 1g3i s VAL 20 Ca 0.03 -0.18 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 1g3i s VAL 20 Cb -0.23 -4.77 -0.05 0.00 0.00 0.00 0.00 36.38 31.33 1g3i s VAL 20 CO 0.05 -1.60 0.42 -0.44 0.00 0.00 0.00 175.10 173.52 1g3i s SER 21 N 3.74 6.73 -0.28 3.32 0.01 -1.26 -1.45 113.70 124.50 1g3i s SER 21 Ca 0.27 0.86 0.01 0.00 1.31 0.00 0.00 55.95 58.40 1g3i s SER 21 Cb -0.13 -2.26 0.08 0.00 0.21 0.00 0.00 66.02 63.93 1g3i s SER 21 CO 0.10 0.19 0.02 -0.22 0.41 0.00 0.00 173.24 173.75 1g3i s LEU 22 N -0.32 2.96 0.00 2.44 2.96 -0.77 -4.92 118.68 121.03 1g3i s LEU 22 Ca 0.24 -1.55 0.00 0.00 -0.22 0.00 0.00 54.13 52.59 1g3i s LEU 22 Cb -0.16 -1.17 0.00 0.00 0.50 0.00 0.00 46.19 45.37 1g3i s LEU 22 CO 0.11 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 1g3i n GLY 23 N 4.64 2.06 0.03 7.98 0.00 -1.26 -1.95 105.19 116.69 1g3i n GLY 23 Ca -0.05 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.81 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 9.93 1.78 -4.95 1.61 3.02 -1.26 -5.04 115.26 120.34 1g3i n ASN 24 Ca 0.00 -2.09 -0.24 0.00 -0.03 0.00 0.00 54.58 52.22 1g3i n ASN 24 Cb 0.00 -0.09 0.02 0.00 -0.61 0.00 0.00 39.78 39.10 1g3i n ASN 24 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1g3i s THR 25 N -1.21 1.76 -0.22 3.41 -4.23 -0.82 -5.12 115.64 109.21 1g3i s THR 25 Ca 0.06 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1g3i s THR 25 Cb 0.05 -2.09 0.06 0.00 1.34 0.00 0.00 72.50 71.86 1g3i s THR 25 CO 0.01 0.00 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.34 1g3i s VAL 26 N -2.75 1.40 0.14 2.29 1.01 -1.26 -1.85 120.40 119.37 1g3i s VAL 26 Ca 0.43 -1.06 0.11 0.00 0.00 0.00 0.00 61.98 61.46 1g3i s VAL 26 Cb -0.03 -1.65 -0.07 0.00 0.00 0.00 0.00 36.38 34.62 1g3i s VAL 26 CO 0.27 -0.05 1.46 -0.03 0.00 0.00 0.00 175.10 176.76 1g3i h MET 27 N 8.00 0.00 -1.49 2.72 -1.53 -1.60 -3.46 114.93 117.56 1g3i h MET 27 Ca -0.20 0.00 0.09 0.00 -3.44 0.00 0.00 59.70 56.16 1g3i h MET 27 Cb 1.08 0.00 -0.28 0.00 -0.55 0.00 0.00 31.60 31.86 1g3i h MET 27 CO 0.41 0.73 0.52 0.21 0.14 0.00 0.00 176.91 178.92 1g3i s LYS 28 N -3.14 0.40 -0.33 0.39 2.20 -1.20 -5.01 119.74 113.04 1g3i s LYS 28 Ca 0.01 0.51 0.06 0.00 -0.36 0.00 0.00 55.97 56.19 1g3i s LYS 28 Cb 0.11 0.17 0.45 0.00 -1.51 0.00 0.00 37.83 37.05 1g3i s LYS 28 CO 0.78 -0.05 1.17 0.41 -0.36 0.00 0.00 175.35 177.29 1g3i n GLY 29 N 2.41 6.30 0.00 5.54 0.00 -1.25 0.61 105.19 118.80 1g3i n GLY 29 Ca -0.13 -2.70 0.00 0.00 0.00 0.00 0.00 46.02 43.19 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 -0.65 0.00 -4.32 1.61 0.23 0.15 -4.67 115.26 107.61 1g3i n ASN 30 Ca 0.43 -0.92 -0.36 0.00 -0.53 0.00 0.00 54.58 53.20 1g3i n ASN 30 Cb 0.89 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.66 1g3i n ASN 30 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1g3i n ALA 31 N 0.00 -2.88 -2.54 -2.53 0.00 -1.07 -4.88 120.51 106.62 1g3i n ALA 31 Ca 0.00 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.61 1g3i n ALA 31 Cb 0.23 -1.63 -0.09 0.00 0.00 0.00 0.00 19.45 17.95 1g3i n ALA 31 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1g3i s ARG 32 N -2.65 3.51 0.00 0.00 0.52 -1.26 -4.28 118.95 114.79 1g3i s ARG 32 Ca 0.56 -0.49 0.23 0.00 -0.52 0.00 0.00 55.73 55.52 1g3i s ARG 32 Cb -0.29 -3.82 0.18 0.00 0.52 0.00 0.00 34.95 31.54 1g3i s ARG 32 CO 0.67 -0.54 1.20 1.63 0.02 0.00 0.00 175.30 178.28 1g3i n LYS 33 N 5.35 0.90 -3.96 3.54 5.02 -1.26 -4.80 118.16 122.96 1g3i n LYS 33 Ca -0.10 -0.69 -0.29 0.00 -2.02 0.00 0.00 58.31 55.21 1g3i n LYS 33 Cb 0.49 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.85 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 -2.58 1.40 0.43 -0.18 1.01 -1.26 -1.70 120.40 117.52 1g3i s VAL 34 Ca 0.18 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.50 1g3i s VAL 34 Cb 0.18 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 1g3i s VAL 34 CO 0.60 0.25 0.17 -0.13 0.00 0.00 0.00 175.10 175.99 1g3i s ARG 35 N 1.52 2.20 -0.12 2.72 1.81 0.71 -4.93 118.95 122.87 1g3i s ARG 35 Ca 0.01 -1.92 -0.02 0.00 -1.72 0.00 0.00 55.73 52.08 1g3i s ARG 35 Cb -0.15 -1.93 -0.03 0.00 -0.45 0.00 0.00 34.95 32.40 1g3i s ARG 35 CO -0.09 -0.16 -0.03 1.03 -0.68 0.00 0.00 175.30 175.37 1g3i s ARG 36 N -3.91 3.27 0.13 3.54 0.52 -1.26 -1.66 118.95 119.58 1g3i s ARG 36 Ca 0.38 -0.49 0.10 0.00 -0.52 0.00 0.00 55.73 55.19 1g3i s ARG 36 Cb 0.04 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 1g3i s ARG 36 CO 0.21 0.47 -0.24 -0.51 0.02 0.00 0.00 175.30 175.24 1g3i s LEU 37 N -0.25 2.33 -0.76 2.53 1.43 -0.13 -4.79 118.68 119.05 1g3i s LEU 37 Ca 0.05 -0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 52.37 1g3i s LEU 37 Cb -0.13 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 1g3i s LEU 37 CO 0.02 0.12 0.65 0.00 0.23 0.00 0.00 176.35 177.38 1g3i n TYR 38 N 0.88 -1.66 -0.60 0.29 4.19 -1.26 -1.97 117.16 117.03 1g3i n TYR 38 Ca -0.18 0.61 0.00 0.00 3.31 0.00 0.00 57.90 61.64 1g3i n TYR 38 Cb 0.54 -3.77 0.00 0.00 0.49 0.00 0.00 39.34 36.59 1g3i n TYR 38 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1g3i n ASN 39 N -2.64 -3.27 0.00 2.98 3.02 -1.26 -1.69 115.26 112.39 1g3i n ASN 39 