#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lb1 s ILE 4 N 0.00 4.56 -0.17 0.00 -1.09 -1.01 -4.91 121.20 118.58 1lb1 s ILE 4 Ca 0.00 1.89 -0.02 0.00 -2.23 0.00 0.00 60.65 60.28 1lb1 s ILE 4 Cb 0.00 -4.24 -0.02 0.00 -1.58 0.00 0.00 42.46 36.63 1lb1 s ILE 4 CO 0.00 0.35 -0.08 -0.13 -1.23 0.00 0.00 174.94 173.85 1lb1 s ARG 5 N -0.13 3.45 0.02 2.79 0.52 -1.26 0.59 118.95 124.92 1lb1 s ARG 5 Ca 0.43 -0.63 0.03 0.00 -0.52 0.00 0.00 55.73 55.05 1lb1 s ARG 5 Cb -0.22 -2.83 -0.02 0.00 0.52 0.00 0.00 34.95 32.40 1lb1 s ARG 5 CO 0.27 0.08 -0.10 0.15 0.02 0.00 0.00 175.30 175.71 1lb1 s LYS 6 N 0.75 0.73 -0.23 3.54 -0.14 -0.91 -4.97 119.74 118.51 1lb1 s LYS 6 Ca -0.03 -0.56 -0.08 0.00 -1.36 0.00 0.00 55.97 53.93 1lb1 s LYS 6 Cb -0.15 -0.68 -0.04 0.00 -1.68 0.00 0.00 37.83 35.29 1lb1 s LYS 6 CO 0.02 0.17 0.09 0.21 -0.76 0.00 0.00 175.35 175.07 1lb1 s LYS 7 N -0.83 3.80 -0.17 1.68 2.20 -1.26 -0.20 119.74 124.96 1lb1 s LYS 7 Ca -0.00 -0.41 -0.02 0.00 -0.36 0.00 0.00 55.97 55.18 1lb1 s LYS 7 Cb -0.06 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.90 1lb1 s LYS 7 CO 0.00 -0.05 -0.09 -1.17 -0.36 0.00 0.00 175.35 173.68 1lb1 s LEU 8 N 1.27 2.78 -0.18 5.43 0.20 0.53 -1.08 118.68 127.63 1lb1 s LEU 8 Ca 0.05 -0.36 -0.00 0.00 0.69 0.00 0.00 54.13 54.51 1lb1 s LEU 8 Cb -0.15 -1.66 0.01 0.00 -0.43 0.00 0.00 46.19 43.96 1lb1 s LEU 8 CO 0.04 0.08 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.35 1lb1 s VAL 9 N 0.86 2.57 -0.23 1.68 1.01 -1.02 -0.87 120.40 124.40 1lb1 s VAL 9 Ca -0.03 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 1lb1 s VAL 9 Cb -0.15 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1lb1 s VAL 9 CO 0.01 0.50 0.36 -0.51 0.00 0.00 0.00 175.10 175.46 1lb1 s ILE 10 N 1.19 5.21 0.41 2.22 2.07 -1.06 -1.90 121.20 129.34 1lb1 s ILE 10 Ca 0.02 0.61 0.07 0.00 -1.41 0.00 0.00 60.65 59.94 1lb1 s ILE 10 Cb -0.14 -3.69 -0.08 0.00 0.13 0.00 0.00 42.46 38.68 1lb1 s ILE 10 CO -0.07 0.24 0.03 0.68 -1.91 0.00 0.00 174.94 173.91 1lb1 s VAL 11 N 1.49 2.02 0.00 4.00 -7.23 -0.52 -3.97 120.40 116.19 1lb1 s VAL 11 Ca 0.17 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 1lb1 s VAL 11 Cb -0.15 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.80 1lb1 s VAL 11 CO 0.08 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 1lb1 n GLY 12 N -1.00 3.03 3.57 2.32 0.00 -1.26 -1.76 105.19 110.09 1lb1 n GLY 12 Ca -0.05 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.73 1lb1 n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lb1 n ASP 13 N 0.00 0.20 -4.79 1.61 9.92 -1.26 -4.90 116.55 117.34 1lb1 n ASP 13 Ca 0.00 0.78 -0.32 0.00 -0.53 0.00 0.00 54.79 54.72 1lb1 n ASP 13 Cb 0.00 -1.32 0.05 0.00 -0.64 0.00 0.00 41.12 39.20 1lb1 n ASP 13 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1lb1 s GLY 14 N -1.24 1.99 -1.62 0.44 0.00 -1.26 -3.29 107.32 102.35 1lb1 s GLY 14 Ca 0.74 0.39 -0.01 0.00 0.00 0.00 0.00 44.72 45.84 1lb1 s GLY 14 CO 0.49 0.73 0.16 0.00 0.00 0.00 0.00 173.10 174.47 1lb1 n ALA 15 N -2.61 -0.67 0.03 3.20 0.00 -1.26 -4.83 120.51 114.37 1lb1 n ALA 15 Ca 0.09 0.19 0.04 0.00 0.00 0.00 0.00 53.44 53.76 1lb1 n ALA 15 Cb 0.53 -2.53 0.07 0.00 0.00 0.00 0.00 19.45 17.52 1lb1 n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lb1 n GLY 17 N 0.23 0.61 0.24 0.00 0.00 -1.26 -4.25 105.19 100.75 1lb1 n GLY 17 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 1lb1 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lb1 h LYS 18 N 4.57 -0.13 -0.67 1.61 1.57 -1.94 -0.84 116.57 120.73 1lb1 h LYS 18 Ca 0.00 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1lb1 h LYS 18 Cb 0.00 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1lb1 h LYS 18 CO 0.00 -0.09 0.44 1.15 -0.57 0.00 0.00 179.45 180.38 1lb1 h THR 19 N -0.14 1.07 -0.48 -0.16 2.02 -1.95 -2.49 112.91 110.78 1lb1 h THR 19 Ca 0.06 -0.26 -0.13 0.00 0.77 0.00 0.00 66.41 66.85 1lb1 h THR 19 Cb 0.29 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1lb1 h THR 19 CO -0.39 0.14 -0.21 0.00 0.37 0.00 0.00 175.52 175.44 1lb1 h LEU 21 N 0.83 0.34 -0.82 0.00 5.85 -0.75 0.78 115.31 121.54 1lb1 h LEU 21 Ca 0.11 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1lb1 h LEU 21 Cb 0.78 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1lb1 h LEU 21 CO 0.06 0.24 0.41 -0.07 -0.34 0.00 0.00 178.44 178.74 1lb1 h LEU 22 N 0.40 1.06 0.28 2.25 3.38 -1.35 -0.75 115.31 120.59 1lb1 h LEU 22 Ca 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1lb1 h LEU 22 Cb -0.04 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.44 1lb1 h LEU 22 CO -0.03 0.89 -0.14 0.40 0.09 0.00 0.00 178.44 179.65 1lb1 h ILE 23 N 1.16 0.70 -0.52 1.22 1.08 -0.55 -1.02 117.51 119.58 1lb1 h ILE 23 Ca 0.28 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.77 1lb1 h ILE 23 Cb 0.10 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.52 1lb1 h ILE 23 CO -0.04 0.00 0.32 0.58 -0.69 0.00 0.00 178.15 178.32 1lb1 h VAL 24 N -0.39 1.07 0.47 1.67 2.07 -0.62 -1.80 116.25 118.71 1lb1 h VAL 24 Ca -0.04 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1lb1 h VAL 24 Cb 0.31 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1lb1 h VAL 24 CO 0.05 0.12 -0.22 0.15 0.02 0.00 0.00 177.57 177.69 1lb1 h PHE 25 N 0.64 -0.58 0.00 1.57 3.57 -1.03 1.56 116.94 122.66 1lb1 h PHE 25 Ca 0.20 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1lb1 h PHE 25 Cb -0.00 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 1lb1 h PHE 25 CO -0.06 -0.27 -0.05 0.66 -2.23 0.00 0.00 178.31 176.36 1lb1 h SER 26 N -0.84 0.00 -0.00 0.41 4.64 -1.17 -2.95 113.55 113.63 1lb1 h SER 26 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1lb1 h SER 26 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1lb1 h SER 26 CO 0.10 0.05 -0.32 0.29 -0.87 0.00 0.00 176.83 176.09 1lb1 n LYS 27 N -4.16 3.48 -3.87 4.77 5.02 -0.68 -5.02 118.16 117.70 1lb1 n LYS 27 Ca -0.03 -0.21 -0.26 0.00 -2.02 0.00 0.00 58.31 55.79 1lb1 n LYS 27 Cb 0.14 -0.95 0.01 0.00 -0.02 0.00 0.00 35.03 34.21 1lb1 n LYS 27 