#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g39 n PRO 3 N 3.36 2.45 0.00 0.00 -0.02 -1.26 -4.93 135.00 134.59 3g39 n PRO 3 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3g39 n PRO 3 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 3g39 n PRO 3 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3g39 n GLN 5 N 0.00 0.00 -3.55 -0.52 6.02 -1.26 -4.62 117.38 113.45 3g39 n GLN 5 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 3g39 n GLN 5 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 3g39 n GLN 5 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3g39 s SER 7 N -4.13 3.15 -0.02 0.00 1.04 -0.14 -4.96 113.70 108.64 3g39 s SER 7 Ca 0.48 -0.53 0.07 0.00 0.48 0.00 0.00 55.95 56.45 3g39 s SER 7 Cb -0.04 -1.30 -0.02 0.00 0.10 0.00 0.00 66.02 64.76 3g39 s SER 7 CO 0.28 0.18 -0.24 0.00 0.98 0.00 0.00 173.24 174.44 3g39 s SER 9 N -0.57 1.02 1.24 0.00 0.15 -0.67 -5.02 113.70 109.85 3g39 s SER 9 Ca 0.09 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.82 3g39 s SER 9 Cb -0.09 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 3g39 s SER 9 CO -0.01 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.75 3g39 n GLY 10 N 5.33 3.07 0.83 9.45 0.00 -1.26 -1.83 105.19 120.78 3g39 n GLY 10 Ca -0.05 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 45.81 3g39 n GLY 10 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g39 n THR 11 N 0.00 0.78 -3.73 2.61 -2.24 -1.26 -4.83 114.28 105.61 3g39 n THR 11 Ca 0.00 -0.53 -0.35 0.00 -2.27 0.00 0.00 64.05 60.90 3g39 n THR 11 Cb 0.00 -0.03 -0.08 0.00 -2.10 0.00 0.00 70.33 68.13 3g39 n THR 11 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3g39 s THR 12 N -1.65 5.41 -0.24 4.28 2.01 -0.76 -0.34 115.64 124.34 3g39 s THR 12 Ca 0.24 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.47 3g39 s THR 12 Cb 0.15 -3.48 0.04 0.00 0.01 0.00 0.00 72.50 69.22 3g39 s THR 12 CO 0.12 0.46 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.72 3g39 s VAL 13 N 0.16 2.48 -0.45 3.82 1.01 0.32 -1.67 120.40 126.08 3g39 s VAL 13 Ca 0.10 -1.25 -0.08 0.00 0.00 0.00 0.00 61.98 60.75 3g39 s VAL 13 Cb -0.11 -2.30 0.11 0.00 0.00 0.00 0.00 36.38 34.07 3g39 s VAL 13 CO -0.00 0.16 0.30 -0.62 0.00 0.00 0.00 175.10 174.93 3g39 s ASP 14 N 1.23 5.59 -0.21 3.32 -1.08 0.40 -1.15 116.67 124.78 3g39 s ASP 14 Ca -0.02 -1.85 0.15 0.00 -0.52 0.00 0.00 52.55 50.31 3g39 s ASP 14 Cb -0.17 -1.97 0.61 0.00 -1.46 0.00 0.00 42.92 39.93 3g39 s ASP 14 CO -0.06 -0.63 1.52 0.00 0.52 0.00 0.00 175.17 176.52 3g39 s SER 16 N -1.66 7.17 -1.11 0.00 1.04 -1.13 -4.15 113.70 113.86 3g39 s SER 16 Ca 0.46 1.91 -0.04 0.00 0.48 0.00 0.00 55.95 58.76 3g39 s SER 16 Cb 0.37 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.91 3g39 s SER 16 CO 0.10 -0.19 0.48 0.61 0.98 0.00 0.00 173.24 175.22 3g39 n GLY 17 N 0.50 -0.18 0.21 7.32 0.00 -0.62 -4.91 105.19 107.52 3g39 n GLY 17 Ca 0.03 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.01 3g39 n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g39 n LYS 18 N -3.17 1.93 -2.44 1.61 4.76 -1.25 -4.98 118.16 114.61 3g39 n LYS 18 Ca -0.07 -2.40 -0.18 0.00 -2.87 0.00 0.00 58.31 52.79 3g39 n LYS 18 Cb 0.58 -1.45 -0.01 0.00 -1.84 0.00 0.00 35.03 32.31 3g39 n LYS 18 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3g39 n SER 19 N -1.03 -5.12 -4.76 4.39 7.64 -1.26 -4.92 113.62 108.55 3g39 n SER 19 Ca 0.14 0.06 -0.39 0.00 1.01 0.00 0.00 58.87 59.68 3g39 n SER 19 Cb 0.60 -4.29 -0.05 0.00 -1.01 0.00 0.00 64.21 59.46 3g39 n SER 19 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3g39 s LEU 20 N -5.90 4.48 0.00 -3.43 1.43 -1.26 -4.64 118.68 109.37 3g39 s LEU 20 Ca 0.01 2.09 0.22 0.00 -1.03 0.00 0.00 54.13 55.42 3g39 s LEU 20 Cb -0.01 -3.77 -0.15 0.00 0.03 0.00 0.00 46.19 42.29 3g39 s LEU 20 CO 0.01 -0.11 0.96 0.00 0.23 0.00 0.00 176.35 177.45 3g39 n ALA 21 N 0.98 4.36 -2.96 4.21 0.00 -1.26 -0.29 120.51 125.54 3g39 n ALA 21 Ca 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 53.44 52.71 3g39 n ALA 21 Cb 0.47 -0.78 -0.07 0.00 0.00 0.00 0.00 19.45 19.07 3g39 n ALA 21 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3g39 s SER 22 N -2.82 -0.13 0.04 0.00 1.04 -1.26 -4.28 113.70 106.29 3g39 s SER 22 Ca 0.12 -0.26 -0.30 0.00 0.48 0.00 0.00 55.95 55.99 3g39 s SER 22 Cb 0.17 0.39 -0.07 0.00 0.10 0.00 0.00 66.02 66.60 3g39 s SER 22 CO 0.77 -0.68 1.56 -0.69 0.98 0.00 0.00 173.24 175.17 3g39 s VAL 23 N -2.97 3.30 0.37 5.02 1.01 -1.26 -4.96 120.40 120.91 3g39 s VAL 23 Ca -0.02 0.72 -0.28 0.00 0.00 0.00 0.00 61.98 62.40 3g39 s VAL 23 Cb 0.01 -3.46 -0.11 0.00 0.00 0.00 0.00 36.38 32.81 3g39 s VAL 23 CO -0.06 -0.00 1.37 -2.65 0.00 0.00 0.00 175.10 173.75 3g39 n PRO 24 N 5.54 2.31 -1.86 2.72 -0.02 -1.26 -4.99 135.00 137.43 3g39 n PRO 24 Ca 0.15 0.81 -0.31 0.00 -2.02 0.00 0.00 63.50 62.13 3g39 n PRO 24 Cb 0.42 -2.48 0.01 0.00 -0.02 0.00 0.00 33.50 31.43 3g39 n PRO 24 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3g39 s THR 25 N -1.12 4.62 -0.28 3.45 -1.32 -1.26 -4.25 115.64 115.49 3g39 s THR 25 Ca 0.56 0.85 0.00 0.00 -1.21 0.00 0.00 61.69 61.89 3g39 s THR 25 Cb -0.52 -3.83 0.00 0.00 -1.51 0.00 0.00 72.50 66.64 3g39 s THR 25 CO 0.62 -1.11 0.00 0.61 -2.21 0.00 0.00 174.62 172.53 3g39 n GLY 26 N -2.73 0.28 3.71 6.08 0.00 -1.26 -4.74 105.19 106.53 3g39 n GLY 26 Ca 0.06 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 3g39 n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g39 