#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 -0.04 -0.12 12.58 2.01 -1.26 -0.79 115.64 128.03 1g3i s THR 2 Ca 0.00 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.18 1g3i s THR 2 Cb 0.00 -0.36 0.02 0.00 0.01 0.00 0.00 72.50 72.17 1g3i s THR 2 CO 0.00 0.01 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.19 1g3i s ILE 3 N 2.13 1.36 0.06 1.82 1.01 -0.06 -2.16 121.20 125.36 1g3i s ILE 3 Ca 0.04 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1g3i s ILE 3 Cb -0.14 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 1g3i s ILE 3 CO -0.05 0.42 -0.09 0.54 0.00 0.00 0.00 174.94 175.75 1g3i s VAL 4 N 1.26 0.69 -0.04 2.92 0.11 0.44 0.23 120.40 126.01 1g3i s VAL 4 Ca -0.02 -1.29 -0.01 0.00 -2.93 0.00 0.00 61.98 57.74 1g3i s VAL 4 Cb -0.14 -0.90 0.03 0.00 -1.53 0.00 0.00 36.38 33.85 1g3i s VAL 4 CO -0.05 -0.44 0.08 -0.55 -3.33 0.00 0.00 175.10 170.81 1g3i s SER 5 N -1.89 0.09 0.18 3.54 0.15 0.16 -1.20 113.70 114.73 1g3i s SER 5 Ca -0.04 0.15 0.10 0.00 0.70 0.00 0.00 55.95 56.87 1g3i s SER 5 Cb -0.07 0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.23 1g3i s SER 5 CO -0.00 -0.15 -0.23 -0.69 1.20 0.00 0.00 173.24 173.38 1g3i s VAL 6 N 1.23 2.18 -0.08 4.45 1.01 -0.93 -1.35 120.40 126.91 1g3i s VAL 6 Ca -0.08 -1.97 -0.04 0.00 0.00 0.00 0.00 61.98 59.90 1g3i s VAL 6 Cb -0.12 -2.02 0.04 0.00 0.00 0.00 0.00 36.38 34.28 1g3i s VAL 6 CO -0.04 -0.15 0.18 -0.60 0.00 0.00 0.00 175.10 174.49 1g3i s ARG 7 N -2.63 0.13 -0.29 2.72 3.52 -1.19 -1.22 118.95 119.99 1g3i s ARG 7 Ca 0.18 0.44 -0.16 0.00 -0.13 0.00 0.00 55.73 56.07 1g3i s ARG 7 Cb -0.08 -0.16 0.14 0.00 -1.56 0.00 0.00 34.95 33.29 1g3i s ARG 7 CO 0.09 -0.18 0.95 -0.98 -0.81 0.00 0.00 175.30 174.37 1g3i s ARG 8 N 1.29 0.40 -0.13 5.12 1.70 -0.74 -4.85 118.95 121.73 1g3i s ARG 8 Ca -0.08 0.70 -0.00 0.00 -0.47 0.00 0.00 55.73 55.87 1g3i s ARG 8 Cb -0.11 0.09 0.00 0.00 -0.57 0.00 0.00 34.95 34.35 1g3i s ARG 8 CO -0.07 -0.09 0.11 0.09 -1.08 0.00 0.00 175.30 174.27 1g3i n ASN 9 N 3.77 -2.16 -1.24 -2.89 4.13 -1.26 -3.69 115.26 111.92 1g3i n ASN 9 Ca -0.19 -0.06 -0.16 0.00 1.68 0.00 0.00 54.58 55.85 1g3i n ASN 9 Cb 0.58 -1.00 -0.07 0.00 -1.54 0.00 0.00 39.78 37.75 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 -0.90 1.60 3.26 7.41 0.00 -1.26 -4.98 105.19 110.33 1g3i n GLY 10 Ca -0.02 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.34 2.12 -0.03 1.61 -1.52 -1.24 -4.87 119.66 112.39 1g3i s GLN 11 Ca 0.00 -0.85 0.03 0.00 -1.95 0.00 0.00 55.36 52.59 1g3i s GLN 11 Cb 0.00 -1.94 0.00 0.00 -0.22 0.00 0.00 33.01 30.85 1g3i s GLN 11 CO 0.00 0.45 -0.11 0.08 -0.25 0.00 0.00 175.29 175.46 1g3i s VAL 12 N -0.39 0.97 0.01 1.09 1.01 -1.26 -1.79 120.40 120.04 1g3i s VAL 12 Ca 0.04 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1g3i s VAL 12 Cb -0.11 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1g3i s VAL 12 CO 0.01 0.30 -0.03 -0.69 0.00 0.00 0.00 175.10 174.68 1g3i s VAL 13 N 0.22 0.21 -0.07 2.92 1.01 -0.35 0.43 120.40 124.77 1g3i s VAL 13 Ca -0.05 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1g3i s VAL 13 Cb -0.10 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.05 1g3i s VAL 13 CO 0.01 -0.16 -0.07 -0.69 0.00 0.00 0.00 175.10 174.19 1g3i s VAL 14 N -0.62 0.81 0.04 2.92 1.01 0.17 -2.18 120.40 122.55 1g3i s VAL 14 Ca -0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 1g3i s VAL 14 Cb -0.05 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 1g3i s VAL 14 CO -0.00 0.31 0.08 -0.83 0.00 0.00 0.00 175.10 174.66 1g3i s GLY 15 N 1.24 0.19 0.30 4.51 0.00 -0.34 -1.88 107.32 111.35 1g3i s GLY 15 Ca -0.05 -0.58 -0.09 0.00 0.00 0.00 0.00 44.72 44.00 1g3i s GLY 15 CO -0.02 -0.71 0.52 -0.32 0.00 0.00 0.00 173.10 172.56 1g3i s GLY 16 N -2.11 0.86 0.00 0.20 0.00 -1.00 -0.42 107.32 104.85 1g3i s GLY 16 Ca -0.05 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1g3i s GLY 16 CO -0.05 -0.72 0.00 2.09 0.00 0.00 0.00 173.10 174.42 1g3i n ASP 17 N -0.89 0.00 -0.59 1.64 5.75 -0.92 -2.19 116.55 119.35 1g3i n ASP 17 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.75 1g3i n ASP 17 Cb 0.61 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.69 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 4.53 0.91 3.59 6.12 0.00 -0.94 -4.11 105.19 115.29 1g3i n GLY 18 Ca 0.00 -0.00 -0.41 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 3.84 -0.73 1.61 0.74 -1.26 -1.36 119.66 122.50 1g3i s GLN 19 Ca 0.00 0.23 -0.15 0.00 0.05 0.00 0.00 55.36 55.49 1g3i s GLN 19 Cb 0.00 -3.75 0.18 0.00 1.10 0.00 0.00 33.01 30.54 1g3i s GLN 19 CO -0.00 -0.62 0.70 0.08 -0.55 0.00 0.00 175.29 174.90 1g3i s VAL 20 N 2.64 5.38 0.31 1.34 1.01 0.87 -4.69 120.40 127.26 1g3i s VAL 20 Ca 0.25 -2.01 -0.27 0.00 0.00 0.00 0.00 61.98 59.95 1g3i s VAL 20 Cb -0.15 -4.45 -0.10 0.00 0.00 0.00 0.00 36.38 31.69 1g3i s VAL 20 CO 0.13 -1.02 0.95 -0.44 0.00 0.00 0.00 175.10 174.72 1g3i s SER 21 N 2.80 7.37 -0.37 3.32 0.01 -1.26 -1.70 113.70 123.87 1g3i s SER 21 Ca 0.14 1.86 0.00 0.00 1.31 0.00 0.00 55.95 59.26 1g3i s SER 21 Cb -0.17 -2.58 0.13 0.00 0.21 0.00 0.00 66.02 63.60 1g3i s SER 21 CO -0.04 -0.04 0.19 -0.22 0.41 0.00 0.00 173.24 173.54 1g3i s LEU 22 N -1.93 1.83 0.00 2.44 2.96 0.90 -4.87 118.68 120.01 1g3i s LEU 22 Ca 0.49 -2.17 0.00 0.00 -0.22 0.00 0.00 54.13 52.23 1g3i s LEU 22 Cb -0.20 -0.73 0.00 0.00 0.50 0.00 0.00 46.19 45.77 1g3i s LEU 22 CO 0.25 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.57 1g3i n GLY 23 N 4.12 2.07 0.09 7.98 0.00 -1.26 -2.10 105.19 116.09 1g3i n GLY 23 Ca 0.06 -0.34 0.01 0.00 0.00 0.00 0.00 46.02 45.75 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 9.49 2.10 -4.86 1.61 5.03 -1.26 -5.01 115.26 122.36 1g3i n ASN 