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1lb1 n ASP 28 N -0.86 -2.46 -3.46 4.39 2.03 0.53 -4.96 116.55 111.76 1lb1 n ASP 28 Ca 0.02 -0.86 0.01 0.00 0.52 0.00 0.00 54.79 54.49 1lb1 n ASP 28 Cb 0.15 -3.69 -0.05 0.00 -0.72 0.00 0.00 41.12 36.81 1lb1 n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1lb1 s GLN 29 N -6.40 0.23 0.01 -0.67 -2.07 -1.12 -5.04 119.66 104.61 1lb1 s GLN 29 Ca 0.30 0.50 -0.30 0.00 -1.82 0.00 0.00 55.36 54.04 1lb1 s GLN 29 Cb -0.15 0.21 -0.05 0.00 -1.09 0.00 0.00 33.01 31.93 1lb1 s GLN 29 CO 0.84 -0.07 1.27 0.12 -1.32 0.00 0.00 175.29 176.14 1lb1 s PHE 30 N 1.89 3.18 0.43 9.60 5.36 -1.26 -4.51 117.98 132.66 1lb1 s PHE 30 Ca -0.04 1.10 -0.26 0.00 -0.96 0.00 0.00 56.93 56.77 1lb1 s PHE 30 Cb -0.04 -3.51 -0.09 0.00 -0.34 0.00 0.00 43.02 39.04 1lb1 s PHE 30 CO -0.15 -1.73 1.40 -2.14 -1.46 0.00 0.00 175.22 171.14 1lb1 s PRO 31 N 1.79 3.83 -0.23 10.12 0.02 -1.26 -4.96 135.00 144.31 1lb1 s PRO 31 Ca 0.60 2.37 -0.13 0.00 0.02 0.00 0.00 61.00 63.86 1lb1 s PRO 31 Cb -0.29 -2.74 -0.10 0.00 0.02 0.00 0.00 34.50 31.40 1lb1 s PRO 31 CO 0.26 -0.68 -0.32 -1.91 -0.33 0.00 0.00 177.00 174.02 1lb1 n GLU 32 N 0.00 0.52 0.02 5.54 2.13 -1.26 -4.84 120.64 122.75 1lb1 n GLU 32 Ca 0.04 0.22 -0.01 0.00 0.66 0.00 0.00 57.16 58.08 1lb1 n GLU 32 Cb 0.42 -1.38 -0.00 0.00 0.27 0.00 0.00 31.44 30.74 1lb1 n GLU 32 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1lb1 h VAL 33 N -0.90 0.00 -3.35 6.31 -1.51 -2.06 -3.46 116.25 111.29 1lb1 h VAL 33 Ca -0.50 -0.14 -0.67 0.00 -1.23 0.00 0.00 66.70 64.16 1lb1 h VAL 33 Cb 1.42 0.00 -0.30 0.00 -2.13 0.00 0.00 31.29 30.28 1lb1 h VAL 33 CO -0.31 0.00 -0.82 -0.47 -1.23 0.00 0.00 177.57 174.74 1lb1 s TYR 34 N -1.70 2.68 -0.36 5.19 5.04 -1.26 -5.10 117.35 121.84 1lb1 s TYR 34 Ca -0.01 -0.84 -0.18 0.00 -2.44 0.00 0.00 57.07 53.60 1lb1 s TYR 34 Cb 0.00 -1.77 -0.00 0.00 0.35 0.00 0.00 41.96 40.54 1lb1 s TYR 34 CO 0.03 -0.31 0.51 0.08 -1.34 0.00 0.00 175.55 174.52 1lb1 s VAL 35 N 0.33 5.02 0.56 3.14 1.01 -1.26 -4.84 120.40 124.35 1lb1 s VAL 35 Ca -0.15 0.26 -0.19 0.00 0.00 0.00 0.00 61.98 61.91 1lb1 s VAL 35 Cb -0.17 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 1lb1 s VAL 35 CO 0.07 -0.25 0.60 -2.65 0.00 0.00 0.00 175.10 172.87 1lb1 n PRO 36 N 5.75 0.59 -0.11 2.72 -0.02 -1.26 -4.93 135.00 137.74 1lb1 n PRO 36 Ca -0.05 0.23 -0.15 0.00 -2.02 0.00 0.00 63.50 61.51 1lb1 n PRO 36 Cb 0.49 -1.76 -0.14 0.00 -0.02 0.00 0.00 33.50 32.08 1lb1 n PRO 36 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1lb1 n THR 37 N -1.61 1.47 -3.53 3.45 -1.04 -1.26 -4.83 114.28 106.93 1lb1 n THR 37 Ca 0.12 -0.68 -0.37 0.00 -2.04 0.00 0.00 64.05 61.08 1lb1 n THR 37 Cb 0.47 -1.08 -0.07 0.00 -1.82 0.00 0.00 70.33 67.83 1lb1 n THR 37 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1lb1 s VAL 38 N -2.51 5.25 -0.35 12.58 1.01 -1.26 -4.99 120.40 130.13 1lb1 s VAL 38 Ca -0.25 0.63 -0.00 0.00 0.00 0.00 0.00 61.98 62.36 1lb1 s VAL 38 Cb 0.08 -3.65 0.14 0.00 0.00 0.00 0.00 36.38 32.94 1lb1 s VAL 38 CO 0.69 0.44 0.21 0.12 0.00 0.00 0.00 175.10 176.56 1lb1 s PHE 39 N 0.06 0.73 0.55 5.22 5.36 -1.26 -5.11 117.98 123.53 1lb1 s PHE 39 Ca 0.19 -1.60 -0.17 0.00 -0.96 0.00 0.00 56.93 54.39 1lb1 s PHE 39 Cb -0.14 -0.94 -0.06 0.00 -0.34 0.00 0.00 43.02 41.54 1lb1 s PHE 39 CO 0.07 -0.83 1.04 -1.21 -1.46 0.00 0.00 175.22 172.83 1lb1 s GLU 40 N 1.12 3.55 -0.44 10.12 2.02 -1.26 -4.31 118.70 129.50 1lb1 s GLU 40 Ca 0.17 1.22 -0.40 0.00 0.02 0.00 0.00 54.97 55.98 1lb1 s GLU 40 Cb -0.23 -2.06 -0.17 0.00 0.10 0.00 0.00 34.13 31.77 1lb1 s GLU 40 CO -0.02 -0.63 1.54 0.09 0.02 0.00 0.00 175.26 176.27 1lb1 n ASN 41 N -1.64 0.94 -4.11 -0.19 4.13 -1.26 -4.93 115.26 108.20 1lb1 n ASN 41 Ca 0.09 0.91 -0.22 0.00 1.68 0.00 0.00 54.58 57.03 1lb1 n ASN 41 Cb 0.53 -0.78 -0.15 0.00 -1.54 0.00 0.00 39.78 37.85 1lb1 n ASN 41 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1lb1 s TYR 42 N 3.42 1.24 -0.26 3.10 5.04 -0.99 -4.97 117.35 123.93 1lb1 s TYR 42 Ca 0.96 -0.25 -0.09 0.00 -2.44 0.00 0.00 57.07 55.24 1lb1 s TYR 42 Cb -1.31 -0.79 -0.04 0.00 0.35 0.00 0.00 41.96 40.17 1lb1 s TYR 42 CO 0.68 -0.01 0.13 0.08 -1.34 0.00 0.00 175.55 175.08 1lb1 s VAL 43 N -0.41 4.81 -0.10 3.14 1.01 -1.26 0.96 120.40 128.55 1lb1 s VAL 43 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1lb1 s VAL 43 Cb -0.06 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1lb1 s VAL 43 CO -0.00 0.30 0.02 0.00 0.00 0.00 0.00 175.10 175.42 1lb1 s ALA 44 N 1.64 3.35 -0.33 5.51 0.00 0.11 -4.90 121.76 127.15 1lb1 s ALA 44 Ca 0.07 -0.78 -0.21 0.00 0.00 0.00 0.00 51.96 51.04 1lb1 s ALA 44 Cb -0.15 -1.58 -0.00 0.00 0.00 0.00 0.00 23.12 21.39 1lb1 s ALA 44 CO 0.07 0.55 0.65 -0.51 0.00 0.00 0.00 175.76 176.51 1lb1 s ASP 45 N -0.75 6.48 0.05 0.00 -0.00 -1.26 -0.92 116.67 120.27 1lb1 s ASP 45 Ca 0.12 0.32 0.03 0.00 -0.00 0.00 0.00 52.55 53.02 1lb1 s ASP 45 Cb -0.12 -2.33 -0.03 0.00 -0.00 0.00 0.00 42.92 40.44 1lb1 s ASP 45 CO 0.02 -0.54 -0.09 -0.51 -0.00 0.00 0.00 175.17 174.05 1lb1 s ILE 46 N 2.69 0.70 -0.09 0.77 2.07 -0.90 -5.02 121.20 121.42 1lb1 s ILE 46 Ca 0.25 -1.18 -0.00 0.00 -1.41 0.00 0.00 60.65 58.31 1lb1 s ILE 46 Cb -0.15 -0.78 0.02 0.00 0.13 0.00 0.00 42.46 41.69 1lb1 s ILE 46 CO 0.13 -0.36 -0.06 -0.70 -1.91 0.00 0.00 174.94 172.04 1lb1 s GLU 47 N -1.73 1.24 0.03 3.50 2.12 -1.26 -1.38 118.70 121.22 1lb1 s GLU 47 Ca -0.07 -0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.12 1lb1 s GLU 47 Cb -0.09 -1.32 -0.02 0.00 0.26 0.00 0.00 34.13 32.96 1lb1 s GLU 47 CO 0.01 -0.21 -0.09 0.14 -0.54 0.00 0.00 175.26 174.57 1lb1 s VAL 48 N 1.52 0.69 -1.50 3.70 -7.23 -1.11 -4.78 120.40 111.68 1lb1 s VAL 48 Ca 0.00 -0.78 -0.12 0.00 -1.81 0.00 0.00 61.98 59.27 1lb1 s VAL 48 Cb -0.13 -0.66 0.07 0.00 0.56 0.00 0.00 36.38 36.22 1lb1 s VAL 48 CO -0.05 -0.09 0.98 0.47 -0.31 0.00 0.00 175.10 176.10 1lb1 n ASP 49 N 2.08 -4.65 -2.78 4.85 10.43 -1.26 -0.97 116.55 124.25 1lb1 n ASP 49 Ca -0.18 -0.76 -0.17 0.00 2.57 0.00 0.00 54.79 56.25 1lb1 