s ILE 27 N -2.15 3.18 0.43 -0.61 1.01 -1.26 -4.49 121.20 117.31 3g39 s ILE 27 Ca 0.00 0.80 -0.26 0.00 0.00 0.00 0.00 60.65 61.20 3g39 s ILE 27 Cb 0.00 -3.52 -0.09 0.00 0.01 0.00 0.00 42.46 38.86 3g39 s ILE 27 CO 0.00 0.05 1.40 -2.65 0.00 0.00 0.00 174.94 173.73 3g39 n PRO 28 N 4.28 2.22 0.00 2.79 -0.02 -1.26 -4.89 135.00 138.12 3g39 n PRO 28 Ca 0.13 0.79 0.08 0.00 -2.02 0.00 0.00 63.50 62.47 3g39 n PRO 28 Cb 0.41 -2.57 0.37 0.00 -0.02 0.00 0.00 33.50 31.69 3g39 n PRO 28 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3g39 n THR 29 N -0.13 0.78 1.29 3.45 -2.24 -1.26 -1.92 114.28 114.25 3g39 n THR 29 Ca 0.05 0.20 0.14 0.00 -2.27 0.00 0.00 64.05 62.17 3g39 n THR 29 Cb 0.41 -0.92 0.62 0.00 -2.10 0.00 0.00 70.33 68.34 3g39 n THR 29 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3g39 n THR 30 N -1.43 0.00 -1.78 4.28 -2.24 -1.26 -4.38 114.28 107.47 3g39 n THR 30 Ca 0.05 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 3g39 n THR 30 Cb 0.17 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.11 3g39 n THR 30 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3g39 s THR 31 N -2.66 2.10 -0.15 4.28 2.01 -0.81 -4.81 115.64 115.60 3g39 s THR 31 Ca 0.24 0.08 -0.00 0.00 0.31 0.00 0.00 61.69 62.32 3g39 s THR 31 Cb 0.20 -3.05 -0.09 0.00 0.01 0.00 0.00 72.50 69.56 3g39 s THR 31 CO 0.50 0.01 -0.14 0.00 -0.69 0.00 0.00 174.62 174.30 3g39 n GLN 32 N 2.88 0.37 -4.06 4.92 6.02 0.54 -2.79 117.38 125.25 3g39 n GLN 32 Ca 0.11 0.10 -0.34 0.00 -0.01 0.00 0.00 57.00 56.86 3g39 n GLN 32 Cb 0.37 -1.26 -0.15 0.00 1.02 0.00 0.00 30.24 30.21 3g39 n GLN 32 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3g39 s VAL 33 N -2.30 2.45 -0.26 5.09 1.01 -1.07 0.57 120.40 125.90 3g39 s VAL 33 Ca -0.20 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 60.99 3g39 s VAL 33 Cb 0.06 -2.07 0.07 0.00 0.00 0.00 0.00 36.38 34.44 3g39 s VAL 33 CO 0.33 0.50 -0.06 -0.22 0.00 0.00 0.00 175.10 175.65 3g39 s LEU 34 N 1.35 3.23 -0.34 3.92 2.96 -0.54 -0.52 118.68 128.73 3g39 s LEU 34 Ca 0.05 -1.41 -0.17 0.00 -0.22 0.00 0.00 54.13 52.39 3g39 s LEU 34 Cb -0.13 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 3g39 s LEU 34 CO -0.10 -0.23 0.45 -0.31 -1.32 0.00 0.00 176.35 174.83 3g39 s TYR 35 N 1.20 3.20 -0.04 5.38 2.02 -0.30 -1.39 117.35 127.42 3g39 s TYR 35 Ca -0.05 0.11 0.06 0.00 -0.37 0.00 0.00 57.07 56.81 3g39 s TYR 35 Cb -0.19 -2.81 0.09 0.00 -0.40 0.00 0.00 41.96 38.64 3g39 s TYR 35 CO -0.06 -0.48 1.01 1.28 -1.57 0.00 0.00 175.55 175.72 3g39 n LEU 36 N 5.58 1.88 -4.78 -1.29 4.77 0.28 -0.00 117.00 123.44 3g39 n LEU 36 Ca -0.07 -2.14 -0.31 0.00 -0.03 0.00 0.00 56.01 53.46 3g39 n LEU 36 Cb 0.49 -0.13 0.08 0.00 -2.33 0.00 0.00 43.42 41.54 3g39 n LEU 36 CO 0.43 0.52 0.70 -0.72 -1.33 0.00 0.00 177.39 176.99 3g39 s TYR 37 N -1.45 2.72 -1.07 -1.77 -0.85 -1.00 -4.20 117.35 109.73 3g39 s TYR 37 Ca 0.10 1.49 -0.07 0.00 -0.52 0.00 0.00 57.07 58.06 3g39 s TYR 37 Cb 0.08 -3.01 -0.06 0.00 0.38 0.00 0.00 41.96 39.36 3g39 s TYR 37 CO 0.01 -1.67 0.91 -0.25 -1.52 0.00 0.00 175.55 173.02 3g39 n ASP 38 N -3.43 -6.23 -0.95 -0.18 10.43 -0.75 -1.59 116.55 113.86 3g39 n ASP 38 Ca 0.08 -0.74 0.00 0.00 2.57 0.00 0.00 54.79 56.70 3g39 n ASP 38 Cb 0.53 -5.00 0.00 0.00 1.84 0.00 0.00 41.12 38.49 3g39 n ASP 38 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3g39 n ASN 39 N -3.16 0.35 -1.72 -2.24 5.03 -0.65 -1.66 115.26 111.22 3g39 n ASN 39 Ca -0.09 -0.80 -0.17 0.00 0.87 0.00 0.00 54.58 54.39 3g39 n ASN 39 Cb 0.62 0.00 0.06 0.00 -1.02 0.00 0.00 39.78 39.44 3g39 n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3g39 n GLN 40 N 0.00 3.11 -2.76 3.52 10.64 0.60 -4.21 117.38 128.28 3g39 n GLN 40 Ca 0.00 -3.95 -0.42 0.00 -1.83 0.00 0.00 57.00 50.80 3g39 n GLN 40 Cb 0.00 -2.10 -0.03 0.00 -0.86 0.00 0.00 30.24 27.24 3g39 n GLN 40 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3g39 s ILE 41 N -4.25 4.84 -0.21 -0.39 1.01 -1.18 -4.47 121.20 116.55 3g39 s ILE 41 Ca 0.47 1.93 0.03 0.00 0.00 0.00 0.00 60.65 63.08 3g39 s ILE 41 Cb 0.40 -4.26 -0.14 0.00 0.01 0.00 0.00 42.46 38.46 3g39 s ILE 41 CO 0.01 0.07 -0.17 0.41 0.00 0.00 0.00 174.94 175.26 3g39 n THR 42 N 4.34 1.22 -4.33 2.92 -1.04 -1.26 -0.40 114.28 115.73 3g39 n THR 42 Ca 0.06 -0.49 -0.19 0.00 -2.04 0.00 0.00 64.05 61.40 3g39 n THR 42 Cb 0.50 -1.20 -0.14 0.00 -1.82 0.00 0.00 70.33 67.67 3g39 n THR 42 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3g39 s LYS 43 N -2.43 0.83 -0.03 -2.82 1.02 -1.26 -1.56 119.74 113.49 3g39 s LYS 43 Ca -0.27 -0.61 -0.01 0.00 0.02 0.00 0.00 55.97 55.10 3g39 s LYS 43 Cb 0.07 -0.79 -0.04 0.00 -0.52 0.00 0.00 37.83 36.55 3g39 s LYS 43 CO 0.51 0.20 0.04 -0.51 -0.92 0.00 0.00 175.35 174.67 3g39 s LEU 44 N -0.88 3.75 0.21 3.17 1.43 -1.26 -4.74 118.68 120.36 3g39 s LEU 44 Ca 0.01 0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.93 3g39 s LEU 44 Cb -0.07 -2.08 -0.10 0.00 0.03 0.00 0.00 46.19 43.97 3g39 s LEU 44 CO 0.01 0.31 1.45 -1.61 0.23 0.00 0.00 176.35 176.73 3g39 s GLU 45 N -1.44 4.28 0.25 1.70 0.41 -1.26 -4.82 118.70 117.81 3g39 s GLU 45 Ca 0.19 2.26 -0.31 0.00 -0.41 0.00 0.00 54.97 56.70 3g39 s GLU 45 Cb -0.12 -3.15 -0.14 0.00 -1.78 0.00 0.00 34.13 28.95 3g39 s GLU 45 CO 0.10 -0.44 1.33 -2.30 -0.49 0.00 0.00 175.26 173.45 3g39 n PRO 46 N 2.93 1.88 -0.96 0.39 -0.02 -1.26 -1.69 135.00 136.27 3g39 n PRO 46 Ca 0.09 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3g39 