24 Ca 0.00 -1.96 -0.22 0.00 0.87 0.00 0.00 54.58 53.27 1g3i n ASN 24 Cb 0.00 -0.03 -0.03 0.00 -1.02 0.00 0.00 39.78 38.69 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 -0.97 2.52 -0.21 3.41 -4.23 -0.89 -5.11 115.64 110.16 1g3i s THR 25 Ca 0.03 -1.40 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1g3i s THR 25 Cb 0.02 -2.92 0.05 0.00 1.34 0.00 0.00 72.50 70.99 1g3i s THR 25 CO 0.02 0.00 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.34 1g3i s VAL 26 N -2.52 1.56 0.16 2.29 1.01 -1.26 -0.07 120.40 121.57 1g3i s VAL 26 Ca 0.46 -1.09 0.14 0.00 0.00 0.00 0.00 61.98 61.49 1g3i s VAL 26 Cb -0.02 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.66 1g3i s VAL 26 CO 0.27 0.04 1.60 -0.03 0.00 0.00 0.00 175.10 176.98 1g3i h MET 27 N 7.97 0.00 -2.45 2.72 -1.53 -1.66 -3.47 114.93 116.51 1g3i h MET 27 Ca -0.23 0.00 0.02 0.00 -3.44 0.00 0.00 59.70 56.06 1g3i h MET 27 Cb 1.08 0.00 -0.15 0.00 -0.55 0.00 0.00 31.60 31.98 1g3i h MET 27 CO 0.44 0.55 0.33 0.21 0.14 0.00 0.00 176.91 178.58 1g3i s LYS 28 N -3.42 1.03 0.00 0.39 2.20 -1.18 -5.02 119.74 113.74 1g3i s LYS 28 Ca 0.00 -0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 1g3i s LYS 28 Cb 0.11 0.48 0.00 0.00 -1.51 0.00 0.00 37.83 36.91 1g3i s LYS 28 CO 0.74 -0.42 0.15 0.41 -0.36 0.00 0.00 175.35 175.87 1g3i n GLY 29 N 0.01 0.24 1.74 5.54 0.00 -1.25 -0.09 105.19 111.38 1g3i n GLY 29 Ca -0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.24 4.49 -4.81 1.61 0.23 -1.08 -4.11 115.26 111.35 1g3i n ASN 30 Ca 0.00 -3.79 -0.32 0.00 -0.53 0.00 0.00 54.58 49.95 1g3i n ASN 30 Cb 0.06 -0.51 0.03 0.00 -2.08 0.00 0.00 39.78 37.28 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 -3.53 2.72 -0.49 -2.53 0.00 -0.46 -5.01 121.76 112.46 1g3i s ALA 31 Ca 0.50 0.24 -0.08 0.00 0.00 0.00 0.00 51.96 52.62 1g3i s ALA 31 Cb 0.42 -3.20 0.13 0.00 0.00 0.00 0.00 23.12 20.46 1g3i s ALA 31 CO 0.01 -1.00 0.35 1.03 0.00 0.00 0.00 175.76 176.15 1g3i s ARG 32 N -4.54 2.45 0.00 0.00 0.52 -1.26 -4.25 118.95 111.86 1g3i s ARG 32 Ca 0.61 -1.88 0.30 0.00 -0.52 0.00 0.00 55.73 54.24 1g3i s ARG 32 Cb -0.15 -3.87 1.53 0.00 0.52 0.00 0.00 34.95 32.98 1g3i s ARG 32 CO 0.45 -1.18 2.02 1.63 0.02 0.00 0.00 175.30 178.25 1g3i n LYS 33 N 4.69 1.08 -4.23 3.54 5.02 -1.26 -4.77 118.16 122.22 1g3i n LYS 33 Ca -0.04 -0.30 -0.19 0.00 -2.02 0.00 0.00 58.31 55.76 1g3i n LYS 33 Cb 0.41 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.77 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 -2.13 0.58 0.24 -0.18 1.01 -1.26 -1.30 120.40 117.37 1g3i s VAL 34 Ca 0.41 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1g3i s VAL 34 Cb 0.21 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1g3i s VAL 34 CO 0.39 0.21 0.14 -0.13 0.00 0.00 0.00 175.10 175.71 1g3i s ARG 35 N 0.50 1.37 -0.14 2.72 0.52 0.54 -4.95 118.95 119.51 1g3i s ARG 35 Ca -0.07 -1.74 -0.07 0.00 -0.52 0.00 0.00 55.73 53.32 1g3i s ARG 35 Cb -0.11 0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.43 1g3i s ARG 35 CO 0.00 -0.41 0.12 1.03 0.02 0.00 0.00 175.30 176.06 1g3i s ARG 36 N -4.00 3.63 0.45 3.54 0.52 -1.26 -1.50 118.95 120.32 1g3i s ARG 36 Ca 0.38 -0.20 0.03 0.00 -0.52 0.00 0.00 55.73 55.43 1g3i s ARG 36 Cb 0.06 -3.21 -0.04 0.00 0.52 0.00 0.00 34.95 32.29 1g3i s ARG 36 CO 0.15 0.61 0.04 -0.51 0.02 0.00 0.00 175.30 175.61 1g3i s LEU 37 N -0.56 2.34 -1.16 2.53 1.43 -0.66 -4.70 118.68 117.90 1g3i s LEU 37 Ca 0.12 -1.57 -0.30 0.00 -1.03 0.00 0.00 54.13 51.35 1g3i s LEU 37 Cb -0.12 -0.60 0.04 0.00 0.03 0.00 0.00 46.19 45.55 1g3i s LEU 37 CO 0.02 -0.75 0.68 0.00 0.23 0.00 0.00 176.35 176.52 1g3i n TYR 38 N -1.06 -1.48 -3.31 0.29 -0.00 -1.26 -2.15 117.16 108.18 1g3i n TYR 38 Ca -0.11 0.17 -0.15 0.00 -0.00 0.00 0.00 57.90 57.81 1g3i n TYR 38 Cb 0.67 -2.80 0.04 0.00 -0.00 0.00 0.00 39.34 37.25 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 -2.22 -6.62 -4.10 2.98 3.02 -1.26 -3.34 115.26 103.72 1g3i n ASN 39 Ca -0.14 -0.62 -0.32 0.00 -0.03 0.00 0.00 54.58 53.47 1g3i n ASN 39 Cb 0.58 -4.73 -0.08 0.00 -0.61 0.00 0.00 39.78 34.94 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 -1.47 -0.24 0.00 7.41 0.00 -0.95 -4.79 105.19 105.15 1g3i n GLY 40 Ca -0.07 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.80 -0.30 -4.30 1.61 0.00 -0.92 -4.95 118.16 105.51 1g3i n LYS 41 Ca -0.07 -0.49 -0.18 0.00 -0.00 0.00 0.00 58.31 57.57 1g3i n LYS 41 Cb 0.48 -0.87 -0.14 0.00 -0.00 0.00 0.00 35.03 34.51 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 -0.11 0.81 -0.12 0.58 -7.23 -1.16 -4.24 120.40 108.92 1g3i s VAL 42 Ca 0.00 -0.72 -0.03 0.00 -1.81 0.00 0.00 61.98 59.42 1g3i s VAL 42 Cb 0.00 -0.73 -0.03 0.00 0.56 0.00 0.00 36.38 36.18 1g3i s VAL 42 CO 0.00 0.02 -0.00 -0.76 -0.31 0.00 0.00 175.10 174.05 1g3i s LEU 43 N -0.78 3.51 -0.05 1.32 1.43 0.14 -1.66 118.68 122.60 1g3i s LEU 43 Ca 0.00 0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1g3i s LEU 43 Cb -0.06 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1g3i s LEU 43 CO 0.00 0.28 -0.00 0.00 0.23 0.00 0.00 176.35 176.87 1g3i s ALA 44 N -0.32 0.52 -0.11 4.21 0.00 -0.56 -0.67 121.76 124.83 1g3i s ALA 44 Ca 0.07 0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.07 1g3i s ALA 44 Cb -0.12 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1g3i s ALA 44 CO 0.02 -0.26 -0.22 0.20 0.00 0.00 0.00 175.76 175.50 1g3i s GLY 45 N 1.51 1.36 -0.04 0.00 0.00 0.12 -0.34 107.32 109.93 1g3i s GLY 45 Ca -0.03 -0.99 0.07 0.00 0.00 0.00 0.00 44.72 43.77 1g3i s GLY 45 CO -0.03 -0.23 -0.25 -0.11 0.00 0.00 0.00 173.10 172.47 1g3i s PHE 46 N 0.47 2.38 -0.06 1.90 -0.71 -0.42 0.39 117.98 121.93 1g3i s PHE 46 Ca -0.15 -0.54 -0.02 0.00 -1.04 0.00 0.00 56.93 55.18 1g3i s