#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g16 s THR 2 N 0.00 -0.36 0.03 2.61 2.01 -1.26 -5.30 115.64 113.38 3g16 s THR 2 Ca 0.00 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 3g16 s THR 2 Cb 0.00 -0.48 -0.08 0.00 0.01 0.00 0.00 72.50 71.96 3g16 s THR 2 CO 0.00 0.04 1.77 0.00 -0.69 0.00 0.00 174.62 175.73 3g16 s ALA 3 N 2.37 3.64 0.40 7.40 0.00 -1.26 -4.94 121.76 129.37 3g16 s ALA 3 Ca 0.03 1.19 -0.27 0.00 0.00 0.00 0.00 51.96 52.91 3g16 s ALA 3 Cb -0.13 -3.76 -0.10 0.00 0.00 0.00 0.00 23.12 19.12 3g16 s ALA 3 CO -0.09 -1.34 1.49 -2.30 0.00 0.00 0.00 175.76 173.52 3g16 n PRO 4 N 6.61 2.60 -3.14 0.00 -0.02 -1.26 -4.96 135.00 134.83 3g16 n PRO 4 Ca 0.18 0.92 -0.42 0.00 -2.02 0.00 0.00 63.50 62.15 3g16 n PRO 4 Cb 0.41 -2.68 -0.07 0.00 -0.02 0.00 0.00 33.50 31.14 3g16 n PRO 4 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3g16 s THR 5 N -1.14 4.92 0.24 3.45 2.01 -1.26 -4.84 115.64 119.02 3g16 s THR 5 Ca 0.55 0.48 -0.30 0.00 0.31 0.00 0.00 61.69 62.73 3g16 s THR 5 Cb -0.46 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 67.90 3g16 s THR 5 CO 0.62 -0.31 0.97 -0.76 -0.69 0.00 0.00 174.62 174.45 3g16 s LEU 6 N 2.64 4.62 0.70 4.42 1.43 -1.26 -5.04 118.68 126.18 3g16 s LEU 6 Ca 0.23 2.00 -0.13 0.00 -1.03 0.00 0.00 54.13 55.19 3g16 s LEU 6 Cb -0.15 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.48 3g16 s LEU 6 CO 0.15 0.09 1.11 -0.94 0.23 0.00 0.00 176.35 176.98 3g16 s SER 7 N -1.04 4.88 0.20 2.29 1.04 -1.26 -4.77 113.70 115.04 3g16 s SER 7 Ca 0.42 1.95 -0.10 0.00 0.48 0.00 0.00 55.95 58.70 3g16 s SER 7 Cb -0.27 -2.54 0.14 0.00 0.10 0.00 0.00 66.02 63.45 3g16 s SER 7 CO 0.33 -1.78 1.80 0.08 0.98 0.00 0.00 173.24 174.65 3g16 h ARG 8 N -0.38 1.06 -0.86 4.02 0.11 -1.96 -2.70 114.38 113.67 3g16 h ARG 8 Ca -0.46 -0.15 0.03 0.00 0.10 0.00 0.00 59.98 59.50 3g16 h ARG 8 Cb 1.24 -0.20 -0.05 0.00 1.11 0.00 0.00 29.97 32.08 3g16 h ARG 8 CO 0.53 0.82 0.56 0.00 0.10 0.00 0.00 179.97 181.97 3g16 h ALA 9 N 1.19 1.12 0.00 0.08 0.00 -2.02 -0.92 119.26 118.70 3g16 h ALA 9 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3g16 h ALA 9 Cb 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3g16 h ALA 9 CO -0.03 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.63 3g16 n ALA 10 N -2.34 1.20 0.00 0.00 0.00 -1.02 -1.20 120.51 117.15 3g16 n ALA 10 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3g16 n ALA 10 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3g16 n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3g16 n GLU 12 N 0.52 0.00 -0.19 0.00 2.13 -0.35 -2.31 120.64 120.43 3g16 n GLU 12 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 3g16 n GLU 12 Cb 0.03 