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 1g3i n ASN 39 Cb 0.59 -2.32 0.00 0.00 -0.61 0.00 0.00 39.78 37.44 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 0.39 1.95 0.10 7.41 0.00 -1.15 -5.04 105.19 108.86 1g3i n GLY 40 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1g3i n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g3i n LYS 41 N -0.37 0.68 -4.42 1.61 4.01 -0.68 -4.98 118.16 114.01 1g3i n LYS 41 Ca 0.00 0.07 -0.22 0.00 -0.51 0.00 0.00 58.31 57.65 1g3i n LYS 41 Cb 0.00 -1.57 -0.13 0.00 -0.51 0.00 0.00 35.03 32.82 1g3i n LYS 41 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1g3i s VAL 42 N -2.51 1.33 -0.12 -0.18 -7.23 -0.83 -4.29 120.40 106.56 1g3i s VAL 42 Ca -0.13 -1.12 -0.06 0.00 -1.81 0.00 0.00 61.98 58.85 1g3i s VAL 42 Cb 0.07 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.78 1g3i s VAL 42 CO 0.80 0.04 0.11 -0.76 -0.31 0.00 0.00 175.10 174.98 1g3i s LEU 43 N -1.25 4.23 -0.03 1.32 1.43 0.10 -0.95 118.68 123.53 1g3i s LEU 43 Ca 0.03 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1g3i s LEU 43 Cb -0.08 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.14 1g3i s LEU 43 CO 0.02 0.39 0.01 0.00 0.23 0.00 0.00 176.35 177.00 1g3i s ALA 44 N -0.93 0.28 -0.11 4.21 0.00 -0.66 -1.21 121.76 123.34 1g3i s ALA 44 Ca 0.14 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.30 1g3i s ALA 44 Cb -0.12 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.67 1g3i s ALA 44 CO 0.03 -0.13 -0.15 0.20 0.00 0.00 0.00 175.76 175.71 1g3i s GLY 45 N 1.16 1.03 0.17 0.00 0.00 0.26 -0.21 107.32 109.74 1g3i s GLY 45 Ca -0.08 -0.73 0.07 0.00 0.00 0.00 0.00 44.72 43.98 1g3i s GLY 45 CO -0.02 0.24 0.02 -0.11 0.00 0.00 0.00 173.10 173.23 1g3i s PHE 46 N 1.00 2.90 -0.22 1.90 -0.71 -0.69 -0.38 117.98 121.77 1g3i s PHE 46 Ca -0.06 -0.11 -0.08 0.00 -1.04 0.00 0.00 56.93 55.63 1g3i s PHE 46 Cb -0.15 -1.40 0.10 0.00 -1.21 0.00 0.00 43.02 40.36 1g3i s PHE 46 CO -0.02 0.52 0.47 0.00 -1.34 0.00 0.00 175.22 174.85 1g3i s ALA 47 N -1.73 -1.36 0.00 1.99 0.00 -0.73 -4.88 121.76 115.05 1g3i s ALA 47 Ca 0.28 1.70 0.00 0.00 0.00 0.00 0.00 51.96 53.94 1g3i s ALA 47 Cb -0.09 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1g3i s ALA 47 CO 0.19 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1g3i n GLY 48 N 5.34 -0.30 3.63 0.00 0.00 -1.26 -0.63 105.19 111.97 1g3i n GLY 48 Ca -0.10 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 1.50 0.00 -0.02 0.00 -0.17 -4.84 107.32 103.79 1g3i s GLY 49 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.67 1g3i s GLY 49 CO 0.00 2.35 0.00 -1.30 0.00 0.00 0.00 173.10 174.15 1g3i n THR 50 N 6.01 0.00 0.00 0.90 -2.24 -1.26 0.66 114.28 118.35 1g3i n THR 50 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1g3i n THR 50 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 -3.39 -0.25 0.08 6.98 0.00 -1.26 -3.09 120.51 119.58 1g3i n ALA 51 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1g3i n ALA 51 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 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 -1.51 0.16 0.15 0.00 9.92 0.70 -0.39 116.55 125.59 1g3i n ASP 52 Ca 0.00 0.41 -0.11 0.00 -0.53 0.00 0.00 54.79 54.56 1g3i n ASP 52 Cb 0.00 -0.37 -0.06 0.00 -0.64 0.00 0.00 41.12 40.04 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 1.11 -0.44 -0.16 2.24 0.00 0.29 -3.17 119.26 119.13 1g3i h ALA 53 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1g3i h ALA 53 Cb 0.56 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1g3i h ALA 53 CO 0.00 -0.47 0.00 0.74 0.00 0.00 0.00 179.25 179.52 1g3i h PHE 54 N -0.99 0.31 -0.22 0.00 0.05 -0.65 -1.02 116.94 114.42 1g3i h PHE 54 Ca -0.04 -0.05 0.06 0.00 3.82 0.00 0.00 57.97 61.76 1g3i h PHE 54 Cb 0.50 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 38.36 1g3i h PHE 54 CO 0.03 0.49 0.54 1.79 -0.18 0.00 0.00 178.31 180.99 1g3i h THR 55 N 0.03 0.11 0.00 -1.55 1.35 -1.35 0.80 112.91 112.31 1g3i h THR 55 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 1g3i h THR 55 Cb 0.37 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.29 1g3i h THR 55 CO 0.01 0.00 -1.83 -0.11 -0.25 0.00 0.00 175.52 173.34 1g3i n LEU 56 N -3.11 0.01 -0.05 3.87 0.00 -1.02 -3.47 117.00 113.24 1g3i n LEU 56 Ca 0.03 -0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.90 1g3i n LEU 56 Cb 0.65 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.94 1g3i n LEU 56 CO 0.17 0.00 0.41 0.15 0.00 0.00 0.00 177.39 178.11 1g3i h PHE 57 N 0.00 0.08 0.00 1.96 3.57 0.17 -2.99 116.94 119.73 1g3i h PHE 57 Ca 0.00 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1g3i h PHE 57 Cb 0.84 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.57 1g3i h PHE 57 CO 0.00 0.93 0.00 0.93 -2.23 0.00 0.00 178.31 177.94 1g3i h GLU 58 N -0.78 0.00 0.00 1.11 4.39 -0.37 -2.46 114.58 116.47 1g3i h GLU 58 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1g3i h GLU 58 Cb 0.97 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 1g3i h GLU 58 CO 0.02 0.00 -0.07 1.25 -1.16 0.00 0.00 179.01 179.04 1g3i h LEU 59 N 0.00 0.00 0.00 1.33 5.85 -1.58 -3.09 115.31 117.82 1g3i h LEU 59 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1g3i