PHE 46 Cb -0.17 -1.54 0.03 0.00 -1.21 0.00 0.00 43.02 40.13 1g3i s PHE 46 CO 0.06 -0.10 0.02 0.00 -1.34 0.00 0.00 175.22 173.86 1g3i s ALA 47 N -0.44 0.54 0.00 1.99 0.00 0.10 -4.88 121.76 119.06 1g3i s ALA 47 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1g3i s ALA 47 Cb -0.11 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1g3i s ALA 47 CO 0.01 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1g3i n GLY 48 N 5.18 -0.53 3.66 0.00 0.00 -1.26 -1.16 105.19 111.08 1g3i n GLY 48 Ca -0.06 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 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 1.65 0.08 -0.02 0.00 -1.00 -4.83 107.32 103.20 1g3i s GLY 49 Ca 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 44.72 45.11 1g3i s GLY 49 CO 0.00 2.45 0.42 -1.30 0.00 0.00 0.00 173.10 174.67 1g3i n THR 50 N 5.38 -0.11 0.00 0.90 -2.24 -1.26 0.40 114.28 117.35 1g3i n THR 50 Ca 0.14 0.61 0.00 0.00 -2.27 0.00 0.00 64.05 62.53 1g3i n THR 50 Cb 0.45 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 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 -3.84 -0.02 -0.24 6.98 0.00 -1.26 -3.14 120.51 119.00 1g3i n ALA 51 Ca 0.05 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.72 1g3i n ALA 51 Cb 0.15 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.65 0.25 0.01 0.00 9.92 -0.52 0.14 116.55 125.70 1g3i n ASP 52 Ca 0.00 1.22 -0.03 0.00 -0.53 0.00 0.00 54.79 55.45 1g3i n ASP 52 Cb 0.00 -0.59 -0.02 0.00 -0.64 0.00 0.00 41.12 39.87 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 1.47 -0.61 -0.38 2.24 0.00 -0.15 0.39 119.26 122.24 1g3i h ALA 53 Ca 0.62 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.59 1g3i h ALA 53 Cb 1.64 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 19.91 1g3i h ALA 53 CO -0.57 -0.63 -0.24 0.74 0.00 0.00 0.00 179.25 178.54 1g3i h PHE 54 N -0.14 -0.64 -0.66 0.00 -1.00 0.13 0.05 116.94 114.68 1g3i h PHE 54 Ca 0.00 0.05 0.16 0.00 2.81 0.00 0.00 57.97 60.98 1g3i h PHE 54 Cb 0.14 0.34 -0.04 0.00 3.61 0.00 0.00 35.95 40.00 1g3i h PHE 54 CO -0.36 -0.32 0.46 1.79 -1.61 0.00 0.00 178.31 178.26 1g3i h THR 55 N -0.19 0.76 0.08 -1.55 1.35 -0.20 0.72 112.91 113.89 1g3i h THR 55 Ca 0.18 -0.08 -0.00 0.00 -0.55 0.00 0.00 66.41 65.96 1g3i h THR 55 Cb 0.47 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 1g3i h THR 55 CO -0.49 0.04 -0.04 0.25 -0.25 0.00 0.00 175.52 175.04 1g3i h LEU 56 N 0.22 -0.09 -0.41 3.87 6.46 0.13 -2.45 115.31 123.04 1g3i h LEU 56 Ca 0.32 -0.52 0.09 0.00 -0.12 0.00 0.00 57.88 57.65 1g3i h LEU 56 Cb 0.96 0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 40.82 1g3i h LEU 56 CO -0.06 0.56 -0.19 0.15 -0.62 0.00 0.00 178.44 178.27 1g3i h PHE 57 N -0.83 -0.49 -0.45 1.25 3.04 0.08 -1.08 116.94 118.47 1g3i h PHE 57 Ca -0.01 0.05 0.01 0.00 3.98 0.00 0.00 57.97 61.99 1g3i h PHE 57 Cb 0.60 0.28 -0.02 0.00 2.56 0.00 0.00 35.95 39.37 1g3i h PHE 57 CO 0.13 -0.28 0.30 0.93 -2.02 0.00 0.00 178.31 177.37 1g3i h GLU 58 N -0.12 0.58 -0.14 1.11 5.08 0.36 -2.52 114.58 118.94 1g3i h GLU 58 Ca 0.20 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1g3i h GLU 58 Cb 0.42 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1g3i h GLU 58 CO -0.48 0.39 -0.11 -0.07 -1.00 0.00 0.00 179.01 177.73 1g3i h LEU 59 N 0.60 0.34 -1.95 1.33 4.07 -0.75 -2.82 115.31 116.13 1g3i h LEU 59 Ca 0.17 -0.46 0.14 0.00 0.08 0.00 0.00 57.88 57.81 1g3i h LEU 59 Cb -0.06 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 1g3i h LEU 59 CO -0.04 0.72 0.37 0.15 -1.08 0.00 0.00 178.44 178.57 1g3i h PHE 60 N -0.04 0.06 0.24 1.13 3.57 -0.87 -2.19 116.94 118.83 1g3i h PHE 60 Ca 0.03 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1g3i h PHE 60 Cb 0.62 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1g3i h PHE 60 CO 0.08 0.02 -0.12 1.49 -2.23 0.00 0.00 178.31 177.56 1g3i h GLU 61 N 0.05 -0.31 -0.49 1.11 4.81 -1.29 -1.27 114.58 117.20 1g3i h GLU 61 Ca 0.25 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.64 1g3i h GLU 61 Cb 0.92 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 1g3i h GLU 61 CO -0.01 0.05 0.73 0.00 -0.73 0.00 0.00 179.01 179.04 1g3i h ARG 62 N -0.90 0.00 0.09 1.92 3.08 -1.16 1.13 114.38 118.54 1g3i h ARG 62 Ca -0.03 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 1g3i h ARG 62 Cb 0.50 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.56 1g3i h ARG 62 CO 0.05 0.00 -0.71 -0.22 -1.07 0.00 0.00 179.97 178.03 1g3i h LYS 63 N 0.00 0.20 -0.78 0.04 1.63 -1.27 -2.57 116.57 113.82 1g3i h LYS 63 Ca 0.23 -0.34 0.02 0.00 -0.85 0.00 0.00 60.65 59.72 1g3i h LYS 63 Cb 1.69 0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 33.40 1g3i h LYS 63 CO -0.00 1.16 0.50 -0.07 -3.45 0.00 0.00 179.45 177.59 1g3i h LEU 64 N -0.56 0.85 -1.58 5.20 3.38 0.22 -0.78 115.31 122.03 1g3i h LEU 64 Ca -0.14 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1g3i h LEU 64 Cb 1.47 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1g3i h LEU 64 CO 0.08 0.60 0.05 -0.33 0.09 0.00 0.00 178.44 178.93 1g3i h GLU 65 N 1.01 0.32 0.00 1.13 4.39 0.13 -0.94 114.58 120.62 1g3i h GLU 65 Ca 0.30 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1g3i h GLU 65 Cb -0.05 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1g3i h GLU 65 CO -0.09 0.31 -0.21 0.52 -1.16 0.00 0.00 179.01 178.38 1g3i h MET 66 N 0.32 0.00 -1.74 2.33 2.86 -0.74 -3.39 114.93 114.57 1g3i h MET 66 Ca 0.08 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.18 1g3i h MET 66 Cb 0.14 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 31.38 1g3i h MET 66 CO -0.00 0.00 -0.85 0.72 1.06 0.00 0.00 176.91 177.84 1g3i n HIS 67 N -2.36 2.77 -2.52 -0.22 8.25 -0.69 -4.94 115.22 115.52 1g3i n HIS 67 Ca 0.04 -3.44 -0.05 