#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w39 n ASP 11 N 0.00 0.00 0.00 1.69 8.00 -1.26 -5.11 116.55 119.86 1w39 n ASP 11 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1w39 n ASP 11 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1w39 n ASP 11 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1w39 n ARG 12 N 0.00 0.00 -2.41 -1.24 1.85 -1.26 -5.13 116.66 108.47 1w39 n ARG 12 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1w39 n ARG 12 Cb 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1w39 n ARG 12 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1w39 n THR 13 N 0.00 -2.40 0.00 8.89 5.66 -1.26 -5.00 114.28 120.17 1w39 n THR 13 Ca 0.00 0.48 0.00 0.00 -3.05 0.00 0.00 64.05 61.48 1w39 n THR 13 Cb 0.00 -2.56 0.00 0.00 -1.55 0.00 0.00 70.33 66.22 1w39 n THR 13 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1w39 n VAL 14 N 2.14 0.00 -2.94 1.08 3.14 -1.26 -5.00 118.33 115.49 1w39 n VAL 14 Ca -0.03 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.34 1w39 n VAL 14 Cb 0.04 -0.08 -0.01 0.00 -1.06 0.00 0.00 33.84 32.73 1w39 n VAL 14 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1w39 n THR 15 N -0.41 -5.67 0.00 1.55 -2.24 -1.26 -5.03 114.28 101.22 1w39 n THR 15 Ca 0.00 1.06 0.00 0.00 -2.27 0.00 0.00 64.05 62.84 1w39 n THR 15 Cb 0.00 -4.20 0.00 0.00 -2.10 0.00 0.00 70.33 64.03 1w39 n THR 15 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1w39 n SER 27 N 1.84 0.00 -4.73 3.42 2.88 -1.26 -4.92 113.62 110.86 1w39 n SER 27 Ca -0.11 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.01 1w39 n SER 27 Cb 0.28 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.71 1w39 n SER 27 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1w39 s PRO 28 N 0.00 4.15 0.12 -1.46 0.02 -1.26 -4.89 135.00 131.68 1w39 s PRO 28 Ca 0.00 2.54 -0.31 0.00 0.02 0.00 0.00 61.00 63.25 1w39 s PRO 28 Cb 0.00 -3.08 -0.10 0.00 0.02 0.00 0.00 34.50 31.34 1w39 s PRO 28 CO 0.00 -0.69 1.75 -0.51 -0.33 0.00 0.00 177.00 177.22 1w39 s LEU 29 N 0.83 4.38 0.32 -5.54 1.02 -1.26 -4.98 118.68 113.45 1w39 s LEU 29 Ca 0.71 2.68 0.10 0.00 0.02 0.00 0.00 54.13 57.65 1w39 s LEU 29 Cb -0.48 -3.57 -0.06 0.00 0.02 0.00 0.00 46.19 42.10 1w39 s LEU 29 CO 0.35 -0.95 -0.13 0.42 0.02 0.00 0.00 176.35 176.05 1w39 s THR 30 N 2.42 2.30 0.39 5.49 -4.23 -1.26 -4.32 115.64 116.43 1w39 s THR 30 Ca 0.77 -2.27 0.04 0.00 -1.18 0.00 0.00 61.69 59.05 1w39 s THR 30 Cb -0.44 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 70.85 1w39 s THR 30 CO 0.34 -0.28 0.15 0.27 -0.54 0.00 0.00 174.62 174.56 1w39 s ILE 31 N -2.59 0.52 -0.08 2.99 -5.25 -0.44 -4.96 121.20 111.39 1w39 s ILE 31 Ca 0.31 -2.00 -0.02 0.00 -0.99 0.00 0.00 60.65 57.96 1w39 s ILE 31 Cb -0.00 -2.39 0.03 0.00 2.95 0.00 0.00 42.46 43.05 1w39 s ILE 31 CO 0.16 0.00 0.03 -0.54 -1.79 0.00 0.00 174.94 172.79 1w39 s LYS 32 N -3.70 0.39 -0.21 0.37 1.02 -1.25 -2.10 119.74 114.26 1w39 s LYS 32 Ca 0.27 0.12 -0.01 0.00 0.02 0.00 0.00 55.97 56.37 1w39 s LYS 32 Cb 0.03 -1.01 0.01 0.00 -0.52 0.00 0.00 37.83 36.34 1w39 s LYS 32 CO 0.16 -0.36 -0.11 -0.65 -0.92 0.00 0.00 175.35 173.47 1w39 s GLN 33 N 2.03 3.10 0.61 1.68 -1.52 0.03 -4.90 119.66 120.69 1w39 s GLN 33 Ca 0.04 -0.78 -0.10 0.00 -1.95 0.00 0.00 55.36 52.57 1w39 s GLN 33 Cb -0.13 -2.82 -0.03 0.00 -0.22 0.00 0.00 33.01 29.81 1w39 s GLN 33 CO -0.05 -0.24 1.00 -1.25 -0.25 0.00 0.00 175.29 174.50 1w39 s PRO 34 N 1.37 3.46 0.03 2.91 0.04 -1.26 0.47 135.00 142.01 1w39 s PRO 34 Ca 0.04 0.61 -0.28 0.00 0.04 0.00 0.00 61.00 61.41 1w39 s PRO 34 Cb -0.14 -2.12 0.09 0.00 0.04 0.00 0.00 34.50 32.38 1w39 s PRO 34 CO -0.08 -0.60 0.85 -0.59 0.04 0.00 0.00 177.00 176.63 1w39 s PHE 35 N -3.14 -0.36 -0.17 0.56 -0.12 0.26 -4.89 117.98 110.11 1w39 s PHE 35 Ca 0.54 0.20 -0.11 0.00 -0.05 0.00 0.00 56.93 57.52 1w39 s PHE 35 Cb -0.11 0.55 0.06 0.00 -0.63 0.00 0.00 43.02 42.89 1w39 s PHE 35 CO 0.52 -0.61 0.42 -1.14 -0.05 0.00 0.00 175.22 174.36 1w39 s GLN 36 N -3.23 0.42 -0.00 1.99 0.74 -1.26 -0.21 119.66 118.12 1w39 s GLN 36 Ca 0.05 0.77 0.00 0.00 0.05 0.00 0.00 55.36 56.23 1w39 s GLN 36 Cb -0.01 0.03 0.00 0.00 1.10 0.00 0.00 33.01 34.13 1w39 s GLN 36 CO -0.09 -0.14 -0.01 -1.54 -0.55 0.00 0.00 175.29 172.96 1w39 s SER 37 N 1.19 0.13 -0.20 6.67 1.04 0.98 -4.92 113.70 118.59 1w39 s SER 37 Ca -0.08 -0.02 -0.29 0.00 0.48 0.00 0.00 55.95 56.04 1w39 s SER 37 Cb -0.07 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.00 1w39 s SER 37 CO -0.10 0.01 1.54 -1.61 0.98 0.00 0.00 173.24 174.05 1w39 s GLU 38 N 0.01 3.93 -0.15 4.02 2.02 -1.26 -0.09 118.70 127.17 1w39 s GLU 38 Ca 0.00 1.70 0.10 0.00 0.02 0.00 0.00 54.97 56.79 1w39 s GLU 38 Cb -0.01 -3.97 -0.23 0.00 0.10 0.00 0.00 34.13 30.02 1w39 s GLU 38 CO -0.00 -1.13 0.23 0.28 0.02 0.00 0.00 175.26 174.67 1w39 n VAL 39 N 6.10 1.53 -3.65 2.63 0.31 0.73 -4.93 118.33 121.04 1w39 n VAL 39 Ca 0.17 -0.76 -0.13 0.00 -0.01 0.00 0.00 64.34 63.62 1w39 n VAL 39 Cb 0.45 -1.