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.75 3g16 n GLU 12 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 3g16 h LYS 13 N 0.00 0.83 -0.58 5.31 3.64 -1.42 -0.36 116.57 123.99 3g16 h LYS 13 Ca 0.00 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 3g16 h LYS 13 Cb 0.00 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3g16 h LYS 13 CO 0.00 0.75 0.20 0.28 -2.27 0.00 0.00 179.45 178.41 3g16 h VAL 14 N 0.74 1.24 -0.50 2.00 2.07 -1.73 -1.11 116.25 118.96 3g16 h VAL 14 Ca 0.18 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3g16 h VAL 14 Cb 0.25 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3g16 h VAL 14 CO -0.01 0.30 0.23 0.40 0.02 0.00 0.00 177.57 178.51 3g16 h ILE 15 N 0.81 1.20 -0.59 4.57 2.04 -1.78 -0.59 117.51 123.17 3g16 h ILE 15 Ca 0.19 -0.56 -0.10 0.00 1.00 0.00 0.00 64.86 65.38 3g16 h ILE 15 Cb 0.26 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3g16 h ILE 15 CO -0.01 0.22 -0.03 0.03 0.00 0.00 0.00 178.15 178.36 3g16 h ARG 16 N 0.66 1.06 -0.81 2.37 2.47 -0.98 -1.42 114.38 117.73 3g16 h ARG 16 Ca 0.17 -0.35 -0.01 0.00 -1.26 0.00 0.00 59.98 58.53 3g16 h ARG 16 Cb 0.13 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.32 3g16 h ARG 16 CO -0.02 1.05 0.48 1.15 0.56 0.00 0.00 179.97 183.19 3g16 h THR 17 N 0.96 1.23 0.35 2.04 2.02 -0.91 -0.06 112.91 118.53 3g16 h THR 17 Ca 0.16 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 3g16 h THR 17 Cb 0.59 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3g16 h THR 17 CO 0.04 0.24 -0.22 0.22 0.37 0.00 0.00 175.52 176.17 3g16 h TYR 18 N 1.11 -0.56 -0.82 3.16 3.20 -0.64 0.02 116.97 122.44 3g16 h TYR 18 Ca 0.29 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 3g16 h TYR 18 Cb -0.03 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 3g16 h TYR 18 CO -0.00 -0.33 0.48 1.88 -1.64 0.00 0.00 178.16 178.54 3g16 h TYR 19 N -0.54 1.09 -0.15 -3.82 -1.99 -1.16 0.59 116.97 110.99 3g16 h TYR 19 Ca -0.04 -0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.71 3g16 h TYR 19 Cb 0.45 -0.36 -0.02 0.00 2.00 0.00 0.00 36.73 38.80 3g16 h TYR 19 CO -0.09 0.73 -0.02 -0.44 -0.00 0.00 0.00 178.16 178.35 3g16 h ASP 20 N 1.13 -0.09 -0.99 3.88 3.32 -0.79 -1.36 116.42 121.52 3g16 h ASP 20 Ca 0.29 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.40 3g16 h ASP 20 Cb -0.02 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 3g16 h ASP 20 CO -0.05 -0.02 0.66 1.23 -1.72 0.00 0.00 179.24 179.33 3g16 h GLY 21 N 0.03 1.41 0.75 2.75 0.00 -0.32 -0.07 103.07 107.63 3g16 h GLY 21 Ca 0.07 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 46.89 3g16 h GLY 21 CO -0.13 0.48 -0.19 0.00 0.00 0.00 0.00 176.54 176.70 3g16 h ASN 23 N -0.40 0.09 