h LEU 59 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1g3i h LEU 59 CO 0.00 0.00 -1.31 0.33 -0.34 0.00 0.00 178.44 177.13 1g3i n PHE 60 N -2.73 0.15 -0.03 1.25 7.35 -0.96 -3.86 117.46 118.64 1g3i n PHE 60 Ca 0.04 0.04 -0.16 0.00 -0.76 0.00 0.00 57.45 56.62 1g3i n PHE 60 Cb 0.49 -0.37 -0.09 0.00 0.35 0.00 0.00 39.48 39.86 1g3i n PHE 60 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1g3i h GLU 61 N 0.00 0.50 0.30 -4.13 4.81 -1.41 -2.86 114.58 111.79 1g3i h GLU 61 Ca 0.00 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 1g3i h GLU 61 Cb 0.77 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 1g3i h GLU 61 CO 0.00 1.04 -0.39 0.00 -0.73 0.00 0.00 179.01 178.93 1g3i h ARG 62 N 0.09 -0.68 0.00 1.92 3.08 -1.68 0.82 114.38 117.92 1g3i h ARG 62 Ca -0.03 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1g3i h ARG 62 Cb 1.14 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1g3i h ARG 62 CO 0.10 -0.46 0.15 1.63 -1.07 0.00 0.00 179.97 180.33 1g3i n LYS 63 N -4.74 0.00 -0.11 0.04 4.01 -1.23 -0.77 118.16 115.36 1g3i n LYS 63 Ca -0.08 0.31 -0.20 0.00 -0.51 0.00 0.00 58.31 57.83 1g3i n LYS 63 Cb 0.34 -1.65 -0.08 0.00 -0.51 0.00 0.00 35.03 33.13 1g3i n LYS 63 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1g3i n LEU 64 N -1.30 1.90 0.23 -0.35 4.77 0.12 -3.77 117.00 118.59 1g3i n LEU 64 Ca 0.00 0.42 0.07 0.00 -0.03 0.00 0.00 56.01 56.47 1g3i n LEU 64 Cb 0.15 -0.87 0.60 0.00 -2.33 0.00 0.00 43.42 40.97 1g3i n LEU 64 CO 0.00 0.19 1.06 -0.33 -1.33 0.00 0.00 177.39 176.98 1g3i h GLU 65 N -1.00 0.06 -0.08 3.23 5.08 -0.14 0.85 114.58 122.58 1g3i h GLU 65 Ca -0.37 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1g3i h GLU 65 Cb 1.25 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1g3i h GLU 65 CO -0.22 0.06 0.00 0.00 -1.00 0.00 0.00 179.01 177.85 1g3i n MET 66 N -4.51 1.25 -2.44 2.33 0.00 0.05 -3.96 117.12 109.84 1g3i n MET 66 Ca -0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 57.70 57.29 1g3i n MET 66 Cb 0.10 -1.22 0.05 0.00 0.00 0.00 0.00 33.22 32.15 1g3i n MET 66 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1g3i n HIS 67 N -0.31 0.23 -3.02 3.17 8.25 0.25 -5.01 115.22 118.78 1g3i n HIS 67 Ca 0.10 -1.65 -0.16 0.00 -0.26 0.00 0.00 57.72 55.75 1g3i n HIS 67 Cb 0.13 0.22 -0.01 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.58 -2.73 -2.13 -0.41 6.02 -1.13 -1.01 117.38 115.42 1g3i n GLN 68 Ca -0.01 0.34 -0.13 0.00 -0.01 0.00 0.00 57.00 57.19 1g3i n GLN 68 Cb 0.87 -4.95 -0.01 0.00 1.02 0.00 0.00 30.24 27.17 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 -0.89 0.05 3.52 1.08 0.00 -0.93 -4.92 105.19 103.10 1g3i n GLY 69 Ca -0.03 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1g3i n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1g3i n HIS 70 N -3.82 4.77 0.00 1.61 8.25 -0.18 -4.90 115.22 120.95 1g3i n HIS 70 Ca -0.15 -3.04 0.00 0.00 -0.26 0.00 0.00 57.72 54.26 1g3i n HIS 70 Cb 0.59 -2.46 0.00 0.00 1.12 0.00 0.00 29.99 29.24 1g3i n HIS 70 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1g3i n LEU 71 N 7.27 0.00 -0.48 2.41 7.94 -1.26 -0.36 117.00 132.51 1g3i n LEU 71 Ca 0.44 0.36 0.40 0.00 -1.11 0.00 0.00 56.01 56.10 1g3i n LEU 71 Cb 0.45 0.00 0.61 0.00 0.53 0.00 0.00 43.42 45.01 1g3i n LEU 71 CO 0.71 0.00 1.25 -0.11 -1.11 0.00 0.00 177.39 178.13 1g3i n LEU 72 N -0.78 0.00 -0.06 -1.96 7.94 -1.26 -1.15 117.00 119.73 1g3i n LEU 72 Ca 0.00 0.81 -0.04 0.00 -1.11 0.00 0.00 56.01 55.67 1g3i n LEU 72 Cb 0.00 -0.37 -0.01 0.00 0.53 0.00 0.00 43.42 43.57 1g3i n LEU 72 CO 0.00 -0.81 -0.30 0.29 -1.11 0.00 0.00 177.39 175.47 1g3i n LYS 73 N -3.46 0.39 -0.49 1.96 4.76 -0.63 -3.82 118.16 116.86 1g3i n LYS 73 Ca 0.33 0.49 0.41 0.00 -2.87 0.00 0.00 58.31 56.67 1g3i n LYS 73 Cb 1.65 -1.56 0.68 0.00 -1.84 0.00 0.00 35.03 33.96 1g3i n LYS 73 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1g3i n SER 74 N -4.28 0.18 0.44 4.39 3.41 0.51 0.12 113.62 118.39 1g3i n SER 74 Ca -0.06 1.31 -0.17 0.00 -0.26 0.00 0.00 58.87 59.68 1g3i n SER 74 Cb 0.23 -0.64 -0.08 0.00 -0.26 0.00 0.00 64.21 63.45 1g3i n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g3i h ALA 75 N 1.48 -1.20 -0.94 7.33 0.00 -1.40 -1.95 119.26 122.58 1g3i h ALA 75 Ca 0.87 -0.25 0.16 0.00 0.00 0.00 0.00 54.91 55.69 1g3i h ALA 75 Cb 2.88 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 21.01 1g3i h ALA 75 CO -0.40 -1.12 0.54 0.28 0.00 0.00 0.00 179.25 178.54 1g3i h VAL 76 N -1.22 0.75 -0.08 0.00 2.07 0.77 0.46 116.25 119.00 1g3i h VAL 76 Ca -0.12 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1g3i h VAL 76 Cb 0.86 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1g3i h VAL 76 CO 0.19 0.14 -0.13 -0.33 0.02 0.00 0.00 177.57 177.45 1g3i h GLU 77 N 0.74 0.13 -0.10 1.57 5.08 -0.85 -0.87 114.58 120.29 1g3i h GLU 77 Ca 0.52 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.78 1g3i h GLU 77 Cb 0.72 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1g3i h GLU 77 CO -0.36 0.27 -0.22 1.25 -1.00 0.00 0.00 179.01 178.95 1g3i h LEU 78 N 0.12 0.37 0.06 1.33 5.85 0.64 -3.27 115.31 120.41 1g3i h LEU 78 Ca 0.03 -0.57 0.03 0.00 0.84 0.00 0.00 57.88 58.20 1g3i