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.30 1w39 n VAL 39 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1w39 s LEU 40 N -6.09 -0.52 -0.27 7.52 2.96 -0.33 -5.01 118.68 116.93 1w39 s LEU 40 Ca -0.15 1.32 -0.03 0.00 -0.22 0.00 0.00 54.13 55.04 1w39 s LEU 40 Cb 0.07 2.21 0.02 0.00 0.50 0.00 0.00 46.19 49.00 1w39 s LEU 40 CO 0.78 -0.23 -0.00 -0.36 -1.32 0.00 0.00 176.35 175.22 1w39 s PHE 41 N 0.55 3.12 0.27 5.38 0.08 -1.26 0.16 117.98 126.28 1w39 s PHE 41 Ca -0.02 -1.41 0.02 0.00 0.12 0.00 0.00 56.93 55.64 1w39 s PHE 41 Cb -0.05 -2.13 -0.01 0.00 -0.57 0.00 0.00 43.02 40.26 1w39 s PHE 41 CO -0.02 -0.69 0.31 0.00 -0.10 0.00 0.00 175.22 174.72 1w39 n ALA 42 N 4.73 0.10 0.00 5.36 0.00 -1.02 -4.91 120.51 124.77 1w39 n ALA 42 Ca -0.15 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 51.91 1w39 n ALA 42 Cb 0.47 1.11 0.00 0.00 0.00 0.00 0.00 19.45 21.03 1w39 n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w39 n GLY 43 N -0.47 1.37 0.34 0.00 0.00 -1.26 -0.73 105.19 104.45 1w39 n GLY 43 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.15 1w39 n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1w39 n THR 44 N 0.00 0.00 -3.61 2.61 -2.24 -1.26 -4.22 114.28 105.56 1w39 n THR 44 Ca 0.00 -0.21 -0.02 0.00 -2.27 0.00 0.00 64.05 61.55 1w39 n THR 44 Cb 0.00 1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 69.35 1w39 n THR 44 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1w39 s LYS 45 N -2.49 0.39 0.18 -0.78 -2.85 -1.26 -4.73 119.74 108.20 1w39 s LYS 45 Ca 0.15 0.72 -0.32 0.00 -1.00 0.00 0.00 55.97 55.52 1w39 s LYS 45 Cb 0.16 0.15 -0.16 0.00 -2.06 0.00 0.00 37.83 35.93 1w39 s LYS 45 CO 0.61 -0.09 0.99 -0.25 0.10 0.00 0.00 175.35 176.71 1w39 n ASP 46 N 3.98 0.65 -3.60 0.03 9.92 -1.26 -4.47 116.55 121.79 1w39 n ASP 46 Ca -0.17 1.15 -0.11 0.00 -0.53 0.00 0.00 54.79 55.13 1w39 n ASP 46 Cb 0.57 -1.14 -0.06 0.00 -0.64 0.00 0.00 41.12 39.85 1w39 n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1w39 s ALA 47 N -0.48 -1.92 0.12 2.24 0.00 0.86 -4.91 121.76 117.66 1w39 s ALA 47 Ca 0.71 1.71 0.04 0.00 0.00 0.00 0.00 51.96 54.42 1w39 s ALA 47 Cb -0.89 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 1w39 s ALA 47 CO 0.55 -0.28 0.11 -1.21 0.00 0.00 0.00 175.76 174.92 1w39 s GLU 48 N -0.44 2.88 -0.09 0.00 2.02 -1.26 -0.13 118.70 121.67 1w39 s GLU 48 Ca -0.00 -0.79 -0.04 0.00 0.02 0.00 0.00 54.97 54.15 1w39 s GLU 48 Cb -0.03 -2.68 0.05 0.00 0.10 0.00 0.00 34.13 31.57 1w39 s GLU 48 CO -0.01 0.52 0.21 0.00 0.02 0.00 0.00 175.26 176.00 1w39 s ALA 49 N -1.57 -0.42 -0.53 5.21 0.00 -0.48 -4.97 121.76 118.99 1w39 s ALA 49 Ca 0.30 0.85 0.05 0.00 0.00 0.00 0.00 51.96 53.15 1w39 s ALA 49 Cb -0.11 -0.65 0.18 0.00 0.00 0.00 0.00 23.12 22.54 1w39 s ALA 49 CO 0.23 -0.29 0.43 0.45 0.00 0.00 0.00 175.76 176.58 1w39 n SER 50 N 4.50 1.03 -4.82 0.00 2.88 -1.26 0.10 113.62 116.05 1w39 n SER 50 Ca -0.21 -2.75 -0.33 0.00 -1.33 0.00 0.00 58.87 54.25 1w39 n SER 50 Cb 0.52 -0.64 -0.06 0.00 -0.75 0.00 0.00 64.21 63.28 1w39 n SER 50 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1w39 s LEU 51 N -0.71 4.06 -0.62 2.46 0.05 -0.42 -4.90 118.68 118.60 1w39 s LEU 51 Ca 0.31 0.20 -0.15 0.00 0.05 0.00 0.00 54.13 54.54 1w39 s LEU 51 Cb 0.03 -2.41 0.15 0.00 -2.05 0.00 0.00 46.19 41.91 1w39 s LEU 51 CO -0.17 0.26 0.56 0.28 -0.55 0.00 0.00 176.35 176.73 1w39 s THR 52 N -1.26 5.26 0.22 5.48 -1.32 -1.26 0.23 115.64 122.99 1w39 s THR 52 Ca 0.25 -1.79 0.01 0.00 -1.21 0.00 0.00 61.69 58.94 1w39 s THR 52 Cb -0.12 -4.34 0.01 0.00 -1.51 0.00 0.00 72.50 66.54 1w39 s THR 52 CO 0.16 -0.91 0.73 2.30 -2.21 0.00 0.00 174.62 174.69 1w39 n ILE 53 N 4.87 0.06 0.30 5.08 -6.64 -1.12 0.94 119.36 122.85 1w39 n ILE 53 Ca -0.06 0.69 0.18 0.00 -1.77 0.00 0.00 62.75 61.79 1w39 n ILE 53 Cb 0.42 -1.69 0.84 0.00 -1.44 0.00 0.00 39.64 37.77 1w39 n ILE 53 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1w39 h ALA 54 N 0.10 1.00 0.00 -1.28 0.00 -1.91 -3.15 119.26 114.01 1w39 h ALA 54 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1w39 h ALA 54 Cb 1.31 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1w39 h ALA 54 CO 0.00 0.00 -0.11 0.09 0.00 0.00 0.00 179.25 179.23 1w39 n ASN 55 N -2.86 1.97 -4.75 0.00 5.03 0.27 -4.71 115.26 110.21 1w39 n ASN 55 Ca -0.01 -2.99 -0.40 0.00 0.87 0.00 0.00 54.58 52.06 1w39 n ASN 55 Cb 0.18 -0.40 -0.06 0.00 -1.02 0.00 0.00 39.78 38.48 1w39 n ASN 55 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1w39 s ILE 56 N -2.48 4.15 0.00 2.41 -4.36 -1.19 -4.71 121.20 115.01 1w39 s ILE 56 Ca 0.28 2.06 0.00 0.00 -0.26 0.00 0.00 60.65 62.73 1w39 s ILE 56 Cb 0.25 -4.32 0.00 0.00 1.25 0.00 0.00 42.46 39.64 1w39 s ILE 56 CO 0.02 0.48 0.00 -0.90 0.24 0.00 0.00 174.94 174.77 1w39 n ASP 57 N 1.67 0.00 -0.04 4.36 5.75 -1.26 -0.54 116.55 126.49 1w39 n ASP 57 Ca -0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.74 1w39 n ASP 57 Cb 0.47 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.55 1w39 n ASP 57 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1w39 h SER 58 N 0.00 -0.34 -0.68 -1.12 4.64 -1.93 0.28 113.55 114.40 1w39 h SER 58 Ca 0.00 0.05 0.12 0.00 -0.47 0.00 0.00 61.79 61.49 1w39 h SER 58 Cb 0.00 0.14 -0.13 0.00 -0.31 0.00 0.00 62.40 62.11 1w39 h SER 58 CO 0.00 -0.06 -0.31 0.58 -0.87 0.00 0.00 176.83 176.17 1w39 h VAL 59 N -0.04 0.16 -0.26 0.95 2.07 -1.23 0.31 116.25 118.21 1w39 h VAL 59 Ca 0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1w39 h VAL 59 Cb 0.09 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 29.96 1w39 h VAL 59 CO -0.12 0.00 -0.45 -1.28 0.02 0.00 0.00 177.57 175.73 1w39 h SER 60 N -0.11 -1.49 -0.32 0.57 0.87 0.81 0.56 113.55 114.44 1w39 h SER 60 Ca 0.27 0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 61.00 1w39 h SER 60 Cb 0.56 0.60 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 1w39 h SER 60 CO -0.74 -0.35 0.14 0.71 -0.53 0.00 0.00 176.83 176.05 1w39 h THR 61 N -0.38 1.15 0.03 2.23 1.35 0.56 -2.48 112.91 115.37 1w39 h THR 61 Ca 0.05 -0.49 -0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1w39 h THR 61 Cb 0.51 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1w39 h THR 61 CO -0.44 0.18 -0.01 -0.07 -0.25 0.00 0.00 175.52 174.93 1w39 h LEU 62 N 0.53 -0.03 -0.09 3.87 3.38 0.49 -3.09 115.31 120.37 1w39 h LEU 62 Ca 0.13 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1w39 h LEU 62 Cb 0.13 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1w39 