n PRO 46 Cb 0.40 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3g39 n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g39 n GLY 47 N 1.89 0.75 0.37 -1.23 0.00 -1.26 -4.91 105.19 100.80 3g39 n GLY 47 Ca 0.11 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.28 3g39 n GLY 47 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3g39 h VAL 48 N 0.00 0.82 -0.43 1.61 3.04 -1.67 -1.19 116.25 118.43 3g39 h VAL 48 Ca 0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 3g39 h VAL 48 Cb 0.00 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 29.76 3g39 h VAL 48 CO 0.00 0.06 0.00 0.49 -1.01 0.00 0.00 177.57 177.11 3g39 n PHE 49 N -4.45 0.57 0.27 3.17 3.72 -1.26 -4.68 117.46 114.80 3g39 n PHE 49 Ca 0.11 -0.43 0.12 0.00 -0.05 0.00 0.00 57.45 57.20 3g39 n PHE 49 Cb 0.49 -0.01 0.75 0.00 -0.94 0.00 0.00 39.48 39.76 3g39 n PHE 49 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3g39 h ASP 50 N 2.92 0.00 0.22 4.37 3.32 -1.48 -1.06 116.42 124.72 3g39 h ASP 50 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g39 h ASP 50 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3g39 h ASP 50 CO 0.00 0.09 -0.44 0.54 -1.72 0.00 0.00 179.24 177.71 3g39 n ARG 51 N -3.85 0.63 -1.91 3.56 1.74 -1.26 -4.54 116.66 111.02 3g39 n ARG 51 Ca -0.02 -0.43 -0.40 0.00 -0.77 0.00 0.00 57.85 56.23 3g39 n ARG 51 Cb 0.18 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.12 3g39 n ARG 51 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3g39 n LEU 52 N -0.81 8.13 0.11 0.55 4.77 -0.40 -4.70 117.00 124.65 3g39 n LEU 52 Ca 0.09 -4.83 0.12 0.00 -0.03 0.00 0.00 56.01 51.36 3g39 n LEU 52 Cb 0.37 -1.39 0.46 0.00 -2.33 0.00 0.00 43.42 40.53 3g39 n LEU 52 CO 0.30 2.06 0.85 0.35 -1.33 0.00 0.00 177.39 179.62 3g39 n THR 53 N 1.96 0.79 1.30 -5.08 -2.24 -1.26 -2.12 114.28 107.62 3g39 n THR 53 Ca 0.64 0.14 0.13 0.00 -2.27 0.00 0.00 64.05 62.70 3g39 n THR 53 Cb 0.25 -1.03 0.37 0.00 -2.10 0.00 0.00 70.33 67.81 3g39 n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g39 n GLN 54 N -2.13 1.47 -1.69 -0.78 1.13 -1.26 -4.36 117.38 109.76 3g39 n GLN 54 Ca 0.03 -0.97 -0.44 0.00 -1.94 0.00 0.00 57.00 53.68 3g39 n GLN 54 Cb 0.26 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.09 3g39 n GLN 54 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3g39 n LEU 55 N 0.09 3.48 -0.06 1.08 7.94 -0.90 -4.42 117.00 124.20 3g39 n LEU 55 Ca 0.15 1.09 -0.07 0.00 -1.11 0.00 0.00 56.01 56.08 3g39 n LEU 55 Cb 0.40 -1.49 -0.09 0.00 0.53 0.00 0.00 43.42 42.77 3g39 n LEU 55 CO 0.20 -0.14 -0.92 0.35 -1.11 0.00 0.00 177.39 175.77 3g39 n THR 56 N 3.17 0.85 -4.09 1.96 -2.24 0.19 -2.18 114.28 111.94 3g39 n THR 56 Ca 0.15 -0.49 -0.16 0.00 -2.27 0.00 0.00 64.05 61.28 3g39 n THR 56 Cb 0.32 -0.74 -0.15 0.00 -2.10 0.00 0.00 70.33 67.66 3g39 n THR 56 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3g39 s ARG 57 N -2.30 0.42 -0.14 -0.78 3.52 -0.60 -0.55 118.95 118.52 3g39 s ARG 57 Ca -0.09 -0.10 -0.02 0.00 -0.13 0.00 0.00 55.73 55.39 3g39 s ARG 57 Cb 0.04 -0.45 0.04 0.00 -1.56 0.00 0.00 34.95 33.02 3g39 s ARG 57 CO 0.47 0.02 0.01 -1.17 -0.81 0.00 0.00 175.30 173.83 3g39 s LEU 58 N 0.28 0.94 -0.40 -0.88 2.96 -0.45 -1.46 118.68 119.67 3g39 s LEU 58 Ca -0.03 -0.47 -0.09 0.00 -0.22 0.00 0.00 54.13 53.33 3g39 s LEU 58 Cb -0.06 -0.56 0.06 0.00 0.50 0.00 0.00 46.19 46.13 3g39 s LEU 58 CO -0.00 -0.24 0.23 -1.81 -1.32 0.00 0.00 176.35 173.20 3g39 s ASP 59 N 1.89 5.61 0.00 3.68 1.11 -0.49 -1.40 116.67 127.07 3g39 s ASP 59 Ca 0.02 -1.36 0.11 0.00 0.18 0.00 0.00 52.55 51.51 3g39 s ASP 59 Cb -0.15 -1.98 0.26 0.00 1.07 0.00 0.00 42.92 42.12 3g39 s ASP 59 CO -0.07 -0.48 1.15 0.18 1.18 0.00 0.00 175.17 177.14 3g39 n LEU 60 N 4.92 2.68 -4.72 1.23 4.77 -0.02 -0.55 117.00 125.31 3g39 n LEU 60 Ca -0.11 -1.72 -0.33 0.00 -0.03 0.00 0.00 56.01 53.83 3g39 n LEU 60 Cb 0.44 -0.17 0.11 0.00 -2.33 0.00 0.00 43.42 41.47 3g39 n LEU 60 CO 0.37 0.64 0.74 1.51 -1.33 0.00 0.00 177.39 179.32 3g39 s ASP 61 N -0.99 3.91 -1.13 -1.43 -4.77 -1.09 -4.03 116.67 107.14 3g39 s ASP 61 Ca 0.21 2.18 -0.05 0.00 -3.30 0.00 0.00 52.55 51.60 3g39 s ASP 61 Cb 0.12 -2.57 -0.04 0.00 -1.09 0.00 0.00 42.92 39.34 3g39 s ASP 61 CO 0.16 -2.44 0.91 0.59 0.70 0.00 0.00 175.17 175.09 3g39 n ASN 62 N -3.32 -4.53 -0.24 2.11 4.13 -0.64 -2.04 115.26 110.73 3g39 n ASN 62 Ca 0.12 -0.72 0.00 0.00 1.68 0.00 0.00 54.58 55.66 3g39 n ASN 62 Cb 0.51 -4.93 0.00 0.00 -1.54 0.00 0.00 39.78 33.82 3g39 n ASN 62 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3g39 n ASN 63 N -3.14 1.10 -0.77 6.41 4.13 -0.92 -1.63 115.26 120.45 3g39 n ASN 63 Ca -0.17 -0.15 0.04 0.00 1.68 0.00 0.00 54.58 55.98 3g39 n ASN 63 Cb 0.64 0.00 0.18 0.00 -1.54 0.00 0.00 39.78 39.06 3g39 n ASN 63 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3g39 n GLN 64 N 0.00 1.57 -1.80 3.52 1.13 0.47 -4.32 117.38 117.94 3g39 n GLN 64 Ca 0.00 -3.25 -0.42 0.00 -1.94 0.00 0.00 57.00 51.39 3g39 n GLN 64 Cb 0.00 -1.52 -0.03 0.00 0.11 0.00 0.00 30.24 28.80 3g39 n GLN 64 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3g39 s LEU 65 N -2.99 4.38 -0.05 1.08 1.43 -0.85 -4.28 118.68 117.39 3g39 s LEU 65 Ca 0.38 2.68 0.20 0.00 -1.03 0.00 0.00 54.13 56.37 3g39 s LEU 65 Cb 0.37 -3.57 -0.28 0.00 0.03 0.00 0.00 46.19 42.74 3g39 s LEU 65 CO -0.07 -0.95 0.43 0.41 0.23 0.00 0.00 176.35 176.40 3g39 n THR 66 N 4.55 0.53 -3.49 5.49 -1.04 -0.60 -0.95 114.28 118.76 3g39 