0.00 -0.26 0.00 0.00 57.72 54.01 1g3i n HIS 67 Cb 0.45 -0.31 -0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.23 -2.70 -2.98 -0.41 6.02 -1.24 -0.76 117.38 115.08 1g3i n GLN 68 Ca 0.29 0.23 -0.22 0.00 -0.01 0.00 0.00 57.00 57.30 1g3i n GLN 68 Cb 0.60 -4.77 0.02 0.00 1.02 0.00 0.00 30.24 27.11 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 -0.63 -0.51 3.57 1.08 0.00 -0.39 -4.89 105.19 103.42 1g3i n GLY 69 Ca -0.05 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.06 2.56 0.03 1.61 3.76 0.06 -4.87 115.29 115.38 1g3i s HIS 70 Ca 0.27 -0.98 -0.07 0.00 -0.15 0.00 0.00 55.06 54.13 1g3i s HIS 70 Cb -0.13 -4.67 -0.01 0.00 1.11 0.00 0.00 32.58 28.88 1g3i s HIS 70 CO 0.33 -1.88 0.59 -0.11 -0.85 0.00 0.00 174.74 172.82 1g3i n LEU 71 N 9.09 -0.22 0.05 0.89 -0.00 -1.26 -1.24 117.00 124.31 1g3i n LEU 71 Ca 0.38 0.64 -0.13 0.00 -0.00 0.00 0.00 56.01 56.90 1g3i n LEU 71 Cb 0.49 -0.18 -0.08 0.00 -0.00 0.00 0.00 43.42 43.65 1g3i n LEU 71 CO 0.69 -0.44 0.51 0.25 -0.00 0.00 0.00 177.39 178.40 1g3i h LEU 72 N 0.00 -1.32 0.41 -1.96 7.12 -1.99 -1.80 115.31 115.77 1g3i h LEU 72 Ca 0.03 0.15 -0.01 0.00 0.13 0.00 0.00 57.88 58.18 1g3i h LEU 72 Cb 0.09 0.50 -0.03 0.00 -0.53 0.00 0.00 40.66 40.69 1g3i h LEU 72 CO -0.20 -0.43 -0.45 0.50 -0.13 0.00 0.00 178.44 177.73 1g3i h LYS 73 N -0.56 -0.85 -0.99 1.25 3.64 -1.67 -2.19 116.57 115.20 1g3i h LYS 73 Ca 0.01 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.60 1g3i h LYS 73 Cb 0.59 0.19 -0.16 0.00 -0.41 0.00 0.00 32.23 32.44 1g3i h LYS 73 CO -0.28 -0.57 -0.39 0.43 -2.27 0.00 0.00 179.45 176.38 1g3i n SER 74 N -5.52 -0.65 -0.04 4.20 7.64 -0.38 0.04 113.62 118.90 1g3i n SER 74 Ca -0.11 1.73 -0.12 0.00 1.01 0.00 0.00 58.87 61.38 1g3i n SER 74 Cb 0.42 -0.39 -0.07 0.00 -1.01 0.00 0.00 64.21 63.16 1g3i n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g3i h ALA 75 N 1.35 -0.63 0.03 -0.43 0.00 -0.82 0.17 119.26 118.94 1g3i h ALA 75 Ca 0.34 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.28 1g3i h ALA 75 Cb 0.59 0.89 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 1g3i h ALA 75 CO -0.98 -0.96 -0.23 0.28 0.00 0.00 0.00 179.25 177.36 1g3i h VAL 76 N -0.47 0.48 -0.96 0.00 2.07 -0.20 0.95 116.25 118.12 1g3i h VAL 76 Ca 0.08 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.84 1g3i h VAL 76 Cb 0.63 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 1g3i h VAL 76 CO -0.47 0.00 0.65 -0.33 0.02 0.00 0.00 177.57 177.44 1g3i h GLU 77 N -0.37 0.29 -0.07 1.57 4.39 0.46 0.52 114.58 121.37 1g3i h GLU 77 Ca 0.05 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 1g3i h GLU 77 Cb 0.44 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1g3i h GLU 77 CO -0.19 0.19 -0.15 1.25 -1.16 0.00 0.00 179.01 178.96 1g3i h LEU 78 N 0.30 0.25 -0.67 1.33 5.85 0.67 -3.11 115.31 119.92 1g3i h LEU 78 Ca 0.50 -0.57 0.11 0.00 0.84 0.00 0.00 57.88 58.76 1g3i h LEU 78 Cb 1.45 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.32 1g3i h LEU 78 CO -0.17 0.78 0.26 0.00 -0.34 0.00 0.00 178.44 178.97 1g3i h ALA 79 N 0.48 0.90 -0.69 1.25 0.00 0.20 -1.34 119.26 120.06 1g3i h ALA 79 Ca 0.00 0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1g3i h ALA 79 Cb 0.74 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.48 1g3i h ALA 79 CO 0.03 -0.20 -0.43 1.57 0.00 0.00 0.00 179.25 180.23 1g3i h LYS 80 N 0.42 -0.16 0.00 0.00 5.09 -0.12 0.13 116.57 121.93 1g3i h LYS 80 Ca 0.35 0.01 0.00 0.00 0.09 0.00 0.00 60.65 61.10 1g3i h LYS 80 Cb 0.48 0.04 0.00 0.00 0.10 0.00 0.00 32.23 32.84 1g3i h LYS 80 CO -0.35 -0.10 0.69 -0.44 -2.09 0.00 0.00 179.45 177.16 1g3i h ASP 81 N -0.16 0.00 0.00 7.07 3.45 -1.23 0.60 116.42 126.15 1g3i h ASP 81 Ca 0.21 0.00 -0.33 0.00 0.43 0.00 0.00 57.03 57.34 1g3i h ASP 81 Cb 0.55 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 39.26 1g3i h ASP 81 CO -0.76 0.00 -2.25 0.79 -1.57 0.00 0.00 179.24 175.45 1g3i n TRP 82 N -2.37 0.00 0.50 4.55 8.01 0.42 -4.08 117.44 124.47 1g3i n TRP 82 Ca -0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1g3i n TRP 82 Cb 0.71 -0.90 0.09 0.00 -2.01 0.00 0.00 31.31 29.20 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 -2.69 1.87 -1.60 -0.99 1.74 0.21 -4.73 116.66 110.48 1g3i n ARG 83 Ca -0.30 -0.80 -0.14 0.00 -0.77 0.00 0.00 57.85 55.84 1g3i n ARG 83 Cb 1.09 -1.62 0.08 0.00 -1.02 0.00 0.00 32.46 30.98 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 0.15 0.00 0.11 0.55 -2.24 -1.11 -5.00 114.28 106.74 1g3i n THR 84 Ca 0.09 -0.83 -0.02 0.00 -2.27 0.00 0.00 64.05 61.02 1g3i n THR 84 Cb 0.55 -1.22 0.01 0.00 -2.10 0.00 0.00 70.33 67.57 1g3i n THR 84 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1g3i h ASP 85 N -0.46 0.00 0.00 3.42 5.19 -1.94 -3.43 116.42 119.20 1g3i h ASP 85 Ca -0.20 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 1g3i h ASP 85 Cb 0.69 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.20 1g3i h ASP 85 CO 0.20 0.72 0.00 -1.14 -3.12 0.00 0.00 179.24 175.90 1g3i n ARG 86 N -3.37 0.00 -3.62 3.56 0.63 -1.26 -5.13 116.66 107.47 1g3i n ARG 86 Ca 0.01 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 1g3i n ARG 86 Cb 0.79 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.67 1g3i n ARG 86 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1g3i s ALA 87 N -3.95 -2.08 -0.06 5.13 0.00 -1.26 -5.03 121.76 114.51 1g3i s ALA 87 Ca 0.00 1.74 0.12 0.00 0.00 0.00 0.00 51.96 53.82 1g3i s ALA 87 Cb 0.00 -0.79 0.22 0.00 0.00 0.00 0.00 23.12 22.55 1g3i s ALA 87 CO 0.00 -0.41 1.10 -0.11 0.00 0.00 0.00 175.76 176.35 1g3i n LEU 88 N 0.28 1.19 -1.56 0.00 0.00 -1.26 -5.00 117.00 110.66 1g3i n LEU 88 Ca -0.01 -2.15 0.00 0.00 0.00 0.00 0.00 56.01 53.85 1g3i n LEU 88 Cb 0.58 -0.19 0.00 0.00 0.00 