h LEU 62 CO -0.01 0.43 0.00 0.35 0.09 0.00 0.00 178.44 179.30 1w39 n THR 63 N -4.89 0.86 -0.45 0.22 -2.24 0.10 -3.91 114.28 103.97 1w39 n THR 63 Ca -0.08 0.21 0.37 0.00 -2.27 0.00 0.00 64.05 62.27 1w39 n THR 63 Cb 0.24 -0.96 0.66 0.00 -2.10 0.00 0.00 70.33 68.17 1w39 n THR 63 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1w39 h THR 64 N 0.00 0.17 -0.43 4.28 2.02 -1.36 -0.96 112.91 116.63 1w39 h THR 64 Ca 0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1w39 h THR 64 Cb 0.30 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1w39 h THR 64 CO 0.00 0.02 0.01 0.49 0.37 0.00 0.00 175.52 176.41 1w39 n PHE 65 N -4.59 1.55 -4.31 3.16 3.72 -1.25 -4.84 117.46 110.89 1w39 n PHE 65 Ca 0.36 -0.83 -0.16 0.00 -0.05 0.00 0.00 57.45 56.77 1w39 n PHE 65 Cb 1.42 -0.43 -0.10 0.00 -0.94 0.00 0.00 39.48 39.43 1w39 n PHE 65 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1w39 s TYR 66 N -2.82 1.50 -0.31 1.38 2.02 -0.37 -1.45 117.35 117.31 1w39 s TYR 66 Ca 0.49 -1.04 0.11 0.00 -0.37 0.00 0.00 57.07 56.26 1w39 s TYR 66 Cb 0.38 -0.88 -0.14 0.00 -0.40 0.00 0.00 41.96 40.93 1w39 s TYR 66 CO 0.12 -0.18 0.37 0.54 -1.57 0.00 0.00 175.55 174.83 1w39 n ARG 67 N -0.41 2.30 -4.27 -0.62 1.74 0.14 -4.49 116.66 111.06 1w39 n ARG 67 Ca -0.03 -0.04 -0.23 0.00 -0.77 0.00 0.00 57.85 56.77 1w39 n ARG 67 Cb 0.65 -1.10 -0.17 0.00 -1.02 0.00 0.00 32.46 30.82 1w39 n ARG 67 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1w39 s HIS 68 N -2.28 1.17 -0.10 -1.55 3.76 -1.15 -3.37 115.29 111.77 1w39 s HIS 68 Ca 0.01 -0.44 -0.05 0.00 -0.15 0.00 0.00 55.06 54.44 1w39 s HIS 68 Cb 0.08 -0.94 0.05 0.00 1.11 0.00 0.00 32.58 32.87 1w39 s HIS 68 CO 0.44 -0.29 0.22 0.00 -0.85 0.00 0.00 174.74 174.26 1w39 s ALA 69 N 1.02 -0.47 0.09 -1.40 0.00 0.39 -2.32 121.76 119.07 1w39 s ALA 69 Ca -0.09 0.90 0.05 0.00 0.00 0.00 0.00 51.96 52.83 1w39 s ALA 69 Cb -0.14 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 1w39 s ALA 69 CO -0.00 -0.23 -0.14 0.45 0.00 0.00 0.00 175.76 175.83 1w39 s SER 70 N 1.36 1.82 -0.11 0.00 0.15 -0.19 0.16 113.70 116.89 1w39 s SER 70 Ca -0.08 -0.71 -0.25 0.00 0.70 0.00 0.00 55.95 55.61 1w39 s SER 70 Cb -0.11 -0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.12 1w39 s SER 70 CO -0.08 -0.12 0.79 -0.76 1.20 0.00 0.00 173.24 174.27 1w39 s LEU 71 N -2.10 4.25 -0.16 3.45 1.43 0.24 0.22 118.68 126.02 1w39 s LEU 71 Ca 0.03 1.21 -0.18 0.00 -1.03 0.00 0.00 54.13 54.16 1w39 s LEU 71 Cb -0.07 -3.19 -0.23 0.00 0.03 0.00 0.00 46.19 42.72 1w39 s LEU 71 CO 0.02 -0.27 0.40 -0.33 0.23 0.00 0.00 176.35 176.40 1w39 h GLU 72 N 7.07 0.11 -4.17 1.70 4.39 -0.69 -3.47 114.58 119.53 1w39 h GLU 72 Ca -0.35 -0.20 -0.18 0.00 0.34 0.00 0.00 59.36 58.97 1w39 h GLU 72 Cb 1.17 0.07 -0.19 0.00 -0.10 0.00 0.00 28.75 29.69 1w39 h GLU 72 CO 0.79 1.09 -0.70 -1.54 -1.16 0.00 0.00 179.01 177.49 1w39 s SER 73 N -6.87 0.45 -0.28 1.42 1.04 -1.22 -4.93 113.70 103.30 1w39 s SER 73 Ca -0.24 -0.64 -0.20 0.00 0.48 0.00 0.00 55.95 55.35 1w39 s SER 73 Cb 0.05 0.11 0.08 0.00 0.10 0.00 0.00 66.02 66.36 1w39 s SER 73 CO 0.68 -0.36 0.73 -0.22 0.98 0.00 0.00 173.24 175.05 1w39 s LEU 74 N -1.87 -0.84 -0.10 2.42 2.96 -1.26 -1.78 118.68 118.20 1w39 s LEU 74 Ca -0.09 1.44 -0.30 0.00 -0.22 0.00 0.00 54.13 54.96 1w39 s LEU 74 Cb -0.05 2.37 0.11 0.00 0.50 0.00 0.00 46.19 49.12 1w39 s LEU 74 CO -0.03 -0.24 0.94 -1.66 -1.32 0.00 0.00 176.35 174.04 1w39 s TRP 75 N 1.09 -0.39 0.08 5.38 -2.14 -0.42 -0.78 118.94 121.77 1w39 s TRP 75 Ca -0.06 0.55 0.01 0.00 2.66 0.00 0.00 56.10 59.27 1w39 s TRP 75 Cb -0.05 0.47 -0.04 0.00 -3.10 0.00 0.00 33.47 30.75 1w39 s TRP 75 CO -0.11 -0.42 0.17 0.54 -2.66 0.00 0.00 176.95 174.47 1w39 s VAL 76 N -1.72 5.07 -0.01 -0.66 0.11 -0.61 -1.81 120.40 120.77 1w39 s VAL 76 Ca -0.01 -0.57 -0.05 0.00 -2.93 0.00 0.00 61.98 58.42 1w39 s VAL 76 Cb -0.01 -3.48 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 1w39 s VAL 76 CO -0.01 0.10 0.10 0.28 -3.33 0.00 0.00 175.10 172.24 1w39 s THR 77 N -1.51 0.07 -0.21 5.04 -1.32 -0.44 0.67 115.64 117.94 1w39 s THR 77 Ca 0.33 -0.54 0.01 0.00 -1.21 0.00 0.00 61.69 60.28 1w39 s THR 77 Cb -0.12 -0.33 0.04 0.00 -1.51 0.00 0.00 72.50 70.58 1w39 s THR 77 CO 0.26 -0.30 -0.12 0.27 -2.21 0.00 0.00 174.62 172.52 1w39 s ILE 78 N -1.00 1.77 -0.66 5.08 -4.36 -0.38 -0.62 121.20 121.04 1w39 s ILE 78 Ca -0.11 -1.10 -0.21 0.00 -0.26 0.00 0.00 60.65 58.97 1w39 s ILE 78 Cb -0.06 -1.82 0.09 0.00 1.25 0.00 0.00 42.46 41.91 1w39 s ILE 78 CO 0.01 0.18 0.89 -1.00 0.24 0.00 0.00 174.94 175.27 1w39 s HIS 79 N 1.34 2.80 0.55 1.37 3.76 0.18 -1.76 115.29 123.53 1w39 s HIS 79 Ca -0.02 -0.74 -0.22 0.00 -0.15 0.00 0.00 55.06 53.94 1w39 s HIS 79 Cb -0.16 -4.21 -0.05 0.00 1.11 0.00 0.00 32.58 29.27 1w39 s HIS 79 CO -0.08 -1.53 1.33 -0.35 -0.85 0.00 0.00 174.74 173.25 1w39 n PRO 80 N 7.20 1.63 -2.87 8.40 -0.04 -1.26 -2.16 135.00 145.90 1w39 n PRO 80 Ca -0.04 0.60 -0.10 0.00 -0.04 0.00 0.00 63.50 63.93 1w39 n PRO 80 Cb 0.45 -2.54 -0.02 0.00 -0.04 0.00 0.00 33.50 31.34 1w39 n PRO 80 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1w39 n THR 81 N -1.08 0.00 -0.31 0.52 -2.24 0.10 -4.92 114.28 106.36 1w39 n THR 81 Ca 0.11 -0.84 0.16 0.00 -2.27 0.00 0.00 64.05 61.21 1w39 n THR 81 Cb 0.45 0.27 0.33 0.00 -2.10 0.00 0.00 70.33 69.27 1w39 n THR 81 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1w39 h LEU 82 N 0.00 -0.07 -0.67 3.22 5.85 -1.87 0.13 115.31 121.91 1w39 h LEU 82 Ca -0.12 0.22 -0.14 0.00 0.84 0.00 0.00 57.88 58.68 1w39 h LEU 82 Cb 0.43 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1w39 h LEU 82 CO 0.19 -0.24 -0.62 1.56 -0.34 0.00 0.00 178.44 178.99 1w39 h GLN 83 N 0.14 0.16 -0.86 1.25 1.08 -1.85 -3.31 115.11 111.73 1w39 h GLN 83 Ca 0.60 -0.12 0.14 0.00 -1.45 0.00 0.00 58.65 57.82 1w39 h GLN 83 Cb 1.28 0.02 -0.14 0.00 -0.05 0.00 0.00 27.48 28.59 1w39 h GLN 83 CO -0.73 0.73 -0.33 0.00 -0.95 0.00 0.00 178.83 177.56 1w39 n ALA 84 N -2.46 -0.08 -0.13 3.87 0.00 0.46 0.31 120.51 122.49 1w39 n ALA 84 Ca -0.02 0.86 0.01 0.00 0.00 0.00 0.00 53.44 54.29 1w39 n ALA 84 Cb 0.63 -0.40 0.28 0.00 0.00 0.00 0.00 19.45 19.96 1w39 n ALA 84 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1w39 h PRO 85 N 0.00 0.81 -0.01 0.00 0.11 -1.69 -2.54 132.00 128.69 1w39 h PRO 85 Ca 0.31 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1w39 h PRO 85 Cb 0.52 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1w39 h PRO 85 CO -0.86 0.59 -0.12 -2.37 -0.21 0.00 0.00 178.00 175.04 1w39 n THR 86 N -4.40 0.00 -3.10 -1.15 5.66 0.15 -3.25 114.28 108.19 1w39 n THR 86 Ca 0.06 -0.12 -0.15 0.00 -3.05 0.00 0.00 64.05 60.78 1w39 n THR 86 Cb 0.09 0.18 -0.05 0.00 -1.55 0.00 0.00 70.33 69.00 1w39 n THR 86 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1w39 s PHE 87 N -2.33 -0.31 0.43 1.09 0.08 0.01 -5.06 117.98 111.89 1w39 s PHE 87 Ca 0.31 -1.35 -0.22 0.00 0.12 0.00 0.00 56.93 55.79 1w39 s PHE 87 Cb 0.20 -0.29 -0.13 0.00 -0.57 0.00 0.00 43.02 42.24 1w39 s PHE 87 CO 0.45 -1.05 0.49 -2.30 -0.10 0.00 0.00 175.22 172.71 1w39 n PRO 88 N 3.04 0.51 -3.68 0.24 -0.02 -1.17 -4.65 135.00 129.27 1w39 n PRO 88 Ca 0.23 0.19 -0.12 0.00 -2.02 0.00 0.00 63.50 61.77 1w39 n PRO 88 Cb 0.51 -1.47 -0.13 0.00 -0.02 0.00 0.00 33.50 32.40 1w39 n PRO 88 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1w39 s THR 89 N -1.52 -0.31 0.09 3.45 2.01 -0.82 -4.15 115.64 114.39 1w39 s THR 89 Ca 0.63 0.22 -0.30 0.00 0.31 0.00 0.00 61.69 62.55 1w39 s THR 89 Cb -0.59 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 1w39 s THR 89 CO 0.58 0.09 1.04 -0.89 -0.69 0.00 0.00 174.62 174.75 1w39 s THR 90 N 2.04 4.37 -0.06 -0.82 2.01 -1.22 -2.35 115.64 119.61 1w39 s THR 90 Ca -0.03 1.86 -0.03 0.00 0.31 0.00 0.00 61.69 63.80 1w39 s THR 90 Cb -0.11 -4.19 0.03 0.00 0.01 0.00 0.00 72.50 68.23 1w39 s THR 90 CO -0.09 0.24 0.13 0.54 -0.69 0.00 0.00 174.62 174.74 1w39 s VAL 91 N 0.37 -0.03 0.06 3.82 0.11 -0.97 -1.49 120.40 122.27 1w39 s VAL 91 Ca 0.51 0.11 0.08 0.00 -2.93 0.00 0.00 61.98 59.74 1w39 s VAL 91 Cb -0.25 -0.21 -0.03 0.00 -1.53 0.00 0.00 36.38 34.36 1w39 s VAL 91 CO 0.30 0.04 -0.22 -0.83 -3.33 0.00 0.00 175.10 171.07 1w39 s GLY 92 N 0.72 1.21 0.15 6.54 0.00 -0.57 0.55 107.32 115.92 1w39 s GLY 92 Ca -0.05 -1.15 0.04 0.00 0.00 0.00 0.00 44.72 43.55 1w39 s GLY 92 CO -0.03 -1.10 -0.07 -1.34 0.00 0.00 0.00 173.10 170.56 1w39 s VAL 93 N -0.91 1.01 -0.30 1.40 -7.23 -0.35 -0.32 120.40 113.70 1w39 s VAL 93 Ca 0.08 -2.03 -0.14 0.00 -1.81 0.00 0.00 61.98 58.08 1w39 s VAL 93 Cb -0.09 -1.92 0.17 0.00 0.56 0.00 0.00 36.38 35.10 1w39 s VAL 93 CO 0.03 -0.68 1.00 0.00 -0.31 0.00 0.00 175.10 175.14 1w39 s TRP 95 N 2.57 3.77 -0.06 0.00 0.52 -1.26 -2.01 118.94 122.47 1w39 s TRP 95 Ca -0.01 1.48 -0.18 0.00 0.02 0.00 0.00 56.10 57.41 1w39 s TRP 95 Cb -0.07 -2.79 0.04 0.00 -1.15 0.00 0.00 33.47 29.50 1w39 s TRP 95 CO -0.16 0.33 0.41 0.08 0.02 0.00 0.00 176.95 177.64 1w39 s VAL 96 N -0.30 0.03 0.00 4.03 1.01 -0.87 -4.44 120.40 119.85 1w39 s VAL 96 Ca 0.37 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 1w39 s VAL 96 Cb -0.21 -0.69 -0.08 0.00 0.00 0.00 0.00 36.38 35.41 1w39 s VAL 96 CO 0.23 -0.15 1.86 -2.84 0.00 0.00 0.00 175.10 174.20 1w39 s PRO 97 N -0.93 4.15 0.60 2.72 0.02 -1.26 -1.41 135.00 138.88 1w39 s PRO 97 Ca -0.10 2.46 0.29 0.00 0.02 0.00 0.00 61.00 63.67 1w39 s PRO 97 Cb -0.04 -4.10 1.02 0.00 0.02 0.00 0.00 34.50 31.40 1w39 s PRO 97 CO 0.05 -0.93 1.35 0.00 -0.33 0.00 0.00 177.00 177.13 1w39 h ALA 98 N 10.26 3.05 -0.57 -1.55 0.00 0.16 0.55 119.26 131.17 1w39 h ALA 98 Ca -0.46 -0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.06 1w39 h ALA 98 Cb 1.22 0.08 -0.17 0.00 0.00 0.00 0.00 17.79 18.92 1w39 h ALA 98 CO 0.95 -1.80 0.45 0.00 0.00 0.00 0.00 179.25 178.85 1w39 n GLN 99 N -3.33 1.86 -5.21 0.00 10.64 -1.08 -4.90 117.38 115.35 1w39 n GLN 99 Ca 0.25 -1.80 -0.31 0.00 -1.83 0.00 0.00 57.00 53.31 1w39 n GLN 99 Cb 1.56 -1.70 -0.16 0.00 -0.86 0.00 0.00 30.24 29.08 1w39 n GLN 99 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1w39 s SER 100 N -0.22 3.24 0.00 2.61 0.15 0.19 -4.97 113.70 114.70 1w39 s SER 100 Ca 0.35 -0.44 0.09 0.00 0.70 0.00 0.00 55.95 56.66 1w39 s SER 100 Cb 0.28 -0.63 0.45 0.00 -1.71 0.00 0.00 66.02 64.41 1w39 s SER 100 CO 0.02 0.29 1.23 -0.81 1.20 0.00 0.00 173.24 175.18 1w39 n PRO 101 N 2.63 0.08 -2.28 5.44 -0.04 -1.26 -4.87 135.00 134.70 1w39 n PRO 101 Ca -0.17 0.25 -0.37 0.00 -0.04 0.00 0.00 63.50 63.18 1w39 n PRO 101 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 1w39 n PRO 101 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1w39 s VAL 102 N -2.74 3.15 0.15 0.52 0.11 -1.26 -5.06 120.40 115.27 1w39 s VAL 102 Ca 0.07 0.88 0.10 0.00 -2.93 0.00 0.00 61.98 60.10 1w39 s VAL 102 Cb 0.06 -3.45 -0.04 0.00 -1.53 0.00 0.00 36.38 31.42 1w39 s VAL 102 CO 0.15 0.00 -0.23 0.42 -3.33 0.00 0.00 175.10 172.12 1w39 s THR 103 N -1.53 2.07 0.37 5.04 -4.23 -1.26 -5.05 115.64 111.05 1w39 s THR 103 Ca 0.62 -1.82 0.16 0.00 -1.18 0.00 0.00 61.69 59.47 1w39 s THR 103 Cb -0.28 -1.90 0.37 0.00 1.34 0.00 0.00 72.50 72.03 1w39 s THR 103 CO 0.35 -0.09 1.75 -0.65 -0.54 0.00 0.00 174.62 175.44 1w39 h PRO 104 N 3.60 0.43 0.00 3.99 0.11 -1.89 0.26 132.00 138.50 1w39 h PRO 104 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1w39 h PRO 104 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1w39 h PRO 104 CO 0.44 