#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 -0.40 -0.23 12.58 2.01 -1.26 -1.73 115.64 126.61 1g3i s THR 2 Ca 0.00 -0.34 -0.03 0.00 0.31 0.00 0.00 61.69 61.63 1g3i s THR 2 Cb 0.00 -0.88 0.01 0.00 0.01 0.00 0.00 72.50 71.63 1g3i s THR 2 CO 0.00 -0.36 -0.05 -0.63 -0.69 0.00 0.00 174.62 172.89 1g3i s ILE 3 N 2.37 3.15 0.05 1.82 -1.09 -0.26 -3.05 121.20 124.19 1g3i s ILE 3 Ca 0.09 -0.71 0.06 0.00 -2.23 0.00 0.00 60.65 57.86 1g3i s ILE 3 Cb -0.15 -2.49 -0.03 0.00 -1.58 0.00 0.00 42.46 38.22 1g3i s ILE 3 CO -0.25 0.34 -0.16 0.54 -1.23 0.00 0.00 174.94 174.18 1g3i s VAL 4 N 1.42 1.25 -0.05 2.92 0.11 -0.27 0.01 120.40 125.79 1g3i s VAL 4 Ca 0.04 -1.16 -0.01 0.00 -2.93 0.00 0.00 61.98 57.92 1g3i s VAL 4 Cb -0.15 -1.15 0.03 0.00 -1.53 0.00 0.00 36.38 33.58 1g3i s VAL 4 CO -0.04 -0.03 0.01 -0.55 -3.33 0.00 0.00 175.10 171.16 1g3i s SER 5 N -1.38 0.99 -0.00 3.54 0.15 0.62 -1.42 113.70 116.20 1g3i s SER 5 Ca 0.02 -0.02 0.06 0.00 0.70 0.00 0.00 55.95 56.71 1g3i s SER 5 Cb -0.09 -0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 63.92 1g3i s SER 5 CO 0.02 -0.17 -0.20 -0.69 1.20 0.00 0.00 173.24 173.41 1g3i s VAL 6 N 1.60 2.64 -0.21 4.45 1.01 -1.13 -0.18 120.40 128.58 1g3i s VAL 6 Ca -0.02 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.93 1g3i s VAL 6 Cb -0.13 -2.03 0.05 0.00 0.00 0.00 0.00 36.38 34.27 1g3i s VAL 6 CO -0.03 0.48 -0.07 -0.60 0.00 0.00 0.00 175.10 174.88 1g3i s ARG 7 N -0.99 1.73 -0.23 2.72 3.52 -1.15 -2.25 118.95 122.29 1g3i s ARG 7 Ca 0.12 -0.86 -0.12 0.00 -0.13 0.00 0.00 55.73 54.74 1g3i s ARG 7 Cb -0.10 -2.44 0.07 0.00 -1.56 0.00 0.00 34.95 30.92 1g3i s ARG 7 CO 0.02 -0.51 0.54 1.03 -0.81 0.00 0.00 175.30 175.57 1g3i s ARG 8 N 1.44 0.53 -0.40 5.12 1.81 -0.75 -4.86 118.95 121.83 1g3i s ARG 8 Ca -0.03 1.03 -0.01 0.00 -1.72 0.00 0.00 55.73 55.00 1g3i s ARG 8 Cb -0.17 0.12 -0.01 0.00 -0.45 0.00 0.00 34.95 34.44 1g3i s ARG 8 CO -0.07 -0.16 0.34 0.09 -0.68 0.00 0.00 175.30 174.81 1g3i n ASN 9 N 4.43 -2.47 -0.43 0.23 4.13 -1.26 -3.20 115.26 116.70 1g3i n ASN 9 Ca -0.20 -0.22 -0.05 0.00 1.68 0.00 0.00 54.58 55.79 1g3i n ASN 9 Cb 0.56 -2.12 -0.02 0.00 -1.54 0.00 0.00 39.78 36.67 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 -1.15 0.43 3.57 7.41 0.00 -1.26 -4.91 105.19 109.29 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 -0.12 1.61 -1.52 -1.19 -4.79 119.66 114.88 1g3i s GLN 11 Ca 0.00 -0.50 0.00 0.00 -1.95 0.00 0.00 55.36 52.92 1g3i s GLN 11 Cb 0.00 -2.79 0.02 0.00 -0.22 0.00 0.00 33.01 30.02 1g3i s GLN 11 CO 0.00 0.49 -0.10 0.08 -0.25 0.00 0.00 175.29 175.50 1g3i s VAL 12 N -0.31 1.21 0.13 1.09 1.01 -1.23 -1.82 120.40 120.48 1g3i s VAL 12 Ca 0.05 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1g3i s VAL 12 Cb -0.12 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1g3i s VAL 12 CO 0.02 0.39 -0.20 -0.69 0.00 0.00 0.00 175.10 174.63 1g3i s VAL 13 N 1.48 1.76 -0.22 2.92 1.01 -0.96 -1.28 120.40 125.11 1g3i s VAL 13 Ca 0.02 -1.69 -0.03 0.00 0.00 0.00 0.00 61.98 60.28 1g3i s VAL 13 Cb -0.13 -1.67 0.10 0.00 0.00 0.00 0.00 36.38 34.68 1g3i s VAL 13 CO -0.07 -0.16 0.23 -0.69 0.00 0.00 0.00 175.10 174.41 1g3i s VAL 14 N -1.50 -0.33 0.28 2.92 1.01 -0.33 -2.84 120.40 119.61 1g3i s VAL 14 Ca 0.10 -0.20 0.10 0.00 0.00 0.00 0.00 61.98 61.98 1g3i s VAL 14 Cb -0.08 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 1g3i s VAL 14 CO 0.05 -0.27 -0.02 -0.83 0.00 0.00 0.00 175.10 174.04 1g3i s GLY 15 N 2.32 1.75 -0.07 4.51 0.00 -0.51 -2.58 107.32 112.75 1g3i s GLY 15 Ca 0.07 -1.73 -0.30 0.00 0.00 0.00 0.00 44.72 42.77 1g3i s GLY 15 CO -0.16 -1.77 0.81 -0.32 0.00 0.00 0.00 173.10 171.65 1g3i s GLY 16 N -3.67 -0.46 0.00 0.20 0.00 -1.20 -1.12 107.32 101.07 1g3i s GLY 16 Ca 0.32 1.47 0.00 0.00 0.00 0.00 0.00 44.72 46.51 1g3i s GLY 16 CO 0.19 0.85 0.00 2.09 0.00 0.00 0.00 173.10 176.24 1g3i n ASP 17 N 0.62 0.00 -2.47 1.64 5.75 -1.17 -1.63 116.55 119.29 1g3i n ASP 17 Ca -0.15 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.62 1g3i n ASP 17 Cb 0.58 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.78 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 1.85 1.52 3.27 6.12 0.00 -0.93 -4.14 105.19 112.88 1g3i n GLY 18 Ca 0.00 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 0.11 2.60 -0.71 1.61 0.74 -1.26 0.38 119.66 123.12 1g3i s GLN 19 Ca 0.08 -1.44 -0.25 0.00 0.05 0.00 0.00 55.36 53.80 1g3i s GLN 19 Cb 0.37 -3.76 0.05 0.00 1.10 0.00 0.00 33.01 30.77 1g3i s GLN 19 CO -0.11 -0.93 1.13 0.08 -0.55 0.00 0.00 175.29 174.91 1g3i s VAL 20 N 1.42 4.02 -0.09 1.34 1.01 0.19 -4.62 120.40 123.67 1g3i s VAL 20 Ca 0.03 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 1g3i s VAL 20 Cb -0.23 -4.81 -0.05 0.00 0.00 0.00 0.00 36.38 31.30 1g3i s VAL 20 CO 0.02 -1.67 0.39 -0.44 0.00 0.00 0.00 175.10 173.41 1g3i s SER 21 N 3.73 6.65 -0.28 3.32 0.01 -1.26 -1.64 113.70 124.22 1g3i s SER 21 Ca 0.29 0.77 0.02 0.00 1.31 0.00 0.00 55.95 58.34 1g3i s SER 21 Cb -0.12 -2.24 0.08 0.00 0.21 0.00 0.00 66.02 63.95 1g3i s SER 21 CO 0.12 0.15 -0.01 -0.22 0.41 0.00 0.00 173.24 173.70 1g3i s LEU 22 N -0.04 3.26 0.00 2.44 2.96 -0.72 -4.93 118.68 121.65 1g3i s LEU 22 Ca 0.22 -1.57 0.00 0.00 -0.22 0.00 0.00 54.13 52.57 1g3i s LEU 22 Cb -0.15 -1.30 0.00 0.00 0.50 0.00 0.00 46.19 45.24 1g3i s LEU 22 CO 0.09 -0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.43 1g3i n GLY 23 N 4.55 2.10 0.01 7.98 0.00 -1.26 -1.91 105.19 116.66 1g3i n GLY 23 Ca -0.06 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 