h LEU 78 Cb 0.32 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1g3i h LEU 78 CO 0.02 0.87 -0.27 0.00 -0.34 0.00 0.00 178.44 178.72 1g3i h ALA 79 N 0.51 -0.42 -1.05 1.25 0.00 -0.56 -1.45 119.26 117.55 1g3i h ALA 79 Ca 0.00 -0.02 0.30 0.00 0.00 0.00 0.00 54.91 55.19 1g3i h ALA 79 Cb 0.82 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 1g3i h ALA 79 CO 0.05 -0.79 0.96 1.57 0.00 0.00 0.00 179.25 181.04 1g3i h LYS 80 N -0.45 0.00 0.00 0.00 5.09 -1.23 0.50 116.57 120.48 1g3i h LYS 80 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.79 1g3i h LYS 80 Cb 0.51 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.84 1g3i h LYS 80 CO -0.20 0.00 0.00 -0.44 -2.09 0.00 0.00 179.45 176.72 1g3i h ASP 81 N 0.00 0.00 0.00 7.07 3.45 -1.31 -1.74 116.42 123.89 1g3i h ASP 81 Ca 0.50 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.96 1g3i h ASP 81 Cb 2.41 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 41.18 1g3i h ASP 81 CO -0.01 0.00 -1.72 0.79 -1.57 0.00 0.00 179.24 176.74 1g3i n TRP 82 N -2.78 0.00 -2.61 4.55 8.01 0.17 -3.98 117.44 120.81 1g3i n TRP 82 Ca -0.01 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.77 1g3i n TRP 82 Cb 0.15 -0.36 0.02 0.00 -2.01 0.00 0.00 31.31 29.11 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 -2.05 5.24 0.00 -0.99 1.74 -0.65 -4.77 116.66 115.19 1g3i n ARG 83 Ca -0.02 -4.52 0.00 0.00 -0.77 0.00 0.00 57.85 52.54 1g3i n ARG 83 Cb 0.50 -2.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.45 1g3i n ARG 83 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1g3i n THR 84 N 0.32 0.00 -0.01 0.55 -2.24 -1.26 -4.97 114.28 106.67 1g3i n THR 84 Ca 0.46 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.29 1g3i n THR 84 Cb 0.27 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.40 1g3i n THR 84 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1g3i n ASP 85 N 0.00 2.05 -3.88 3.42 9.92 -1.26 -4.77 116.55 122.02 1g3i n ASP 85 Ca 0.00 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.96 1g3i n ASP 85 Cb 0.00 1.47 -0.15 0.00 -0.64 0.00 0.00 41.12 41.80 1g3i n ASP 85 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1g3i s ARG 86 N -2.80 1.26 1.03 -1.24 3.52 -1.26 -5.12 118.95 114.34 1g3i s ARG 86 Ca -0.05 -1.71 -0.15 0.00 -0.13 0.00 0.00 55.73 53.69 1g3i s ARG 86 Cb 0.08 -2.73 0.21 0.00 -1.56 0.00 0.00 34.95 30.95 1g3i s ARG 86 CO 0.53 -1.00 1.14 0.00 -0.81 0.00 0.00 175.30 175.16 1g3i s ALA 87 N 0.94 1.25 -0.82 6.12 0.00 -1.26 -4.93 121.76 123.06 1g3i s ALA 87 Ca 0.12 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1g3i s ALA 87 Cb -0.20 -2.97 0.25 0.00 0.00 0.00 0.00 23.12 20.20 1g3i s ALA 87 CO -0.12 -2.86 0.90 -0.11 0.00 0.00 0.00 175.76 173.57 1g3i n LEU 88 N -4.19 4.42 0.00 0.00 0.00 -1.26 -5.03 117.00 110.95 1g3i n LEU 88 Ca 0.09 -5.28 0.00 0.00 0.00 0.00 0.00 56.01 50.83 1g3i n LEU 88 Cb 0.59 -0.94 0.00 0.00 0.00 0.00 0.00 43.42 43.07 1g3i n LEU 88 CO 0.52 1.80 0.00 0.54 0.00 0.00 0.00 177.39 180.25 1g3i n ARG 89 N 1.51 0.00 0.00 1.96 1.74 -1.26 -4.67 116.66 115.93 1g3i n ARG 89 Ca 0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1g3i n ARG 89 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 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 8.16 0.00 -4.31 5.56 -0.00 -1.26 -5.06 118.16 121.24 1g3i n LYS 90 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 1g3i n LYS 90 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 34.87 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 0.00 2.29 -1.19 -5.58 1.02 -0.29 -5.01 118.68 109.91 1g3i s LEU 91 Ca 0.00 -0.57 -0.19 0.00 0.02 0.00 0.00 54.13 53.39 1g3i s LEU 91 Cb 0.00 -1.52 -0.03 0.00 0.02 0.00 0.00 46.19 44.66 1g3i s LEU 91 CO 0.00 0.03 1.95 -0.62 0.02 0.00 0.00 176.35 177.73 1g3i n GLU 92 N 4.39 2.35 0.00 1.70 -0.58 -1.26 -3.73 120.64 123.51 1g3i n GLU 92 Ca -0.20 -2.60 0.00 0.00 -0.42 0.00 0.00 57.16 53.94 1g3i n GLU 92 Cb 0.51 -3.37 0.00 0.00 -0.57 0.00 0.00 31.44 28.01 1g3i n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g3i n ALA 93 N 9.05 0.00 -2.76 0.62 0.00 -1.26 -1.00 120.51 125.16 1g3i n ALA 93 Ca 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.80 1g3i n ALA 93 Cb 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 1g3i n ALA 93 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1g3i s MET 94 N -2.00 0.60 -0.00 0.00 -1.94 0.20 -1.67 119.30 114.48 1g3i s MET 94 Ca 0.00 -0.85 0.08 0.00 -1.71 0.00 0.00 55.69 53.21 1g3i s MET 94 Cb 0.00 -0.34 -0.02 0.00 2.01 0.00 0.00 34.83 36.48 1g3i s MET 94 CO 0.00 0.05 -0.25 -1.17 -0.01 0.00 0.00 175.02 173.64 1g3i s LEU 95 N -1.78 2.08 -0.27 -0.03 2.96 0.11 -1.77 118.68 119.98 1g3i s LEU 95 Ca -0.07 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.38 1g3i s LEU 95 Cb -0.08 -1.29 0.06 0.00 0.50 0.00 0.00 46.19 45.38 1g3i s LEU 95 CO -0.00 0.29 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.61 1g3i s ILE 96 N -0.65 2.30 -0.05 6.68 1.01 0.49 0.57 121.20 131.54 1g3i s ILE 96 Ca 0.10 -1.66 0.05 0.00 0.00 0.00 0.00 60.65 59.14 1g3i s ILE 96 Cb -0.10 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 1g3i s ILE 96 CO -0.00 -0.09 -0.20 0.68 0.00 0.00 0.00 174.94 