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 178.51 1w39 n ALA 105 N -2.42 1.62 -2.80 -0.75 0.00 -1.26 -2.64 120.51 112.25 1w39 n ALA 105 Ca 0.26 -0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.57 1w39 n ALA 105 Cb 0.86 -1.05 0.02 0.00 0.00 0.00 0.00 19.45 19.28 1w39 n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1w39 n GLN 106 N -0.99 1.10 0.04 0.00 10.64 0.91 -4.96 117.38 124.12 1w39 n GLN 106 Ca 0.02 -3.21 -0.09 0.00 -1.83 0.00 0.00 57.00 51.89 1w39 n GLN 106 Cb 0.01 -1.32 -0.07 0.00 -0.86 0.00 0.00 30.24 28.01 1w39 n GLN 106 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 1w39 h ILE 107 N 2.43 0.73 0.00 -0.39 2.04 -1.64 -3.20 117.51 117.49 1w39 h ILE 107 Ca -0.05 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.62 1w39 h ILE 107 Cb 1.13 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1w39 h ILE 107 CO 0.47 0.21 0.00 0.35 0.00 0.00 0.00 178.15 179.18 1w39 n THR 108 N -4.89 1.02 0.59 -0.27 -2.24 -1.26 0.11 114.28 107.35 1w39 n THR 108 Ca -0.07 0.26 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 1w39 n THR 108 Cb 0.24 -1.25 0.08 0.00 -2.10 0.00 0.00 70.33 67.30 1w39 n THR 108 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1w39 n LYS 109 N -1.26 0.27 -3.70 -0.78 5.02 -1.21 -4.92 118.16 111.59 1w39 n LYS 109 Ca 0.00 0.03 -0.24 0.00 -2.02 0.00 0.00 58.31 56.07 1w39 n LYS 109 Cb 0.00 -1.62 -0.02 0.00 -0.02 0.00 0.00 35.03 33.37 1w39 n LYS 109 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1w39 s THR 110 N -3.18 5.20 0.16 -0.18 2.01 0.30 -5.01 115.64 114.94 1w39 s THR 110 Ca 0.05 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 1w39 s THR 110 Cb 0.14 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.87 1w39 s THR 110 CO 0.77 -0.33 1.60 0.22 -0.69 0.00 0.00 174.62 176.19 1w39 h TYR 111 N 1.37 1.02 0.00 4.92 3.20 -1.91 -1.06 116.97 124.51 1w39 h TYR 111 Ca -0.50 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.19 1w39 h TYR 111 Cb 1.21 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1w39 h TYR 111 CO 0.51 0.94 0.00 0.41 -1.64 0.00 0.00 178.16 178.38 1w39 n GLY 112 N -0.37 -0.64 3.11 1.82 0.00 -1.26 -4.87 105.19 102.98 1w39 n GLY 112 Ca 0.01 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1w39 n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w39 n GLY 113 N 0.25 -3.02 0.00 -0.02 0.00 -0.40 -4.18 105.19 97.82 1w39 n GLY 113 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1w39 n GLY 113 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1w39 n GLN 114 N 1.42 0.00 -4.18 1.61 -0.06 -1.12 -4.94 117.38 110.10 1w39 n GLN 114 Ca 0.08 0.00 -0.17 0.00 -2.00 0.00 0.00 57.00 54.91 1w39 n GLN 114 Cb 0.44 0.00 -0.11 0.00 -4.06 0.00 0.00 30.24 26.51 1w39 n GLN 114 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1w39 s ILE 115 N 0.00 1.08 0.36 1.69 1.01 -1.26 -1.21 121.20 122.87 1w39 s ILE 115 Ca 0.00 -1.48 0.06 0.00 0.00 0.00 0.00 60.65 59.23 1w39 s ILE 115 Cb 0.00 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 1w39 s ILE 115 CO 0.00 -0.37 0.23 -0.36 0.00 0.00 0.00 174.94 174.44 1w39 s PHE 116 N -1.80 1.76 -0.19 3.97 0.08 0.19 -4.98 117.98 117.01 1w39 s PHE 116 Ca 0.02 -1.54 0.16 0.00 0.12 0.00 0.00 56.93 55.69 1w39 s PHE 116 Cb -0.07 -0.87 0.45 0.00 -0.57 0.00 0.00 43.02 41.96 1w39 s PHE 116 CO 0.02 -0.68 1.18 0.00 -0.10 0.00 0.00 175.22 175.64 1w39 n ILE 118 N -0.52 0.00 -3.28 0.00 2.08 -0.99 0.20 119.36 116.85 1w39 n ILE 118 Ca 0.20 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 63.36 1w39 n ILE 118 Cb 0.89 -0.01 0.08 0.00 -0.75 0.00 0.00 39.64 39.85 1w39 n ILE 118 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1w39 n GLY 119 N 0.16 -0.46 1.52 7.39 0.00 -1.26 -1.94 105.19 110.59 1w39 n GLY 119 Ca 0.02 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1w39 n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w39 n GLY 120 N -1.15 1.19 1.67 -0.02 0.00 0.13 -3.05 105.19 103.96 1w39 n GLY 120 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1w39 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w39 n ALA 121 N 1.44 -1.62 -1.38 4.61 0.00 -1.20 -4.29 120.51 118.08 1w39 n ALA 121 Ca 0.00 0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.63 1w39 n ALA 121 Cb 0.21 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.49 1w39 n ALA 121 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1w39 n ILE 122 N 0.04 -0.01 0.00 0.00 -0.00 -1.20 -4.84 119.36 113.35 1w39 n ILE 122 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1w39 n ILE 122 Cb 0.00 -1.19 0.00 0.00 -0.00 0.00 0.00 39.64 38.45 1w39 n ILE 122 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1w39 n GLN 123 N -1.83 0.00 -0.66 0.38 -0.00 -1.26 -5.08 117.38 108.92 1w39 n GLN 123 Ca -0.12 0.00 0.07 0.00 -0.00 0.00 0.00 57.00 56.94 1w39 n GLN 123 Cb 0.41 -0.44 -0.04 0.00 -0.00 0.00 0.00 30.24 30.18 1w39 n GLN 123 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1w39 n THR 124 N -0.57 -0.56 0.00 -0.39 5.66 -1.26 -5.08 114.28 112.08 1w39 n THR 124 Ca 0.00 0.47 0.00 0.00 -3.05 0.00 0.00 64.05 61.47 1w39 n THR 124 Cb 0.00 -0.72 0.00 0.00 -1.55 0.00 0.00 70.33 68.06 1w39 n THR 124 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1w39 n LEU 125 N -2.91 0.00 -4.29 1.09 4.77 -1.26 -5.09 117.00 109.31 1w39 n LEU 125 Ca -0.04 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.66 1w39 n LEU 125 Cb 0.30 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.63 1w39 n LEU 125 CO 0.02 0.00 0.15 -1.20 -1.33 0.00 0.00 177.39 175.03 1w39 n SER 126 N 0.00 -2.81 -4.79 -1.43 7.64 -1.26 -4.76 113.62 106.21 1w39 n SER 126 Ca 0.00 -0.41 -0.36 0.00 1.01 0.00 0.00 58.87 59.11 1w39 n SER 126 Cb 0.00 -1.04 -0.04 0.00 -1.01 0.00 0.00 64.21 62.12 