0.17 0.00 2.35 -0.80 -1.98 115.58 115.02 3g16 h ASN 23 Ca 0.01 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3g16 h ASN 23 Cb 0.39 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3g16 h ASN 23 CO -0.06 0.28 -0.06 -0.62 -1.65 0.00 0.00 177.43 175.32 3g16 n GLU 24 N -4.29 1.02 -3.97 0.81 1.02 -0.08 -4.92 120.64 110.23 3g16 n GLU 24 Ca -0.02 -0.37 -0.31 0.00 -0.02 0.00 0.00 57.16 56.44 3g16 n GLU 24 Cb 0.26 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 30.21 3g16 n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g16 n ALA 25 N -0.66 -1.34 -3.56 0.62 0.00 -0.46 -4.91 120.51 110.19 3g16 n ALA 25 Ca 0.18 0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.33 3g16 n ALA 25 Cb 0.26 -4.07 -0.08 0.00 0.00 0.00 0.00 19.45 15.56 3g16 n ALA 25 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3g16 s ASP 26 N -3.40 5.74 0.18 0.00 -1.08 -0.64 -4.91 116.67 112.57 3g16 s ASP 26 Ca 0.62 -2.22 -0.13 0.00 -0.52 0.00 0.00 52.55 50.31 3g16 s ASP 26 Cb -0.32 -2.00 0.09 0.00 -1.46 0.00 0.00 42.92 39.23 3g16 s ASP 26 CO 0.85 -0.61 1.83 -0.33 0.52 0.00 0.00 175.17 177.43 3g16 h GLU 27 N 8.05 0.80 -0.76 4.34 5.08 -1.86 -2.73 114.58 127.50 3g16 h GLU 27 Ca -0.12 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3g16 h GLU 27 Cb 1.04 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 3g16 h GLU 27 CO 0.81 0.56 0.50 0.00 -1.00 0.00 0.00 179.01 179.88 3g16 h ALA 28 N 1.19 0.97 0.00 3.43 0.00 -1.97 0.21 119.26 123.09 3g16 h ALA 28 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3g16 h ALA 28 Cb -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.44 3g16 h ALA 28 CO -0.04 0.37 0.00 1.17 0.00 0.00 0.00 179.25 180.75 3g16 n LYS 29 N -4.56 0.18 0.00 0.00 4.81 -1.03 -2.13 118.16 115.43 3g16 n LYS 29 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 3g16 n LYS 29 Cb 0.02 -1.14 0.00 0.00 0.02 0.00 0.00 35.03 33.93 3g16 n LYS 29 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3g16 n ILE 31 N 0.49 0.00 0.42 3.15 5.41 0.06 -3.56 119.36 125.33 3g16 n ILE 31 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 62.75 63.83 3g16 n ILE 31 Cb 0.05 0.00 0.34 0.00 -0.71 0.00 0.00 39.64 39.32 3g16 n ILE 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g16 n ALA 32 N 0.00 1.58 1.22 -1.39 0.00 -0.90 -2.23 120.51 118.79 3g16 n ALA 32 Ca 0.00 -0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3g16 n ALA 32 Cb 0.00 -1.26 0.36 0.00 0.00 0.00 0.00 19.45 18.55 3g16 n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g16 s PHE 34 N -2.54 2.02 0.55 0.00 0.08 -0.95 -1.15 117.98 116.01 3g16 s PHE 34 Ca 0.23 -0.41 -0.20 0.00 0.12 0.00 0.00 56.93 56.67 3g16 s PHE 34 Cb 0.19 -1.03 -0.05 0.00 -0.57 0.00 