0.00 0.00 43.42 43.82 1g3i n LEU 88 CO 0.09 0.58 -0.46 0.54 0.00 0.00 0.00 177.39 178.14 1g3i n ARG 89 N -0.44 -4.35 -2.60 1.96 1.74 -1.26 -4.79 116.66 106.93 1g3i n ARG 89 Ca 0.08 3.28 -0.41 0.00 -0.77 0.00 0.00 57.85 60.03 1g3i n ARG 89 Cb 0.77 -3.83 -0.04 0.00 -1.02 0.00 0.00 32.46 28.34 1g3i n ARG 89 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1g3i s LYS 90 N -4.33 4.65 -0.28 5.56 0.00 -1.26 -4.88 119.74 119.20 1g3i s LYS 90 Ca 0.00 1.61 0.01 0.00 0.00 0.00 0.00 55.97 57.60 1g3i s LYS 90 Cb 0.00 -3.31 0.06 0.00 0.00 0.00 0.00 37.83 34.58 1g3i s LYS 90 CO 0.00 0.16 -0.05 -1.17 0.00 0.00 0.00 175.35 174.28 1g3i s LEU 91 N -0.32 3.74 0.00 2.77 2.96 -1.17 -4.99 118.68 121.67 1g3i s LEU 91 Ca 0.48 -1.44 0.00 0.00 -0.22 0.00 0.00 54.13 52.95 1g3i s LEU 91 Cb -0.27 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 44.80 1g3i s LEU 91 CO 0.33 -0.24 0.49 -0.62 -1.32 0.00 0.00 176.35 175.00 1g3i n GLU 92 N 4.48 0.00 -3.84 1.98 -0.58 -1.26 -3.26 120.64 118.16 1g3i n GLU 92 Ca -0.12 -0.03 -0.07 0.00 -0.42 0.00 0.00 57.16 56.52 1g3i n GLU 92 Cb 0.42 -1.46 -0.01 0.00 -0.57 0.00 0.00 31.44 29.82 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 2.92 -1.13 0.04 0.62 0.00 -1.26 -2.38 121.76 120.58 1g3i s ALA 93 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 1g3i s ALA 93 Cb 0.00 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 1g3i s ALA 93 CO 0.00 -1.03 -0.02 -1.64 0.00 0.00 0.00 175.76 173.07 1g3i s MET 94 N -3.42 0.55 0.12 0.00 -1.94 -0.31 -0.91 119.30 113.39 1g3i s MET 94 Ca 0.12 -1.06 0.06 0.00 -1.71 0.00 0.00 55.69 53.10 1g3i s MET 94 Cb -0.05 0.19 -0.04 0.00 2.01 0.00 0.00 34.83 36.94 1g3i s MET 94 CO 0.08 -0.10 -0.14 -0.51 -0.01 0.00 0.00 175.02 174.33 1g3i s LEU 95 N -2.57 2.40 -0.20 -0.03 1.43 0.83 -0.72 118.68 119.81 1g3i s LEU 95 Ca 0.02 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 1g3i s LEU 95 Cb 0.04 -0.55 0.05 0.00 0.03 0.00 0.00 46.19 45.75 1g3i s LEU 95 CO -0.08 -0.14 -0.07 -0.63 0.23 0.00 0.00 176.35 175.66 1g3i s ILE 96 N -2.09 1.40 -0.00 -0.59 1.01 0.16 -1.21 121.20 119.88 1g3i s ILE 96 Ca 0.08 -0.93 0.08 0.00 0.00 0.00 0.00 60.65 59.88 1g3i s ILE 96 Cb -0.05 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 1g3i s ILE 96 CO 0.03 0.07 -0.25 0.68 0.00 0.00 0.00 174.94 175.47 1g3i s VAL 97 N 1.49 2.21 -0.27 2.92 -7.23 -0.28 0.13 120.40 119.37 1g3i s VAL 97 Ca -0.02 -1.15 -0.24 0.00 -1.81 0.00 0.00 61.98 58.76 1g3i s VAL 97 Cb -0.17 -1.81 0.08 0.00 0.56 0.00 0.00 36.38 35.05 1g3i s VAL 97 CO -0.07 0.51 0.76 0.00 -0.31 0.00 0.00 175.10 175.99 1g3i s ALA 98 N -0.69 -1.82 0.26 1.32 0.00 0.15 0.18 121.76 121.15 1g3i s ALA 98 Ca 0.11 2.05 0.01 0.00 0.00 0.00 0.00 51.96 54.13 1g3i s ALA 98 Cb -0.10 -1.25 -0.00 0.00 0.00 0.00 0.00 23.12 21.77 1g3i s ALA 98 CO 0.00 -0.33 0.03 -0.40 0.00 0.00 0.00 175.76 175.07 1g3i n ASP 99 N 2.79 2.05 -0.32 0.00 3.85 -0.21 0.27 116.55 124.99 1g3i n ASP 99 Ca -0.14 -2.21 0.12 0.00 -0.71 0.00 0.00 54.79 51.85 1g3i n ASP 99 Cb 0.56 0.36 0.26 0.00 -1.35 0.00 0.00 41.12 40.94 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 0.04 0.01 0.11 4.11 -1.92 -2.85 114.58 114.09 1g3i h GLU 100 Ca -0.21 -0.00 -0.32 0.00 0.07 0.00 0.00 59.36 58.90 1g3i h GLU 100 Cb 0.69 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 1g3i h GLU 100 CO 0.34 0.03 -1.94 0.36 0.07 0.00 0.00 179.01 177.86 1g3i n LYS 101 N -5.45 0.66 -4.62 1.06 2.85 -1.26 -4.95 118.16 106.45 1g3i n LYS 101 Ca 0.21 0.21 -0.28 0.00 -1.05 0.00 0.00 58.31 57.40 1g3i n LYS 101 Cb 0.69 -1.70 -0.10 0.00 -0.65 0.00 0.00 35.03 33.26 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 -2.56 1.96 -0.22 -1.58 0.41 -1.08 -5.13 118.70 110.51 1g3i s GLU 102 Ca -0.08 -2.16 -0.05 0.00 -0.41 0.00 0.00 54.97 52.26 1g3i s GLU 102 Cb 0.07 -1.36 0.11 0.00 -1.78 0.00 0.00 34.13 31.17 1g3i s GLU 102 CO 0.81 -0.20 0.41 0.45 -0.49 0.00 0.00 175.26 176.24 1g3i s SER 103 N -3.70 -0.13 0.33 -0.19 0.15 -1.26 -1.04 113.70 107.85 1g3i s SER 103 Ca 0.26 0.71 0.03 0.00 0.70 0.00 0.00 55.95 57.65 1g3i s SER 103 Cb 0.07 1.31 -0.04 0.00 -1.71 0.00 0.00 66.02 65.64 1g3i s SER 103 CO 0.13 -0.26 0.11 -0.76 1.20 0.00 0.00 173.24 173.66 1g3i s LEU 104 N 2.60 1.89 -0.04 3.45 1.02 0.47 -4.32 118.68 123.75 1g3i s LEU 104 Ca 0.05 -1.49 -0.01 0.00 0.02 0.00 0.00 54.13 52.69 1g3i s LEU 104 Cb -0.13 -0.09 0.03 0.00 0.02 0.00 0.00 46.19 46.01 1g3i s LEU 104 CO -0.14 -0.78 0.03 -0.51 0.02 0.00 0.00 176.35 174.97 1g3i s ILE 105 N -3.45 0.05 -0.01 -0.59 2.07 -0.88 -1.12 121.20 117.28 1g3i s ILE 105 Ca 0.33 0.25 0.07 0.00 -1.41 0.00 0.00 60.65 59.90 1g3i s ILE 105 Cb 0.06 -0.23 -0.02 0.00 0.13 0.00 0.00 42.46 42.40 1g3i s ILE 105 CO 0.15 0.17 -0.23 -0.63 -1.91 0.00 0.00 174.94 172.49 1g3i s ILE 106 N 1.63 2.35 0.21 2.00 1.01 -0.35 -1.44 121.20 126.61 1g3i s ILE 106 Ca -0.02 -1.10 0.09 0.00 0.00 0.00 0.00 60.65 59.62 1g3i s ILE 106 Cb -0.13 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 1g3i s ILE 106 CO -0.03 0.51 -0.07 0.42 0.00 0.00 0.00 174.94 175.77 1g3i s THR 107 N -0.71 3.25 0.45 2.92 -4.23 -1.13 -0.12 115.64 116.07 1g3i s THR 107 Ca 0.11 -1.75 0.25 0.00 -1.18 0.00 0.00 61.69 59.12 1g3i s THR 107 Cb -0.10 -2.65 0.28 0.00 1.34 0.00 0.00 72.50 71.37 1g3i s THR 107 CO 0.01 -0.19 2.08 1.23 -0.54 0.00 0.00 174.62 177.21 1g3i h GLY 108 N 2.60 0.00 2.00 3.99 0.00 -1.00 -0.40 103.07 110.26 1g3i h GLY 108 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1g3i h GLY 108 CO 0.56 0.00 0.00 0.29 0.00 0.00 0.00 176.54 177.39 1g3i n ILE 109 N -3.82 0.73 -0.56 2.60 -5.35 -1.26 -3.03 119.36 108.67 1g3i n ILE 109 Ca -0.02 0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1g3i n ILE 109 Cb 0.21 -0.92 0.00 