1w39 n SER 126 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1w39 s PRO 127 N -4.23 4.08 0.31 1.43 0.02 -1.26 -4.78 135.00 130.56 1w39 s PRO 127 Ca 0.61 1.47 -0.29 0.00 0.02 0.00 0.00 61.00 62.81 1w39 s PRO 127 Cb -0.16 -2.43 -0.10 0.00 0.02 0.00 0.00 34.50 31.84 1w39 s PRO 127 CO 0.59 -0.21 1.15 -0.51 -0.33 0.00 0.00 177.00 177.69 1w39 s LEU 128 N -2.86 4.48 0.13 -5.54 1.43 -0.72 -4.79 118.68 110.81 1w39 s LEU 128 Ca 0.60 2.36 0.10 0.00 -1.03 0.00 0.00 54.13 56.16 1w39 s LEU 128 Cb -0.20 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.29 1w39 s LEU 128 CO 0.25 -0.29 -0.21 -0.63 0.23 0.00 0.00 176.35 175.71 1w39 s ILE 129 N -1.20 2.65 -0.34 -0.59 -1.09 -1.26 -1.25 121.20 118.12 1w39 s ILE 129 Ca 0.47 -1.64 0.00 0.00 -2.23 0.00 0.00 60.65 57.25 1w39 s ILE 129 Cb -0.33 -2.22 0.14 0.00 -1.58 0.00 0.00 42.46 38.47 1w39 s ILE 129 CO 0.43 0.06 0.26 -0.69 -1.23 0.00 0.00 174.94 173.77 1w39 s VAL 130 N -1.21 -0.12 0.21 2.92 1.01 0.21 -4.96 120.40 118.46 1w39 s VAL 130 Ca 0.18 -1.15 -0.32 0.00 0.00 0.00 0.00 61.98 60.68 1w39 s VAL 130 Cb -0.10 -0.94 -0.13 0.00 0.00 0.00 0.00 36.38 35.21 1w39 s VAL 130 CO 0.09 -0.75 1.66 0.29 0.00 0.00 0.00 175.10 176.39 1w39 n LYS 131 N 4.49 2.58 -2.84 2.72 4.76 -1.26 -1.58 118.16 127.03 1w39 n LYS 131 Ca 0.07 0.93 -0.41 0.00 -2.87 0.00 0.00 58.31 56.02 1w39 n LYS 131 Cb 0.42 -2.74 -0.04 0.00 -1.84 0.00 0.00 35.03 30.83 1w39 n LYS 131 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1w39 n PRO 133 N 4.30 1.72 0.13 0.00 -0.04 -1.26 -4.73 135.00 135.12 1w39 n PRO 133 Ca 0.04 -2.52 0.04 0.00 -0.04 0.00 0.00 63.50 61.01 1w39 n PRO 133 Cb 0.50 -3.71 0.44 0.00 -0.04 0.00 0.00 33.50 30.70 1w39 n PRO 133 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1w39 h LEU 134 N 17.32 0.21 -2.96 1.53 3.38 -1.91 -1.93 115.31 130.95 1w39 h LEU 134 Ca 0.24 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1w39 h LEU 134 Cb 0.93 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1w39 h LEU 134 CO 1.25 0.30 0.00 -1.84 0.09 0.00 0.00 178.44 178.24 1w39 n GLU 135 N -4.35 0.78 -0.42 1.13 0.00 -1.26 -2.13 120.64 114.38 1w39 n GLU 135 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 1w39 n GLU 135 Cb 0.20 -1.11 0.00 0.00 0.00 0.00 0.00 31.44 30.53 1w39 n GLU 135 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 1w39 n MET 136 N 1.40 0.00 -3.65 3.44 0.00 -0.72 -4.87 117.12 112.71 1w39 n MET 136 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 57.70 57.44 1w39 n MET 136 Cb 0.39 -0.13 -0.07 0.00 0.00 0.00 0.00 33.22 33.41 1w39 n MET 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1w39 s MET 137 N 0.00 0.08 -0.68 2.12 0.23 -0.91 -4.77 119.30 115.38 1w39 s MET 137 Ca 0.00 0.10 -0.33 0.00 -1.03 0.00 0.00 55.69 54.44 1w39 s MET 137 Cb 0.00 0.04 -0.16 0.00 -1.53 0.00 0.00 34.83 33.17 1w39 s MET 137 CO 0.00 -0.01 2.45 0.94 -2.03 0.00 0.00 175.02 176.37 1w39 n GLN 138 N 1.90 0.43 -0.00 3.16 0.00 0.05 -4.79 117.38 118.13 1w39 n GLN 138 Ca -0.12 0.06 0.11 0.00 -0.00 0.00 0.00 57.00 57.05 1w39 n GLN 138 Cb 0.57 -2.09 0.64 0.00 0.00 0.00 0.00 30.24 29.36 1w39 n GLN 138 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1w39 n PRO 139 N 8.38 1.05 -2.58 3.69 -0.04 -1.26 -3.82 135.00 140.42 1w39 n PRO 139 Ca 0.53 -0.07 -0.43 0.00 -0.04 0.00 0.00 63.50 63.49 1w39 n PRO 139 Cb 0.16 -1.35 -0.02 0.00 -0.04 0.00 0.00 33.50 32.25 1w39 n PRO 139 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1w39 s ARG 140 N -1.99 3.61 0.00 0.54 0.52 -1.26 0.82 118.95 121.18 1w39 s ARG 140 Ca 0.33 0.40 0.25 0.00 -0.52 0.00 0.00 55.73 56.20 1w39 s ARG 140 Cb 0.16 -3.97 0.53 0.00 0.52 0.00 0.00 34.95 32.18 1w39 s ARG 140 CO 0.26 -1.55 1.42 1.33 0.02 0.00 0.00 175.30 176.78 1w39 n VAL 141 N 6.77 0.00 -3.70 3.52 0.24 0.12 -4.85 118.33 120.42 1w39 n VAL 141 Ca 0.10 -0.05 -0.11 0.00 -2.04 0.00 0.00 64.34 62.24 1w39 n VAL 141 Cb 0.49 0.38 -0.11 0.00 -1.47 0.00 0.00 33.84 33.13 1w39 n VAL 141 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1w39 s LYS 142 N -2.82 0.41 0.03 7.34 2.20 -0.51 -4.93 119.74 121.46 1w39 s LYS 142 Ca 0.16 0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 56.50 1w39 s LYS 142 Cb 0.18 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 1w39 s LYS 142 CO 0.65 -0.14 0.06 -3.47 -0.36 0.00 0.00 175.35 172.09 1w39 n ASP 143 N 3.97 -0.17 0.19 1.43 2.03 -1.22 -0.46 116.55 122.33 1w39 n ASP 143 Ca -0.21 -1.12 0.13 0.00 0.52 0.00 0.00 54.79 54.11 1w39 n ASP 143 Cb 0.56 0.28 0.36 0.00 -0.72 0.00 0.00 41.12 41.59 1w39 n ASP 143 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1w39 h SER 144 N 0.15 0.00 -2.69 1.67 0.02 -2.03 -3.45 113.55 107.21 1w39 h SER 144 Ca -0.02 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.40 1w39 h SER 144 Cb 0.09 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.49 1w39 h SER 144 CO 0.03 0.00 -0.63 0.27 -1.14 0.00 0.00 176.83 175.36 1w39 s ILE 145 N -3.28 1.58 -0.40 3.27 -4.36 -1.26 -5.11 121.20 111.64 1w39 s ILE 145 Ca 0.07 -2.05 -0.17 0.00 -0.26 0.00 0.00 60.65 58.24 1w39 s ILE 145 Cb 0.08 -2.74 0.01 0.00 1.25 0.00 0.00 42.46 41.06 1w39 s ILE 145 CO 0.60 -0.10 0.46 -1.58 0.24 0.00 0.00 174.94 174.56 1w39 s GLN 146 N -3.78 3.29 0.55 0.37 2.00 -1.26 -5.00 119.66 115.82 1w39 s GLN 146 Ca 0.34 -0.55 -0.04 0.00 -2.00 0.00 0.00 55.36 53.10 1w39 s GLN 146 Cb 0.07 -3.91 0.00 0.00 0.80 0.00 0.00 33.01 29.98 1w39 s GLN 146 CO 0.15 -0.77 0.84 0.71 -0.50 0.00 0.00 175.29 175.71 1w39 s TYR 147 N 2.23 3.27 -0.09 1.67 2.02 -1.26 -5.04 117.35 120.16 1w39 s TYR 147 Ca 0.14 0.55 -0.04 0.00 -0.37 0.00 0.00 57.07 57.36 1w39 s TYR 147 Cb -0.16 -2.60 -0.04 0.00 -0.40 0.00 0.00 41.96 38.76 1w39 s TYR 147 CO 0.14 -0.67 -0.11 1.28 -1.57 0.00 0.00 175.55 174.62 1w39 n LEU 148 N -2.43 1.01 -0.84 -1.29 4.77 -1.26 -4.71 117.00 112.24 1w39 n LEU 148 Ca 0.03 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1w39 n LEU 148 Cb 0.57 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1w39 n LEU 148 CO 0.51 0.26 0.19 -0.90 -1.33 0.00 0.00 177.39 176.12 1w39 n ASP 149 N -3.28 1.04 -4.77 -1.43 5.68 -1.26 -2.64 116.55 109.90 1w39 n ASP 149 Ca -0.17 -0.89 -0.32 0.00 -0.50 0.00 0.00 54.79 52.92 1w39 n ASP 149 Cb 0.63 -0.22 0.08 0.00 -1.14 0.00 0.00 41.12 40.46 1w39 n ASP 149 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1w39 s SER 150 N 0.49 4.70 0.18 -1.12 0.15 -1.25 -0.77 113.70 116.08 1w39 s SER 150 Ca 0.00 1.91 -0.31 0.00 0.70 0.00 0.00 55.95 58.25 1w39 s SER 150 Cb 0.00 -2.53 -0.10 0.00 -1.71 0.00 0.00 66.02 61.68 1w39 s SER 150 CO 0.00 -1.91 1.52 -2.84 1.20 0.00 0.00 173.24 171.21 1w39 s PRO 151 N -4.57 4.24 -0.05 5.44 0.02 -1.25 0.17 135.00 139.00 1w39 s PRO 151 Ca 0.64 2.31 0.02 0.00 0.02 0.00 0.00 61.00 63.98 1w39 s PRO 151 Cb -0.19 -3.16 0.02 0.00 0.02 0.00 0.00 34.50 31.19 1w39 s PRO 151 CO 0.50 -0.54 -0.07 0.21 -0.33 0.00 0.00 177.00 176.77 1w39 s LYS 152 N 0.80 1.11 0.02 5.54 2.20 -0.50 -2.80 119.74 126.11 1w39 s LYS 152 Ca 0.67 -0.22 -0.10 0.00 -0.36 0.00 0.00 55.97 55.96 1w39 s LYS 152 Cb -0.42 -1.01 -0.05 0.00 -1.51 0.00 0.00 37.83 34.83 1w39 s LYS 152 CO 0.34 -0.03 0.33 -1.17 -0.36 0.00 0.00 175.35 174.46 1w39 s LEU 153 N 0.75 4.39 -0.16 5.43 2.96 0.63 -2.06 118.68 130.61 1w39 s LEU 153 Ca -0.12 0.72 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 1w39 s LEU 153 Cb -0.14 -2.71 0.02 0.00 0.50 0.00 0.00 46.19 43.86 1w39 s LEU 153 CO 0.01 0.25 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.35 1w39 s LEU 154 N -1.60 2.05 0.13 -0.68 1.43 -0.85 -1.29 118.68 117.86 1w39 s LEU 154 Ca 0.27 -0.61 0.09 0.00 -1.03 0.00 0.00 54.13 52.85 1w39 s LEU 154 Cb -0.14 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 1w39 s LEU 154 CO 0.15 0.01 -0.15 -0.63 0.23 0.00 0.00 176.35 175.96 1w39 s ILE 155 N 1.21 3.02 -0.40 -0.59 1.01 0.28 -1.80 121.20 123.92 1w39 s ILE 155 Ca 0.02 -1.49 0.04 0.00 0.00 0.00 0.00 60.65 59.22 1w39 s ILE 155 Cb -0.14 -2.41 0.16 0.00 0.01 0.00 0.00 42.46 40.08 1w39 s ILE 155 CO -0.10 0.06 0.44 -0.55 0.00 0.00 0.00 174.94 174.79 1w39 s SER 156 N -2.30 0.63 0.10 3.58 0.15 0.56 -1.38 113.70 115.05 1w39 s SER 156 Ca 0.20 -1.75 -0.18 0.00 0.70 0.00 0.00 55.95 54.92 1w39 s SER 156 Cb -0.10 0.71 -0.07 0.00 -1.71 0.00 0.00 66.02 64.85 1w39 s SER 156 CO 0.12 -0.21 0.58 -0.63 1.20 0.00 0.00 173.24 174.30 1w39 s ILE 157 N 1.19 4.75 -0.38 6.45 1.09 0.81 -1.51 121.20 133.60 1w39 s ILE 157 Ca 0.21 1.14 0.01 0.00 -1.10 0.00 0.00 60.65 60.91 1w39 s ILE 157 Cb -0.10 -3.86 0.15 0.00 -1.06 0.00 0.00 42.46 37.59 1w39 s ILE 157 CO -0.05 0.46 0.25 0.42 -0.10 0.00 0.00 174.94 175.92 1w39 s THR 158 N -1.22 0.37 0.96 2.92 -4.23 -0.56 -0.10 115.64 113.79 1w39 s THR 158 Ca 0.32 -2.08 -0.11 0.00 -1.18 0.00 0.00 61.69 58.64 1w39 s THR 158 Cb -0.18 -1.27 0.14 0.00 1.34 0.00 0.00 72.50 72.52 1w39 s THR 158 CO 0.19 -1.04 0.92 0.00 -0.54 0.00 0.00 174.62 174.15 1w39 n ALA 159 N 3.65 -1.60 -1.58 3.99 0.00 -1.26 -3.46 120.51 120.26 1w39 n ALA 159 Ca 0.16 -0.67 -0.39 0.00 0.00 0.00 0.00 53.44 52.54 1w39 n ALA 159 Cb 0.39 -2.06 0.04 0.00 0.00 0.00 0.00 19.45 17.82 1w39 n ALA 159 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1w39 n GLN 160 N -3.69 0.90 -0.20 0.00 1.13 -1.26 -4.75 117.38 109.51 1w39 n GLN 160 Ca 0.09 0.34 0.04 0.00 -1.94 0.00 0.00 57.00 55.54 1w39 n GLN 160 Cb 0.53 -2.02 0.31 0.00 0.11 0.00 0.00 30.24 29.17 1w39 n GLN 160 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1w39 h PRO 161 N 0.65 0.83 -3.71 -1.09 0.13 -1.93 -3.27 132.00 123.61 1w39 h PRO 161 Ca -0.47 -0.05 -0.78 0.00 -0.87 0.00 0.00 66.00 63.84 1w39 h PRO 161 Cb 1.37 -0.19 -0.28 0.00 0.13 0.00 0.00 31.00 32.03 1w39 h PRO 161 CO 0.51 0.55 0.11 0.99 -0.23 0.00 0.00 178.00 179.93 1w39 s THR 162 N -5.74 5.40 0.15 1.56 2.01 -1.26 -5.05 115.64 112.72 1w39 s THR 162 Ca -0.10 -2.82 -0.10 0.00 0.31 0.00 0.00 61.69 58.97 1w39 s THR 162 Cb 0.19 -4.33 -0.07 0.00 0.01 0.00 0.00 72.50 68.30 1w39 s THR 162 CO 0.78 -1.05 0.10 0.00 -0.69 0.00 0.00 174.62 173.75 1w39 n ALA 163 N 3.54 -2.02 -2.13 7.40 0.00 -1.24 -4.98 120.51 121.09 1w39 n ALA 163 Ca 0.16 0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.45 1w39 n ALA 163 Cb 0.44 -0.68 0.03 0.00 0.00 0.00 0.00 19.45 19.23 1w39 n ALA 163 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1w39 s PRO 164 N -0.45 2.85 0.08 0.00 0.02 -1.26 -5.02 135.00 131.21 1w39 s PRO 164 Ca 0.27 -0.27 -0.33 0.00 0.02 0.00 0.00 61.00 60.70 1w39 s PRO 164 Cb -0.33 -2.37 -0.18 0.00 0.02 0.00 0.00 34.50 31.64 1w39 s PRO 164 CO 0.27 -0.62 1.62 -1.35 -0.33 0.00 0.00 177.00 176.59 1w39 h PRO 165 N -0.01 -0.84 0.00 5.54 0.11 -1.97 -3.46 132.00 131.37 1w39 h PRO 165 Ca -0.45 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1w39 h PRO 165 Cb 1.27 0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.57 1w39 h PRO 165 CO 0.59 -0.56 0.00 0.00 -0.21 0.00 0.00 178.00 177.82 1w39 n ALA 166 N -2.52 0.00 -1.77 -0.75 0.00 -1.26 -5.09 120.51 109.12 1w39 n ALA 166 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.93 1w39 n ALA 166 Cb 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.77 1w39 n ALA 166 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1w39 s SER 167 N -0.57 7.01 0.13 0.00 0.01 -1.26 -4.57 113.70 114.46 1w39 s SER 167 Ca 0.00 2.08 0.26 0.00 1.31 0.00 0.00 55.95 59.60 1w39 s SER 167 Cb 0.00 -2.60 0.73 0.00 0.21 0.00 0.00 66.02 64.36 1w39 s SER 167 CO 0.00 -0.31 1.65 0.35 0.41 0.00 0.00 