10.04 1.77 -4.94 1.61 3.02 -1.26 -5.04 115.26 120.45 1g3i n ASN 24 Ca 0.00 -1.99 -0.24 0.00 -0.03 0.00 0.00 54.58 52.32 1g3i n ASN 24 Cb 0.00 -0.04 0.01 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.05 1.87 -0.23 3.41 -4.23 -0.80 -5.12 115.64 109.49 1g3i s THR 25 Ca 0.03 -1.34 0.01 0.00 -1.18 0.00 0.00 61.69 59.21 1g3i s THR 25 Cb 0.03 -2.21 0.06 0.00 1.34 0.00 0.00 72.50 71.71 1g3i s THR 25 CO 0.00 0.00 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.32 1g3i s VAL 26 N -2.72 1.68 0.05 2.29 1.01 -1.26 -1.75 120.40 119.69 1g3i s VAL 26 Ca 0.43 -1.27 0.14 0.00 0.00 0.00 0.00 61.98 61.28 1g3i s VAL 26 Cb -0.03 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.48 1g3i s VAL 26 CO 0.27 -0.04 1.50 -0.03 0.00 0.00 0.00 175.10 176.80 1g3i h MET 27 N 7.92 0.00 -1.39 2.72 -1.53 -1.66 -3.47 114.93 117.52 1g3i h MET 27 Ca -0.20 0.00 0.12 0.00 -3.44 0.00 0.00 59.70 56.19 1g3i h MET 27 Cb 1.07 0.00 -0.29 0.00 -0.55 0.00 0.00 31.60 31.83 1g3i h MET 27 CO 0.43 0.60 0.58 0.21 0.14 0.00 0.00 176.91 178.87 1g3i s LYS 28 N -3.15 0.31 -0.33 0.39 2.20 -1.21 -5.01 119.74 112.94 1g3i s LYS 28 Ca 0.02 0.42 0.06 0.00 -0.36 0.00 0.00 55.97 56.11 1g3i s LYS 28 Cb 0.10 0.12 0.46 0.00 -1.51 0.00 0.00 37.83 36.99 1g3i s LYS 28 CO 0.75 -0.05 1.24 0.41 -0.36 0.00 0.00 175.35 177.34 1g3i n GLY 29 N 2.52 6.34 0.00 5.54 0.00 -1.25 0.55 105.19 118.89 1g3i n GLY 29 Ca -0.14 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.22 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 -0.70 0.00 -4.22 1.61 0.23 0.16 -4.63 115.26 107.70 1g3i n ASN 30 Ca 0.45 -0.60 -0.36 0.00 -0.53 0.00 0.00 54.58 53.53 1g3i n ASN 30 Cb 0.92 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.68 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 -3.67 -2.55 -2.53 0.00 -1.12 -4.86 120.51 105.77 1g3i n ALA 31 Ca 0.00 -0.47 -0.40 0.00 0.00 0.00 0.00 53.44 52.57 1g3i n ALA 31 Cb 0.15 -1.47 -0.10 0.00 0.00 0.00 0.00 19.45 18.04 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 -2.31 3.61 0.00 0.00 0.52 -1.26 -4.26 118.95 115.25 1g3i s ARG 32 Ca 0.52 -0.44 0.22 0.00 -0.52 0.00 0.00 55.73 55.50 1g3i s ARG 32 Cb -0.28 -3.78 -0.04 0.00 0.52 0.00 0.00 34.95 31.38 1g3i s ARG 32 CO 0.72 -0.45 1.05 1.63 0.02 0.00 0.00 175.30 178.26 1g3i n LYS 33 N 5.27 0.46 -3.99 3.54 5.02 -1.26 -4.81 118.16 122.38 1g3i n LYS 33 Ca -0.11 -0.37 -0.30 0.00 -2.02 0.00 0.00 58.31 55.52 1g3i n LYS 33 Cb 0.50 -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 -2.80 1.58 0.44 -0.18 1.01 -1.26 -1.91 120.40 117.28 1g3i s VAL 34 Ca 0.13 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.31 1g3i s VAL 34 Cb 0.17 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1g3i s VAL 34 CO 0.74 0.26 0.20 -0.13 0.00 0.00 0.00 175.10 176.16 1g3i s ARG 35 N 1.44 2.23 -0.11 2.72 1.81 0.51 -4.92 118.95 122.64 1g3i s ARG 35 Ca 0.01 -1.92 -0.02 0.00 -1.72 0.00 0.00 55.73 52.09 1g3i s ARG 35 Cb -0.15 -1.97 -0.03 0.00 -0.45 0.00 0.00 34.95 32.35 1g3i s ARG 35 CO -0.09 -0.22 -0.05 1.03 -0.68 0.00 0.00 175.30 175.30 1g3i s ARG 36 N -3.96 3.20 0.13 3.54 0.52 -1.26 -1.62 118.95 119.49 1g3i s ARG 36 Ca 0.37 -0.52 0.10 0.00 -0.52 0.00 0.00 55.73 55.16 1g3i s ARG 36 Cb 0.03 -2.76 -0.04 0.00 0.52 0.00 0.00 34.95 32.70 1g3i s ARG 36 CO 0.21 0.48 -0.24 -0.51 0.02 0.00 0.00 175.30 175.26 1g3i s LEU 37 N -0.30 2.34 -0.79 2.53 1.43 -0.35 -4.79 118.68 118.74 1g3i s LEU 37 Ca 0.05 -0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 52.36 1g3i s LEU 37 Cb -0.13 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 1g3i s LEU 37 CO 0.02 0.11 0.69 0.00 0.23 0.00 0.00 176.35 177.40 1g3i n TYR 38 N 0.83 -1.77 -0.58 0.29 4.19 -1.26 -1.90 117.16 116.96 1g3i n TYR 38 Ca -0.17 0.64 0.00 0.00 3.31 0.00 0.00 57.90 61.68 1g3i n TYR 38 Cb 0.54 -3.82 0.00 0.00 0.49 0.00 0.00 39.34 36.55 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 -2.73 -3.37 0.00 2.98 3.02 -1.26 -1.51 115.26 112.39 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 0.60 -2.26 0.00 0.00 -0.61 0.00 0.00 39.78 37.50 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 0.50 1.98 0.10 7.41 0.00 -1.14 -5.04 105.19 109.00 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 -0.39 0.68 -4.37 1.61 4.01 -0.57 -4.98 118.16 114.15 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 1.38 -0.09 -0.18 -7.23 -0.80 -4.31 120.40 106.66 1g3i s VAL 42 Ca -0.13 -1.22 -0.05 0.00 -1.81 0.00 0.00 61.98 58.76 1g3i s VAL 42 Cb 0.07 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.72 1g3i s VAL 42 CO 0.79 -0.00 0.12 -0.76 -0.31 0.00 0.00 175.10 174.95 1g3i s LEU 43 N -1.43 4.25 -0.03 1.32 1.43 0.86 -1.21 118.68 123.87 1g3i s LEU 43 Ca 0.03 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1g3i s LEU 43 Cb -0.09 -2.12 0.03 0.00 0.03 0.00 0.00 46.19 44.04 1g3i s LEU 43 CO 0.02 0.38 0.02 0.00 0.23 0.00 0.00 176.35 177.00 1g3i s ALA 44 N -1.06 0.21 -0.09 4.21 0.00 -0.64 -1.39 121.76 122.99 1g3i s ALA 44 Ca 0.17 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.38 1g3i s ALA 44 Cb -0.12 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1g3i s ALA 44 CO 0.06 -0.11 -0.14 0.20 0.00 0.00 0.00 175.76 175.77 1g3i s GLY 45 N 1.10 0.95 0.20 0.00 0.00 0.41 -0.36 107.32 109.61 1g3i s GLY 45 Ca -0.09 -0.60 0.08 0.00 0.00 0.00 0.00 44.72 44.11 1g3i s GLY 45 CO -0.02 0.18 0.02 -0.11 0.00 0.00 0.00 173.10 173.16 1g3i s PHE 46 N 0.85 2.83 -0.23 1.90 -0.71 -0.80 0.04 117.98 121.85 1g3i s PHE 46 Ca -0.10 -0.15 -0.10 