0.00 43.02 41.56 3g16 s PHE 34 CO 0.53 0.36 1.24 0.14 -0.10 0.00 0.00 175.22 177.39 3g16 s VAL 35 N -1.63 2.59 0.39 -0.44 -7.23 -0.47 -4.82 120.40 108.78 3g16 s VAL 35 Ca 0.15 0.40 0.11 0.00 -1.81 0.00 0.00 61.98 60.83 3g16 s VAL 35 Cb -0.08 -3.18 0.33 0.00 0.56 0.00 0.00 36.38 34.01 3g16 s VAL 35 CO 0.07 -0.05 1.91 -0.65 -0.31 0.00 0.00 175.10 176.08 3g16 h PRO 36 N 1.26 0.56 -0.30 4.82 0.11 -1.91 -1.33 132.00 135.20 3g16 h PRO 36 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3g16 h PRO 36 Cb 1.29 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3g16 h PRO 36 CO 0.57 0.37 0.00 -0.85 -0.21 0.00 0.00 178.00 177.88 3g16 n GLU 37 N -4.51 1.72 -1.66 1.05 0.00 -1.26 -0.94 120.64 115.05 3g16 n GLU 37 Ca 0.14 -1.12 -0.39 0.00 0.00 0.00 0.00 57.16 55.79 3g16 n GLU 37 Cb 0.44 -1.25 0.03 0.00 0.00 0.00 0.00 31.44 30.66 3g16 n GLU 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3g16 n ALA 38 N 0.40 0.69 -2.60 -1.84 0.00 -0.50 -4.34 120.51 112.32 3g16 n ALA 38 Ca 0.11 0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 3g16 n ALA 38 Cb 0.27 -2.18 -0.16 0.00 0.00 0.00 0.00 19.45 17.37 3g16 n ALA 38 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3g16 s VAL 39 N -1.34 1.86 -0.18 0.00 1.01 -1.15 0.15 120.40 120.75 3g16 s VAL 39 Ca 0.69 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 3g16 s VAL 39 Cb -0.47 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 3g16 s VAL 39 CO 0.52 0.52 -0.02 -2.28 0.00 0.00 0.00 175.10 173.85 3g16 s HIS 40 N -0.30 3.03 0.18 5.22 2.46 -0.64 -1.83 115.29 123.41 3g16 s HIS 40 Ca 0.02 -0.43 0.06 0.00 0.47 0.00 0.00 55.06 55.18 3g16 s HIS 40 Cb -0.11 -2.04 -0.04 0.00 -0.13 0.00 0.00 32.58 30.26 3g16 s HIS 40 CO 0.01 -0.18 0.10 0.71 -2.47 0.00 0.00 174.74 172.91 3g16 s TYR 41 N 0.79 3.03 0.16 3.88 2.02 0.54 -0.71 117.35 127.05 3g16 s TYR 41 Ca -0.00 -0.07 -0.03 0.00 -0.37 0.00 0.00 57.07 56.59 3g16 s TYR 41 Cb -0.14 -1.44 -0.03 0.00 -0.40 0.00 0.00 41.96 39.94 3g16 s TYR 41 CO 0.02 0.52 0.14 -0.06 -1.57 0.00 0.00 175.55 174.61 3g16 s PHE 42 N -1.81 0.80 0.42 2.71 0.08 -1.26 -1.24 117.98 117.67 3g16 s PHE 42 Ca 0.30 -1.14 -0.24 0.00 0.12 0.00 0.00 56.93 55.98 3g16 s PHE 42 Cb -0.09 -0.37 -0.11 0.00 -0.57 0.00 0.00 43.02 41.88 3g16 s PHE 42 CO 0.22 -0.61 0.91 -2.30 -0.10 0.00 0.00 175.22 173.34 3g16 n PRO 43 N -0.17 1.15 -1.80 0.24 -0.02 -1.23 -1.11 135.00 132.06 3g16 n PRO 43 Ca -0.04 0.42 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 3g16 n PRO 43 Cb 0.64 -1.92 -0.01 0.00 -0.02 0.00 0.00 33.50 32.19 3g16 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g16 s ALA 44 N -1.31 3.65 0.00 3.55 0.00 -0.05 -4.35 121.76 123.24 3g16 s ALA 44 Ca 0.64 1.56 