n THR 66 Ca 0.16 -0.62 -0.16 0.00 -2.04 0.00 0.00 64.05 61.40 3g39 n THR 66 Cb 0.38 -0.21 -0.05 0.00 -1.82 0.00 0.00 70.33 68.63 3g39 n THR 66 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3g39 s VAL 67 N -3.17 0.00 0.03 12.58 0.11 -1.26 -4.20 120.40 124.49 3g39 s VAL 67 Ca -0.08 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.99 3g39 s VAL 67 Cb 0.11 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 3g39 s VAL 67 CO 0.87 0.00 0.03 -0.76 -3.33 0.00 0.00 175.10 171.91 3g39 s LEU 68 N -1.65 3.63 0.46 2.54 1.43 -1.26 -4.67 118.68 119.15 3g39 s LEU 68 Ca -0.07 -0.01 -0.24 0.00 -1.03 0.00 0.00 54.13 52.78 3g39 s LEU 68 Cb -0.00 -2.19 -0.07 0.00 0.03 0.00 0.00 46.19 43.96 3g39 s LEU 68 CO 0.03 0.24 1.26 -2.84 0.23 0.00 0.00 176.35 175.26 3g39 s PRO 69 N -1.90 3.72 0.50 1.29 0.02 -1.26 -4.75 135.00 132.62 3g39 s PRO 69 Ca 0.23 2.01 -0.23 0.00 0.02 0.00 0.00 61.00 63.04 3g39 s PRO 69 Cb -0.12 -2.51 -0.06 0.00 0.02 0.00 0.00 34.50 31.83 3g39 s PRO 69 CO 0.15 -0.66 1.34 0.00 -0.33 0.00 0.00 177.00 177.50 3g39 s ALA 70 N -1.38 2.96 0.00 -1.55 0.00 -1.26 -2.52 121.76 118.01 3g39 s ALA 70 Ca 0.63 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.88 3g39 s ALA 70 Cb -0.35 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.23 3g39 s ALA 70 CO 0.43 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.40 3g39 n GLY 71 N 0.65 0.59 0.30 0.00 0.00 -1.26 -4.88 105.19 100.59 3g39 n GLY 71 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.24 3g39 n GLY 71 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3g39 h VAL 72 N 0.00 0.64 -0.49 1.61 3.04 -1.82 -1.17 116.25 118.07 3g39 h VAL 72 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3g39 h VAL 72 Cb 0.10 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 3g39 h VAL 72 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.05 3g39 n PHE 73 N -4.04 0.91 0.27 3.17 3.72 -1.26 -4.53 117.46 115.69 3g39 n PHE 73 Ca -0.01 -0.59 0.14 0.00 -0.05 0.00 0.00 57.45 56.94 3g39 n PHE 73 Cb 0.18 -0.12 0.73 0.00 -0.94 0.00 0.00 39.48 39.33 3g39 n PHE 73 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3g39 h ASP 74 N 2.96 0.00 -0.06 4.37 3.32 -1.46 -1.69 116.42 123.86 3g39 h ASP 74 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g39 h ASP 74 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3g39 h ASP 74 CO 0.10 0.11 0.00 0.29 -1.72 0.00 0.00 179.24 178.01 3g39 n LYS 75 N -3.48 2.09 -2.16 3.56 4.76 -1.26 -4.71 118.16 116.95 3g39 n LYS 75 Ca -0.01 -1.59 -0.41 0.00 -2.87 0.00 0.00 58.31 53.44 3g39 n LYS 75 Cb 0.26 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 3g39 n LYS 75 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3g39 n LEU 76 N 0.91 7.72 0.07 -0.35 4.77 -0.64 -4.62 117.00 124.85 3g39 n LEU 76 Ca 0.16 -4.94 0.10 0.00 -0.03 0.00 0.00 56.01 51.31 3g39 n LEU 76 Cb 0.50 -1.35 0.43 0.00 -2.33 0.00 0.00 43.42 40.68 3g39 n LEU 76 CO 0.15 1.96 0.83 0.35 -1.33 0.00 0.00 177.39 179.35 3g39 n THR 77 N 1.68 0.77 0.78 -5.08 -2.24 -1.26 -1.71 114.28 107.22 3g39 n THR 77 Ca 0.56 0.15 0.12 0.00 -2.27 0.00 0.00 64.05 62.61 3g39 n THR 77 Cb 0.27 -0.96 0.13 0.00 -2.10 0.00 0.00 70.33 67.66 3g39 n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g39 n GLN 78 N -1.89 2.29 -1.95 -0.78 1.13 -1.26 -3.69 117.38 111.23 3g39 n GLN 78 Ca 0.04 -1.99 -0.42 0.00 -1.94 0.00 0.00 57.00 52.69 3g39 n GLN 78 Cb 0.24 -1.46 -0.03 0.00 0.11 0.00 0.00 30.24 29.10 3g39 n GLN 78 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3g39 s LEU 79 N -1.80 4.37 -0.12 1.08 2.96 -0.69 -4.40 118.68 120.06 3g39 s LEU 79 Ca 0.30 2.51 0.12 0.00 -0.22 0.00 0.00 54.13 56.84 3g39 s LEU 79 Cb 0.20 -3.57 -0.16 0.00 0.50 0.00 0.00 46.19 43.16 3g39 s LEU 79 CO 0.30 -0.85 0.05 0.35 -1.32 0.00 0.00 176.35 174.88 3g39 n THR 80 N 4.44 0.86 -4.05 3.68 -2.24 0.28 -2.27 114.28 114.99 3g39 n THR 80 Ca 0.15 -0.54 -0.22 0.00 -2.27 0.00 0.00 64.05 61.17 3g39 n THR 80 Cb 0.40 -0.63 -0.17 0.00 -2.10 0.00 0.00 70.33 67.83 3g39 n THR 80 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3g39 s GLN 81 N -2.33 0.86 -0.07 -0.78 1.11 -0.77 -0.42 119.66 117.26 3g39 s GLN 81 Ca -0.06 -0.07 -0.01 0.00 0.01 0.00 0.00 55.36 55.23 3g39 s GLN 81 Cb 0.04 -0.96 0.03 0.00 -1.01 0.00 0.00 33.01 31.10 3g39 s GLN 81 CO 0.53 -0.15 -0.02 -1.17 0.01 0.00 0.00 175.29 174.49 3g39 s LEU 82 N 1.26 0.86 -0.20 2.90 2.96 -0.40 -1.35 118.68 124.72 3g39 s LEU 82 Ca -0.05 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.71 3g39 s LEU 82 Cb -0.14 -0.47 -0.01 0.00 0.50 0.00 0.00 46.19 46.07 3g39 s LEU 82 CO -0.02 -0.15 -0.05 -0.44 -1.32 0.00 0.00 176.35 174.37 3g39 s SER 83 N 1.63 4.30 0.00 3.68 0.01 -0.49 -1.82 113.70 121.01 3g39 s SER 83 Ca 0.00 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.90 3g39 s SER 83 Cb -0.13 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.38 3g39 s SER 83 CO -0.04 0.02 0.57 0.18 0.41 0.00 0.00 173.24 174.38 3g39 n LEU 84 N 4.53 1.10 -4.69 2.44 4.77 0.08 -0.84 117.00 124.39 3g39 n LEU 84 Ca -0.18 -1.10 -0.31 0.00 -0.03 0.00 0.00 56.01 54.38 3g39 n LEU 84 Cb 0.51 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.75 3g39 n LEU 84 CO 0.29 0.28 0.70 0.54 -1.33 0.00 0.00 177.39 177.87 3g39 s ASN 85 N -0.22 3.20 -1.06 -1.43 4.22 -1.00 -4.09 114.94 114.55 3g39 s ASN 85 Ca 0.00 2.19 -0.00 0.00 -2.14 0.00 0.00 52.86 52.90 3g39 s ASN 85 Cb 0.00 -2.57 -0.00 0.00 1.28 0.00 0.00 41.25 39.96 3g39 s