n ASP 49 Cb 0.56 -4.00 -0.00 0.00 1.84 0.00 0.00 41.12 39.52 1lb1 n ASP 49 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1lb1 n GLY 50 N -1.71 -0.50 2.98 0.44 0.00 -1.26 -4.96 105.19 100.18 1lb1 n GLY 50 Ca 0.01 0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1lb1 n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lb1 s LYS 51 N -5.40 1.90 -0.14 1.61 1.02 -0.14 -5.11 119.74 113.48 1lb1 s LYS 51 Ca 0.15 -0.41 -0.29 0.00 0.02 0.00 0.00 55.97 55.44 1lb1 s LYS 51 Cb -0.08 -1.79 -0.02 0.00 -0.52 0.00 0.00 37.83 35.42 1lb1 s LYS 51 CO 0.19 -0.20 1.36 -0.65 -0.92 0.00 0.00 175.35 175.12 1lb1 s GLN 52 N 1.44 4.22 0.02 1.68 -1.52 -1.26 -2.77 119.66 121.47 1lb1 s GLN 52 Ca 0.02 1.79 0.08 0.00 -1.95 0.00 0.00 55.36 55.30 1lb1 s GLN 52 Cb -0.13 -3.82 -0.02 0.00 -0.22 0.00 0.00 33.01 28.81 1lb1 s GLN 52 CO -0.07 -0.74 -0.25 0.08 -0.25 0.00 0.00 175.29 174.06 1lb1 s VAL 53 N 3.64 1.98 -0.59 1.09 1.01 -0.48 -2.42 120.40 124.62 1lb1 s VAL 53 Ca 0.59 -1.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 1lb1 s VAL 53 Cb -0.24 -1.68 0.15 0.00 0.00 0.00 0.00 36.38 34.61 1lb1 s VAL 53 CO 0.18 0.40 0.44 -1.61 0.00 0.00 0.00 175.10 174.52 1lb1 s GLU 54 N -0.99 2.65 -0.41 2.72 2.02 0.20 -2.12 118.70 122.77 1lb1 s GLU 54 Ca 0.10 -2.24 -0.25 0.00 0.02 0.00 0.00 54.97 52.60 1lb1 s GLU 54 Cb -0.10 -3.88 0.02 0.00 0.10 0.00 0.00 34.13 30.27 1lb1 s GLU 54 CO 0.01 -1.19 0.89 -1.17 0.02 0.00 0.00 175.26 173.82 1lb1 s LEU 55 N 0.48 4.04 -0.30 1.80 2.96 -0.10 -2.13 118.68 125.44 1lb1 s LEU 55 Ca 0.13 0.30 -0.27 0.00 -0.22 0.00 0.00 54.13 54.08 1lb1 s LEU 55 Cb -0.20 -3.17 0.01 0.00 0.50 0.00 0.00 46.19 43.33 1lb1 s LEU 55 CO -0.04 -0.91 0.96 0.00 -1.32 0.00 0.00 176.35 175.04 1lb1 s ALA 56 N 3.50 3.55 -0.30 5.97 0.00 0.73 0.09 121.76 135.30 1lb1 s ALA 56 Ca 0.36 -0.14 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 1lb1 s ALA 56 Cb -0.11 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1lb1 s ALA 56 CO 0.22 -1.29 0.28 -0.51 0.00 0.00 0.00 175.76 174.46 1lb1 s LEU 57 N 3.31 4.18 -0.26 0.00 1.43 0.27 -0.34 118.68 127.27 1lb1 s LEU 57 Ca 0.40 -0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.42 1lb1 s LEU 57 Cb -0.13 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.84 1lb1 s LEU 57 CO 0.12 -0.17 0.02 0.26 0.23 0.00 0.00 176.35 176.81 1lb1 s TRP 58 N 1.89 3.07 0.47 0.29 0.52 -0.05 -2.33 118.94 122.80 1lb1 s TRP 58 Ca 0.10 -1.00 -0.10 0.00 0.02 0.00 0.00 56.10 55.12 1lb1 s TRP 58 Cb -0.16 -2.17 -0.06 0.00 -1.15 0.00 0.00 33.47 29.93 1lb1 s TRP 58 CO 0.11 -0.57 0.84 0.34 0.02 0.00 0.00 176.95 177.69 1lb1 s ASP 59 N 1.48 6.43 0.00 2.95 2.15 -1.26 -2.58 116.67 125.84 1lb1 s ASP 59 Ca 0.04 1.19 0.00 0.00 0.43 0.00 0.00 52.55 54.20 1lb1 s ASP 59 Cb -0.16 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 1lb1 s ASP 59 CO -0.00 -0.54 0.51 0.35 -0.17 0.00 0.00 175.17 175.31 1lb1 n THR 60 N -1.80 0.25 -1.66 1.71 -2.24 -1.25 -4.93 114.28 104.35 1lb1 n THR 60 Ca 0.03 -0.42 -0.46 0.00 -2.27 0.00 0.00 64.05 60.94 1lb1 n THR 60 Cb 0.54 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 69.85 1lb1 n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lb1 n ALA 61 N -0.12 1.06 -0.00 6.98 0.00 -1.26 -1.85 120.51 125.32 1lb1 n ALA 61 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1lb1 n ALA 61 Cb 0.21 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.37 1lb1 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lb1 n GLY 62 N 2.59 0.12 0.03 0.00 0.00 -1.26 -4.91 105.19 101.76 1lb1 n GLY 62 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1lb1 n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lb1 n GLN 63 N -2.00 2.64 -0.12 1.61 10.64 -0.77 -4.75 117.38 124.63 1lb1 n GLN 63 Ca 0.00 -1.44 0.17 0.00 -1.83 0.00 0.00 57.00 53.90 1lb1 n GLN 63 Cb 0.00 -1.01 0.56 0.00 -0.86 0.00 0.00 30.24 28.93 1lb1 n GLN 63 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1lb1 h GLU 64 N 0.10 0.28 -0.15 2.61 3.07 -1.91 -1.85 114.58 116.74 1lb1 h GLU 64 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1lb1 h GLU 64 Cb 0.47 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1lb1 h GLU 64 CO 0.00 0.19 0.00 -0.25 -1.40 0.00 0.00 179.01 177.55 1lb1 n ASP 65 N -4.44 1.44 -3.96 1.42 10.43 -1.26 -4.69 116.55 115.48 1lb1 n ASP 65 Ca 0.13 -1.67 -0.30 0.00 2.57 0.00 0.00 54.79 55.51 1lb1 n ASP 65 Cb 0.57 -0.09 -0.15 0.00 1.84 0.00 0.00 41.12 43.29 1lb1 n ASP 65 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1lb1 s TYR 66 N -1.82 3.33 0.28 1.24 1.51 -0.69 -4.97 117.35 116.23 1lb1 s TYR 66 Ca 0.31 -2.95 0.36 0.00 -1.01 0.00 0.00 57.07 53.78 1lb1 s TYR 66 Cb 0.17 -2.75 1.85 0.00 -0.11 0.00 0.00 41.96 41.11 1lb1 s TYR 66 CO 0.25 -0.86 2.10 0.38 -1.11 0.00 0.00 175.55 176.31 1lb1 h ASP 67 N 7.20 0.00 -0.01 2.29 2.03 -1.83 -0.92 116.42 125.17 1lb1 h ASP 67 Ca -0.06 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.24 1lb1 h ASP 67 Cb 0.97 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 1lb1 h ASP 67 CO 0.57 0.00 -0.59 0.54 -1.03 0.00 0.00 179.24 178.74 1lb1 n ARG 68 N -2.85 1.34 -0.04 4.15 5.12 -1.26 -4.29 116.66 118.82 1lb1 n ARG 68 Ca -0.01 -0.50 -0.00 0.00 -1.93 0.00 0.00 57.85 55.40 1lb1 n ARG 68 Cb 0.13 -1.35 -0.13 0.00 -1.16 0.00 0.00 32.46 29.95 1lb1 n ARG 68 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1lb1 n LEU 69 N -0.66 0.00 -0.10 0.55 4.77 -0.98 -4.57 117.00 116.00 1lb1 n LEU 69 Ca 0.06 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1lb1 n LEU 69 Cb 0.34 0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.62 1lb1 n LEU 69 CO 0.29 0.20 0.99 -0.09 -1.33 0.00 0.00 177.39 177.45 1lb1 h ARG 70 N 0.00 0.46 0.00 3.23 2.43 -1.36 -2.97 114.38 116.17 1lb1 h ARG 70 Ca -0.22 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 1lb1 h ARG 70 Cb 1.40 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1lb1 h ARG 70 CO 0.01 0.34 -0.03 -1.35 -1.51 0.00 0.00 179.97 177.43 1lb1 h PRO 71 N 0.44 0.00 0.00 0.20 0.11 -1.81 -2.61 132.00 128.34 1lb1 h PRO 71 