0.00 0.00 0.00 0.00 0.00 51.96 54.16 3g16 s ALA 44 Cb -0.57 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 18.93 3g16 s ALA 44 CO 0.57 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.73 3g16 n GLY 45 N 1.25 0.66 0.00 0.00 0.00 -1.26 -4.89 105.19 100.95 3g16 n GLY 45 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3g16 n GLY 45 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3g16 n TYR 47 N 0.00 0.00 -0.90 1.61 4.01 -1.26 -4.92 117.16 115.70 3g16 n TYR 47 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3g16 n TYR 47 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3g16 n TYR 47 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g16 n GLY 48 N 0.00 0.28 0.00 2.72 0.00 -1.26 -4.76 105.19 102.16 3g16 n GLY 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3g16 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g16 n GLY 49 N -1.12 0.59 3.77 -0.02 0.00 -1.26 -5.08 105.19 102.07 3g16 n GLY 49 Ca 0.00 -2.16 -0.31 0.00 0.00 0.00 0.00 46.02 43.56 3g16 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g16 s ALA 50 N -1.64 2.16 -0.37 4.61 0.00 -1.26 -4.80 121.76 120.46 3g16 s ALA 50 Ca 0.00 0.12 -0.14 0.00 0.00 0.00 0.00 51.96 51.94 3g16 s ALA 50 Cb 0.00 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.90 3g16 s ALA 50 CO 0.00 -1.81 0.26 -0.06 0.00 0.00 0.00 175.76 174.15 3g16 s PHE 51 N -2.96 3.23 -0.51 0.00 0.08 0.11 -4.98 117.98 112.96 3g16 s PHE 51 Ca 0.61 -0.39 -0.16 0.00 0.12 0.00 0.00 56.93 57.11 3g16 s PHE 51 Cb -0.17 -2.52 0.10 0.00 -0.57 0.00 0.00 43.02 39.86 3g16 s PHE 51 CO 0.56 -0.46 0.46 1.03 -0.10 0.00 0.00 175.22 176.71 3g16 s ARG 52 N 1.70 2.99 0.00 0.44 0.52 -1.26 -1.62 118.95 121.72 3g16 s ARG 52 Ca 0.06 -1.46 0.00 0.00 -0.52 0.00 0.00 55.73 53.81 3g16 s ARG 52 Cb -0.18 -4.20 0.00 0.00 0.52 0.00 0.00 34.95 31.09 3g16 s ARG 52 CO 0.10 -1.18 0.00 0.41 0.02 0.00 0.00 175.30 174.65 3g16 n GLY 53 N 5.22 2.55 0.30 -3.53 0.00 0.12 -4.52 105.19 105.35 3g16 n GLY 53 Ca -0.13 -1.64 0.05 0.00 0.00 0.00 0.00 46.02 44.30 3g16 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g16 h ALA 54 N 0.00 1.20 -0.35 4.61 0.00 -1.07 -1.62 119.26 122.04 3g16 h ALA 54 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3g16 h ALA 54 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3g16 h ALA 54 CO 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 179.25 179.27 3g16 h ALA 55 N 1.51 1.44 -0.12 0.00 0.00 -1.89 -1.37 119.26 118.84 3g16 h ALA 55 Ca 0.43 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 3g16 h ALA 55 Cb 0.53 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.17 3g16 h ALA 55 CO -0.32 0.40 -0.54 1.96 0.00 0.00 0.00 179.25 180.76 3g16 h GLN 56 