175.33 1g3i s VAL 97 N 1.11 2.50 -0.16 2.92 -7.23 -0.15 -0.57 120.40 118.82 1g3i s VAL 97 Ca -0.07 -0.92 -0.22 0.00 -1.81 0.00 0.00 61.98 58.96 1g3i s VAL 97 Cb -0.20 -1.94 0.06 0.00 0.56 0.00 0.00 36.38 34.86 1g3i s VAL 97 CO -0.05 0.58 0.57 0.00 -0.31 0.00 0.00 175.10 175.89 1g3i s ALA 98 N -0.42 -1.43 0.17 1.32 0.00 -0.35 0.29 121.76 121.35 1g3i s ALA 98 Ca 0.04 1.41 0.01 0.00 0.00 0.00 0.00 51.96 53.42 1g3i s ALA 98 Cb -0.12 -0.61 -0.00 0.00 0.00 0.00 0.00 23.12 22.38 1g3i s ALA 98 CO 0.02 -0.29 0.05 -0.40 0.00 0.00 0.00 175.76 175.13 1g3i n ASP 99 N 2.17 1.33 0.32 0.00 3.85 0.23 0.02 116.55 124.47 1g3i n ASP 99 Ca -0.16 -1.88 0.15 0.00 -0.71 0.00 0.00 54.79 52.19 1g3i n ASP 99 Cb 0.56 0.37 0.78 0.00 -1.35 0.00 0.00 41.12 41.48 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 0.00 0.00 0.11 4.11 -1.94 -3.23 114.58 113.63 1g3i h GLU 100 Ca -0.14 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.10 1g3i h GLU 100 Cb 0.50 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1g3i h GLU 100 CO 0.22 0.00 -1.50 0.36 0.07 0.00 0.00 179.01 178.16 1g3i n LYS 101 N -2.81 0.35 -4.57 1.06 2.85 -1.26 -5.04 118.16 108.73 1g3i n LYS 101 Ca -0.02 0.15 -0.32 0.00 -1.05 0.00 0.00 58.31 57.07 1g3i n LYS 101 Cb 0.37 -1.09 -0.05 0.00 -0.65 0.00 0.00 35.03 33.61 1g3i n LYS 101 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1g3i n GLU 102 N -3.87 0.72 -3.65 -1.58 -0.58 -1.22 -5.15 120.64 105.31 1g3i n GLU 102 Ca -0.25 -3.75 -0.06 0.00 -0.42 0.00 0.00 57.16 52.68 1g3i n GLU 102 Cb 0.60 0.88 -0.07 0.00 -0.57 0.00 0.00 31.44 32.28 1g3i n GLU 102 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1g3i s SER 103 N -3.96 -0.96 0.25 1.62 1.04 -1.26 -0.60 113.70 109.83 1g3i s SER 103 Ca 0.07 1.48 0.05 0.00 0.48 0.00 0.00 55.95 58.03 1g3i s SER 103 Cb -0.01 1.59 -0.02 0.00 0.10 0.00 0.00 66.02 67.69 1g3i s SER 103 CO 0.04 -0.23 0.17 0.18 0.98 0.00 0.00 173.24 174.38 1g3i n LEU 104 N 4.64 0.00 -3.73 2.42 4.77 0.85 -4.48 117.00 121.47 1g3i n LEU 104 Ca -0.18 -2.21 -0.15 0.00 -0.03 0.00 0.00 56.01 53.44 1g3i n LEU 104 Cb 0.56 1.06 -0.15 0.00 -2.33 0.00 0.00 43.42 42.55 1g3i n LEU 104 CO -0.02 -0.36 -0.27 -0.51 -1.33 0.00 0.00 177.39 174.90 1g3i s ILE 105 N -2.87 -0.11 -0.08 -0.08 2.07 -1.06 -0.98 121.20 118.10 1g3i s ILE 105 Ca 0.25 0.26 0.03 0.00 -1.41 0.00 0.00 60.65 59.77 1g3i s ILE 105 Cb 0.01 -0.20 0.01 0.00 0.13 0.00 0.00 42.46 42.41 1g3i s ILE 105 CO 0.17 0.11 -0.17 -0.63 -1.91 0.00 0.00 174.94 172.51 1g3i s ILE 106 N 1.52 1.53 0.08 2.00 1.01 0.19 -1.21 121.20 126.31 1g3i s ILE 106 Ca -0.05 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 1g3i s ILE 106 Cb -0.12 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1g3i s ILE 106 CO -0.05 0.44 0.25 0.42 0.00 0.00 0.00 174.94 176.00 1g3i s THR 107 N 0.57 5.34 -2.00 2.92 -4.23 -1.02 0.08 115.64 117.31 1g3i s THR 107 Ca -0.15 -0.32 0.09 0.00 -1.18 0.00 0.00 61.69 60.13 1g3i s THR 107 Cb -0.17 -3.63 0.27 0.00 1.34 0.00 0.00 72.50 70.31 1g3i s THR 107 CO 0.05 0.11 1.02 0.61 -0.54 0.00 0.00 174.62 175.87 1g3i n GLY 108 N 0.21 -0.51 0.08 3.99 0.00 -0.67 -0.79 105.19 107.49 1g3i n GLY 108 Ca -0.05 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.02 1g3i n GLY 108 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1g3i n ILE 109 N -0.79 0.47 0.00 -0.61 5.41 -1.26 -1.14 119.36 121.44 1g3i n ILE 109 Ca 0.07 -0.54 0.00 0.00 1.00 0.00 0.00 62.75 63.28 1g3i n ILE 109 Cb 0.03 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 38.71 1g3i n ILE 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1g3i n GLY 110 N 1.22 0.76 3.57 7.39 0.00 0.03 -4.88 105.19 113.28 1g3i n GLY 110 Ca -0.02 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.87 -0.38 -0.03 1.61 3.84 -1.25 -4.87 116.67 114.72 1g3i s ASP 111 Ca 0.00 0.38 0.07 0.00 -0.00 0.00 0.00 52.55 53.00 1g3i s ASP 111 Cb 0.00 0.32 -0.02 0.00 -1.38 0.00 0.00 42.92 41.84 1g3i s ASP 111 CO 0.00 -0.38 -0.24 -0.69 -0.00 0.00 0.00 175.17 173.86 1g3i s VAL 112 N -1.30 2.18 -0.04 2.11 1.01 -1.26 -2.45 120.40 120.65 1g3i s VAL 112 Ca -0.01 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1g3i s VAL 112 Cb -0.00 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.60 1g3i s VAL 112 CO 0.01 0.58 -0.14 -0.69 0.00 0.00 0.00 175.10 174.86 1g3i s VAL 113 N -0.50 1.19 -0.11 2.92 1.01 -0.35 -5.00 120.40 119.56 1g3i s VAL 113 Ca 0.06 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 1g3i s VAL 113 Cb -0.11 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1g3i s VAL 113 CO 0.00 0.35 0.17 -1.10 0.00 0.00 0.00 175.10 174.53 1g3i s GLN 114 N 0.19 3.51 0.98 2.72 -0.21 -1.26 -2.56 119.66 123.03 1g3i s GLN 114 Ca -0.06 -0.07 -0.15 0.00 0.02 0.00 0.00 55.36 55.10 1g3i s GLN 114 Cb -0.11 -3.20 0.24 0.00 1.00 0.00 0.00 33.01 30.94 1g3i s GLN 114 CO 0.02 0.76 0.54 -2.30 -2.12 0.00 0.00 175.29 172.19 1g3i n PRO 115 N 1.99 -3.26 -4.05 2.91 -0.02 -1.26 -5.05 135.00 126.26 1g3i n PRO 115 Ca -0.19 -0.91 -0.26 0.00 -2.02 0.00 0.00 63.50 60.11 1g3i n PRO 115 Cb 0.55 -1.29 -0.04 0.00 -0.02 0.00 0.00 33.50 32.69 1g3i n PRO 115 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1g3i s GLU 116 N -4.07 