0.00 -1.04 0.00 0.00 56.93 55.54 1g3i s PHE 46 Cb -0.15 -1.34 0.09 0.00 -1.21 0.00 0.00 43.02 40.41 1g3i s PHE 46 CO 0.01 0.54 0.52 0.00 -1.34 0.00 0.00 175.22 174.96 1g3i s ALA 47 N -1.90 -1.49 0.00 1.99 0.00 -0.67 -4.89 121.76 114.81 1g3i s ALA 47 Ca 0.29 1.88 0.00 0.00 0.00 0.00 0.00 51.96 54.13 1g3i s ALA 47 Cb -0.08 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1g3i s ALA 47 CO 0.19 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1g3i n GLY 48 N 4.99 -0.11 3.61 0.00 0.00 -1.26 -0.30 105.19 112.12 1g3i n GLY 48 Ca -0.14 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 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 1.36 0.00 -0.02 0.00 0.16 -4.84 107.32 103.98 1g3i s GLY 49 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1g3i s GLY 49 CO 0.00 2.42 0.00 -1.30 0.00 0.00 0.00 173.10 174.22 1g3i n THR 50 N 6.54 0.00 0.00 0.90 -2.24 -1.26 0.36 114.28 118.58 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 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 -2.97 -0.23 0.03 6.98 0.00 -1.26 -3.19 120.51 119.87 1g3i n ALA 51 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1g3i n ALA 51 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.62 0.07 0.12 0.00 9.92 0.15 -0.54 116.55 124.65 1g3i n ASP 52 Ca 0.00 0.35 -0.10 0.00 -0.53 0.00 0.00 54.79 54.51 1g3i n ASP 52 Cb 0.00 -0.34 -0.06 0.00 -0.64 0.00 0.00 41.12 40.08 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 1.18 -0.38 -0.36 2.24 0.00 -0.06 -3.20 119.26 118.70 1g3i h ALA 53 Ca 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1g3i h ALA 53 Cb 0.45 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1g3i h ALA 53 CO 0.00 -0.41 -0.06 0.74 0.00 0.00 0.00 179.25 179.52 1g3i h PHE 54 N -0.99 0.75 -0.09 0.00 0.05 -0.78 -1.16 116.94 114.73 1g3i h PHE 54 Ca -0.04 -0.15 0.03 0.00 3.82 0.00 0.00 57.97 61.62 1g3i h PHE 54 Cb 0.47 -0.19 -0.00 0.00 2.00 0.00 0.00 35.95 38.23 1g3i h PHE 54 CO 0.04 0.81 0.41 1.79 -0.18 0.00 0.00 178.31 181.18 1g3i h THR 55 N 0.47 0.07 0.00 -1.55 1.35 -1.33 0.43 112.91 112.35 1g3i h THR 55 Ca 0.09 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.94 1g3i h THR 55 Cb 0.56 0.61 -0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1g3i h THR 55 CO 0.03 0.00 -1.78 -0.11 -0.25 0.00 0.00 175.52 173.41 1g3i n LEU 56 N -3.02 0.00 -0.05 3.87 0.00 -1.02 -3.52 117.00 113.27 1g3i n LEU 56 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.88 1g3i n LEU 56 Cb 0.48 0.02 -0.11 0.00 0.00 0.00 0.00 43.42 43.81 1g3i n LEU 56 CO 0.15 0.02 0.47 0.15 0.00 0.00 0.00 177.39 178.18 1g3i h PHE 57 N 0.00 -0.01 0.00 1.96 3.57 0.90 -2.93 116.94 120.43 1g3i h PHE 57 Ca -0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1g3i h PHE 57 Cb 0.83 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1g3i h PHE 57 CO 0.00 0.77 0.00 0.93 -2.23 0.00 0.00 178.31 177.78 1g3i h GLU 58 N -0.82 0.00 0.00 1.11 4.39 -0.62 -2.16 114.58 116.48 1g3i h GLU 58 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1g3i h GLU 58 Cb 0.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1g3i h GLU 58 CO 0.00 0.00 -0.14 1.25 -1.16 0.00 0.00 179.01 178.96 1g3i h LEU 59 N 0.00 0.00 0.00 1.33 5.85 -1.59 -3.07 115.31 117.83 1g3i h LEU 59 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1g3i h LEU 59 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1g3i h LEU 59 CO 0.00 0.01 -1.39 0.33 -0.34 0.00 0.00 178.44 177.05 1g3i n PHE 60 N -2.60 0.14 -0.03 1.25 7.35 -0.85 -3.86 117.46 118.87 1g3i n PHE 60 Ca 0.04 0.04 -0.16 0.00 -0.76 0.00 0.00 57.45 56.61 1g3i n PHE 60 Cb 0.48 -0.39 -0.08 0.00 0.35 0.00 0.00 39.48 39.84 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 0.59 0.42 -4.13 4.81 -1.38 -2.81 114.58 112.09 1g3i h GLU 61 Ca 0.00 -0.49 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1g3i h GLU 61 Cb 0.79 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 1g3i h GLU 61 CO 0.00 1.11 -0.49 0.00 -0.73 0.00 0.00 179.01 178.90 1g3i h ARG 62 N 0.23 -0.90 0.00 1.92 3.08 -1.68 -0.30 114.38 116.74 1g3i h ARG 62 Ca -0.04 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1g3i h ARG 62 Cb 1.23 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.48 1g3i h ARG 62 CO 0.12 -0.60 0.10 1.63 -1.07 0.00 0.00 179.97 180.15 1g3i n LYS 63 N -5.54 0.02 -0.12 0.04 4.01 -1.22 -0.84 118.16 114.51 1g3i n LYS 63 Ca -0.11 0.44 -0.24 0.00 -0.51 0.00 0.00 58.31 57.89 1g3i n LYS 63 Cb 0.44 -1.65 -0.11 0.00 -0.51 0.00 0.00 35.03 33.21 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 -1.51 1.89 0.18 -0.35 4.77 -0.25 -3.76 117.00 117.97 1g3i n LEU 64 Ca -0.00 0.40 0.04 0.00 -0.03 0.00 0.00 56.01 56.42 1g3i n LEU 64 Cb 0.10 -0.91 0.46 0.00 -2.33 0.00 0.00 43.42 40.74 1g3i n LEU 64 CO 0.01 0.35 0.90 -0.33 -1.33 0.00 0.00 177.39 176.99 1g3i h GLU 65 N -1.00 0.09 -0.09 3.23 5.08 -0.53 -0.84 114.58 120.53 1g3i h GLU 65 Ca -0.46 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1g3i h GLU 65 Cb 1.39 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1g3i h GLU 65 CO -0.28 0.26 0.00 0.00 -1.00 0.00 0.00 179.01 177.99 1g3i n MET 66 N -4.30 1.25 -2.50 2.33 0.00 -0.02 -3.95 117.12 109.93 1g3i n MET 66 Ca -0.02 -0.39 -0.00 0.00 0.00 0.00 0.00 57.70 57.29 1g3i n MET 66 Cb 0.25 -1.21 0.06 0.00 0.00 0.00 0.00 33.22 32.32 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 -0.29 0.24 -2.83 3.17 8.25 -0.41 -5.01 115.22 118.34 1g3i n HIS 67 Ca 0.09 -1.71 -0.13 0.00 -0.26 0.00 0.00 57.72 55.71 1g3i n HIS 67 Cb 0.12 0.24 -0.01 