N 0.51 0.58 -0.24 0.00 7.50 -1.57 -1.10 115.11 120.78 3g16 h GLN 56 Ca 0.12 -0.46 0.04 0.00 0.50 0.00 0.00 58.65 58.84 3g16 h GLN 56 Cb 0.25 0.09 -0.04 0.00 0.05 0.00 0.00 27.48 27.84 3g16 h GLN 56 CO 0.00 1.09 0.02 0.82 -1.50 0.00 0.00 178.83 179.25 3g16 h ILE 57 N 0.21 0.85 -0.48 2.54 2.04 -1.12 -1.41 117.51 120.13 3g16 h ILE 57 Ca -0.03 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 3g16 h ILE 57 Cb 1.18 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3g16 h ILE 57 CO 0.11 0.02 0.20 0.00 0.00 0.00 0.00 178.15 178.48 3g16 h ALA 58 N 1.20 0.63 -0.62 1.87 0.00 -1.22 -1.72 119.26 119.39 3g16 h ALA 58 Ca 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3g16 h ALA 58 Cb 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3g16 h ALA 58 CO -0.18 0.23 0.25 1.25 0.00 0.00 0.00 179.25 180.81 3g16 h HIS 59 N 0.64 0.94 -0.24 0.00 -0.00 -1.04 -0.79 115.15 114.65 3g16 h HIS 59 Ca 0.16 -0.07 -0.15 0.00 -0.00 0.00 0.00 60.37 60.31 3g16 h HIS 59 Cb 0.19 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 3g16 h HIS 59 CO 0.00 0.74 -0.48 0.00 -0.00 0.00 0.00 177.93 178.19 3g16 h ARG 60 N 0.87 0.64 -0.19 5.26 3.08 -1.03 -1.21 114.38 121.81 3g16 h ARG 60 Ca 0.21 -0.37 -0.15 0.00 0.07 0.00 0.00 59.98 59.74 3g16 h ARG 60 Cb 0.19 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3g16 h ARG 60 CO -0.02 0.98 -0.51 -1.49 -1.07 0.00 0.00 179.97 177.87 3g16 h TRP 61 N 0.51 0.63 -0.79 3.04 -0.00 -1.18 -1.36 115.95 116.79 3g16 h TRP 61 Ca 0.03 -0.21 0.01 0.00 -0.00 0.00 0.00 58.89 58.72 3g16 h TRP 61 Cb 1.03 -0.12 -0.04 0.00 -0.00 0.00 0.00 29.16 30.02 3g16 h TRP 61 CO 0.05 0.91 0.52 -0.09 -0.00 0.00 0.00 178.44 179.84 3g16 h ARG 62 N 0.40 1.04 -0.21 0.49 2.43 -0.83 -1.13 114.38 116.57 3g16 h ARG 62 Ca 0.02 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 3g16 h ARG 62 Cb 1.03 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 3g16 h ARG 62 CO 0.09 0.69 -0.27 1.79 -1.51 0.00 0.00 179.97 180.76 3g16 h THR 63 N 1.07 1.27 -0.44 0.20 1.35 -0.92 -1.91 112.91 113.53 3g16 h THR 63 Ca 0.29 -1.28 -0.02 0.00 -0.55 0.00 0.00 66.41 64.86 3g16 h THR 63 Cb -0.11 1.41 -0.02 0.00 -1.73 0.00 0.00 68.15 67.70 3g16 h THR 63 CO -0.07 0.40 0.19 0.00 -0.25 0.00 0.00 175.52 175.79 3g16 h ALA 64 N 1.36 0.57 -0.61 6.62 0.00 -0.48 0.34 119.26 127.05 3g16 h ALA 64 Ca 0.05 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3g16 h ALA 64 Cb 0.67 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3g16 h ALA 64 CO 0.05 0.16 0.39 0.28 0.00 0.00 0.00 179.25 180.13 3g16 h VAL 65 N 0.57 1.12 -0.52 0.00 2.07 -0.89 0.18 116.25 118.80 3g16 h VAL 65 Ca 0.15 -0.27 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 3g16 h VAL 65 