ASN 85 CO 0.00 -2.92 0.89 0.47 -2.04 0.00 0.00 177.10 173.50 3g39 n ASP 86 N -3.99 -2.34 -0.93 3.54 8.00 -0.78 -1.62 116.55 118.43 3g39 n ASP 86 Ca 0.12 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 55.06 3g39 n ASP 86 Cb 0.52 -4.64 0.00 0.00 -0.02 0.00 0.00 41.12 36.98 3g39 n ASP 86 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3g39 n ASN 87 N -2.91 0.88 -1.03 -2.24 4.13 -1.14 -1.63 115.26 111.32 3g39 n ASN 87 Ca -0.24 -0.65 -0.03 0.00 1.68 0.00 0.00 54.58 55.34 3g39 n ASN 87 Cb 0.65 0.00 0.17 0.00 -1.54 0.00 0.00 39.78 39.06 3g39 n ASN 87 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3g39 n GLN 88 N 0.00 2.02 -2.48 3.52 1.13 -0.12 -4.47 117.38 116.98 3g39 n GLN 88 Ca 0.00 -3.43 -0.41 0.00 -1.94 0.00 0.00 57.00 51.22 3g39 n GLN 88 Cb 0.00 -1.80 -0.04 0.00 0.11 0.00 0.00 30.24 28.51 3g39 n GLN 88 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3g39 s LEU 89 N -3.32 4.51 -0.06 1.08 1.43 -0.96 -4.44 118.68 116.92 3g39 s LEU 89 Ca 0.43 2.17 0.19 0.00 -1.03 0.00 0.00 54.13 55.88 3g39 s LEU 89 Cb 0.39 -3.61 -0.28 0.00 0.03 0.00 0.00 46.19 42.72 3g39 s LEU 89 CO -0.03 -0.22 0.34 0.29 0.23 0.00 0.00 176.35 176.96 3g39 n LYS 90 N 2.00 0.70 -3.83 1.70 5.02 -1.26 -2.89 118.16 119.60 3g39 n LYS 90 Ca 0.02 -0.14 -0.07 0.00 -2.02 0.00 0.00 58.31 56.10 3g39 n LYS 90 Cb 0.45 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 3g39 n LYS 90 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3g39 s SER 91 N -4.47 -0.11 -0.08 4.39 0.15 -1.26 -0.91 113.70 111.41 3g39 s SER 91 Ca -0.08 -0.86 0.04 0.00 0.70 0.00 0.00 55.95 55.76 3g39 s SER 91 Cb 0.11 0.75 -0.00 0.00 -1.71 0.00 0.00 66.02 65.17 3g39 s SER 91 CO 0.79 -1.45 -0.22 -0.63 1.20 0.00 0.00 173.24 172.92 3g39 s ILE 92 N -2.96 1.91 0.37 6.45 -1.09 -1.26 -4.76 121.20 119.86 3g39 s ILE 92 Ca 0.14 -0.95 -0.27 0.00 -2.23 0.00 0.00 60.65 57.35 3g39 s ILE 92 Cb -0.05 -1.64 -0.12 0.00 -1.58 0.00 0.00 42.46 39.07 3g39 s ILE 92 CO 0.09 0.53 1.18 -2.65 -1.23 0.00 0.00 174.94 172.86 3g39 n PRO 93 N 3.38 1.79 -1.65 2.79 -0.02 -1.26 -4.66 135.00 135.38 3g39 n PRO 93 Ca -0.19 0.63 -0.50 0.00 -2.02 0.00 0.00 63.50 61.42 3g39 n PRO 93 Cb 0.53 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 3g39 n PRO 93 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3g39 n ARG 94 N 0.38 1.60 -0.95 -0.52 1.74 -1.26 -1.18 116.66 116.46 3g39 n ARG 94 Ca 0.07 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 3g39 n ARG 94 Cb 0.37 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.51 3g39 n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g39 n GLY 95 N 3.30 0.80 0.37 -0.13 0.00 -1.26 -4.85 105.19 103.41 3g39 n GLY 95 Ca 0.20 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.40 3g39 n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g39 h ALA 96 N 0.00 2.41 -0.30 4.61 0.00 -1.49 -1.24 119.26 123.24 3g39 h ALA 96 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3g39 h ALA 96 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3g39 h ALA 96 CO 0.00 -0.54 0.00 1.19 0.00 0.00 0.00 179.25 179.90 3g39 n PHE 97 N -4.41 0.39 0.21 0.00 3.72 -1.26 -4.46 117.46 111.65 3g39 n PHE 97 Ca 0.09 -0.23 0.05 0.00 -0.05 0.00 0.00 57.45 57.30 3g39 n PHE 97 Cb 0.53 -0.00 0.48 0.00 -0.94 0.00 0.00 39.48 39.55 3g39 n PHE 97 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3g39 h ASP 98 N 3.77 0.02 -0.25 4.37 3.32 -1.63 -1.58 116.42 124.45 3g39 h ASP 98 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g39 h ASP 98 Cb 0.87 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3g39 h ASP 98 CO 0.00 0.22 0.00 0.59 -1.72 0.00 0.00 179.24 178.33 3g39 n ASN 99 N -4.30 2.43 -3.53 6.45 3.02 -1.26 -4.72 115.26 113.34 3g39 n ASN 99 Ca -0.02 -1.84 -0.41 0.00 -0.03 0.00 0.00 54.58 52.28 3g39 n ASN 99 Cb 0.26 -0.16 -0.01 0.00 -0.61 0.00 0.00 39.78 39.25 3g39 n ASN 99 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3g39 n LEU 100 N 0.83 7.83 0.07 3.41 4.77 -0.60 -4.47 117.00 128.84 3g39 n LEU 100 Ca 0.17 -4.41 0.10 0.00 -0.03 0.00 0.00 56.01 51.85 3g39 n LEU 100 Cb 0.45 -1.55 0.42 0.00 -2.33 0.00 0.00 43.42 40.41 3g39 n LEU 100 CO 0.14 1.69 0.81 2.29 -1.33 0.00 0.00 177.39 180.99 3g39 n LYS 101 N 4.14 0.12 -0.08 3.23 2.85 -1.26 -2.12 118.16 125.04 3g39 n LYS 101 Ca 0.63 0.33 0.10 0.00 -1.05 0.00 0.00 58.31 58.32 3g39 n LYS 101 Cb 0.30 -1.71 0.13 0.00 -0.65 0.00 0.00 35.03 33.09 3g39 n LYS 101 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3g39 n SER 102 N -1.93 2.90 -4.72 -5.58 7.64 -1.24 -5.02 113.62 105.67 3g39 n SER 102 Ca 0.03 -1.87 -0.42 0.00 1.01 0.00 0.00 58.87 57.62 3g39 n SER 102 Cb 0.22 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.29 3g39 n SER 102 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3g39 s LEU 103 N -1.50 4.37 0.00 -3.43 2.96 -0.90 -4.19 118.68 115.99 3g39 s LEU 103 Ca 0.28 2.65 0.00 0.00 -0.22 0.00 0.00 54.13 56.83 3g39 s LEU 103 Cb 0.18 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.28 3g39 s LEU 103 CO 0.26 -0.85 0.00 0.35 -1.32 0.00 0.00 176.35 174.79 3g39 n THR 104 N 4.02 0.00 -3.74 3.68 -2.24 0.44 -5.00 114.28 111.43 3g39 n THR 104 Ca 0.14 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.78 3g39 n THR 104 Cb 0.38 0.09 -0.15 0.00 -2.10 0.00 0.00 70.33 68.55 3g39 n THR 104 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3g39 s HIS 105 N -1.87 -0.11 0.01 4.78 3.76 -0.38 -4.57 115.29 116.91 3g39 s HIS 105 Ca 0.00 