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.62 -2.68 -2.33 -0.41 6.02 -1.12 -1.09 117.38 115.14 1g3i n GLN 68 Ca -0.01 0.35 -0.13 0.00 -0.01 0.00 0.00 57.00 57.20 1g3i n GLN 68 Cb 0.86 -4.94 -0.00 0.00 1.02 0.00 0.00 30.24 27.18 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 -0.82 -0.14 3.48 1.08 0.00 -0.68 -4.93 105.19 103.19 1g3i n GLY 69 Ca -0.05 -0.33 -0.44 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 -4.01 4.79 0.00 1.61 8.25 -0.25 -4.91 115.22 120.70 1g3i n HIS 70 Ca -0.14 -3.15 0.00 0.00 -0.26 0.00 0.00 57.72 54.18 1g3i n HIS 70 Cb 0.61 -2.36 0.00 0.00 1.12 0.00 0.00 29.99 29.36 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 6.63 0.00 -0.53 2.41 7.94 -1.26 -0.39 117.00 131.80 1g3i n LEU 71 Ca 0.42 0.23 0.40 0.00 -1.11 0.00 0.00 56.01 55.94 1g3i n LEU 71 Cb 0.44 0.00 0.61 0.00 0.53 0.00 0.00 43.42 45.00 1g3i n LEU 71 CO 0.69 0.00 1.10 -0.11 -1.11 0.00 0.00 177.39 177.96 1g3i n LEU 72 N -0.50 0.01 -0.05 -1.96 7.94 -1.26 -1.04 117.00 120.13 1g3i n LEU 72 Ca 0.00 0.76 -0.03 0.00 -1.11 0.00 0.00 56.01 55.63 1g3i n LEU 72 Cb 0.00 -0.38 -0.01 0.00 0.53 0.00 0.00 43.42 43.56 1g3i n LEU 72 CO 0.00 -0.76 -0.21 0.11 -1.11 0.00 0.00 177.39 175.41 1g3i h LYS 73 N 0.00 0.00 -1.30 1.96 1.79 -1.68 -3.32 116.57 114.02 1g3i h LYS 73 Ca 0.70 0.00 0.45 0.00 -2.18 0.00 0.00 60.65 59.63 1g3i h LYS 73 Cb 2.80 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 33.32 1g3i h LYS 73 CO -0.03 0.00 0.84 -1.13 -1.08 0.00 0.00 179.45 178.05 1g3i n SER 74 N -4.13 0.20 0.43 0.86 3.41 0.47 0.11 113.62 114.97 1g3i n SER 74 Ca -0.04 1.31 -0.17 0.00 -0.26 0.00 0.00 58.87 59.71 1g3i n SER 74 Cb 0.16 -0.64 -0.08 0.00 -0.26 0.00 0.00 64.21 63.39 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 1.51 -1.21 -0.94 7.33 0.00 -1.44 -1.88 119.26 122.63 1g3i h ALA 75 Ca 0.83 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 55.67 1g3i h ALA 75 Cb 2.68 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 20.80 1g3i h ALA 75 CO -0.44 -1.13 0.53 0.28 0.00 0.00 0.00 179.25 178.49 1g3i h VAL 76 N -1.18 0.72 -0.14 0.00 2.07 0.67 0.52 116.25 118.90 1g3i h VAL 76 Ca -0.11 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1g3i h VAL 76 Cb 0.85 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1g3i h VAL 76 CO 0.19 0.13 -0.07 -0.33 0.02 0.00 0.00 177.57 177.51 1g3i h GLU 77 N 0.71 0.21 -0.06 1.57 5.08 -0.85 -0.26 114.58 120.97 1g3i h GLU 77 Ca 0.53 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.81 1g3i h GLU 77 Cb 0.79 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1g3i h GLU 77 CO -0.38 0.29 -0.14 1.25 -1.00 0.00 0.00 179.01 179.04 1g3i h LEU 78 N 0.20 0.23 -0.02 1.33 5.85 0.80 -3.27 115.31 120.43 1g3i h LEU 78 Ca 0.05 -0.57 0.04 0.00 0.84 0.00 0.00 57.88 58.23 1g3i h LEU 78 Cb 0.26 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1g3i h LEU 78 CO 0.01 0.76 -0.30 0.00 -0.34 0.00 0.00 178.44 178.58 1g3i h ALA 79 N 0.47 -0.40 -1.06 1.25 0.00 -0.45 -1.16 119.26 117.91 1g3i h ALA 79 Ca 0.00 -0.00 0.31 0.00 0.00 0.00 0.00 54.91 55.21 1g3i h ALA 79 Cb 0.73 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1g3i h ALA 79 CO 0.03 -0.80 0.99 1.57 0.00 0.00 0.00 179.25 181.04 1g3i h LYS 80 N -0.43 0.00 0.00 0.00 5.09 -1.11 0.48 116.57 120.60 1g3i h LYS 80 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.81 1g3i h LYS 80 Cb 0.53 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.86 1g3i h LYS 80 CO -0.27 0.00 0.00 -0.44 -2.09 0.00 0.00 179.45 176.65 1g3i h ASP 81 N 0.00 0.00 0.07 7.07 3.45 -1.26 -1.75 116.42 124.00 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 2.47 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 41.24 1g3i h ASP 81 CO -0.01 0.00 -1.58 0.79 -1.57 0.00 0.00 179.24 176.87 1g3i n TRP 82 N -2.93 0.05 -2.71 4.55 8.01 0.17 -4.00 117.44 120.58 1g3i n TRP 82 Ca -0.01 0.02 -0.41 0.00 -1.31 0.00 0.00 57.50 55.78 1g3i n TRP 82 Cb 0.17 -0.36 0.02 0.00 -2.01 0.00 0.00 31.31 29.13 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 -2.02 5.23 0.00 -0.99 1.74 -0.66 -4.77 116.66 115.19 1g3i n ARG 83 Ca -0.01 -4.62 0.00 0.00 -0.77 0.00 0.00 57.85 52.45 1g3i n ARG 83 Cb 0.49 -2.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.44 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 0.28 0.00 -0.02 0.55 -2.24 -1.26 -4.96 114.28 106.63 1g3i n THR 84 Ca 0.42 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.24 1g3i n THR 84 Cb 0.28 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.41 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 -3.91 3.42 9.92 -1.26 -4.77 116.55 122.00 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 1.39 -0.15 0.00 -0.64 0.00 0.00 41.12 41.73 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 -2.75 1.32 1.04 -1.24 3.52 -1.26 -5.12 118.95 114.46 1g3i s ARG 86 Ca -0.05 -1.77 -0.15 0.00 -0.13 0.00 0.00 55.73 53.63 1g3i s ARG 86 Cb 0.07 -2.83 0.21 0.00 -1.56 0.00 0.00 34.95 30.84 1g3i s ARG 86 CO 0.52 -0.99 1.14 0.00 -0.81 0.00 0.00 175.30 175.16 1g3i s ALA 87 N 0.89 1.21 -0.82 6.12 0.00 -1.26 -4.93 121.76 122.97 1g3i s ALA 87 Ca 0.12 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1g3i s ALA 87 Cb -0.20 -2.98 0.24 0.00 0.00 0.00 0.00 23.12 20.19 1g3i s ALA 87 CO -0.11 -2.89 0.88 -0.11 0.00 0.00 0.00 175.76 173.54 1g3i n LEU 88 N -4.21 4.36 0.00 0.00 0.00 -1.26 -5.03 117.00 110.87 1g3i n LEU 88 Ca 0.09 -5.28 0.00 0.00 0.00 0.00 0.00 56.01 50.82 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 1.52 0.00 