Cb 0.16 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3g16 h VAL 65 CO -0.02 0.14 -0.05 -0.33 0.02 0.00 0.00 177.57 177.34 3g16 h GLU 66 N 0.79 0.94 0.05 1.57 5.08 -0.94 -1.24 114.58 120.83 3g16 h GLU 66 Ca 0.23 -0.33 -0.35 0.00 -1.00 0.00 0.00 59.36 57.92 3g16 h GLU 66 Cb -0.05 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 3g16 h GLU 66 CO -0.07 0.99 -2.05 0.25 -1.00 0.00 0.00 179.01 177.13 3g16 n THR 67 N -4.25 1.62 0.51 1.13 -2.24 0.07 -4.48 114.28 106.65 3g16 n THR 67 Ca 0.01 -0.72 0.08 0.00 -2.27 0.00 0.00 64.05 61.16 3g16 n THR 67 Cb 0.36 -1.27 -0.11 0.00 -2.10 0.00 0.00 70.33 67.20 3g16 n THR 67 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3g16 n LEU 68 N -3.20 0.51 -0.92 3.22 4.77 0.63 -4.92 117.00 117.09 3g16 n LEU 68 Ca -0.30 -0.32 -0.10 0.00 -0.03 0.00 0.00 56.01 55.26 3g16 n LEU 68 Cb 1.06 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.12 3g16 n LEU 68 CO 0.41 0.13 -0.11 0.61 -1.33 0.00 0.00 177.39 177.10 3g16 n GLY 69 N 1.44 0.66 3.58 -0.72 0.00 -0.47 -0.56 105.19 109.11 3g16 n GLY 69 Ca 0.01 -0.53 -0.48 0.00 0.00 0.00 0.00 46.02 45.02 3g16 n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3g16 n SER 70 N 0.27 1.27 -3.74 1.61 7.64 -1.19 -3.66 113.62 115.82 3g16 n SER 70 Ca -0.11 1.15 -0.15 0.00 1.01 0.00 0.00 58.87 60.77 3g16 n SER 70 Cb 0.44 -1.22 -0.15 0.00 -1.01 0.00 0.00 64.21 62.26 3g16 n SER 70 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3g16 s TYR 71 N -0.34 -0.08 0.03 1.43 6.14 -0.41 -4.67 117.35 119.45 3g16 s TYR 71 Ca 0.71 0.36 0.03 0.00 0.64 0.00 0.00 57.07 58.81 3g16 s TYR 71 Cb -0.83 -0.20 -0.04 0.00 0.42 0.00 0.00 41.96 41.32 3g16 s TYR 71 CO 0.53 -0.16 -0.04 -1.58 0.64 0.00 0.00 175.55 174.95 3g16 s TRP 72 N 1.37 2.94 0.06 4.97 0.51 -1.26 -0.60 118.94 126.93 3g16 s TRP 72 Ca -0.06 -0.02 0.08 0.00 -2.12 0.00 0.00 56.10 53.98 3g16 s TRP 72 Cb -0.12 -1.59 -0.03 0.00 -0.81 0.00 0.00 33.47 30.92 3g16 s TRP 72 CO -0.05 0.42 -0.21 0.95 -0.51 0.00 0.00 176.95 177.55 3g16 s THR 73 N -1.10 1.73 -0.38 2.01 -4.23 -0.51 -4.95 115.64 108.20 3g16 s THR 73 Ca 0.20 -1.30 -0.19 0.00 -1.18 0.00 0.00 61.69 59.22 3g16 s THR 73 Cb -0.11 -1.52 0.01 0.00 1.34 0.00 0.00 72.50 72.22 3g16 s THR 73 CO 0.11 0.16 0.54 -0.63 -0.54 0.00 0.00 174.62 174.27 3g16 s ILE 74 N -0.88 4.97 -0.14 2.99 1.01 -1.26 -1.83 121.20 126.05 3g16 s ILE 74 Ca 0.08 0.21 0.16 0.00 0.00 0.00 0.00 60.65 61.09 3g16 s ILE 74 Cb -0.09 -4.04 -0.24 0.00 0.01 0.00 0.00 42.46 38.10 3g16 s ILE 74 CO 0.02 -0.34 0.28 0.47 0.00 0.00 0.00 174.94 175.37 3g16 n ASP 75 N 5.87 0.35 -3.75 3.58 8.00 0.82 -4.96 116.55 126.45 3g16 n ASP 75 Ca -0.04 0.15 -0.13 0.00 0.71 0.00 0.00 54.79 55.47 3g16 n ASP 75 