173.24 175.34 1w39 n THR 168 N 0.45 0.39 -3.65 1.44 -2.24 0.10 -4.52 114.28 106.24 1w39 n THR 168 Ca 0.02 -0.21 -0.06 0.00 -2.27 0.00 0.00 64.05 61.53 1w39 n THR 168 Cb 0.48 -0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.31 1w39 n THR 168 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1w39 s ILE 170 N -3.28 1.65 -0.34 0.00 1.01 -0.92 -2.44 121.20 116.89 1w39 s ILE 170 Ca 0.09 -0.72 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 1w39 s ILE 170 Cb -0.01 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 1w39 s ILE 170 CO -0.03 0.47 0.26 -0.63 0.00 0.00 0.00 174.94 175.01 1w39 s ILE 171 N 1.04 5.27 0.28 2.92 1.01 0.12 -0.65 121.20 131.20 1w39 s ILE 171 Ca -0.04 -0.17 0.12 0.00 0.00 0.00 0.00 60.65 60.55 1w39 s ILE 171 Cb -0.15 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 1w39 s ILE 171 CO -0.04 -0.02 -0.18 0.42 0.00 0.00 0.00 174.94 175.13 1w39 s THR 172 N 1.76 2.57 -0.14 2.92 -4.23 0.21 -0.19 115.64 118.55 1w39 s THR 172 Ca 0.07 -2.36 0.03 0.00 -1.18 0.00 0.00 61.69 58.24 1w39 s THR 172 Cb -0.17 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.33 1w39 s THR 172 CO 0.11 -0.40 -0.22 -0.69 -0.54 0.00 0.00 174.62 172.88 1w39 s VAL 173 N -2.49 2.09 0.11 2.29 1.01 0.86 -1.33 120.40 122.95 1w39 s VAL 173 Ca 0.30 -0.97 0.10 0.00 0.00 0.00 0.00 61.98 61.41 1w39 s VAL 173 Cb -0.05 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1w39 s VAL 173 CO 0.15 0.55 -0.25 -0.44 0.00 0.00 0.00 175.10 175.11 1w39 s SER 174 N 0.77 3.08 0.01 3.32 0.01 -0.75 -0.02 113.70 120.13 1w39 s SER 174 Ca -0.08 -0.70 -0.21 0.00 1.31 0.00 0.00 55.95 56.27 1w39 s SER 174 Cb -0.16 -0.21 0.07 0.00 0.21 0.00 0.00 66.02 65.93 1w39 s SER 174 CO -0.01 0.16 0.94 0.61 0.41 0.00 0.00 173.24 175.35 1w39 n GLY 175 N 1.12 0.39 3.07 3.44 0.00 0.71 -1.30 105.19 112.63 1w39 n GLY 175 Ca -0.18 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 1w39 n GLY 175 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w39 s THR 176 N -2.07 1.07 -0.02 2.61 2.01 -0.73 0.89 115.64 119.39 1w39 s THR 176 Ca 0.22 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.70 1w39 s THR 176 Cb -0.01 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 1w39 s THR 176 CO 0.00 0.31 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.46 1w39 s LEU 177 N -0.01 3.36 -0.32 4.42 1.43 0.18 0.09 118.68 127.83 1w39 s LEU 177 Ca -0.01 -0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1w39 s LEU 177 Cb -0.08 -1.87 0.05 0.00 0.03 0.00 0.00 46.19 44.32 1w39 s LEU 177 CO 0.01 0.31 0.03 -0.55 0.23 0.00 0.00 176.35 176.38 1w39 s SER 178 N -1.30 5.00 0.42 2.29 0.15 0.13 -0.79 113.70 119.61 1w39 s SER 178 Ca 0.17 -1.30 0.05 0.00 0.70 0.00 0.00 55.95 55.56 1w39 s SER 178 Cb -0.11 -1.75 -0.06 0.00 -1.71 0.00 0.00 66.02 62.39 1w39 s SER 178 CO 0.07 -0.29 0.02 -0.04 1.20 0.00 0.00 173.24 174.20 1w39 s MET 179 N 1.27 1.97 0.00 5.44 1.00 -0.89 -1.02 119.30 127.07 1w39 s MET 179 Ca -0.04 -2.16 0.00 0.00 0.00 0.00 0.00 55.69 53.50 1w39 s MET 179 Cb -0.20 -1.46 0.00 0.00 0.00 0.00 0.00 34.83 33.17 1w39 s MET 179 CO -0.01 -0.16 0.00 -2.39 0.00 0.00 0.00 175.02 172.46 1w39 n HIS 180 N -1.00 0.00 -1.60 -0.03 1.44 -0.98 -1.33 115.22 111.73 1w39 n HIS 180 Ca -0.08 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.63 1w39 n HIS 180 Cb 0.67 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.78 1w39 n HIS 180 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1w39 n SER 181 N 0.00 -2.30 -4.69 4.39 7.64 -1.26 -2.95 113.62 114.46 1w39 n SER 181 Ca 0.00 0.12 -0.43 0.00 1.01 0.00 0.00 58.87 59.57 1w39 n SER 181 Cb 0.00 -1.35 -0.01 0.00 -1.01 0.00 0.00 64.21 61.84 1w39 n SER 181 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1w39 n PRO 182 N 0.08 2.02 -3.63 1.43 -0.04 -1.26 -0.68 135.00 132.92 1w39 n PRO 182 Ca -0.01 0.71 -0.38 0.00 -0.04 0.00 0.00 63.50 63.78 1w39 n PRO 182 Cb 0.02 -2.28 -0.11 0.00 -0.04 0.00 0.00 33.50 31.09 1w39 n PRO 182 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1w39 s LEU 183 N -0.90 3.89 -1.17 1.53 2.96 -0.53 -4.67 118.68 119.80 1w39 s LEU 183 Ca 0.56 -0.09 -0.23 0.00 -0.22 0.00 0.00 54.13 54.15 1w39 s LEU 183 Cb -0.58 -2.07 -0.08 0.00 0.50 0.00 0.00 46.19 43.96 1w39 s LEU 183 CO 0.62 -0.06 1.93 -0.63 -1.32 0.00 0.00 176.35 176.89 1w39 s ILE 184 N 1.72 3.55 0.27 6.68 -1.09 -1.26 -4.74 121.20 126.33 1w39 s ILE 184 Ca 0.07 -0.90 0.01 0.00 -2.23 0.00 0.00 60.65 57.60 1w39 s ILE 184 Cb -0.16 -4.55 0.01 0.00 -1.58 0.00 0.00 42.46 36.19 1w39 s ILE 184 CO 0.09 -1.00 0.11 1.07 -1.23 0.00 0.00 174.94 173.97 1w39 n THR 185 N 7.79 0.00 -2.89 2.92 5.66 -1.26 -5.10 114.28 121.40 1w39 n THR 185 Ca 0.45 -1.16 -0.41 0.00 -3.05 0.00 0.00 64.05 59.87 1w39 n THR 185 Cb 0.47 -0.02 -0.04 0.00 -1.55 0.00 0.00 70.33 69.19 1w39 n THR 185 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1w39 s ASP 186 N -2.52 6.97 -0.13 1.09 2.15 -1.26 -4.92 116.67 118.04 1w39 s ASP 186 Ca 0.08 1.19 0.17 0.00 0.43 0.00 0.00 52.55 54.42 1w39 s ASP 186 Cb -0.01 -2.45 0.73 0.00 -0.30 0.00 0.00 42.92 40.88 1w39 s ASP 186 CO 0.05 -0.38 1.63 0.35 -0.17 0.00 0.00 175.17 176.65 1w39 n THR 187 N 4.66 1.95 0.00 1.71 -2.24 -1.26 -4.61 114.28 114.49 1w39 n THR 187 Ca 0.04 -1.18 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 1w39 n THR 187 Cb 0.49 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1w39 n THR 187 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1w39 n SER 188 N 1.02 0.00 -0.16 3.42 2.88 -1.26 -5.28 113.62 114.23 1w39 n SER 188 Ca 0.26 0.92 0.02 0.00 -1.33 0.00 0.00 58.87 58.74 1w39 n SER 188 Cb 0.93 -0.42 0.02 0.00 -0.75 0.00 0.00 64.21 63.98 1w39 n SER 188 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16