0.00 1.96 1.74 -1.26 -4.67 116.66 115.95 1g3i n ARG 89 Ca 0.25 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 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 6.85 0.00 -4.31 5.56 -0.00 -1.26 -5.07 118.16 119.94 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 2.12 -1.08 -5.58 1.02 -0.42 -5.02 118.68 109.72 1g3i s LEU 91 Ca 0.00 -0.63 -0.20 0.00 0.02 0.00 0.00 54.13 53.32 1g3i s LEU 91 Cb 0.00 -1.46 -0.07 0.00 0.02 0.00 0.00 46.19 44.68 1g3i s LEU 91 CO 0.00 0.03 1.98 -0.62 0.02 0.00 0.00 176.35 177.75 1g3i n GLU 92 N 4.43 2.05 0.00 1.70 -0.58 -1.26 -3.69 120.64 123.29 1g3i n GLU 92 Ca -0.21 -2.33 0.00 0.00 -0.42 0.00 0.00 57.16 54.21 1g3i n GLU 92 Cb 0.51 -3.24 0.00 0.00 -0.57 0.00 0.00 31.44 28.14 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 8.63 0.00 -2.70 0.62 0.00 -1.26 -0.66 120.51 125.14 1g3i n ALA 93 Ca 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.84 1g3i n ALA 93 Cb 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.76 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 0.45 0.01 0.00 -1.94 0.59 -1.62 119.30 114.79 1g3i s MET 94 Ca 0.00 -0.83 0.08 0.00 -1.71 0.00 0.00 55.69 53.23 1g3i s MET 94 Cb 0.00 0.04 -0.02 0.00 2.01 0.00 0.00 34.83 36.86 1g3i s MET 94 CO 0.00 -0.04 -0.23 -1.17 -0.01 0.00 0.00 175.02 173.57 1g3i s LEU 95 N -1.93 2.11 -0.25 -0.03 2.96 0.11 -1.67 118.68 119.98 1g3i s LEU 95 Ca -0.08 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.38 1g3i s LEU 95 Cb -0.05 -1.14 0.06 0.00 0.50 0.00 0.00 46.19 45.56 1g3i s LEU 95 CO -0.03 0.24 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.50 1g3i s ILE 96 N -0.67 2.11 -0.05 6.68 1.01 0.11 0.23 121.20 130.61 1g3i s ILE 96 Ca 0.09 -1.57 0.05 0.00 0.00 0.00 0.00 60.65 59.22 1g3i s ILE 96 Cb -0.09 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1g3i s ILE 96 CO 0.01 -0.01 -0.20 0.68 0.00 0.00 0.00 174.94 175.41 1g3i s VAL 97 N 1.14 2.51 -0.21 2.92 -7.23 -0.44 -0.45 120.40 118.64 1g3i s VAL 97 Ca -0.08 -0.91 -0.21 0.00 -1.81 0.00 0.00 61.98 58.96 1g3i s VAL 97 Cb -0.20 -1.95 0.06 0.00 0.56 0.00 0.00 36.38 34.85 1g3i s VAL 97 CO -0.05 0.57 0.60 0.00 -0.31 0.00 0.00 175.10 175.91 1g3i s ALA 98 N -0.40 -1.49 0.21 1.32 0.00 -0.49 0.26 121.76 121.17 1g3i s ALA 98 Ca 0.04 1.64 0.01 0.00 0.00 0.00 0.00 51.96 53.65 1g3i s ALA 98 Cb -0.12 -0.90 -0.00 0.00 0.00 0.00 0.00 23.12 22.10 1g3i s ALA 98 CO 0.02 -0.29 0.04 -0.40 0.00 0.00 0.00 175.76 175.13 1g3i n ASP 99 N 2.60 1.71 0.32 0.00 3.85 0.28 -0.10 116.55 125.22 1g3i n ASP 99 Ca -0.14 -2.03 0.14 0.00 -0.71 0.00 0.00 54.79 52.05 1g3i n ASP 99 Cb 0.56 0.36 0.75 0.00 -1.35 0.00 0.00 41.12 41.44 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 -1.95 -3.22 114.58 113.63 1g3i h GLU 100 Ca -0.17 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.07 1g3i h GLU 100 Cb 0.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1g3i h GLU 100 CO 0.27 0.00 -1.53 0.36 0.07 0.00 0.00 179.01 178.18 1g3i n LYS 101 N -2.80 0.34 -4.53 1.06 2.85 -1.26 -5.04 118.16 108.77 1g3i n LYS 101 Ca -0.02 0.14 -0.32 0.00 -1.05 0.00 0.00 58.31 57.07 1g3i n LYS 101 Cb 0.40 -1.07 -0.05 0.00 -0.65 0.00 0.00 35.03 33.65 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 -2.37 2.22 -0.25 -1.58 0.41 -1.22 -5.15 118.70 110.77 1g3i s GLU 102 Ca -0.21 -2.32 -0.13 0.00 -0.41 0.00 0.00 54.97 51.90 1g3i s GLU 102 Cb 0.07 -1.68 0.08 0.00 -1.78 0.00 0.00 34.13 30.82 1g3i s GLU 102 CO 0.28 -0.45 0.60 -1.54 -0.49 0.00 0.00 175.26 173.65 1g3i s SER 103 N -4.00 -0.81 0.23 -0.19 1.04 -1.26 -0.55 113.70 108.15 1g3i s SER 103 Ca 0.12 1.32 0.05 0.00 0.48 0.00 0.00 55.95 57.92 1g3i s SER 103 Cb 0.00 1.29 -0.02 0.00 0.10 0.00 0.00 66.02 67.39 1g3i s SER 103 CO 0.07 -0.22 0.16 0.18 0.98 0.00 0.00 173.24 174.41 1g3i n LEU 104 N 4.44 0.00 -3.73 2.42 4.77 0.73 -4.49 117.00 121.14 1g3i n LEU 104 Ca -0.20 -2.05 -0.14 0.00 -0.03 0.00 0.00 56.01 53.59 1g3i n LEU 104 Cb 0.57 0.99 -0.15 0.00 -2.33 0.00 0.00 43.42 42.50 1g3i n LEU 104 CO 0.01 -0.33 -0.22 -0.51 -1.33 0.00 0.00 177.39 175.00 1g3i s ILE 105 N -2.80 -0.10 -0.07 -0.08 2.07 -1.05 -1.33 121.20 117.83 1g3i s ILE 105 Ca 0.23 0.22 0.03 0.00 -1.41 0.00 0.00 60.65 59.73 1g3i s ILE 105 Cb 0.01 -0.26 0.01 0.00 0.13 0.00 0.00 42.46 42.34 1g3i s ILE 105 CO 0.16 0.09 -0.17 -0.63 -1.91 0.00 0.00 174.94 172.49 1g3i s ILE 106 N 1.46 1.49 0.04 2.00 1.01 0.14 -1.02 121.20 126.32 1g3i s ILE 106 Ca -0.06 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 59.89 1g3i s ILE 106 Cb -0.12 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1g3i s ILE 106 CO -0.06 0.43 0.18 0.42 0.00 0.00 0.00 174.94 175.91 1g3i s THR 107 N 0.44 5.23 -2.00 2.92 -4.23 -1.03 0.08 115.64 117.05 1g3i s THR 107 Ca -0.14 -0.40 0.08 0.00 -1.18 0.00 0.00 61.69 60.05 1g3i s THR 107 Cb -0.16 -3.51 0.23 0.00 1.34 0.00 0.00 72.50 70.40 1g3i s THR 107 CO 0.05 0.19 0.89 0.61 -0.54 0.00 0.00 174.62 175.83 1g3i n GLY 108 N 0.52 -0.39 0.09 3.99 0.00 -0.64 -0.79 105.19 107.96 1g3i n GLY 108 Ca -0.07 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.81 0.45 0.00 -0.61 5.41 -1.26 -1.30 119.36 121.23 1g3i n ILE 109 Ca 0.06 -0.53 0.00 0.00 1.00 0.00 0.00 62.75 63.28 1g3i n ILE 109 Cb 0.03 -0.24 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 1.20 0.77 3.58 7.39 0.00 0.03 -4.88 105.19 113.28 1g3i n GLY 110 Ca -0.01 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.95 -0.33 -0.02 1.61 3.84 -1.25 -4.88 116.67 114.69 1g3i s ASP 111 Ca 0.00 0.33 0.08 0.00 -0.00 0.00 0.00 