0.00 -1.74 0.00 0.00 39.64 37.19 1g3i n ILE 109 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1g3i n GLY 110 N 0.56 0.39 3.57 3.28 0.00 -0.16 -4.81 105.19 108.01 1g3i n GLY 110 Ca 0.04 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.87 -0.69 0.21 1.61 3.84 -1.25 -4.73 116.67 113.79 1g3i s ASP 111 Ca 0.00 1.22 0.05 0.00 -0.00 0.00 0.00 52.55 53.82 1g3i s ASP 111 Cb 0.00 1.20 -0.03 0.00 -1.38 0.00 0.00 42.92 42.71 1g3i s ASP 111 CO 0.00 -0.32 0.27 0.68 -0.00 0.00 0.00 175.17 175.81 1g3i s VAL 112 N 0.02 4.99 -0.11 2.11 -7.23 -1.26 -2.85 120.40 116.06 1g3i s VAL 112 Ca -0.02 -1.02 -0.06 0.00 -1.81 0.00 0.00 61.98 59.06 1g3i s VAL 112 Cb -0.04 -3.65 0.04 0.00 0.56 0.00 0.00 36.38 33.29 1g3i s VAL 112 CO 0.03 -0.25 0.27 -0.69 -0.31 0.00 0.00 175.10 174.15 1g3i s VAL 113 N -1.92 -0.03 0.35 1.32 1.01 -0.52 -4.99 120.40 115.61 1g3i s VAL 113 Ca 0.33 0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.36 1g3i s VAL 113 Cb -0.09 -0.41 -0.06 0.00 0.00 0.00 0.00 36.38 35.83 1g3i s VAL 113 CO 0.27 0.05 0.66 -1.10 0.00 0.00 0.00 175.10 174.97 1g3i s GLN 114 N 1.07 3.68 1.01 2.72 -0.21 -1.26 -2.07 119.66 124.60 1g3i s GLN 114 Ca -0.08 0.20 -0.14 0.00 0.02 0.00 0.00 55.36 55.36 1g3i s GLN 114 Cb -0.09 -2.53 0.20 0.00 1.00 0.00 0.00 33.01 31.59 1g3i s GLN 114 CO -0.07 0.09 1.14 -2.14 -2.12 0.00 0.00 175.29 172.18 1g3i s PRO 115 N -3.76 0.29 0.00 2.91 0.02 -1.26 -4.99 135.00 128.21 1g3i s PRO 115 Ca 0.47 0.17 0.00 0.00 0.02 0.00 0.00 61.00 61.66 1g3i s PRO 115 Cb -0.10 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.66 1g3i s PRO 115 CO 0.31 -2.75 0.00 -0.85 -0.33 0.00 0.00 177.00 173.39 1g3i n GLU 116 N -4.13 1.96 0.17 5.54 0.00 -1.26 -4.84 120.64 118.08 1g3i n GLU 116 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.28 1g3i n GLU 116 Cb 0.59 0.00 0.25 0.00 0.00 0.00 0.00 31.44 32.27 1g3i n GLU 116 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1g3i h GLU 117 N 0.00 0.00 0.00 3.44 5.08 -1.97 -3.21 114.58 117.92 1g3i h GLU 117 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1g3i h GLU 117 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1g3i h GLU 117 CO 0.00 0.47 0.00 -0.40 -1.00 0.00 0.00 179.01 178.08 1g3i n ASP 118 N -3.54 0.00 -3.52 1.42 5.68 -1.26 -4.93 116.55 110.41 1g3i n ASP 118 Ca -0.00 0.04 -0.24 0.00 -0.50 0.00 0.00 54.79 54.09 1g3i n ASP 118 Cb 0.58 -0.33 0.05 0.00 -1.14 0.00 0.00 41.12 40.28 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 -1.33 -2.18 -4.32 0.11 3.00 -1.21 -4.73 117.38 106.73 1g3i n GLN 119 Ca 0.11 0.64 -0.20 0.00 -0.01 0.00 0.00 57.00 57.53 1g3i n GLN 119 Cb 0.22 -4.93 -0.16 0.00 0.00 0.00 0.00 30.24 25.37 1g3i n GLN 119 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1g3i s ILE 120 N -3.46 0.71 0.03 5.09 1.01 -1.26 -3.16 121.20 120.15 1g3i s ILE 120 Ca 0.40 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.81 1g3i s ILE 120 Cb -0.10 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.68 1g3i s ILE 120 CO 0.81 0.24 -0.12 -0.76 0.00 0.00 0.00 174.94 175.11 1g3i s LEU 121 N 0.51 2.15 -0.11 2.97 1.43 -0.46 -4.58 118.68 120.60 1g3i s LEU 121 Ca -0.08 -0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 1g3i s LEU 121 Cb -0.11 -0.51 0.03 0.00 0.03 0.00 0.00 46.19 45.63 1g3i s LEU 121 CO 0.01 0.02 0.28 0.00 0.23 0.00 0.00 176.35 176.88 1g3i s ALA 122 N -0.78 -0.68 0.11 4.21 0.00 -1.26 0.36 121.76 123.72 1g3i s ALA 122 Ca 0.00 0.82 -0.00 0.00 0.00 0.00 0.00 51.96 52.78 1g3i s ALA 122 Cb -0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1g3i s ALA 122 CO 0.01 -0.14 0.00 0.96 0.00 0.00 0.00 175.76 176.59 1g3i s ILE 123 N 0.30 0.33 0.00 0.00 -4.36 0.14 -4.85 121.20 112.76 1g3i s ILE 123 Ca -0.01 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 1g3i s ILE 123 Cb -0.03 -1.84 0.00 0.00 1.25 0.00 0.00 42.46 41.84 1g3i s ILE 123 CO -0.01 -0.69 0.00 0.61 0.24 0.00 0.00 174.94 175.09 1g3i n GLY 124 N -0.05 1.04 0.20 6.27 0.00 -1.26 -0.88 105.19 110.50 1g3i n GLY 124 Ca -0.09 -2.16 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 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 0.59 -0.67 1.61 4.64 -1.36 -2.82 113.55 115.54 1g3i h SER 125 Ca 0.00 -0.26 -0.33 0.00 -0.47 0.00 0.00 61.79 60.73 1g3i h SER 125 Cb 0.00 -0.16 -0.20 0.00 -0.31 0.00 0.00 62.40 61.73 1g3i h SER 125 CO 0.00 0.70 0.43 0.61 -0.87 0.00 0.00 176.83 177.69 1g3i n GLY 126 N -0.49 3.64 0.35 -0.77 0.00 -1.16 -4.58 105.19 102.18 1g3i n GLY 126 Ca -0.01 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 2.09 -0.91 -0.09 -0.02 0.00 -1.69 -2.30 103.07 100.14 1g3i h GLY 127 Ca 0.41 0.34 0.26 0.00 0.00 0.00 0.00 47.33 48.34 1g3i h GLY 127 CO 0.74 -0.33 0.67 3.43 0.00 0.00 0.00 176.54 181.04 1g3i h ASN 128 N -1.02 0.44 0.00 0.19 2.35 -1.83 0.83 115.58 116.54 1g3i h ASN 128 Ca -0.09 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1g3i h ASN 128 Cb 0.67 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1g3i h ASN 128 CO 0.15 0.10 0.00 -1.22 -1.65 0.00 0.00 177.43 174.80 1g3i n TYR 129 N -4.61 0.00 -0.32 1.19 0.53 -1.16 0.12 117.16 112.91 1g3i n TYR 129 Ca 0.25 0.00 0.30 0.00 -1.02 0.00 0.00 57.90 57.43 1g3i n TYR 129 Cb 0.86 -0.31 0.54 0.00 -1.03 0.00 0.00 39.34 39.40 1g3i n TYR 129 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1g3i n ALA 130 N -1.43 0.98 0.12 -0.72 0.00 -0.49 -0.25 120.51 118.71 1g3i n ALA 130 Ca 0.00 0.87 -0.05 0.00 0.00 0.00 0.00 53.44 54.26 1g3i n ALA 130 Cb 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 1g3i n ALA 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1g3i h LEU 131 N 0.00 -0.25 -0.92 0.00 5.85 0.13 0.37 115.31 120.49 1g3i h LEU 131 Ca 0.76 0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.61 