0.40 0.03 0.00 -0.15 0.00 0.00 55.06 55.34 3g39 s HIS 105 Cb 0.00 -0.16 -0.01 0.00 1.11 0.00 0.00 32.58 33.52 3g39 s HIS 105 CO 0.00 -0.16 -0.09 -1.50 -0.85 0.00 0.00 174.74 172.13 3g39 s ILE 106 N 1.34 0.73 -0.14 0.60 2.07 0.11 -1.27 121.20 124.64 3g39 s ILE 106 Ca -0.07 -0.53 0.01 0.00 -1.41 0.00 0.00 60.65 58.64 3g39 s ILE 106 Cb -0.12 -0.64 -0.01 0.00 0.13 0.00 0.00 42.46 41.83 3g39 s ILE 106 CO -0.05 0.10 -0.16 0.26 -1.91 0.00 0.00 174.94 173.18 3g39 s TRP 107 N -0.42 2.76 0.00 3.50 0.51 -0.76 -1.23 118.94 123.31 3g39 s TRP 107 Ca 0.02 -0.93 0.00 0.00 -2.12 0.00 0.00 56.10 53.07 3g39 s TRP 107 Cb -0.05 -1.85 0.00 0.00 -0.81 0.00 0.00 33.47 30.76 3g39 s TRP 107 CO -0.00 -0.39 0.00 1.28 -0.51 0.00 0.00 176.95 177.33 3g39 n LEU 108 N 3.83 0.01 -4.70 2.99 4.77 -1.26 -0.74 117.00 121.90 3g39 n LEU 108 Ca -0.19 -0.32 -0.30 0.00 -0.03 0.00 0.00 56.01 55.17 3g39 n LEU 108 Cb 0.52 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.75 3g39 n LEU 108 CO 0.29 0.00 0.67 -1.48 -1.33 0.00 0.00 177.39 175.54 3g39 s LEU 109 N -1.24 2.51 -1.29 2.23 2.34 -1.26 -3.94 118.68 118.03 3g39 s LEU 109 Ca 0.00 1.78 -0.04 0.00 0.06 0.00 0.00 54.13 55.93 3g39 s LEU 109 Cb 0.00 -4.22 0.01 0.00 -0.56 0.00 0.00 46.19 41.42 3g39 s LEU 109 CO 0.00 -2.72 1.04 -3.20 -1.06 0.00 0.00 176.35 170.40 3g39 n ASN 110 N -3.96 -3.67 -4.26 1.48 4.05 -1.26 -1.87 115.26 105.76 3g39 n ASN 110 Ca 0.08 -0.62 -0.24 0.00 0.45 0.00 0.00 54.58 54.25 3g39 n ASN 110 Cb 0.54 -4.91 -0.13 0.00 1.23 0.00 0.00 39.78 36.51 3g39 n ASN 110 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 3g39 s ASN 111 N -3.92 2.43 -1.52 1.20 -0.87 -1.25 -1.98 114.94 109.02 3g39 s ASN 111 Ca 0.25 -0.61 -0.11 0.00 -1.57 0.00 0.00 52.86 50.82 3g39 s ASN 111 Cb -0.11 -0.16 -0.01 0.00 -0.02 0.00 0.00 41.25 40.95 3g39 s ASN 111 CO 0.75 0.09 2.58 -0.81 -2.57 0.00 0.00 177.10 177.13 3g39 n PRO 112 N 1.40 3.46 -1.69 -0.60 -0.04 -1.14 -4.73 135.00 131.66 3g39 n PRO 112 Ca -0.19 -2.54 -0.44 0.00 -0.04 0.00 0.00 63.50 60.29 3g39 n PRO 112 Cb 0.54 -2.97 -0.03 0.00 -0.04 0.00 0.00 33.50 30.99 3g39 n PRO 112 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3g39 n TRP 113 N 4.36 2.42 -3.32 0.54 7.02 -1.23 -4.36 117.44 122.87 3g39 n TRP 113 Ca 0.65 0.30 -0.47 0.00 -1.02 0.00 0.00 57.50 56.97 3g39 n TRP 113 Cb 0.30 -2.54 -0.03 0.00 -2.42 0.00 0.00 31.31 26.62 3g39 n TRP 113 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3g39 s ASP 114 N 0.60 6.61 0.00 -0.99 -1.08 -0.09 -0.64 116.67 121.09 3g39 s ASP 114 Ca 0.71 -2.45 0.26 0.00 -0.52 0.00 0.00 52.55 50.55 3g39 s ASP 114 Cb -0.61 -2.21 1.10 0.00 -1.46 0.00 0.00 42.92 39.75 3g39 s ASP 114 CO 0.44 -0.65 1.82 0.00 0.52 0.00 0.00 175.17 177.30 3g39 h ALA 116 N 2.90 0.75 -2.79 0.00 0.00 -1.89 -3.41 119.26 114.83 3g39 h ALA 116 Ca 0.00 -0.44 -0.57 0.00 0.00 0.00 0.00 54.91 53.90 3g39 h ALA 116 Cb 0.43 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3g39 h ALA 116 CO 0.00 0.60 -0.06 0.00 0.00 0.00 0.00 179.25 179.79 3g39 n SER 118 N 3.07 0.49 0.29 0.00 3.41 -0.77 -1.47 113.62 118.63 3g39 n SER 118 Ca -0.07 0.71 0.19 0.00 -0.26 0.00 0.00 58.87 59.43 3g39 n SER 118 Cb 0.51 -0.78 1.00 0.00 -0.26 0.00 0.00 64.21 64.68 3g39 n SER 118 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3g39 h ASP 119 N 0.00 0.00 1.28 4.04 3.32 -1.89 -1.47 116.42 121.69 3g39 h ASP 119 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g39 h ASP 119 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3g39 h ASP 119 CO 0.00 0.00 0.00 -0.29 -1.72 0.00 0.00 179.24 177.23 3g39 h ILE 120 N 0.00 0.00 -0.62 0.35 6.09 -1.47 -3.35 117.51 118.51 3g39 h ILE 120 Ca 0.00 -0.47 -0.01 0.00 -1.37 0.00 0.00 64.86 63.01 3g39 h ILE 120 Cb 0.08 1.39 -0.03 0.00 0.47 0.00 0.00 36.82 38.73 3g39 h ILE 120 CO 0.00 0.00 0.35 -0.07 -3.07 0.00 0.00 178.15 175.36 3g39 h LEU 121 N 0.00 0.75 0.06 2.19 3.38 -1.48 -0.09 115.31 120.11 3g39 h LEU 121 Ca 0.00 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3g39 h LEU 121 Cb 0.64 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3g39 h LEU 121 CO 0.00 0.59 -0.25 0.22 0.09 0.00 0.00 178.44 179.10 3g39 h TYR 122 N 0.85 -0.66 -0.42 1.13 3.20 -1.80 -0.20 116.97 119.08 3g39 h TYR 122 Ca 0.22 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 3g39 h TYR 122 Cb 0.00 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 3g39 h TYR 122 CO 0.00 -0.34 0.11 1.25 -1.64 0.00 0.00 178.16 177.54 3g39 h LEU 123 N -0.42 0.63 -0.29 2.82 5.85 -1.62 0.11 115.31 122.38 3g39 h LEU 123 Ca 0.04 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.57 3g39 h LEU 123 Cb 0.47 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3g39 h LEU 123 CO -0.18 0.69 0.07 -1.28 -0.34 0.00 0.00 178.44 177.41 3g39 h SER 124 N 0.54 0.05 -0.67 1.25 0.87 -0.89 0.20 113.55 114.90 3g39 h SER 124 Ca 0.13 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.68 3g39 h SER 124 Cb 0.30 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 3g39 h SER 124 CO 0.00 0.06 0.20 0.03 -0.53 0.00 0.00 176.83 176.60 3g39 h ARG 125 N 0.19 1.04 -0.30 2.24 3.08 -0.87 -1.45 114.38 118.30 3g39 h ARG 125 Ca 0.13 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3g39 h ARG 125 Cb 0.13 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3g39 h ARG 125 CO -0.16 0.90 0.15 2.35 -1.07 0.00 0.00 179.97 182.15 3g39 h TRP 126 N 0.97 0.42 -0.82 3.04 7.01 -0.29 -2.06 115.95 124.22 3g39 h TRP 126 Ca 0.21 