52.55 52.96 1g3i s ASP 111 Cb 0.00 0.28 -0.02 0.00 -1.38 0.00 0.00 42.92 41.80 1g3i s ASP 111 CO 0.00 -0.33 -0.25 -0.69 -0.00 0.00 0.00 175.17 173.90 1g3i s VAL 112 N -1.28 2.14 -0.04 2.11 1.01 -1.26 -2.47 120.40 120.60 1g3i s VAL 112 Ca 0.00 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.90 1g3i s VAL 112 Cb -0.01 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1g3i s VAL 112 CO -0.00 0.56 -0.12 -0.69 0.00 0.00 0.00 175.10 174.85 1g3i s VAL 113 N -0.64 1.02 -0.05 2.92 1.01 -0.19 -5.00 120.40 119.47 1g3i s VAL 113 Ca 0.10 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 1g3i s VAL 113 Cb -0.10 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1g3i s VAL 113 CO -0.01 0.31 0.20 -1.10 0.00 0.00 0.00 175.10 174.51 1g3i s GLN 114 N 0.29 3.50 0.87 2.72 -0.21 -1.26 -2.53 119.66 123.04 1g3i s GLN 114 Ca -0.06 -0.14 -0.14 0.00 0.02 0.00 0.00 55.36 55.03 1g3i s GLN 114 Cb -0.11 -3.14 0.23 0.00 1.00 0.00 0.00 33.01 30.99 1g3i s GLN 114 CO 0.02 0.71 0.51 -2.30 -2.12 0.00 0.00 175.29 172.10 1g3i n PRO 115 N 1.45 -3.65 -4.12 2.91 -0.02 -1.26 -5.05 135.00 125.25 1g3i n PRO 115 Ca -0.15 -0.85 -0.27 0.00 -2.02 0.00 0.00 63.50 60.21 1g3i n PRO 115 Cb 0.54 -1.12 -0.04 0.00 -0.02 0.00 0.00 33.50 32.85 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 -4.19 2.25 0.07 -0.52 1.03 -1.26 -4.89 118.70 111.18 1g3i s GLU 116 Ca 0.39 -2.03 -0.00 0.00 0.03 0.00 0.00 54.97 53.36 1g3i s GLU 116 Cb -0.07 -1.96 0.14 0.00 -0.80 0.00 0.00 34.13 31.45 1g3i s GLU 116 CO 0.33 -0.40 0.34 -0.85 -1.33 0.00 0.00 175.26 173.34 1g3i n GLU 117 N -1.50 -0.02 0.26 -4.83 0.00 -1.26 0.12 120.64 113.41 1g3i n GLU 117 Ca -0.05 0.33 0.14 0.00 0.00 0.00 0.00 57.16 57.58 1g3i n GLU 117 Cb 0.65 -0.51 0.61 0.00 0.00 0.00 0.00 31.44 32.19 1g3i n GLU 117 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 1g3i h ASP 118 N 0.00 0.00 -5.67 -1.84 3.04 -1.98 -3.47 116.42 106.50 1g3i h ASP 118 Ca 0.12 0.00 -0.33 0.00 -3.24 0.00 0.00 57.03 53.59 1g3i h ASP 118 Cb 0.24 0.00 0.16 0.00 -1.04 0.00 0.00 39.33 38.69 1g3i h ASP 118 CO -0.21 0.10 -0.80 0.00 -2.04 0.00 0.00 179.24 176.29 1g3i n GLN 119 N -3.25 -5.45 -5.13 4.15 1.13 0.33 -4.64 117.38 104.52 1g3i n GLN 119 Ca 0.00 0.82 -0.32 0.00 -1.94 0.00 0.00 57.00 55.56 1g3i n GLN 119 Cb 0.34 -5.75 -0.16 0.00 0.11 0.00 0.00 30.24 24.78 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 -3.40 2.35 0.01 5.09 1.01 -1.26 -2.95 121.20 122.04 1g3i s ILE 120 Ca 0.10 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.84 1g3i s ILE 120 Cb -0.02 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 1g3i s ILE 120 CO 0.74 0.56 -0.12 -0.76 0.00 0.00 0.00 174.94 175.36 1g3i s LEU 121 N -0.05 2.07 -0.16 2.97 1.43 0.75 -4.75 118.68 120.94 1g3i s LEU 121 Ca -0.06 -0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 52.60 1g3i s LEU 121 Cb -0.15 -0.61 0.04 0.00 0.03 0.00 0.00 46.19 45.51 1g3i s LEU 121 CO 0.05 0.11 0.44 0.00 0.23 0.00 0.00 176.35 177.17 1g3i s ALA 122 N -0.46 -1.08 0.15 4.21 0.00 -1.25 0.23 121.76 123.55 1g3i s ALA 122 Ca 0.03 1.20 -0.03 0.00 0.00 0.00 0.00 51.96 53.17 1g3i s ALA 122 Cb -0.06 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1g3i s ALA 122 CO 0.00 -0.21 0.13 0.96 0.00 0.00 0.00 175.76 176.63 1g3i s ILE 123 N 0.15 0.08 0.00 0.00 -4.36 0.10 -4.83 121.20 112.34 1g3i s ILE 123 Ca -0.01 -1.79 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 1g3i s ILE 123 Cb -0.03 -2.06 0.00 0.00 1.25 0.00 0.00 42.46 41.62 1g3i s ILE 123 CO 0.01 -0.36 0.00 0.61 0.24 0.00 0.00 174.94 175.44 1g3i n GLY 124 N -0.15 -3.69 0.42 6.27 0.00 -1.26 -1.10 105.19 105.68 1g3i n GLY 124 Ca -0.05 -2.15 -0.18 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.98 0.00 1.61 4.64 -1.72 -2.36 113.55 114.73 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 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1g3i h SER 125 CO 0.00 -0.59 0.00 0.61 -0.87 0.00 0.00 176.83 175.98 1g3i n GLY 126 N -1.52 1.03 0.00 -0.77 0.00 -0.82 -4.61 105.19 98.51 1g3i n GLY 126 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.12 -0.62 0.50 -0.02 0.00 -0.89 -2.50 105.19 101.78 1g3i n GLY 127 Ca 0.00 0.00 0.38 0.00 0.00 0.00 0.00 46.02 46.40 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 0.01 0.26 1.61 3.02 -1.26 0.43 115.26 119.33 1g3i n ASN 128 Ca 0.00 0.74 -0.10 0.00 -0.03 0.00 0.00 54.58 55.19 1g3i n ASN 128 Cb 0.00 -0.37 -0.05 0.00 -0.61 0.00 0.00 39.78 38.75 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 -0.61 -0.95 3.10 0.99 -1.82 0.38 116.97 118.05 1g3i h TYR 129 Ca 0.67 -0.01 0.16 0.00 2.00 0.00 0.00 58.73 61.55 1g3i h TYR 129 Cb 2.67 0.20 -0.08 0.00 1.00 0.00 0.00 36.73 40.52 1g3i h TYR 129 CO -0.00 -0.38 0.60 0.00 -0.00 0.00 0.00 178.16 178.38 1g3i h ALA 130 N -1.65 1.77 0.35 3.88 0.00 0.29 -0.96 119.26 122.95 1g3i h ALA 130 Ca -0.07 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1g3i h ALA 130 Cb 0.51 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1g3i h ALA 130 CO 0.11 -0.06 -0.18 1.25 0.00 0.00 0.00 179.25 180.37 1g3i h LEU 131 N 0.74 -0.43 -1.39 0.00 5.85 -0.89 0.27 115.31 119.47 1g3i h LEU 131 Ca 0.50 0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.35 1g3i h LEU 131 Cb 0.78 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1g3i h LEU 131 CO -0.26 -0.30 0.51 0.28 -0.34 0.00 0.00 178.44 178.33 1g3i h SER 132 N -0.49 0.60 0.18 1.25 0.02 0.99 0.34 113.55 116.44 1g3i h SER 132 Ca -0.05 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1g3i h SER 