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1lb1 h PRO 71 Cb -0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1lb1 h PRO 71 CO -0.02 0.03 0.12 -0.07 -0.21 0.00 0.00 178.00 177.85 1lb1 h LEU 72 N 0.00 0.00 0.00 2.35 4.07 -1.78 -1.08 115.31 118.87 1lb1 h LEU 72 Ca -0.00 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 1lb1 h LEU 72 Cb 0.13 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 1lb1 h LEU 72 CO 0.00 0.00 -1.61 -1.20 -1.08 0.00 0.00 178.44 174.55 1lb1 n SER 73 N -2.32 0.46 0.24 -0.43 7.64 -0.98 -4.54 113.62 113.68 1lb1 n SER 73 Ca -0.01 0.19 0.09 0.00 1.01 0.00 0.00 58.87 60.15 1lb1 n SER 73 Cb 0.15 0.98 0.58 0.00 -1.01 0.00 0.00 64.21 64.90 1lb1 n SER 73 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1lb1 h TYR 74 N 0.00 0.00 -2.02 1.43 0.05 -1.37 -3.47 116.97 111.60 1lb1 h TYR 74 Ca -0.10 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 58.04 1lb1 h TYR 74 Cb 1.29 0.00 0.10 0.00 1.01 0.00 0.00 36.73 39.13 1lb1 h TYR 74 CO 0.00 0.20 0.06 -2.30 -1.05 0.00 0.00 178.16 175.08 1lb1 n PRO 75 N -3.72 1.03 -4.06 4.88 -0.02 -1.26 -2.67 135.00 129.18 1lb1 n PRO 75 Ca -0.01 0.36 -0.28 0.00 -2.02 0.00 0.00 63.50 61.55 1lb1 n PRO 75 Cb 0.32 -1.72 -0.04 0.00 -0.02 0.00 0.00 33.50 32.04 1lb1 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1lb1 n ASP 76 N 1.62 -0.36 -4.71 2.55 9.92 -1.26 -4.95 116.55 119.35 1lb1 n ASP 76 Ca 0.13 -1.06 -0.38 0.00 -0.53 0.00 0.00 54.79 52.94 1lb1 n ASP 76 Cb 0.28 -2.72 -0.06 0.00 -0.64 0.00 0.00 41.12 37.98 1lb1 n ASP 76 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1lb1 s THR 77 N -3.97 5.17 0.00 -3.53 2.01 -1.09 -4.68 115.64 109.54 1lb1 s THR 77 Ca 0.08 0.99 0.07 0.00 0.31 0.00 0.00 61.69 63.14 1lb1 s THR 77 Cb -0.05 -3.84 -0.24 0.00 0.01 0.00 0.00 72.50 68.39 1lb1 s THR 77 CO 0.92 0.30 0.83 0.44 -0.69 0.00 0.00 174.62 176.42 1lb1 h ASP 78 N 6.82 0.10 -4.37 3.53 3.32 -1.48 -3.48 116.42 120.86 1lb1 h ASP 78 Ca -0.40 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.38 1lb1 h ASP 78 Cb 1.18 -0.03 -0.22 0.00 0.22 0.00 0.00 39.33 40.48 1lb1 h ASP 78 CO 0.75 1.14 -0.16 0.54 -1.72 0.00 0.00 179.24 179.80 1lb1 s VAL 79 N -2.63 0.02 -0.18 -1.35 0.11 -0.97 -4.28 120.40 111.12 1lb1 s VAL 79 Ca -0.05 -0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 58.85 1lb1 s VAL 79 Cb 0.08 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.25 1lb1 s VAL 79 CO 0.83 -0.08 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.75 1lb1 s ILE 80 N -0.41 2.61 -0.89 7.04 1.01 -0.53 -2.45 121.20 127.59 1lb1 s ILE 80 Ca -0.05 -0.76 -0.17 0.00 0.00 0.00 0.00 60.65 59.66 1lb1 s ILE 80 Cb -0.03 -2.13 0.16 0.00 0.01 0.00 0.00 42.46 40.47 1lb1 s ILE 80 CO 0.03 0.50 0.99 -0.76 0.00 0.00 0.00 174.94 175.70 1lb1 s LEU 81 N 1.20 5.68 -0.23 2.97 1.43 -0.80 -1.17 118.68 127.76 1lb1 s LEU 81 Ca 0.02 -2.27 -0.22 0.00 -1.03 0.00 0.00 54.13 50.62 1lb1 s LEU 81 Cb -0.14 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 1lb1 s LEU 81 CO -0.06 -0.89 0.70 -0.32 0.23 0.00 0.00 176.35 176.01 1lb1 s MET 82 N 1.77 4.17 0.11 1.70 1.75 -1.05 -1.44 119.30 126.31 1lb1 s MET 82 Ca 0.27 0.72 0.00 0.00 -1.25 0.00 0.00 55.69 55.43 1lb1 s MET 82 Cb -0.07 -3.62 -0.04 0.00 2.84 0.00 0.00 34.83 33.94 1lb1 s MET 82 CO -0.09 -0.39 -0.01 0.00 -0.65 0.00 0.00 175.02 173.88 1lb1 s PHE 84 N -3.81 1.61 -0.19 0.00 -0.71 -0.41 -4.16 117.98 110.32 1lb1 s PHE 84 Ca 0.16 -1.16 -0.12 0.00 -1.04 0.00 0.00 56.93 54.76 1lb1 s PHE 84 Cb 0.07 -0.96 -0.05 0.00 -1.21 0.00 0.00 43.02 40.87 1lb1 s PHE 84 CO -0.03 -0.29 0.24 0.45 -1.34 0.00 0.00 175.22 174.24 1lb1 s SER 85 N -3.35 6.32 0.38 1.98 0.15 -1.26 -1.10 113.70 116.82 1lb1 s SER 85 Ca 0.37 0.36 0.14 0.00 0.70 0.00 0.00 55.95 57.52 1lb1 s SER 85 Cb 0.08 -2.15 0.97 0.00 -1.71 0.00 0.00 66.02 63.20 1lb1 s SER 85 CO 0.14 0.09 1.84 0.40 1.20 0.00 0.00 173.24 176.92 1lb1 h ILE 86 N 4.79 0.72 -0.65 6.45 1.08 -0.91 -0.65 117.51 128.34 1lb1 h ILE 86 Ca -0.40 -0.18 -0.40 0.00 -0.39 0.00 0.00 64.86 63.49 1lb1 h ILE 86 Cb 1.16 0.14 -0.19 0.00 -3.07 0.00 0.00 36.82 34.86 1lb1 h ILE 86 CO 0.74 0.10 0.51 -0.90 -0.69 0.00 0.00 178.15 177.90 1lb1 n ASP 87 N -4.57 5.49 -3.07 1.72 5.75 -1.26 -0.63 116.55 119.98 1lb1 n ASP 87 Ca 0.20 -3.20 -0.03 0.00 -0.01 0.00 0.00 54.79 51.74 1lb1 n ASP 87 Cb 0.63 -0.90 -0.01 0.00 -1.03 0.00 0.00 41.12 39.80 1lb1 n ASP 87 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1lb1 s SER 88 N -0.49 -1.18 0.19 -1.12 0.15 -0.25 -4.97 113.70 106.04 1lb1 s SER 88 Ca 0.40 -1.27 0.13 0.00 0.70 0.00 0.00 55.95 55.91 1lb1 s SER 88 Cb 0.32 1.74 0.70 0.00 -1.71 0.00 0.00 66.02 67.08 1lb1 s SER 88 CO 0.03 -0.13 1.40 -0.81 1.20 0.00 0.00 173.24 174.92 1lb1 n PRO 89 N 3.82 0.08 0.00 5.44 -0.04 -1.26 -1.64 135.00 141.40 1lb1 n PRO 89 Ca 0.14 0.58 -0.13 0.00 -0.04 0.00 0.00 63.50 64.05 1lb1 n PRO 89 Cb 0.55 -1.77 -0.10 0.00 -0.04 0.00 0.00 33.50 32.14 1lb1 n PRO 89 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1lb1 h ASP 90 N 0.00 -0.06 -0.56 3.54 3.45 -1.93 -2.72 116.42 118.13 1lb1 h ASP 90 Ca 0.00 -0.50 0.09 0.00 0.43 0.00 0.00 57.03 57.04 1lb1 h ASP 90 Cb 0.01 0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 38.76 1lb1 h ASP 90 CO 0.00 0.50 0.38 0.77 -1.57 0.00 0.00 179.24 179.32 1lb1 h SER 91 N -0.66 0.36 -0.51 6.45 4.64 -1.64 -0.87 113.55 121.33 1lb1 h SER 91 Ca -0.01 0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1lb1 h SER 91 Cb 0.56 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1lb1 h SER 91 CO 0.01 0.22 -0.17 0.25 -0.87 0.00 0.00 176.83 176.27 1lb1 h LEU 92 N 0.40 1.03 -2.38 5.97 6.46 -1.52 -2.73 115.31 122.55 1lb1 h LEU 92 Ca 0.26 -0.37 -0.00 0.00 -0.12 0.00 0.00 57.88 57.64 1lb1 h LEU 92 Cb 0.48 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1lb1 h LEU 92 CO -0.07 1.18 -0.02 -0.08 -0.62 0.00 0.00 178.44 178.83 1lb1 h GLU 93 N 0.89 0.00 0.00 1.25 4.57 -0.83 -1.25 114.58 119.21 1lb1 h GLU 93 Ca 0.12 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.20 1lb1 h GLU 93 Cb 0.75 