1g3i h LEU 131 Cb 2.11 0.07 -0.14 0.00 0.37 0.00 0.00 40.66 43.07 1g3i h LEU 131 CO -0.61 -0.16 -0.41 -1.20 -0.34 0.00 0.00 178.44 175.72 1g3i n SER 132 N -2.93 -0.69 0.04 1.25 7.64 0.32 0.08 113.62 119.32 1g3i n SER 132 Ca -0.04 1.62 -0.11 0.00 1.01 0.00 0.00 58.87 61.35 1g3i n SER 132 Cb 0.12 -0.33 -0.07 0.00 -1.01 0.00 0.00 64.21 62.92 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 1.06 -0.81 -0.56 -0.43 0.00 -1.07 -0.29 119.26 117.17 1g3i h ALA 133 Ca 0.28 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.24 1g3i h ALA 133 Cb 0.51 0.82 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 1g3i h ALA 133 CO -0.90 -0.92 -0.13 0.00 0.00 0.00 0.00 179.25 177.30 1g3i h ALA 134 N -0.76 0.38 -0.59 0.00 0.00 0.19 0.46 119.26 118.95 1g3i h ALA 134 Ca 0.01 0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.22 1g3i h ALA 134 Cb 0.50 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1g3i h ALA 134 CO -0.25 -0.43 0.21 0.00 0.00 0.00 0.00 179.25 178.78 1g3i h ARG 135 N 0.01 0.38 0.46 0.00 3.08 -0.00 0.14 114.38 118.45 1g3i h ARG 135 Ca 0.27 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 1g3i h ARG 135 Cb 0.41 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1g3i h ARG 135 CO -0.56 0.25 -0.27 0.00 -1.07 0.00 0.00 179.97 178.32 1g3i h ALA 136 N 1.41 -0.69 0.00 0.04 0.00 0.82 -0.48 119.26 120.36 1g3i h ALA 136 Ca 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1g3i h ALA 136 Cb 0.36 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1g3i h ALA 136 CO -0.30 -0.90 -0.03 -0.07 0.00 0.00 0.00 179.25 177.95 1g3i h LEU 137 N -0.69 0.00 0.16 0.00 4.07 -0.69 0.06 115.31 118.22 1g3i h LEU 137 Ca -0.05 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.57 1g3i h LEU 137 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1g3i h LEU 137 CO 0.06 0.03 -1.69 0.58 -1.08 0.00 0.00 178.44 176.35 1g3i h VAL 138 N 0.00 1.00 0.00 1.22 2.07 -0.34 -3.20 116.25 116.99 1g3i h VAL 138 Ca -0.00 -2.60 -0.15 0.00 0.82 0.00 0.00 66.70 64.77 1g3i h VAL 138 Cb 0.18 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 1g3i h VAL 138 CO 0.00 0.84 -0.70 -0.33 0.02 0.00 0.00 177.57 177.40 1g3i h GLU 139 N 0.09 0.00 -0.26 1.57 5.08 -0.68 -3.36 114.58 117.03 1g3i h GLU 139 Ca -0.31 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.87 1g3i h GLU 139 Cb 2.07 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 31.20 1g3i h GLU 139 CO 0.17 0.70 -0.46 0.09 -1.00 0.00 0.00 179.01 178.51 1g3i n ASN 140 N -3.47 2.71 -3.63 1.42 3.02 -0.03 -5.04 115.26 110.24 1g3i n ASN 140 Ca 0.00 -3.85 -0.06 0.00 -0.03 0.00 0.00 54.58 50.64 1g3i n ASN 140 Cb 0.74 -0.52 -0.06 0.00 -0.61 0.00 0.00 39.78 39.34 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 -3.59 0.00 -0.34 3.41 -1.32 -1.21 -4.95 115.64 107.65 1g3i s THR 141 Ca 0.43 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.89 1g3i s THR 141 Cb 0.39 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.51 1g3i s THR 141 CO -0.03 0.00 2.36 -0.62 -2.21 0.00 0.00 174.62 174.12 1g3i n GLU 142 N 1.19 2.00 -2.72 7.08 -0.58 -1.26 -4.65 120.64 121.70 1g3i n GLU 142 Ca -0.08 -1.76 -0.34 0.00 -0.42 0.00 0.00 57.16 54.56 1g3i n GLU 142 Cb 0.57 -1.80 -0.06 0.00 -0.57 0.00 0.00 31.44 29.59 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 -1.81 3.97 0.41 -4.62 1.43 -1.26 -5.02 118.68 111.78 1g3i s LEU 143 Ca 0.42 1.80 -0.27 0.00 -1.03 0.00 0.00 54.13 55.05 1g3i s LEU 143 Cb 0.29 -4.46 -0.10 0.00 0.03 0.00 0.00 46.19 41.95 1g3i s LEU 143 CO -0.08 -0.46 1.45 -0.55 0.23 0.00 0.00 176.35 176.94 1g3i s SER 144 N -2.02 6.14 0.08 2.29 0.15 -1.26 -4.84 113.70 114.25 1g3i s SER 144 Ca 0.62 2.97 -0.32 0.00 0.70 0.00 0.00 55.95 59.92 1g3i s SER 144 Cb -0.13 -2.66 -0.14 0.00 -1.71 0.00 0.00 66.02 61.37 1g3i s SER 144 CO 0.17 -1.00 1.50 0.00 1.20 0.00 0.00 173.24 175.11 1g3i h ALA 145 N 2.70 -1.05 -0.62 5.45 0.00 -1.94 0.42 119.26 124.22 1g3i h ALA 145 Ca -0.51 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.37 1g3i h ALA 145 Cb 1.25 0.76 -0.12 0.00 0.00 0.00 0.00 17.79 19.68 1g3i h ALA 145 CO 0.63 -1.11 -0.34 1.25 0.00 0.00 0.00 179.25 179.68 1g3i h HIS 146 N -0.81 -0.94 -0.43 0.00 -0.00 -1.92 -1.44 115.15 109.61 1g3i h HIS 146 Ca -0.04 0.07 0.08 0.00 -0.00 0.00 0.00 60.37 60.49 1g3i h HIS 146 Cb 0.74 0.50 -0.07 0.00 -0.00 0.00 0.00 27.41 28.58 1g3i h HIS 146 CO -0.32 -0.38 0.01 0.93 -0.00 0.00 0.00 177.93 178.17 1g3i h GLU 147 N -0.15 0.12 -0.37 5.26 5.08 -1.75 -1.83 114.58 120.94 1g3i h GLU 147 Ca 0.24 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.67 1g3i h GLU 147 Cb 0.55 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 1g3i h GLU 147 CO -0.70 0.08 -0.12 0.82 -1.00 0.00 0.00 179.01 178.09 1g3i h ILE 148 N 0.13 0.57 -0.19 3.13 2.04 0.16 -0.34 117.51 123.00 1g3i h ILE 148 Ca 0.22 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.12 1g3i h ILE 148 Cb 0.31 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 1g3i h ILE 148 CO -0.35 0.00 -0.41 0.58 0.00 0.00 0.00 178.15 177.97 1g3i h VAL 149 N -0.04 0.15 -0.44 1.67 2.07 -1.02 0.19 116.25 118.83 1g3i h VAL 149 Ca 0.18 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.78 1g3i h VAL 149 Cb 0.32 0.15 -0.09 0.00 -1.52 0.00 0.00 31.29 30.14 1g3i h VAL 149 CO -0.41 0.00 -0.42 -0.08 0.02 0.00 0.00 177.57 176.69 1g3i h GLU 150 N -0.45 -0.29 -0.24 1.57 4.22 -0.55 0.27 114.58 119.12 1g3i h GLU 150 Ca 0.09 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.54 1g3i h GLU 150 Cb 0.61 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1g3i h GLU 150 CO -0.43 -0.19 0.12 0.87 -2.18 0.00 0.00 179.01 177.19 1g3i h LYS 151 N -0.30 0.34 -0.47 1.92 1.79 -0.36 -2.75 116.57 116.74 1g3i h LYS 151 Ca 0.15 