132 Cb 0.38 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1g3i h SER 132 CO 0.07 0.35 -0.09 0.00 -1.14 0.00 0.00 176.83 176.02 1g3i h ALA 133 N 1.61 -0.25 -0.14 3.77 0.00 -0.72 -1.40 119.26 122.14 1g3i h ALA 133 Ca 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1g3i h ALA 133 Cb 0.54 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1g3i h ALA 133 CO -0.14 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 178.68 1g3i n ALA 134 N -2.44 -0.23 -0.34 0.00 0.00 0.90 -0.29 120.51 118.12 1g3i n ALA 134 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.43 1g3i n ALA 134 Cb 0.25 0.25 0.16 0.00 0.00 0.00 0.00 19.45 20.12 1g3i n ALA 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1g3i n ARG 135 N -2.44 -0.08 -0.12 0.00 1.74 0.02 0.18 116.66 115.96 1g3i n ARG 135 Ca 0.00 1.47 -0.05 0.00 -0.77 0.00 0.00 57.85 58.50 1g3i n ARG 135 Cb 0.00 -2.22 0.01 0.00 -1.02 0.00 0.00 32.46 29.24 1g3i n ARG 135 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1g3i h ALA 136 N 1.89 0.24 -0.44 7.54 0.00 -0.13 -1.66 119.26 126.70 1g3i h ALA 136 Ca 0.48 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.54 1g3i h ALA 136 Cb 0.79 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1g3i h ALA 136 CO -0.96 -0.46 0.00 1.28 0.00 0.00 0.00 179.25 179.11 1g3i n LEU 137 N -5.31 0.16 -0.26 0.00 4.32 0.47 -2.72 117.00 113.67 1g3i n LEU 137 Ca 0.02 0.74 0.20 0.00 -0.02 0.00 0.00 56.01 56.95 1g3i n LEU 137 Cb 0.22 -0.43 0.37 0.00 -1.62 0.00 0.00 43.42 41.97 1g3i n LEU 137 CO 0.15 -0.43 0.75 0.52 -1.22 0.00 0.00 177.39 177.16 1g3i n VAL 138 N -1.78 -0.33 0.11 4.08 0.31 0.71 -0.49 118.33 120.94 1g3i n VAL 138 Ca 0.00 1.62 -0.01 0.00 -0.01 0.00 0.00 64.34 65.94 1g3i n VAL 138 Cb 0.00 -2.53 -0.03 0.00 -0.91 0.00 0.00 33.84 30.37 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 -1.39 -3.37 114.58 120.32 1g3i h GLU 139 Ca 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1g3i h GLU 139 Cb 1.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1g3i h GLU 139 CO -0.65 0.71 0.00 0.09 -1.00 0.00 0.00 179.01 178.16 1g3i n ASN 140 N -3.28 2.36 -3.75 1.42 3.02 0.36 -5.05 115.26 110.34 1g3i n ASN 140 Ca 0.01 -2.02 -0.11 0.00 -0.03 0.00 0.00 54.58 52.43 1g3i n ASN 140 Cb 0.82 -0.10 -0.07 0.00 -0.61 0.00 0.00 39.78 39.82 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 -1.04 0.08 -1.11 3.41 -1.32 -0.26 -5.04 115.64 110.36 1g3i s THR 141 Ca 0.09 -0.69 -0.06 0.00 -1.21 0.00 0.00 61.69 59.83 1g3i s THR 141 Cb 0.05 -0.97 0.29 0.00 -1.51 0.00 0.00 72.50 70.36 1g3i s THR 141 CO 0.06 -0.38 1.49 -0.62 -2.21 0.00 0.00 174.62 172.96 1g3i n GLU 142 N 0.51 4.25 -4.39 7.08 -0.58 -1.26 -4.61 120.64 121.63 1g3i n GLU 142 Ca -0.18 -4.40 -0.31 0.00 -0.42 0.00 0.00 57.16 51.84 1g3i n GLU 142 Cb 0.60 -2.58 -0.10 0.00 -0.57 0.00 0.00 31.44 28.79 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 -2.20 3.11 0.30 -4.62 1.43 -1.26 -5.09 118.68 110.36 1g3i s LEU 143 Ca 0.32 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.89 1g3i s LEU 143 Cb 0.04 -1.83 -0.11 0.00 0.03 0.00 0.00 46.19 44.31 1g3i s LEU 143 CO 0.07 0.24 1.60 -0.94 0.23 0.00 0.00 176.35 177.55 1g3i s SER 144 N -1.70 6.35 0.60 2.29 1.04 -1.26 -4.78 113.70 116.23 1g3i s SER 144 Ca 0.19 2.98 0.28 0.00 0.48 0.00 0.00 55.95 59.88 1g3i s SER 144 Cb -0.11 -2.64 1.33 0.00 0.10 0.00 0.00 66.02 64.70 1g3i s SER 144 CO 0.10 -0.93 1.73 0.00 0.98 0.00 0.00 173.24 175.12 1g3i h ALA 145 N 4.69 2.37 0.09 5.32 0.00 -1.89 0.18 119.26 130.02 1g3i h ALA 145 Ca -0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1g3i h ALA 145 Cb 1.22 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1g3i h ALA 145 CO 0.78 -1.00 -0.05 1.25 0.00 0.00 0.00 179.25 180.24 1g3i h HIS 146 N 0.00 -0.12 -1.00 0.00 -0.00 -1.88 -2.71 115.15 109.44 1g3i h HIS 146 Ca 0.28 -0.00 0.22 0.00 -0.00 0.00 0.00 60.37 60.87 1g3i h HIS 146 Cb 1.65 0.04 -0.12 0.00 -0.00 0.00 0.00 27.41 28.99 1g3i h HIS 146 CO 0.00 0.11 0.60 0.93 -0.00 0.00 0.00 177.93 179.57 1g3i h GLU 147 N -1.01 0.65 0.60 5.26 5.08 -1.40 0.11 114.58 123.86 1g3i h GLU 147 Ca -0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1g3i h GLU 147 Cb 0.28 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1g3i h GLU 147 CO 0.02 0.43 -0.29 0.82 -1.00 0.00 0.00 179.01 178.99 1g3i h ILE 148 N 0.67 0.00 -0.93 3.13 2.04 -1.16 0.22 117.51 121.49 1g3i h ILE 148 Ca 0.61 -0.11 0.27 0.00 1.00 0.00 0.00 64.86 66.63 1g3i h ILE 148 Cb 1.05 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1g3i h ILE 148 CO -0.43 0.00 0.75 0.58 0.00 0.00 0.00 178.15 179.05 1g3i h VAL 149 N -0.91 0.38 0.18 1.67 2.07 -1.01 0.85 116.25 119.49 1g3i h VAL 149 Ca -0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1g3i h VAL 149 Cb 0.61 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1g3i h VAL 149 CO 0.13 0.00 -0.09 -0.08 0.02 0.00 0.00 177.57 177.56 1g3i h GLU 150 N 0.00 -0.24 -0.71 1.57 4.22 -0.59 -2.92 114.58 115.90 1g3i h GLU 150 Ca 0.44 0.02 0.15 0.00 0.08 0.00 0.00 59.36 60.05 1g3i h GLU 150 Cb 1.94 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 31.13 1g3i h GLU 150 CO -0.00 -0.16 0.13 0.87 -2.18 0.00 0.00 179.01 177.67 1g3i h LYS 151 N -0.82 0.22 -0.95 1.92 1.79 0.20 -0.75 116.57 118.18 1g3i h LYS 151 Ca -0.03 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1g3i h LYS 151 Cb 0.19 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.74 1g3i h LYS 151 CO 0.04 0.15 0.63 0.77 -1.08 0.00 0.00 179.45 179.95 1g3i h SER 152 N 0.23 1.10 -0.30 