2.26 0.07 -0.52 1.03 -1.26 -4.79 118.70 111.42 1g3i s GLU 116 Ca 0.42 -1.98 0.00 0.00 0.03 0.00 0.00 54.97 53.44 1g3i s GLU 116 Cb -0.07 -2.01 0.16 0.00 -0.80 0.00 0.00 34.13 31.40 1g3i s GLU 116 CO 0.35 -0.40 0.35 -0.85 -1.33 0.00 0.00 175.26 173.37 1g3i n GLU 117 N -1.53 -0.02 0.00 -4.83 0.00 -1.26 0.69 120.64 113.69 1g3i n GLU 117 Ca -0.04 0.33 0.16 0.00 0.00 0.00 0.00 57.16 57.62 1g3i n GLU 117 Cb 0.64 -0.52 0.93 0.00 0.00 0.00 0.00 31.44 32.49 1g3i n GLU 117 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1g3i n ASP 118 N -4.11 0.00 -0.86 -1.84 5.68 -1.26 -4.92 116.55 109.24 1g3i n ASP 118 Ca 0.05 -0.94 0.00 0.00 -0.50 0.00 0.00 54.79 53.40 1g3i n ASP 118 Cb 0.16 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 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 -1.02 -0.91 -2.56 0.11 6.02 3.22 -4.71 117.38 117.53 1g3i n GLN 119 Ca 0.23 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.83 1g3i n GLN 119 Cb 0.12 -3.51 -0.05 0.00 1.02 0.00 0.00 30.24 27.82 1g3i n GLN 119 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1g3i s ILE 120 N -0.86 3.67 -0.00 5.09 1.01 -1.26 -4.56 121.20 124.29 1g3i s ILE 120 Ca 0.00 1.64 0.04 0.00 0.00 0.00 0.00 60.65 62.32 1g3i s ILE 120 Cb 0.00 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 1g3i s ILE 120 CO 0.00 0.35 -0.12 -0.76 0.00 0.00 0.00 174.94 174.41 1g3i s LEU 121 N -1.52 2.04 -0.15 2.97 1.43 0.10 -4.75 118.68 118.81 1g3i s LEU 121 Ca 0.45 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 53.19 1g3i s LEU 121 Cb -0.29 -0.60 0.04 0.00 0.03 0.00 0.00 46.19 45.37 1g3i s LEU 121 CO 0.37 0.13 0.39 0.00 0.23 0.00 0.00 176.35 177.46 1g3i s ALA 122 N -0.34 -0.96 0.12 4.21 0.00 -1.25 0.21 121.76 123.75 1g3i s ALA 122 Ca 0.04 1.17 -0.03 0.00 0.00 0.00 0.00 51.96 53.15 1g3i s ALA 122 Cb -0.05 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1g3i s ALA 122 CO -0.00 -0.20 0.09 0.96 0.00 0.00 0.00 175.76 176.60 1g3i s ILE 123 N 0.49 0.12 0.00 0.00 -4.36 0.64 -4.81 121.20 113.28 1g3i s ILE 123 Ca -0.02 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 1g3i s ILE 123 Cb -0.04 -1.89 0.00 0.00 1.25 0.00 0.00 42.46 41.77 1g3i s ILE 123 CO -0.03 -0.53 0.00 0.61 0.24 0.00 0.00 174.94 175.23 1g3i n GLY 124 N -0.08 -3.11 0.46 6.27 0.00 -1.26 -1.02 105.19 106.44 1g3i n GLY 124 Ca -0.08 -2.15 -0.19 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.09 0.00 1.61 4.64 -1.69 -2.49 113.55 114.53 1g3i h SER 125 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1g3i h SER 125 Cb 0.00 0.32 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1g3i h SER 125 CO 0.00 -0.66 0.00 0.61 -0.87 0.00 0.00 176.83 175.91 1g3i n GLY 126 N -1.56 1.54 0.00 -0.77 0.00 -0.96 -4.62 105.19 98.82 1g3i n GLY 126 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1g3i n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g3i n GLY 127 N 0.29 -1.12 0.47 -0.02 0.00 -0.94 -2.58 105.19 101.29 1g3i n GLY 127 Ca 0.00 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.37 1g3i n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g3i n ASN 128 N 0.00 0.00 0.22 1.61 3.02 -1.26 0.37 115.26 119.21 1g3i n ASN 128 Ca 0.00 0.66 -0.09 0.00 -0.03 0.00 0.00 54.58 55.12 1g3i n ASN 128 Cb 0.00 -0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 38.81 1g3i n ASN 128 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 1g3i h TYR 129 N 0.00 -0.52 -0.92 3.10 0.99 -1.85 0.43 116.97 118.20 1g3i h TYR 129 Ca 0.61 -0.01 0.16 0.00 2.00 0.00 0.00 58.73 61.49 1g3i h TYR 129 Cb 2.52 0.17 -0.08 0.00 1.00 0.00 0.00 36.73 40.35 1g3i h TYR 129 CO 0.00 -0.33 0.59 0.00 -0.00 0.00 0.00 178.16 178.42 1g3i h ALA 130 N -1.68 1.87 0.43 3.88 0.00 0.18 -0.51 119.26 123.44 1g3i h ALA 130 Ca -0.06 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1g3i h ALA 130 Cb 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1g3i h ALA 130 CO 0.09 -0.14 -0.21 1.25 0.00 0.00 0.00 179.25 180.24 1g3i h LEU 131 N 0.66 -0.51 -1.41 0.00 5.85 -1.03 0.25 115.31 119.12 1g3i h LEU 131 Ca 0.48 0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.33 1g3i h LEU 131 Cb 0.83 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 1g3i h LEU 131 CO -0.23 -0.36 0.51 0.28 -0.34 0.00 0.00 178.44 178.30 1g3i h SER 132 N -0.59 0.58 0.22 1.25 0.02 0.14 -0.05 113.55 115.12 1g3i h SER 132 Ca -0.06 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1g3i h SER 132 Cb 0.45 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1g3i h SER 132 CO 0.09 0.33 -0.11 0.00 -1.14 0.00 0.00 176.83 176.00 1g3i h ALA 133 N 1.62 -0.30 -0.00 3.77 0.00 -0.77 -1.19 119.26 122.39 1g3i h ALA 133 Ca 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1g3i h ALA 133 Cb 0.57 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1g3i h ALA 133 CO -0.14 -0.47 -0.00 0.00 0.00 0.00 0.00 179.25 178.64 1g3i h ALA 134 N -0.07 -0.43 -0.97 0.00 0.00 0.51 0.18 119.26 118.48 1g3i h ALA 134 Ca -0.03 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.10 1g3i h ALA 134 Cb 0.48 0.57 -0.18 0.00 0.00 0.00 0.00 17.79 18.67 1g3i h ALA 134 CO 0.05 -0.43 -0.14 0.00 0.00 0.00 0.00 179.25 178.73 1g3i h ARG 135 N -0.00 0.00 -0.28 0.00 3.08 -1.14 