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.33 1lb1 h GLU 93 CO 0.06 0.02 -0.51 -0.91 -1.18 0.00 0.00 179.01 176.49 1lb1 h ASN 94 N 0.00 0.00 -0.54 1.04 2.35 -1.33 -2.89 115.58 114.21 1lb1 h ASN 94 Ca -0.00 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.86 1lb1 h ASN 94 Cb 0.06 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.32 1lb1 h ASN 94 CO 0.00 0.51 -0.14 0.40 -1.65 0.00 0.00 177.43 176.56 1lb1 h ILE 95 N 0.00 0.46 0.07 2.81 1.08 -1.21 0.87 117.51 121.59 1lb1 h ILE 95 Ca -0.01 0.00 -0.31 0.00 -0.39 0.00 0.00 64.86 64.15 1lb1 h ILE 95 Cb 1.26 0.46 -0.03 0.00 -3.07 0.00 0.00 36.82 35.44 1lb1 h ILE 95 CO 0.07 0.00 -1.70 1.55 -0.69 0.00 0.00 178.15 177.37 1lb1 h PRO 96 N -0.00 0.15 -0.18 2.37 0.13 -1.70 0.40 132.00 133.15 1lb1 h PRO 96 Ca 0.26 -0.25 -0.19 0.00 -0.87 0.00 0.00 66.00 64.95 1lb1 h PRO 96 Cb 0.40 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1lb1 h PRO 96 CO -0.56 0.90 -0.65 1.49 -0.23 0.00 0.00 178.00 178.95 1lb1 h GLU 97 N 0.04 0.69 0.00 0.86 4.57 -1.27 -3.39 114.58 116.08 1lb1 h GLU 97 Ca -0.30 -0.50 0.00 0.00 -1.18 0.00 0.00 59.36 57.39 1lb1 h GLU 97 Cb 2.01 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.68 1lb1 h GLU 97 CO 0.11 1.12 0.00 1.17 -1.18 0.00 0.00 179.01 180.22 1lb1 n LYS 98 N -3.94 0.00 0.11 1.92 4.81 0.29 -4.83 118.16 116.53 1lb1 n LYS 98 Ca -0.05 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.26 1lb1 n LYS 98 Cb 0.67 -0.09 -0.06 0.00 0.02 0.00 0.00 35.03 35.57 1lb1 n LYS 98 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1lb1 h TRP 99 N 0.00 -0.98 -0.23 5.64 4.06 -1.44 -3.10 115.95 119.89 1lb1 h TRP 99 Ca 0.00 0.02 0.06 0.00 2.06 0.00 0.00 58.89 61.03 1lb1 h TRP 99 Cb 0.00 0.41 -0.06 0.00 -1.00 0.00 0.00 29.16 28.51 1lb1 h TRP 99 CO 0.00 -0.46 -0.18 1.15 -3.56 0.00 0.00 178.44 175.39 1lb1 h THR 100 N -0.58 0.51 -0.96 1.49 2.02 -1.13 0.23 112.91 114.49 1lb1 h THR 100 Ca 0.03 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.33 1lb1 h THR 100 Cb 0.61 0.51 -0.08 0.00 -1.74 0.00 0.00 68.15 67.46 1lb1 h THR 100 CO -0.21 0.00 0.61 -0.65 0.37 0.00 0.00 175.52 175.64 1lb1 h PRO 101 N -0.17 0.88 0.14 6.66 0.11 -1.76 -0.41 132.00 137.45 1lb1 h PRO 101 Ca 0.13 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 1lb1 h PRO 101 Cb 0.38 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.29 1lb1 h PRO 101 CO -0.34 0.58 -0.07 1.49 -0.21 0.00 0.00 178.00 179.45 1lb1 h GLU 102 N 0.90 -0.18 -0.65 1.05 4.81 -1.25 -2.69 114.58 116.57 1lb1 h GLU 102 Ca 0.47 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.84 1lb1 h GLU 102 Cb 0.54 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 1lb1 h GLU 102 CO -0.24 0.27 0.44 0.28 -0.73 0.00 0.00 179.01 179.03 1lb1 h VAL 103 N -0.78 0.83 0.00 0.32 2.07 -0.32 -0.58 116.25 117.79 1lb1 h VAL 103 Ca -0.02 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 1lb1 h VAL 103 Cb 0.54 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1lb1 h VAL 103 CO 0.03 0.06 -0.22 0.11 0.02 0.00 0.00 177.57 177.58 1lb1 h LYS 104 N 0.36 0.00 0.16 1.57 1.57 -1.11 -1.53 116.57 117.59 1lb1 h LYS 104 Ca 0.31 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.78 1lb1 h LYS 104 Cb 0.73 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.04 1lb1 h LYS 104 CO -0.08 0.22 -1.48 1.25 -0.57 0.00 0.00 179.45 178.79 1lb1 h HIS 105 N 0.00 0.62 0.00 -1.35 2.76 -0.77 -3.13 115.15 113.27 1lb1 h HIS 105 Ca -0.00 -0.45 -0.14 0.00 -2.20 0.00 0.00 60.37 57.57 1lb1 h HIS 105 Cb 1.17 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 30.08 1lb1 h HIS 105 CO 0.00 1.44 -1.74 1.19 -1.30 0.00 0.00 177.93 177.51 1lb1 n PHE 106 N -3.55 0.49 -2.78 5.26 3.72 -0.84 -4.50 117.46 115.26 1lb1 n PHE 106 Ca -0.16 0.16 -0.24 0.00 -0.05 0.00 0.00 57.45 57.16 1lb1 n PHE 106 Cb 1.06 -0.89 -0.02 0.00 -0.94 0.00 0.00 39.48 38.69 1lb1 n PHE 106 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1lb1 n PRO 108 N -0.25 1.72 -1.60 0.00 -0.04 -1.18 -2.00 135.00 131.64 1lb1 n PRO 108 Ca 0.31 0.61 -0.19 0.00 -0.04 0.00 0.00 63.50 64.19 1lb1 n PRO 108 Cb 0.56 -2.17 -0.08 0.00 -0.04 0.00 0.00 33.50 31.77 1lb1 n PRO 108 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1lb1 n ASN 109 N 0.65 -5.12 -4.66 3.54 3.02 -1.26 -4.96 115.26 106.47 1lb1 n ASN 109 Ca 0.07 0.46 -0.37 0.00 -0.03 0.00 0.00 54.58 54.71 1lb1 n ASN 109 Cb 0.37 -4.54 -0.09 0.00 -0.61 0.00 0.00 39.78 34.91 1lb1 n ASN 109 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1lb1 s VAL 110 N -2.65 5.28 0.30 2.41 1.01 -0.85 -5.04 120.40 120.85 1lb1 s VAL 110 Ca 0.00 0.44 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 1lb1 s VAL 110 Cb 0.00 -3.61 -0.13 0.00 0.00 0.00 0.00 36.38 32.64 1lb1 s VAL 110 CO 0.00 0.29 1.26 -0.81 0.00 0.00 0.00 175.10 175.84 1lb1 n PRO 111 N 4.44 1.90 -5.13 2.72 -0.04 -1.26 -4.80 135.00 132.82 1lb1 n PRO 111 Ca -0.12 0.67 -0.32 0.00 -0.04 0.00 0.00 63.50 63.69 1lb1 n PRO 111 Cb 0.52 -2.22 -0.16 0.00 -0.04 0.00 0.00 33.50 31.59 1lb1 n PRO 111 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1lb1 s ILE 112 N -0.78 2.27 -0.40 0.52 1.01 -1.26 -1.45 121.20 121.11 1lb1 s ILE 112 Ca 0.60 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 1lb1 s ILE 112 Cb -0.63 -1.88 0.10 0.00 0.01 0.00 0.00 42.46 40.06 1lb1 s ILE 112 CO 0.58 0.55 0.19 -0.63 0.00 0.00 0.00 174.94 175.63 1lb1 s ILE 113 N 0.27 3.42 0.25 2.92 -1.09 -0.32 0.12 121.20 126.77 1lb1 s ILE 113 Ca -0.15 -1.84 -0.30 0.00 -2.23 0.00 0.00 60.65 56.13 1lb1 s ILE 113 Cb -0.17 -3.24 -0.10 0.00 -1.58 0.00 0.00 42.46 37.37 1lb1 s ILE 113 CO 0.08 -0.57 1.35 -0.22 -1.23 0.00 0.00 174.94 174.34 1lb1 s LEU 114 N 1.21 4.41 -0.00 2.97 2.96 -0.77 -2.53 118.68 126.94 1lb1 s LEU 114 Ca 0.05 2.55 0.03 0.00 -0.22 0.00 0.00 54.13 56.54 1lb1 s LEU 114 Cb -0.22 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.83 1lb1 s LEU 114 CO -0.03 -0.57 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.66 1lb1 s VAL 115 N -0.25 0.64 -0.34 1.68 1.01 -0.11 -2.07 120.40 120.97 1lb1 s VAL 115 Ca 0.55 