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.53 1g3i h LYS 151 Cb 0.58 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 1g3i h LYS 151 CO -0.59 0.33 0.09 0.77 -1.08 0.00 0.00 179.45 178.97 1g3i h SER 152 N 0.26 0.66 -0.47 0.86 0.02 -0.22 -0.83 113.55 113.83 1g3i h SER 152 Ca 0.08 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1g3i h SER 152 Cb 0.10 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1g3i h SER 152 CO -0.01 0.67 0.28 -0.07 -1.14 0.00 0.00 176.83 176.57 1g3i h LEU 153 N 0.69 0.56 0.01 5.07 3.38 -0.83 -1.42 115.31 122.78 1g3i h LEU 153 Ca 0.15 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1g3i h LEU 153 Cb 0.29 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1g3i h LEU 153 CO 0.00 0.45 -0.01 -0.09 0.09 0.00 0.00 178.44 178.89 1g3i h ARG 154 N 0.62 -0.01 -0.71 1.13 2.43 -1.06 0.46 114.38 117.24 1g3i h ARG 154 Ca 0.17 0.00 0.24 0.00 -0.81 0.00 0.00 59.98 59.58 1g3i h ARG 154 Cb -0.01 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.42 1g3i h ARG 154 CO -0.03 -0.01 0.17 -0.89 -1.51 0.00 0.00 179.97 177.70 1g3i n ILE 155 N -2.16 -0.30 -0.03 1.20 5.41 -0.39 0.82 119.36 123.91 1g3i n ILE 155 Ca -0.00 1.51 -0.13 0.00 1.00 0.00 0.00 62.75 65.12 1g3i n ILE 155 Cb 0.01 -2.31 -0.10 0.00 -0.71 0.00 0.00 39.64 36.53 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 1.42 0.03 -0.06 -1.39 0.00 -0.88 -2.92 119.26 115.45 1g3i h ALA 156 Ca 0.50 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1g3i h ALA 156 Cb 1.18 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1g3i h ALA 156 CO -0.62 -0.13 0.13 0.78 0.00 0.00 0.00 179.25 179.41 1g3i h GLY 157 N -0.53 0.00 1.84 0.00 0.00 0.53 0.93 103.07 105.85 1g3i h GLY 157 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1g3i h GLY 157 CO 0.01 0.00 -0.15 -0.55 0.00 0.00 0.00 176.54 175.85 1g3i h ASP 158 N 0.00 0.00 0.00 0.19 3.45 -0.91 -3.34 116.42 115.81 1g3i h ASP 158 Ca 0.03 -0.00 -0.34 0.00 0.43 0.00 0.00 57.03 57.15 1g3i h ASP 158 Cb 0.29 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 38.99 1g3i h ASP 158 CO -0.00 0.00 -2.28 -0.38 -1.57 0.00 0.00 179.24 175.01 1g3i n ILE 159 N -2.98 1.28 -3.44 0.35 5.41 0.12 -4.96 119.36 115.14 1g3i n ILE 159 Ca 0.04 -0.74 -0.38 0.00 1.00 0.00 0.00 62.75 62.67 1g3i n ILE 159 Cb 0.53 -0.63 -0.06 0.00 -0.71 0.00 0.00 39.64 38.76 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 2.90 0.58 -0.94 0.00 0.24 -1.26 -2.99 118.33 116.86 1g3i n VAL 161 Ca -0.11 -0.10 0.07 0.00 -2.04 0.00 0.00 64.34 62.16 1g3i n VAL 161 Cb 0.52 -0.73 0.37 0.00 -1.47 0.00 0.00 33.84 32.53 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 -2.11 1.79 -3.98 6.34 3.72 -1.26 -4.90 117.46 117.07 1g3i n PHE 162 Ca 0.05 -0.78 -0.17 0.00 -0.05 0.00 0.00 57.45 56.50 1g3i n PHE 162 Cb 0.36 -0.47 -0.16 0.00 -0.94 0.00 0.00 39.48 38.27 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 -2.80 0.23 0.03 4.37 2.01 -1.16 -1.89 115.64 116.42 1g3i s THR 163 Ca 0.52 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.54 1g3i s THR 163 Cb 0.40 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.63 1g3i s THR 163 CO 0.14 0.14 0.03 -0.46 -0.69 0.00 0.00 174.62 173.77 1g3i n ASN 164 N 3.88 0.55 -0.33 3.53 2.04 -1.26 -4.62 115.26 119.04 1g3i n ASN 164 Ca -0.24 -1.08 0.08 0.00 -0.44 0.00 0.00 54.58 52.90 1g3i n ASN 164 Cb 0.52 -0.01 -0.01 0.00 -2.53 0.00 0.00 39.78 37.75 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 -0.83 0.00 -2.37 5.53 -2.24 -1.26 -4.56 114.28 108.55 1g3i n THR 165 Ca 0.00 -0.33 -0.41 0.00 -2.27 0.00 0.00 64.05 61.04 1g3i n THR 165 Cb 0.03 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.40 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 -1.87 5.99 0.49 3.42 3.84 -1.26 -4.96 114.94 120.58 1g3i s ASN 166 Ca 0.12 0.10 0.04 0.00 0.21 0.00 0.00 52.86 53.34 1g3i s ASN 166 Cb 0.12 -2.55 0.02 0.00 -0.55 0.00 0.00 41.25 38.30 1g3i s ASN 166 CO 0.40 -1.86 0.68 -0.36 -2.79 0.00 0.00 177.10 173.17 1g3i s PHE 167 N 6.50 2.82 -0.16 0.43 2.99 -1.26 -2.21 117.98 127.08 1g3i s PHE 167 Ca 0.50 -0.20 -0.05 0.00 0.00 0.00 0.00 56.93 57.19 1g3i s PHE 167 Cb -0.10 -2.58 0.08 0.00 0.00 0.00 0.00 43.02 40.42 1g3i s PHE 167 CO 0.22 -0.67 0.30 0.99 -0.00 0.00 0.00 175.22 176.05 1g3i s THR 168 N -2.57 -0.46 -0.01 0.64 2.01 -0.93 -4.96 115.64 109.35 1g3i s THR 168 Ca 0.56 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.76 1g3i s THR 168 Cb -0.10 -0.56 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 1g3i s THR 168 CO 0.36 0.03 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.57 1g3i s ILE 169 N 2.45 0.98 -0.05 1.82 1.01 -1.26 -2.36 121.20 123.78 1g3i s ILE 169 Ca 0.03 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1g3i s ILE 169 Cb -0.13 -0.82 0.02 0.00 0.01 0.00 0.00 42.46 41.54 1g3i s ILE 169 CO -0.11 0.28 -0.06 -1.61 0.00 0.00 0.00 174.94 173.44 1g3i s GLU 170 N -0.24 1.01 0.26 2.79 0.41 -0.79 -5.02 118.70 117.13 1g3i s GLU 170 Ca 0.04 -0.18 0.11 0.00 -0.41 0.00 0.00 54.97 54.53 1g3i s GLU 170 Cb -0.05 -0.95 -0.05 0.00 -1.78 0.00 0.00 34.13 31.30 1g3i s GLU 170 CO -0.00 -0.05 -0.10 -1.83 -0.49 0.00 0.00 175.26 172.78 1g3i s GLU 171 N 0.82 1.99 -0.60 1.61 -1.05 -1.26 -0.66 118.70 119.56 1g3i s GLU 171 Ca -0.12 -1.54 -0.05 0.00 -0.15 0.00 0.00 54.97 53.10 1g3i s GLU 171 Cb -0.15 -1.99 0.15 0.00 -0.44 0.00 0.00 34.13 31.71 1g3i s GLU 171 CO 0.01 0.36 0.43 -0.51 0.95 0.00 0.00 175.26 176.50 1g3i s LEU 172 N -3.46 5.50 0.00 1.83 1.43 0.17 -4.97 118.68 119.18 1g3i s LEU 172 Ca 0.29 -2.58 0.00 0.00 -1.03 0.00 0.00 54.13 50.82 1g3i s LEU 172 Cb -0.06 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.24 1g3i s LEU 172 CO 0.17 -0.47 0.27 -0.81 0.23 0.00 0.00 176.35 175.74