0.86 0.02 0.46 -2.45 113.55 113.47 1g3i h SER 152 Ca 0.40 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.33 1g3i h SER 152 Cb 0.67 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1g3i h SER 152 CO -0.52 0.80 0.16 -0.07 -1.14 0.00 0.00 176.83 176.06 1g3i h LEU 153 N 1.30 0.24 0.23 5.07 3.38 -0.94 -2.54 115.31 122.04 1g3i h LEU 153 Ca 0.35 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1g3i h LEU 153 Cb -0.14 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1g3i h LEU 153 CO -0.07 0.18 -0.52 -0.09 0.09 0.00 0.00 178.44 178.02 1g3i h ARG 154 N 0.33 -0.80 -0.94 1.13 2.43 -1.12 -0.09 114.38 115.32 1g3i h ARG 154 Ca 0.12 0.05 0.21 0.00 -0.81 0.00 0.00 59.98 59.56 1g3i h ARG 154 Cb 0.03 0.18 -0.18 0.00 -0.42 0.00 0.00 29.97 29.58 1g3i h ARG 154 CO -0.08 -0.53 -0.16 0.82 -1.51 0.00 0.00 179.97 178.51 1g3i h ILE 155 N -0.83 0.06 -0.62 1.20 5.03 -1.32 0.18 117.51 121.23 1g3i h ILE 155 Ca -0.02 -0.00 -0.05 0.00 -0.12 0.00 0.00 64.86 64.67 1g3i h ILE 155 Cb 0.79 0.05 -0.03 0.00 -3.03 0.00 0.00 36.82 34.61 1g3i h ILE 155 CO -0.23 0.00 0.20 0.00 -0.68 0.00 0.00 178.15 177.44 1g3i h ALA 156 N 1.94 0.81 0.00 1.87 0.00 -0.84 -2.87 119.26 120.17 1g3i h ALA 156 Ca 0.49 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1g3i h ALA 156 Cb 0.82 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1g3i h ALA 156 CO -0.94 0.47 -0.12 0.78 0.00 0.00 0.00 179.25 179.44 1g3i h GLY 157 N 0.88 0.00 -0.14 0.00 0.00 0.11 0.62 103.07 104.54 1g3i h GLY 157 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1g3i h GLY 157 CO -0.01 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.75 1g3i n ASP 158 N -3.81 0.68 0.00 0.19 10.43 -0.84 -4.03 116.55 119.18 1g3i n ASP 158 Ca -0.02 -1.68 0.00 0.00 2.57 0.00 0.00 54.79 55.66 1g3i n ASP 158 Cb 0.22 -0.06 0.00 0.00 1.84 0.00 0.00 41.12 43.12 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 -0.27 0.00 -2.93 0.53 5.41 -0.61 -5.02 119.36 116.47 1g3i n ILE 159 Ca 0.11 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.46 1g3i n ILE 159 Cb 0.15 -0.23 -0.04 0.00 -0.71 0.00 0.00 39.64 38.81 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 4.30 0.33 -1.50 0.00 0.24 -1.26 -2.33 118.33 118.12 1g3i n VAL 161 Ca 0.02 0.08 -0.08 0.00 -2.04 0.00 0.00 64.34 62.33 1g3i n VAL 161 Cb 0.50 -0.73 0.18 0.00 -1.47 0.00 0.00 33.84 32.32 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 -1.28 1.33 -3.76 6.34 3.72 -1.26 -4.96 117.46 117.59 1g3i n PHE 162 Ca 0.10 -1.73 -0.13 0.00 -0.05 0.00 0.00 57.45 55.65 1g3i n PHE 162 Cb 0.17 -0.54 -0.11 0.00 -0.94 0.00 0.00 39.48 38.07 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 -3.42 0.00 0.47 4.37 2.01 -0.98 -0.78 115.64 117.31 1g3i s THR 163 Ca 0.46 -0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.51 1g3i s THR 163 Cb 0.41 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 72.43 1g3i s THR 163 CO -0.00 -0.00 0.17 0.54 -0.69 0.00 0.00 174.62 174.64 1g3i s ASN 164 N 0.16 4.34 0.09 3.53 6.03 -1.26 -4.64 114.94 123.18 1g3i s ASN 164 Ca -0.00 -1.31 0.25 0.00 -1.03 0.00 0.00 52.86 50.77 1g3i s ASN 164 Cb -0.02 0.04 0.55 0.00 -3.03 0.00 0.00 41.25 38.79 1g3i s ASN 164 CO 0.01 -0.77 1.47 0.35 -2.03 0.00 0.00 177.10 176.13 1g3i n THR 165 N -1.35 0.25 -2.73 0.54 -2.24 -1.26 -4.65 114.28 102.83 1g3i n THR 165 Ca -0.07 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 1g3i n THR 165 Cb 0.65 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 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 -3.80 6.49 0.38 3.42 3.84 -1.26 -4.98 114.94 119.03 1g3i s ASN 166 Ca 0.09 -1.56 0.08 0.00 0.21 0.00 0.00 52.86 51.69 1g3i s ASN 166 Cb 0.15 -2.49 -0.07 0.00 -0.55 0.00 0.00 41.25 38.30 1g3i s ASN 166 CO 0.68 -1.35 -0.01 0.72 -2.79 0.00 0.00 177.10 174.34 1g3i s PHE 167 N 4.05 2.49 -0.15 0.43 -0.12 -1.26 -2.19 117.98 121.23 1g3i s PHE 167 Ca 0.38 -0.56 0.00 0.00 -0.05 0.00 0.00 56.93 56.70 1g3i s PHE 167 Cb -0.04 -1.61 0.02 0.00 -0.63 0.00 0.00 43.02 40.76 1g3i s PHE 167 CO -0.06 0.47 -0.15 0.95 -0.05 0.00 0.00 175.22 176.39 1g3i s THR 168 N -2.63 1.62 -0.12 -4.49 -4.23 -0.64 -4.99 115.64 100.16 1g3i s THR 168 Ca 0.35 -0.66 0.01 0.00 -1.18 0.00 0.00 61.69 60.21 1g3i s THR 168 Cb 0.05 -1.51 -0.01 0.00 1.34 0.00 0.00 72.50 72.37 1g3i s THR 168 CO 0.18 0.47 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.95 1g3i s ILE 169 N 1.46 2.87 -0.06 2.99 1.01 -1.26 -3.26 121.20 124.94 1g3i s ILE 169 Ca 0.05 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 60.02 1g3i s ILE 169 Cb -0.13 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 1g3i s ILE 169 CO -0.11 0.54 -0.24 -1.61 0.00 0.00 0.00 174.94 173.52 1g3i s GLU 170 N 0.27 2.56 0.35 2.79 0.41 -1.07 -4.98 118.70 119.03 1g3i s GLU 170 Ca -0.11 -0.87 0.04 0.00 -0.41 0.00 0.00 54.97 53.62 1g3i s GLU 170 Cb -0.16 -2.13 -0.06 0.00 -1.78 0.00 0.00 34.13 30.00 1g3i s GLU 170 CO 0.06 0.34 0.05 -1.83 -0.49 0.00 0.00 175.26 173.39 1g3i s GLU 171 N -0.06 1.73 -0.04 1.61 -1.05 -1.26 -1.19 118.70 118.44 1g3i s GLU 171 Ca -0.06 -1.97 0.01 0.00 -0.15 0.00 0.00 54.97 52.80 1g3i s GLU 171 Cb -0.14 -0.99 0.02 0.00 -0.44 0.00 0.00 34.13 32.58 1g3i s GLU 171 CO 0.04 -0.19 -0.06 -0.51 0.95 0.00 0.00 175.26 175.49 1g3i s LEU 172 N -3.54 1.48 0.00 1.83 1.43 -0.41 -4.99 118.68 114.48 1g3i s LEU 172 Ca 0.35 -0.16 0.25 0.00 -1.03 0.00 0.00 54.13 53.54 1g3i s LEU 172 Cb 0.08 -0.51 0.47 0.00 0.03 0.00 0.00 46.19 46.25 1g3i s LEU 172 CO 0.16 -0.02 1.42 -0.81 0.23 0.00 0.00 176.35 177.32