1.20 114.38 117.24 1g3i h ARG 135 Ca 0.00 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1g3i h ARG 135 Cb 0.00 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 1g3i h ARG 135 CO -0.00 0.00 -0.24 0.00 -1.07 0.00 0.00 179.97 178.66 1g3i h ALA 136 N 1.97 -0.09 -0.66 0.04 0.00 -0.06 -1.50 119.26 118.96 1g3i h ALA 136 Ca 0.51 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1g3i h ALA 136 Cb 0.89 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1g3i h ALA 136 CO -0.97 -0.65 0.00 1.28 0.00 0.00 0.00 179.25 178.91 1g3i n LEU 137 N -5.38 0.17 -0.24 0.00 4.32 0.37 -2.55 117.00 113.70 1g3i n LEU 137 Ca -0.00 0.76 0.19 0.00 -0.02 0.00 0.00 56.01 56.94 1g3i n LEU 137 Cb 0.29 -0.39 0.35 0.00 -1.62 0.00 0.00 43.42 42.06 1g3i n LEU 137 CO 0.13 -0.39 0.70 0.52 -1.22 0.00 0.00 177.39 177.14 1g3i n VAL 138 N -1.67 -0.31 0.09 4.08 0.31 0.11 -0.26 118.33 120.68 1g3i n VAL 138 Ca 0.00 1.52 -0.04 0.00 -0.01 0.00 0.00 64.34 65.81 1g3i n VAL 138 Cb 0.00 -2.38 -0.07 0.00 -0.91 0.00 0.00 33.84 30.48 1g3i n VAL 138 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1g3i h GLU 139 N 0.00 0.00 -0.13 5.55 5.08 -1.33 -3.36 114.58 120.38 1g3i h GLU 139 Ca 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.92 1g3i h GLU 139 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1g3i h GLU 139 CO -0.60 0.84 0.00 0.09 -1.00 0.00 0.00 179.01 178.34 1g3i n ASN 140 N -3.32 2.61 -3.69 1.42 3.02 0.65 -5.04 115.26 110.90 1g3i n ASN 140 Ca 0.01 -2.37 -0.12 0.00 -0.03 0.00 0.00 54.58 52.07 1g3i n ASN 140 Cb 0.87 -0.23 -0.06 0.00 -0.61 0.00 0.00 39.78 39.75 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 -1.65 0.07 -1.09 3.41 -1.32 -0.33 -5.03 115.64 109.71 1g3i s THR 141 Ca 0.19 -0.58 -0.05 0.00 -1.21 0.00 0.00 61.69 60.04 1g3i s THR 141 Cb 0.14 -1.01 0.30 0.00 -1.51 0.00 0.00 72.50 70.43 1g3i s THR 141 CO 0.06 -0.32 1.46 -0.62 -2.21 0.00 0.00 174.62 173.00 1g3i n GLU 142 N 0.37 4.39 -4.32 7.08 -0.58 -1.26 -4.62 120.64 121.70 1g3i n GLU 142 Ca -0.18 -4.53 -0.31 0.00 -0.42 0.00 0.00 57.16 51.73 1g3i n GLU 142 Cb 0.61 -2.52 -0.10 0.00 -0.57 0.00 0.00 31.44 28.85 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 -2.61 3.17 0.32 -4.62 1.43 -1.26 -5.09 118.68 110.02 1g3i s LEU 143 Ca 0.31 -0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 52.88 1g3i s LEU 143 Cb 0.04 -1.89 -0.11 0.00 0.03 0.00 0.00 46.19 44.26 1g3i s LEU 143 CO 0.09 0.22 1.52 -0.94 0.23 0.00 0.00 176.35 177.47 1g3i s SER 144 N -1.88 6.42 0.60 2.29 1.04 -1.26 -4.78 113.70 116.13 1g3i s SER 144 Ca 0.20 2.94 0.29 0.00 0.48 0.00 0.00 55.95 59.86 1g3i s SER 144 Cb -0.11 -2.65 1.45 0.00 0.10 0.00 0.00 66.02 64.81 1g3i s SER 144 CO 0.12 -0.85 1.85 0.00 0.98 0.00 0.00 173.24 175.34 1g3i h ALA 145 N 4.03 2.18 0.15 5.32 0.00 -1.89 0.14 119.26 129.20 1g3i h ALA 145 Ca -0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1g3i h ALA 145 Cb 1.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1g3i h ALA 145 CO 0.72 -0.77 -0.07 1.25 0.00 0.00 0.00 179.25 180.38 1g3i h HIS 146 N 0.00 -0.19 -0.89 0.00 -0.00 -1.88 -2.73 115.15 109.45 1g3i h HIS 146 Ca 0.22 -0.00 0.23 0.00 -0.00 0.00 0.00 60.37 60.82 1g3i h HIS 146 Cb 1.27 0.06 -0.13 0.00 -0.00 0.00 0.00 27.41 28.61 1g3i h HIS 146 CO 0.00 -0.12 0.33 0.93 -0.00 0.00 0.00 177.93 179.07 1g3i h GLU 147 N -0.98 0.29 0.95 5.26 5.08 -1.43 0.18 114.58 123.93 1g3i h GLU 147 Ca -0.02 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1g3i h GLU 147 Cb 0.16 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1g3i h GLU 147 CO 0.03 0.19 -0.45 0.82 -1.00 0.00 0.00 179.01 178.60 1g3i h ILE 148 N 0.30 0.00 -0.81 3.13 2.04 -0.92 0.28 117.51 121.53 1g3i h ILE 148 Ca 0.57 -0.04 0.24 0.00 1.00 0.00 0.00 64.86 66.62 1g3i h ILE 148 Cb 1.13 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1g3i h ILE 148 CO -0.59 0.00 0.62 0.58 0.00 0.00 0.00 178.15 178.76 1g3i h VAL 149 N -1.31 0.51 0.18 1.67 2.07 -0.84 0.78 116.25 119.31 1g3i h VAL 149 Ca -0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1g3i h VAL 149 Cb 0.97 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1g3i h VAL 149 CO 0.21 0.00 -0.09 -0.08 0.02 0.00 0.00 177.57 177.64 1g3i h GLU 150 N 0.00 -0.23 -0.75 1.57 4.22 -0.25 -2.86 114.58 116.27 1g3i h GLU 150 Ca 0.39 0.02 0.17 0.00 0.08 0.00 0.00 59.36 60.01 1g3i h GLU 150 Cb 1.62 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 30.80 1g3i h GLU 150 CO -0.00 -0.15 0.06 0.87 -2.18 0.00 0.00 179.01 177.60 1g3i h LYS 151 N -0.63 0.14 -0.44 1.92 1.79 0.11 0.54 116.57 119.99 1g3i h LYS 151 Ca -0.02 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1g3i h LYS 151 Cb 0.18 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 1g3i h LYS 151 CO 0.04 0.09 0.20 0.77 -1.08 0.00 0.00 179.45 179.47 1g3i h SER 152 N 0.14 0.56 -0.28 0.86 0.02 0.39 -2.38 113.55 112.87 1g3i h SER 152 Ca 0.42 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1g3i h SER 152 Cb 0.74 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1g3i h SER 152 CO -0.62 0.49 0.10 -0.07 -1.14 0.00 0.00 176.83 175.58 1g3i h LEU 153 N 0.62 0.39 0.27 5.07 3.38 -0.65 -2.82 115.31 121.58 1g3i h LEU 153 Ca 0.15 