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1lb1 s VAL 115 Cb -0.39 -0.54 0.06 0.00 0.00 0.00 0.00 36.38 35.51 1lb1 s VAL 115 CO 0.43 0.14 0.09 -0.83 0.00 0.00 0.00 175.10 174.93 1lb1 s GLY 116 N -0.28 1.84 0.53 4.51 0.00 0.31 -1.28 107.32 112.94 1lb1 s GLY 116 Ca 0.02 -1.91 -0.06 0.00 0.00 0.00 0.00 44.72 42.78 1lb1 s GLY 116 CO -0.00 0.79 0.85 -1.31 0.00 0.00 0.00 173.10 173.43 1lb1 s ASN 117 N 1.45 6.10 -1.26 1.64 0.01 -0.26 -2.15 114.94 120.47 1lb1 s ASN 117 Ca -0.01 0.95 -0.02 0.00 -0.71 0.00 0.00 52.86 53.07 1lb1 s ASN 117 Cb -0.20 -2.15 0.00 0.00 0.41 0.00 0.00 41.25 39.31 1lb1 s ASN 117 CO 0.00 -0.74 0.94 0.29 -1.51 0.00 0.00 177.10 176.09 1lb1 n LYS 118 N -2.41 -6.29 0.16 -0.60 5.02 -1.00 -0.34 118.16 112.70 1lb1 n LYS 118 Ca 0.02 0.78 0.03 0.00 -2.02 0.00 0.00 58.31 57.12 1lb1 n LYS 118 Cb 0.56 -5.68 0.43 0.00 -0.02 0.00 0.00 35.03 30.31 1lb1 n LYS 118 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1lb1 h LYS 119 N -1.99 0.14 -0.04 1.97 2.10 -1.55 -2.41 116.57 114.80 1lb1 h LYS 119 Ca -0.59 -0.03 0.01 0.00 -2.00 0.00 0.00 60.65 58.04 1lb1 h LYS 119 Cb 1.35 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1lb1 h LYS 119 CO 0.53 0.31 0.08 0.38 -2.00 0.00 0.00 179.45 178.75 1lb1 h ASP 120 N 0.13 0.00 -0.09 7.07 2.03 -1.90 -0.81 116.42 122.85 1lb1 h ASP 120 Ca 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1lb1 h ASP 120 Cb 0.37 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.87 1lb1 h ASP 120 CO 0.02 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.41 1lb1 n LEU 121 N -3.42 0.88 0.02 0.15 4.32 -0.91 -3.77 117.00 114.28 1lb1 n LEU 121 Ca -0.02 -0.37 -0.17 0.00 -0.02 0.00 0.00 56.01 55.43 1lb1 n LEU 121 Cb 0.16 -0.06 -0.07 0.00 -1.62 0.00 0.00 43.42 41.84 1lb1 n LEU 121 CO 0.23 0.19 0.20 -0.09 -1.22 0.00 0.00 177.39 176.69 1lb1 h ARG 122 N 1.17 0.68 -0.02 3.23 2.43 -1.31 -3.20 114.38 117.36 1lb1 h ARG 122 Ca 0.00 -0.63 0.00 0.00 -0.81 0.00 0.00 59.98 58.54 1lb1 h ARG 122 Cb 0.26 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1lb1 h ARG 122 CO 0.00 1.24 -0.17 0.27 -1.51 0.00 0.00 179.97 179.79 1lb1 n ASN 123 N -3.87 1.83 -4.65 -3.80 0.23 -1.25 -4.87 115.26 98.87 1lb1 n ASN 123 Ca -0.08 -1.45 -0.43 0.00 -0.53 0.00 0.00 54.58 52.09 1lb1 n ASN 123 Cb 0.80 0.14 -0.02 0.00 -2.08 0.00 0.00 39.78 38.62 1lb1 n ASN 123 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1lb1 s ASP 124 N -2.24 6.72 0.24 0.53 2.15 -1.21 -4.91 116.67 117.95 1lb1 s ASP 124 Ca 0.28 1.87 -0.05 0.00 0.43 0.00 0.00 52.55 55.08 1lb1 s ASP 124 Cb 0.20 -2.54 0.26 0.00 -0.30 0.00 0.00 42.92 40.54 1lb1 s ASP 124 CO 0.43 -0.93 1.78 1.05 -0.17 0.00 0.00 175.17 177.33 1lb1 h GLU 125 N 9.22 1.02 -0.32 4.34 4.11 -1.90 -2.20 114.58 128.85 1lb1 h GLU 125 Ca -0.33 -0.21 0.06 0.00 0.07 0.00 0.00 59.36 58.95 1lb1 h GLU 125 Cb 1.14 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.18 1lb1 h GLU 125 CO 0.97 0.88 -0.06 1.25 0.07 0.00 0.00 179.01 182.12 1lb1 h HIS 126 N 0.98 -0.14 -0.05 2.06 2.76 -1.96 0.14 115.15 118.95 1lb1 h HIS 126 Ca 0.21 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.28 1lb1 h HIS 126 Cb 0.30 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 1lb1 h HIS 126 CO 0.02 -0.12 -0.56 1.79 -1.30 0.00 0.00 177.93 177.76 1lb1 h THR 127 N 0.02 1.38 -0.57 6.26 1.35 -1.85 -2.05 112.91 117.45 1lb1 h THR 127 Ca 0.15 -1.89 -0.04 0.00 -0.55 0.00 0.00 66.41 64.08 1lb1 h THR 127 Cb 0.23 1.97 -0.03 0.00 -1.73 0.00 0.00 68.15 68.59 1lb1 h THR 127 CO -0.31 0.55 0.17 0.03 -0.25 0.00 0.00 175.52 175.71 1lb1 h ARG 128 N 0.12 0.85 0.59 4.72 3.08 -0.66 -1.18 114.38 121.90 1lb1 h ARG 128 Ca -0.00 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1lb1 h ARG 128 Cb 1.02 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.94 1lb1 h ARG 128 CO 0.08 0.74 -0.29 -0.09 -1.07 0.00 0.00 179.97 179.34 1lb1 h ARG 129 N 0.83 -0.77 -0.91 0.04 2.43 -0.46 -2.34 114.38 113.20 1lb1 h ARG 129 Ca 0.19 0.05 0.17 0.00 -0.81 0.00 0.00 59.98 59.58 1lb1 h ARG 129 Cb 0.25 0.17 -0.10 0.00 -0.42 0.00 0.00 29.97 29.87 1lb1 h ARG 129 CO -0.01 -0.49 0.49 0.93 -1.51 0.00 0.00 179.97 179.39 1lb1 h GLU 130 N -1.17 0.63 -0.30 0.20 4.39 -1.32 -1.15 114.58 115.85 1lb1 h GLU 130 Ca -0.08 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 1lb1 h GLU 130 Cb 0.64 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1lb1 h GLU 130 CO 0.13 0.41 0.13 -0.07 -1.16 0.00 0.00 179.01 178.45 1lb1 h LEU 131 N 0.64 0.41 -0.70 1.33 3.38 -1.25 -2.97 115.31 116.16 1lb1 h LEU 131 Ca 0.51 -0.16 0.15 0.00 0.09 0.00 0.00 57.88 58.48 1lb1 h LEU 131 Cb 0.79 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.31 1lb1 h LEU 131 CO -0.39 0.45 0.03 0.00 0.09 0.00 0.00 178.44 178.63 1lb1 h ALA 132 N 0.97 0.74 -0.98 1.53 0.00 -0.56 0.25 119.26 121.22 1lb1 h ALA 132 Ca 0.10 0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.39 1lb1 h ALA 132 Cb 0.17 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.21 1lb1 h ALA 132 CO -0.01 -0.40 0.61 0.87 0.00 0.00 0.00 179.25 180.33 1lb1 h LYS 133 N 0.14 0.76 -0.11 0.00 1.57 -1.32 0.82 116.57 118.42 1lb1 h LYS 133 Ca 0.38 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1lb1 h LYS 133 Cb 0.64 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1lb1 h LYS 133 CO -0.58 0.50 0.00 -1.33 -0.57 0.00 0.00 179.45 177.47 1lb1 n MET 134 N -4.67 1.35 -3.16 3.15 2.81 0.73 -4.88 117.12 112.45 1lb1 n MET 134 Ca 0.21 -0.54 -0.15 0.00 -1.81 0.00 0.00 57.70 55.41 1lb1 n MET 134 Cb 0.52 -1.25 0.06 0.00 -0.71 0.00 0.00 33.22 31.83 1lb1 n MET 134 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1lb1 n LYS 135 N -0.17 -5.15 -4.16 0.03 4.76 0.28 -5.03 118.16 108.72 1lb1 n LYS 135 Ca 0.11 0.57 -0.10 0.00 -2.87 0.00 0.00 58.31 56.01 1lb1 n LYS 135 Cb 0.17 -4.80 -0.10 0.00 -1.84 0.00 0.00 35.03 28.46 1lb1 n LYS 135 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1lb1 s GLN 136 N -5.60 1.03 0.04 1.97 -0.21 -0.26 -4.97 119.66 111.66 1lb1 s GLN 136 Ca 0.28 -1.49 -0.06 0.00 0.02 0.00 0.00 55.36 54.11 1lb1 