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.18 3g39 h TRP 126 Cb 0.30 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.19 3g39 h TRP 126 CO 0.02 0.36 0.45 0.82 -2.79 0.00 0.00 178.44 177.30 3g39 h ILE 127 N 0.35 1.24 -0.09 2.65 2.04 -0.86 -1.31 117.51 121.54 3g39 h ILE 127 Ca 0.10 -0.60 0.03 0.00 1.00 0.00 0.00 64.86 65.39 3g39 h ILE 127 Cb 0.09 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 3g39 h ILE 127 CO -0.01 0.27 0.07 0.28 0.00 0.00 0.00 178.15 178.75 3g39 h SER 128 N 1.14 0.00 0.32 1.72 0.02 -0.85 -2.03 113.55 113.88 3g39 h SER 128 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3g39 h SER 128 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3g39 h SER 128 CO -0.05 0.00 -0.73 0.00 -1.14 0.00 0.00 176.83 174.91 3g39 n GLN 129 N -4.41 0.04 -2.65 3.45 1.13 -0.57 -4.49 117.38 109.88 3g39 n GLN 129 Ca -0.01 -0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.95 3g39 n GLN 129 Cb 0.18 -1.51 0.03 0.00 0.11 0.00 0.00 30.24 29.05 3g39 n GLN 129 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3g39 n HIS 130 N -1.56 1.49 0.24 1.08 8.25 -0.75 -4.90 115.22 119.07 3g39 n HIS 130 Ca 0.05 -2.71 0.08 0.00 -0.26 0.00 0.00 57.72 54.88 3g39 n HIS 130 Cb 0.35 -0.32 0.61 0.00 1.12 0.00 0.00 29.99 31.75 3g39 n HIS 130 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3g39 h PRO 131 N 2.86 0.00 0.00 -0.41 0.13 -1.71 -1.25 132.00 131.62 3g39 h PRO 131 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3g39 h PRO 131 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3g39 h PRO 131 CO 0.50 0.13 0.00 0.41 -0.23 0.00 0.00 178.00 178.81 3g39 n GLY 132 N -1.01 -0.91 0.09 1.56 0.00 -1.26 -2.54 105.19 101.12 3g39 n GLY 132 Ca -0.02 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 45.96 3g39 n GLY 132 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g39 n LEU 133 N -1.16 1.04 -4.49 0.99 4.77 -0.47 -4.96 117.00 112.71 3g39 n LEU 133 Ca 0.14 -0.56 -0.38 0.00 -0.03 0.00 0.00 56.01 55.18 3g39 n LEU 133 Cb 0.14 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.11 3g39 n LEU 133 CO 0.16 0.24 -0.20 -0.69 -1.33 0.00 0.00 177.39 175.56 3g39 s VAL 134 N -2.55 4.82 0.04 4.08 1.01 -1.05 -0.71 120.40 126.04 3g39 s VAL 134 Ca 0.09 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.91 3g39 s VAL 134 Cb 0.14 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 3g39 s VAL 134 CO 0.67 0.16 -0.04 -0.36 0.00 0.00 0.00 175.10 175.53 3g39 s PHE 135 N 1.67 2.93 0.00 5.22 0.08 -0.36 -0.63 117.98 126.88 3g39 s PHE 135 Ca 0.06 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.07 3g39 s PHE 135 Cb -0.16 -1.57 0.00 0.00 -0.57 0.00 0.00 43.02 40.72 3g39 s PHE 135 CO 0.07 0.43 0.00 0.41 -0.10 0.00 0.00 175.22 176.03 3g39 n GLY 136 N 1.10 0.85 0.22 4.36 0.00 0.45 -4.35 105.19 107.82 3g39 n GLY 136 Ca -0.14 -1.81 0.09 0.00 0.00 0.00 0.00 46.02 44.16 3g39 n GLY 136 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3g39 h TYR 137 N 0.00 0.00 0.00 1.61 0.05 -1.97 -3.37 116.97 113.29 3g39 h TYR 137 Ca 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.67 3g39 h TYR 137 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 3g39 h TYR 137 CO 0.00 0.26 -1.42 1.28 -1.05 0.00 0.00 178.16 177.23 3g39 n LEU 138 N -3.57 2.77 0.00 3.88 4.77 -1.26 -5.12 117.00 118.47 3g39 n LEU 138 Ca -0.01 -0.03 -0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3g39 n LEU 138 Cb 0.40 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3g39 n LEU 138 CO 0.34 0.58 0.02 -3.20 -1.33 0.00 0.00 177.39 173.80 3g39 n ASN 139 N -2.77 -0.06 -4.66 -1.43 2.85 -1.26 -5.13 115.26 102.79 3g39 n ASN 139 Ca -0.13 -1.04 -0.44 0.00 -0.11 0.00 0.00 54.58 52.85 3g39 n ASN 139 Cb 0.64 0.11 -0.02 0.00 1.24 0.00 0.00 39.78 41.74 3g39 n ASN 139 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 3g39 n LEU 140 N 0.00 2.87 -2.71 1.20 7.94 -1.26 -0.41 117.00 124.62 3g39 n LEU 140 Ca -0.00 1.17 -0.05 0.00 -1.11 0.00 0.00 56.01 56.02 3g39 n LEU 140 Cb 0.02 -1.40 0.04 0.00 0.53 0.00 0.00 43.42 42.61 3g39 n LEU 140 CO 0.01 -0.73 0.34 -0.67 -1.11 0.00 0.00 177.39 175.23 3g39 n ASP 141 N 1.48 -2.33 0.23 1.96 -0.08 0.20 -4.61 116.55 113.41 3g39 n ASP 141 Ca 0.09 -2.25 0.16 0.00 -1.51 0.00 0.00 54.79 51.28 3g39 n ASP 141 Cb 0.33 1.28 0.72 0.00 2.34 0.00 0.00 41.12 45.78 3g39 n ASP 141 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3g39 h PRO 142 N 4.13 0.00 -0.00 -0.67 0.13 -1.76 -1.21 132.00 132.63 3g39 h PRO 142 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3g39 h PRO 142 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3g39 h PRO 142 CO 0.01 0.00 -0.01 -0.25 -0.23 0.00 0.00 178.00 177.52 3g39 n ASP 143 N -2.73 0.21 0.24 1.44 8.00 -1.26 -3.95 116.55 118.49 3g39 n ASP 143 Ca 0.00 -0.90 0.15 0.00 0.71 0.00 0.00 54.79 54.75 3g39 n ASP 143 Cb 0.20 -0.05 0.50 0.00 -0.02 0.00 0.00 41.12 41.76 3g39 n ASP 143 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3g39 h SER 144 N 0.32 0.00 -3.49 -2.24 4.64 -1.61 -3.39 113.55 107.77 3g39 h SER 144 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 3g39 h SER 144 Cb 0.13 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.14 3g39 h SER 144 CO 0.00 0.00 0.80 0.00 -0.87 0.00 0.00 176.83 176.76 3g39 s ALA 145 N -3.47 3.36 0.05 5.18 0.00 -1.25 -4.32 121.76 121.30 3g39 s ALA 145 Ca 0.04 -0.31 0.08 0.00 0.00 0.00 0.00 51.96 51.76 3g39 s ALA 145 Cb 0.08 -3.71 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 