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1g3i h LEU 153 Cb 0.09 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1g3i h LEU 153 CO -0.02 0.47 -0.48 -0.09 0.09 0.00 0.00 178.44 178.41 1g3i h ARG 154 N 0.29 -0.78 -0.98 1.13 2.43 -1.13 -0.37 114.38 114.98 1g3i h ARG 154 Ca 0.09 0.05 0.19 0.00 -0.81 0.00 0.00 59.98 59.50 1g3i h ARG 154 Cb 0.21 0.18 -0.18 0.00 -0.42 0.00 0.00 29.97 29.76 1g3i h ARG 154 CO -0.00 -0.52 -0.28 -0.89 -1.51 0.00 0.00 179.97 176.77 1g3i n ILE 155 N -5.26 -0.43 -0.26 1.20 -0.00 -1.03 0.13 119.36 113.72 1g3i n ILE 155 Ca -0.09 2.25 -0.06 0.00 -0.00 0.00 0.00 62.75 64.85 1g3i n ILE 155 Cb 0.40 -3.08 0.05 0.00 -0.00 0.00 0.00 39.64 37.01 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 1.82 0.91 0.00 -1.39 0.00 -1.09 -2.66 119.26 116.85 1g3i h ALA 156 Ca 0.44 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1g3i h ALA 156 Cb 0.69 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1g3i h ALA 156 CO -1.00 0.48 -0.11 0.78 0.00 0.00 0.00 179.25 179.40 1g3i h GLY 157 N 0.99 0.00 -0.46 0.00 0.00 0.14 0.37 103.07 104.10 1g3i h GLY 157 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1g3i h GLY 157 CO -0.03 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.73 1g3i n ASP 158 N -3.80 0.96 0.00 0.19 10.43 -0.69 -4.09 116.55 119.55 1g3i n ASP 158 Ca -0.02 -1.81 0.00 0.00 2.57 0.00 0.00 54.79 55.53 1g3i n ASP 158 Cb 0.22 -0.09 0.00 0.00 1.84 0.00 0.00 41.12 43.08 1g3i n ASP 158 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1g3i n ILE 159 N -0.06 0.00 -2.86 0.53 5.41 -0.59 -5.03 119.36 116.76 1g3i n ILE 159 Ca 0.10 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.44 1g3i n ILE 159 Cb 0.18 -0.20 -0.04 0.00 -0.71 0.00 0.00 39.64 38.88 1g3i n ILE 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1g3i n VAL 161 N 4.49 0.12 -1.50 0.00 0.24 -1.26 -2.45 118.33 117.97 1g3i n VAL 161 Ca 0.04 0.03 -0.01 0.00 -2.04 0.00 0.00 64.34 62.37 1g3i n VAL 161 Cb 0.49 -0.65 0.20 0.00 -1.47 0.00 0.00 33.84 32.41 1g3i n VAL 161 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1g3i n PHE 162 N -1.13 0.72 -3.75 6.34 3.72 -1.26 -4.98 117.46 117.11 1g3i n PHE 162 Ca 0.15 -1.57 -0.13 0.00 -0.05 0.00 0.00 57.45 55.85 1g3i n PHE 162 Cb 0.13 -0.41 -0.11 0.00 -0.94 0.00 0.00 39.48 38.15 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 -3.25 -0.00 0.48 4.37 2.01 -1.03 -0.27 115.64 117.95 1g3i s THR 163 Ca 0.42 0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.48 1g3i s THR 163 Cb 0.39 -0.48 -0.01 0.00 0.01 0.00 0.00 72.50 72.42 1g3i s THR 163 CO -0.03 0.00 0.20 0.54 -0.69 0.00 0.00 174.62 174.65 1g3i s ASN 164 N 0.26 4.40 0.11 3.53 6.03 -1.26 -4.64 114.94 123.37 1g3i s ASN 164 Ca -0.01 -1.29 0.25 0.00 -1.03 0.00 0.00 52.86 50.78 1g3i s ASN 164 Cb -0.03 0.09 0.45 0.00 -3.03 0.00 0.00 41.25 38.73 1g3i s ASN 164 CO -0.00 -0.81 1.40 0.35 -2.03 0.00 0.00 177.10 176.01 1g3i n THR 165 N -1.42 0.32 -2.68 0.54 -2.24 -1.26 -4.65 114.28 102.90 1g3i n THR 165 Ca -0.06 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 1g3i n THR 165 Cb 0.65 -0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 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 -4.06 6.50 0.38 3.42 3.84 -1.26 -4.97 114.94 118.79 1g3i s ASN 166 Ca 0.08 -1.52 0.08 0.00 0.21 0.00 0.00 52.86 51.70 1g3i s ASN 166 Cb 0.14 -2.51 -0.07 0.00 -0.55 0.00 0.00 41.25 38.26 1g3i s ASN 166 CO 0.70 -1.40 0.02 0.72 -2.79 0.00 0.00 177.10 174.35 1g3i s PHE 167 N 4.34 2.52 -0.14 0.43 -0.12 -1.26 -2.19 117.98 121.56 1g3i s PHE 167 Ca 0.40 -0.58 0.00 0.00 -0.05 0.00 0.00 56.93 56.71 1g3i s PHE 167 Cb -0.03 -1.68 0.02 0.00 -0.63 0.00 0.00 43.02 40.70 1g3i s PHE 167 CO -0.07 0.43 -0.12 0.95 -0.05 0.00 0.00 175.22 176.35 1g3i s THR 168 N -2.63 1.44 -0.11 -4.49 -4.23 -0.63 -4.99 115.64 100.01 1g3i s THR 168 Ca 0.36 -0.57 0.01 0.00 -1.18 0.00 0.00 61.69 60.31 1g3i s THR 168 Cb 0.05 -1.39 -0.02 0.00 1.34 0.00 0.00 72.50 72.49 1g3i s THR 168 CO 0.19 0.42 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.92 1g3i s ILE 169 N 1.54 2.96 -0.04 2.99 1.01 -1.26 -3.24 121.20 125.15 1g3i s ILE 169 Ca 0.05 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 60.04 1g3i s ILE 169 Cb -0.13 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 1g3i s ILE 169 CO -0.10 0.54 -0.23 -1.61 0.00 0.00 0.00 174.94 173.54 1g3i s GLU 170 N 0.10 2.21 0.33 2.79 0.41 -1.03 -4.98 118.70 118.53 1g3i s GLU 170 Ca -0.07 -0.82 0.04 0.00 -0.41 0.00 0.00 54.97 53.71 1g3i s GLU 170 Cb -0.15 -1.94 -0.06 0.00 -1.78 0.00 0.00 34.13 30.20 1g3i s GLU 170 CO 0.05 0.38 0.06 -1.83 -0.49 0.00 0.00 175.26 173.43 1g3i s GLU 171 N -0.22 1.68 -0.04 1.61 -1.05 -1.26 -0.96 118.70 118.46 1g3i s GLU 171 Ca -0.00 -1.94 0.01 0.00 -0.15 0.00 0.00 54.97 52.89 1g3i s GLU 171 Cb -0.12 -0.86 0.02 0.00 -0.44 0.00 0.00 34.13 32.72 1g3i s GLU 171 CO 0.02 -0.21 -0.06 -0.51 0.95 0.00 0.00 175.26 175.45 1g3i s LEU 172 N -3.50 1.46 0.00 1.83 1.43 -0.35 -4.99 118.68 114.55 1g3i s LEU 172 Ca 0.35 -0.16 0.26 0.00 -1.03 0.00 0.00 54.13 53.55 1g3i s LEU 172 Cb 0.08 -0.51 0.56 0.00 0.03 0.00 0.00 46.19 46.36 1g3i s LEU 172 CO 0.15 -0.02 1.47 -0.81 0.23 0.00 0.00 176.35 177.37