s GLN 136 Cb -0.12 0.26 -0.01 0.00 1.00 0.00 0.00 33.01 34.13 1lb1 s GLN 136 CO 0.50 -0.31 0.10 -1.83 -2.12 0.00 0.00 175.29 171.63 1lb1 s GLU 137 N -4.08 0.62 0.99 2.91 -1.05 -1.26 -1.97 118.70 114.86 1lb1 s GLU 137 Ca 0.29 -0.80 -0.17 0.00 -0.15 0.00 0.00 54.97 54.15 1lb1 s GLU 137 Cb 0.07 0.24 -0.07 0.00 -0.44 0.00 0.00 34.13 33.94 1lb1 s GLU 137 CO 0.05 -0.16 -0.38 -2.30 0.95 0.00 0.00 175.26 173.42 1lb1 n PRO 138 N 0.63 -0.23 -2.89 -4.83 -0.02 -1.26 -4.67 135.00 121.73 1lb1 n PRO 138 Ca -0.18 -0.05 -0.41 0.00 -2.02 0.00 0.00 63.50 60.84 1lb1 n PRO 138 Cb 0.59 -1.36 -0.04 0.00 -0.02 0.00 0.00 33.50 32.67 1lb1 n PRO 138 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1lb1 s VAL 139 N -2.16 4.97 0.03 -1.45 1.01 0.20 -4.97 120.40 118.03 1lb1 s VAL 139 Ca 0.47 1.73 -0.21 0.00 0.00 0.00 0.00 61.98 63.97 1lb1 s VAL 139 Cb -0.16 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 1lb1 s VAL 139 CO 0.74 0.21 0.61 -0.54 0.00 0.00 0.00 175.10 176.13 1lb1 s LYS 140 N 0.91 4.31 0.32 2.72 1.02 -1.26 -4.96 119.74 122.80 1lb1 s LYS 140 Ca 0.44 0.79 0.07 0.00 0.02 0.00 0.00 55.97 57.29 1lb1 s LYS 140 Cb -0.19 -3.31 0.90 0.00 -0.52 0.00 0.00 37.83 34.71 1lb1 s LYS 140 CO 0.23 0.45 1.58 -1.35 -0.92 0.00 0.00 175.35 175.33 1lb1 h PRO 141 N 5.25 0.02 -1.00 -1.68 0.11 -2.00 0.99 132.00 133.69 1lb1 h PRO 141 Ca -0.46 -0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.80 1lb1 h PRO 141 Cb 1.21 -0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.21 1lb1 h PRO 141 CO 0.68 0.01 0.61 0.93 -0.21 0.00 0.00 178.00 180.02 1lb1 h GLU 142 N 0.02 0.82 -0.39 1.05 5.08 -2.00 0.47 114.58 119.63 1lb1 h GLU 142 Ca 0.66 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.87 1lb1 h GLU 142 Cb 1.48 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1lb1 h GLU 142 CO -0.87 0.54 -0.18 0.93 -1.00 0.00 0.00 179.01 178.43 1lb1 h GLU 143 N 0.85 0.73 0.61 2.33 5.08 0.63 -2.53 114.58 122.28 1lb1 h GLU 143 Ca 0.54 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1lb1 h GLU 143 Cb 0.72 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.93 1lb1 h GLU 143 CO -0.34 0.86 -0.29 0.78 -1.00 0.00 0.00 179.01 179.02 1lb1 h GLY 144 N 0.98 -0.86 0.42 -3.84 0.00 -0.59 -1.96 103.07 97.22 1lb1 h GLY 144 Ca 0.10 0.32 0.13 0.00 0.00 0.00 0.00 47.33 47.88 1lb1 h GLY 144 CO 0.05 -0.31 0.62 3.21 0.00 0.00 0.00 176.54 180.10 1lb1 h ARG 145 N -1.01 0.92 0.20 4.80 3.08 -1.37 0.24 114.38 121.24 1lb1 h ARG 145 Ca -0.08 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1lb1 h ARG 145 Cb 0.68 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1lb1 h ARG 145 CO 0.14 0.61 -0.13 -0.44 -1.07 0.00 0.00 179.97 179.08 1lb1 h ASP 146 N 0.95 -0.31 -0.44 7.04 3.32 -1.37 -1.12 116.42 124.47 1lb1 h ASP 146 Ca 0.50 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.58 1lb1 h ASP 146 Cb 0.54 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 1lb1 h ASP 146 CO -0.28 -0.20 0.29 -0.03 -1.72 0.00 0.00 179.24 177.29 1lb1 h MET 147 N -0.31 0.57 -0.90 3.56 4.05 -0.52 0.33 114.93 121.70 1lb1 h MET 147 Ca -0.02 -0.03 0.16 0.00 -0.28 0.00 0.00 59.70 59.53 1lb1 h MET 147 Cb 0.27 -0.13 -0.10 0.00 -0.80 0.00 0.00 31.60 30.84 1lb1 h MET 147 CO 0.01 0.38 0.49 0.00 0.23 0.00 0.00 176.91 178.02 1lb1 h ALA 148 N 1.17 1.40 0.03 0.39 0.00 -0.23 0.35 119.26 122.37 1lb1 h ALA 148 Ca 0.17 0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.91 1lb1 h ALA 148 Cb -0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1lb1 h ALA 148 CO -0.04 -0.09 -1.27 -0.91 0.00 0.00 0.00 179.25 176.94 1lb1 h ASN 149 N 0.66 0.11 -0.69 0.00 4.21 -0.70 0.53 115.58 119.69 1lb1 h ASN 149 Ca 0.50 -0.14 0.01 0.00 1.21 0.00 0.00 56.30 57.89 1lb1 h ASN 149 Cb 0.74 -0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 37.87 1lb1 h ASN 149 CO -0.38 1.11 0.45 -0.09 -1.29 0.00 0.00 177.43 177.24 1lb1 h ARG 150 N 0.02 0.89 0.00 0.81 2.43 0.10 -2.03 114.38 116.60 1lb1 h ARG 150 Ca -0.12 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1lb1 h ARG 150 Cb 1.88 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 31.23 1lb1 h ARG 150 CO 0.13 0.59 -0.40 -0.84 -1.51 0.00 0.00 179.97 177.94 1lb1 h ILE 151 N 0.92 0.00 -0.10 1.20 3.07 -1.09 -3.48 117.51 118.03 1lb1 h ILE 151 Ca 0.26 -0.69 0.00 0.00 1.55 0.00 0.00 64.86 65.98 1lb1 h ILE 151 Cb -0.08 1.45 0.00 0.00 -0.27 0.00 0.00 36.82 37.92 1lb1 h ILE 151 CO -0.07 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.64 1lb1 n GLY 152 N 1.25 0.97 3.47 0.16 0.00 -0.76 -5.06 105.19 105.23 1lb1 n GLY 152 Ca 0.03 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 1lb1 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lb1 n ALA 153 N -1.09 -2.77 1.56 4.61 0.00 0.18 -4.84 120.51 118.16 1lb1 n ALA 153 Ca 0.00 -1.09 0.14 0.00 0.00 0.00 0.00 53.44 52.50 1lb1 n ALA 153 Cb 0.31 -1.95 0.59 0.00 0.00 0.00 0.00 19.45 18.40 1lb1 n ALA 153 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1lb1 n PHE 154 N -4.76 0.00 0.00 0.00 -0.00 0.32 -4.88 117.46 108.15 1lb1 n PHE 154 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 1lb1 n PHE 154 Cb 0.55 -0.01 0.00 0.00 -0.00 0.00 0.00 39.48 40.02 1lb1 n PHE 154 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1lb1 n GLY 155 N 1.16 3.88 3.86 7.13 0.00 -1.25 -5.00 105.19 114.97 1lb1 n GLY 155 Ca 0.19 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 1lb1 n GLY 155 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lb1 s TYR 156 N -2.00 3.29 -0.15 1.61 5.04 -1.26 -1.84 117.35 122.03 1lb1 s TYR 156 Ca 0.00 0.04 -0.29 0.00 -2.44 0.00 0.00 57.07 54.38 1lb1 s TYR 156 Cb 0.00 -1.58 0.10 0.00 0.35 0.00 0.00 41.96 40.83 1lb1 s TYR 156 CO 0.00 0.52 0.86 -1.64 -1.34 0.00 0.00 175.55 173.95 1lb1 s MET 157 N -3.13 0.77 0.20 4.97 -1.94 -0.88 -4.96 119.30 114.34 1lb1 s MET 157 Ca 0.32 0.35 0.09 0.00 -1.71 0.00 0.00 55.69 54.75 1lb1 s MET 157 Cb -0.11 0.37 -0.05 0.00 2.01 0.00 0.00 34.83 37.06 1lb1 s MET 157 CO 0.26 -0.21 -0.17 -1.21 -0.01 0.00 0.00 175.02 173.68 1lb1 s GLU 158 N -0.76 1.36 0.20 2.03 2.02 -1.26 -0.53 118.70 121.76 1lb1 s GLU 158 Ca -0.04 -1.54 -0.23 0.00 0.02 0.00 0.00 54.97 53.17 1lb1 s GLU 158 Cb -0.02 -1.31 0.05 0.00 0.10 0.00 0.00 34.13 32.95 1lb1 s GLU 158 CO 0.03 0.24 0.89 0.00 0.02 0.00 0.00 175.26 176.44 1lb1 s SER 160 N -2.96 1.40 0.31 0.00 0.15 0.39 -1.74 113.70 111.25 1lb1 s SER 160 Ca 0.12 -0.10 0.09 0.00 0.70 0.00 0.00 55.95 56.76 1lb1 s SER 160 Cb -0.03 -0.45 0.50 0.00 -1.71 0.00 0.00 66.02 64.33 1lb1 s SER 160 CO 0.04 -0.15 1.71 0.00 1.20 0.00 0.00 173.24 176.04 1lb1 h ALA 161 N 7.99 1.15 0.03 5.45 0.00 -1.93 0.35 119.26 132.29 1lb1 h ALA 161 Ca -0.26 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 1lb1 h ALA 161 Cb 1.