3g39 s ALA 145 CO 0.57 -1.78 -0.22 1.03 0.00 0.00 0.00 175.76 175.36 3g39 s ARG 146 N 3.86 1.47 0.23 0.00 0.52 -1.26 -0.62 118.95 123.16 3g39 s ARG 146 Ca 0.44 -1.00 -0.30 0.00 -0.52 0.00 0.00 55.73 54.35 3g39 s ARG 146 Cb -0.10 -1.62 -0.10 0.00 0.52 0.00 0.00 34.95 33.65 3g39 s ARG 146 CO 0.22 0.41 1.44 0.00 0.02 0.00 0.00 175.30 177.39 3g39 n SER 148 N 2.57 2.47 0.00 0.00 2.88 0.19 -3.67 113.62 118.06 3g39 n SER 148 Ca 0.08 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 3g39 n SER 148 Cb 0.40 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 3g39 n SER 148 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3g39 n GLY 149 N 0.85 0.50 2.40 0.46 0.00 -1.26 -4.80 105.19 103.34 3g39 n GLY 149 Ca 0.06 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 3g39 n GLY 149 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3g39 n ASN 151 N 0.75 -0.29 -4.75 1.61 3.02 -1.24 -5.26 115.26 109.10 3g39 n ASN 151 Ca 0.00 -3.23 -0.38 0.00 -0.03 0.00 0.00 54.58 50.94 3g39 n ASN 151 Cb 0.00 0.29 0.03 0.00 -0.61 0.00 0.00 39.78 39.49 3g39 n ASN 151 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3g39 s THR 152 N -1.48 2.23 0.44 3.41 -4.23 -1.26 -4.43 115.64 110.32 3g39 s THR 152 Ca 0.33 0.17 -0.26 0.00 -1.18 0.00 0.00 61.69 60.76 3g39 s THR 152 Cb 0.33 -3.09 -0.09 0.00 1.34 0.00 0.00 72.50 71.00 3g39 s THR 152 CO -0.07 0.00 1.42 -2.65 -0.54 0.00 0.00 174.62 172.79 3g39 n PRO 153 N -0.84 2.26 -0.18 3.99 -0.02 -1.26 -0.06 135.00 138.88 3g39 n PRO 153 Ca 0.09 0.80 0.01 0.00 -2.02 0.00 0.00 63.50 62.39 3g39 n PRO 153 Cb 0.45 -2.61 0.27 0.00 -0.02 0.00 0.00 33.50 31.59 3g39 n PRO 153 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3g39 h VAL 154 N 2.33 1.18 0.00 -1.45 2.07 -1.17 -1.31 116.25 117.91 3g39 h VAL 154 Ca -0.50 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.69 3g39 h VAL 154 Cb 1.27 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3g39 h VAL 154 CO 0.61 0.17 0.00 0.08 0.02 0.00 0.00 177.57 178.46 3g39 h ARG 155 N 0.95 0.00 -0.02 1.57 0.11 -1.79 -2.62 114.38 112.58 3g39 h ARG 155 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 3g39 h ARG 155 Cb -0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.97 3g39 h ARG 155 CO -0.06 0.00 -0.12 0.00 0.10 0.00 0.00 179.97 179.90 3g39 n ALA 156 N -1.88 2.76 -1.67 0.08 0.00 -0.50 -4.77 120.51 114.54 3g39 n ALA 156 Ca 0.01 -0.59 -0.53 0.00 0.00 0.00 0.00 53.44 52.33 3g39 n ALA 156 Cb 0.19 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 3g39 n ALA 156 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g39 n VAL 157 N 0.59 0.42 -0.07 0.00 0.31 -0.99 -4.84 118.33 113.76 3g39 n VAL 157 Ca 0.14 -0.11 -0.07 0.00 -0.01 0.00 0.00 64.34 64.29 3g39 n VAL 157 Cb 0.49 -1.58 0.10 0.00 -0.91 0.00 0.00 33.84 31.94 3g39 n VAL 157 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3g39 h THR 158 N 5.60 1.27 0.00 2.52 1.35 -1.91 -3.48 112.91 118.26 3g39 h THR 158 Ca -0.45 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.07 3g39 h THR 158 Cb 1.30 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 3g39 h THR 158 CO 0.96 0.44 0.00 -0.62 -0.25 0.00 0.00 175.52 176.06 3g39 n GLU 159 N -4.11 0.00 0.00 4.72 1.02 -1.26 -4.91 120.64 116.10 3g39 n GLU 159 Ca -0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 3g39 n GLU 159 Cb 0.43 0.00 0.78 0.00 -0.02 0.00 0.00 31.44 32.63 3g39 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g39 n ALA 160 N -1.40 2.47 0.39 0.62 0.00 -1.26 -2.77 120.51 118.57 3g39 n ALA 160 Ca 0.00 -0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.41 3g39 n ALA 160 Cb 0.00 -1.45 0.26 0.00 0.00 0.00 0.00 19.45 18.26 3g39 n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3g39 h SER 161 N 0.00 0.00 -1.79 0.00 4.64 -1.93 -3.47 113.55 111.01 3g39 h SER 161 Ca 0.00 -0.01 -0.50 0.00 -0.47 0.00 0.00 61.79 60.81 3g39 h SER 161 Cb 0.09 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.13 3g39 h SER 161 CO 0.00 0.00 -0.45 0.42 -0.87 0.00 0.00 176.83 175.94 3g39 s THR 162 N -3.17 3.28 -0.20 2.95 -4.23 -1.11 -4.70 115.64 108.46 3g39 s THR 162 Ca 0.08 -1.41 -0.21 0.00 -1.18 0.00 0.00 61.69 58.97 3g39 s THR 162 Cb 0.08 -3.12 0.06 0.00 1.34 0.00 0.00 72.50 70.86 3g39 s THR 162 CO 0.64 -0.14 0.58 -0.55 -0.54 0.00 0.00 174.62 174.61 3g39 s SER 163 N -4.00 -0.59 0.62 3.99 0.15 -0.30 -4.85 113.70 108.72 3g39 s SER 163 Ca 0.42 1.11 0.39 0.00 0.70 0.00 0.00 55.95 58.57 3g39 s SER 163 Cb -0.05 1.12 2.00 0.00 -1.71 0.00 0.00 66.02 67.39 3g39 s SER 163 CO 0.26 -0.23 2.23 1.55 1.20 0.00 0.00 173.24 178.25 3g39 h PRO 164 N 5.06 0.00 0.00 5.44 0.13 -1.94 -2.02 132.00 138.67 3g39 h PRO 164 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3g39 h PRO 164 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3g39 h PRO 164 CO 0.16 0.01 0.00 0.66 -0.23 0.00 0.00 178.00 178.60 3g39 h SER 165 N 0.00 0.00 -1.02 1.44 4.64 -1.94 -3.31 113.55 113.35 3g39 h SER 165 Ca -0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 3g39 h SER 165 Cb 0.18 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 61.95 3g39 h SER 165 CO 0.00 0.00 0.46 0.29 -0.87 0.00 0.00 176.83 176.71 3g39 n LYS 166 N -2.47 2.93 0.00 4.77 5.02 -1.14 -5.12 118.16 122.15 3g39 n LYS 166 Ca 0.04 -3.54 0.04 0.00 -2.02 0.00 0.00 58.31 52.83 3g39 n LYS 166 Cb 0.39 -2.29 0.03 0.00 -0.02 0.00 0.00 35.03 33.15 3g39 n LYS 166 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88