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1lb1 h ALA 161 CO 0.33 0.59 -0.01 0.87 0.00 0.00 0.00 179.25 181.03 1lb1 h LYS 162 N 0.11 -0.04 -0.01 0.00 1.57 -1.97 -3.24 116.57 112.99 1lb1 h LYS 162 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1lb1 h LYS 162 Cb 0.84 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1lb1 h LYS 162 CO 0.06 0.32 -0.20 0.25 -0.57 0.00 0.00 179.45 179.31 1lb1 n THR 163 N -4.94 0.00 -0.85 -0.16 -2.24 -1.21 -4.76 114.28 100.13 1lb1 n THR 163 Ca -0.08 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1lb1 n THR 163 Cb 0.20 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 1lb1 n THR 163 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1lb1 n LYS 164 N -0.19 -1.20 -1.91 -0.78 5.02 0.12 -4.89 118.16 114.35 1lb1 n LYS 164 Ca 0.14 0.30 -0.43 0.00 -2.02 0.00 0.00 58.31 56.30 1lb1 n LYS 164 Cb 0.39 -4.64 -0.03 0.00 -0.02 0.00 0.00 35.03 30.73 1lb1 n LYS 164 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1lb1 s ASP 165 N -2.03 5.88 0.00 4.39 3.68 -1.05 -2.45 116.67 125.09 1lb1 s ASP 165 Ca 0.00 1.54 0.00 0.00 2.13 0.00 0.00 52.55 56.22 1lb1 s ASP 165 Cb 0.00 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 38.95 1lb1 s ASP 165 CO 0.00 -1.68 0.00 0.61 0.13 0.00 0.00 175.17 174.23 1lb1 n GLY 166 N 5.37 1.23 0.17 2.66 0.00 -1.26 -0.46 105.19 112.90 1lb1 n GLY 166 Ca 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.20 1lb1 n GLY 166 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1lb1 h VAL 167 N 0.00 0.00 -0.85 1.61 2.07 -1.76 -2.22 116.25 115.09 1lb1 h VAL 167 Ca 0.00 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.74 1lb1 h VAL 167 Cb 0.00 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.63 1lb1 h VAL 167 CO 0.00 0.00 0.13 -0.09 0.02 0.00 0.00 177.57 177.63 1lb1 h ARG 168 N -0.37 0.14 -0.91 1.57 9.65 -1.93 0.05 114.38 122.57 1lb1 h ARG 168 Ca -0.03 -0.01 0.11 0.00 -1.10 0.00 0.00 59.98 58.95 1lb1 h ARG 168 Cb 0.31 -0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.79 1lb1 h ARG 168 CO 0.01 0.09 0.59 0.93 2.80 0.00 0.00 179.97 184.39 1lb1 h GLU 169 N 0.15 0.84 0.11 0.20 3.07 -1.88 -1.10 114.58 115.97 1lb1 h GLU 169 Ca 0.51 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.32 1lb1 h GLU 169 Cb 1.00 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 1lb1 h GLU 169 CO -0.70 0.56 -0.05 0.28 -1.40 0.00 0.00 179.01 177.70 1lb1 h VAL 170 N 0.87 1.03 0.00 3.13 2.07 -0.36 -1.57 116.25 121.42 1lb1 h VAL 170 Ca 0.44 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1lb1 h VAL 170 Cb 0.48 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1lb1 h VAL 170 CO -0.20 0.13 -0.18 -0.26 0.02 0.00 0.00 177.57 177.08 1lb1 h PHE 171 N -0.39 0.00 -0.03 1.57 0.04 -1.44 -1.22 116.94 115.47 1lb1 h PHE 171 Ca -0.01 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.56 1lb1 h PHE 171 Cb 0.32 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.49 1lb1 h PHE 171 CO 0.01 0.18 -0.75 1.49 -0.60 0.00 0.00 178.31 178.64 1lb1 h GLU 172 N 0.00 0.57 -0.25 1.51 4.81 -1.15 -2.03 114.58 118.03 1lb1 h GLU 172 Ca -0.00 -0.57 -0.15 0.00 -0.13 0.00 0.00 59.36 58.51 1lb1 h GLU 172 Cb 0.78 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1lb1 h GLU 172 CO 0.02 1.19 -0.45 1.98 -0.73 0.00 0.00 179.01 181.02 1lb1 h MET 173 N 0.17 0.64 -0.10 1.92 4.05 -1.13 -2.73 114.93 117.74 1lb1 h MET 173 Ca -0.08 -0.35 -0.15 0.00 -0.28 0.00 0.00 59.70 58.84 1lb1 h MET 173 Cb 1.42 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.23 1lb1 h MET 173 CO 0.15 0.96 -0.57 0.00 0.23 0.00 0.00 176.91 177.68 1lb1 h ALA 174 N 0.98 0.83 -0.38 0.39 0.00 -1.27 -2.26 119.26 117.57 1lb1 h ALA 174 Ca 0.03 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 1lb1 h ALA 174 Cb 0.99 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1lb1 h ALA 174 CO 0.09 0.70 -0.16 1.15 0.00 0.00 0.00 179.25 181.04 1lb1 h THR 175 N 0.25 1.26 -0.08 0.00 2.02 -1.29 -1.87 112.91 113.20 1lb1 h THR 175 Ca -0.00 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 1lb1 h THR 175 Cb 1.07 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1lb1 h THR 175 CO 0.09 0.40 0.00 -0.09 0.37 0.00 0.00 175.52 176.30 1lb1 h ARG 176 N 0.63 0.13 -0.02 6.66 2.43 -1.32 -2.27 114.38 120.62 1lb1 h ARG 176 Ca 0.10 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1lb1 h ARG 176 Cb 0.62 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1lb1 h ARG 176 CO 0.04 0.40 0.02 0.00 -1.51 0.00 0.00 179.97 178.92 1lb1 h ALA 177 N 0.73 1.82 -0.04 2.80 0.00 -1.24 -1.47 119.26 121.85 1lb1 h ALA 177 Ca 0.02 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 1lb1 h ALA 177 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1lb1 h ALA 177 CO 0.00 -0.03 -0.79 0.00 0.00 0.00 0.00 179.25 178.43 1lb1 h ALA 178 N 1.98 0.55 0.00 0.00 0.00 -1.04 -3.11 119.26 117.64 1lb1 h ALA 178 Ca 0.01 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1lb1 h ALA 178 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1lb1 h ALA 178 CO -0.00 0.80 0.00 1.28 0.00 0.00 0.00 179.25 181.33 1lb1 n LEU 179 N -3.78 0.57 -0.04 0.00 4.77 -0.57 -4.96 117.00 112.99 1lb1 n LEU 179 Ca -0.04 0.62 0.16 0.00 -0.03 0.00 0.00 56.01 56.71 1lb1 n LEU 179 Cb 0.75 -0.52 0.92 0.00 -2.33 0.00 0.00 43.42 42.24 1lb1 n LEU 179 CO 0.48 -0.43 1.09 1.67 -1.33 0.00 0.00 177.39 178.88