Cb 0.48 0.59 -0.09 0.00 -0.02 0.00 0.00 41.12 42.09 3g16 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g16 s ALA 76 N -2.53 -0.86 -0.07 2.24 0.00 -0.94 -4.94 121.76 114.65 3g16 s ALA 76 Ca -0.08 0.55 -0.02 0.00 0.00 0.00 0.00 51.96 52.40 3g16 s ALA 76 Cb 0.07 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.12 3g16 s ALA 76 CO 0.83 -0.24 0.05 -1.17 0.00 0.00 0.00 175.76 175.22 3g16 s LEU 77 N -0.94 0.30 -0.21 0.00 2.96 -1.26 -1.22 118.68 118.31 3g16 s LEU 77 Ca -0.10 -0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3g16 s LEU 77 Cb -0.04 -0.23 0.01 0.00 0.50 0.00 0.00 46.19 46.43 3g16 s LEU 77 CO 0.04 -0.26 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.01 3g16 s VAL 78 N 2.11 2.74 -0.12 1.68 1.01 0.16 -4.99 120.40 122.99 3g16 s VAL 78 Ca 0.04 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.24 3g16 s VAL 78 Cb -0.13 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.00 3g16 s VAL 78 CO -0.05 0.40 -0.21 -0.63 0.00 0.00 0.00 175.10 174.61 3g16 s ILE 79 N 1.36 1.95 -0.37 2.22 1.01 -1.26 -0.59 121.20 125.52 3g16 s ILE 79 Ca 0.04 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.76 3g16 s ILE 79 Cb -0.15 -1.72 0.10 0.00 0.01 0.00 0.00 42.46 40.71 3g16 s ILE 79 CO -0.07 0.53 0.12 -0.62 0.00 0.00 0.00 174.94 174.90 3g16 s ASP 80 N 0.67 5.01 0.36 3.58 -1.08 0.16 -4.97 116.67 120.40 3g16 s ASP 80 Ca -0.11 -2.07 0.27 0.00 -0.52 0.00 0.00 52.55 50.11 3g16 s ASP 80 Cb -0.16 -1.73 1.04 0.00 -1.46 0.00 0.00 42.92 40.61 3g16 s ASP 80 CO 0.02 -0.46 1.80 0.00 0.52 0.00 0.00 175.17 177.06 3g16 h ALA 81 N 7.83 1.00 -0.28 3.66 0.00 -1.86 0.14 119.26 129.76 3g16 h ALA 81 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 3g16 h ALA 81 Cb 1.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3g16 h ALA 81 CO 0.61 0.00 -0.49 1.49 0.00 0.00 0.00 179.25 180.86 3g16 h GLU 82 N 0.00 0.76 -0.00 0.00 4.57 -1.93 -3.32 114.58 114.66 3g16 h GLU 82 Ca 0.00 -0.45 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 3g16 h GLU 82 Cb 0.51 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3g16 h GLU 82 CO 0.00 1.07 -0.61 0.25 -1.18 0.00 0.00 179.01 178.54 3g16 n THR 83 N -4.01 0.00 -3.58 0.32 -2.24 -1.13 -4.99 114.28 98.65 3g16 n THR 83 Ca -0.03 -0.19 -0.20 0.00 -2.27 0.00 0.00 64.05 61.35 3g16 n THR 83 Cb 0.59 1.08 0.06 0.00 -2.10 0.00 0.00 70.33 69.96 3g16 n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g16 n ALA 84 N -0.87 -1.88 -2.36 6.98 0.00 0.01 -4.89 120.51 117.51 3g16 n ALA 84 Ca 0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 3g16 n ALA 84 Cb 0.30 -2.77 -0.10 0.00 0.00 0.00 0.00 19.45 16.88 3g16 n ALA 84 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3g16 s GLU 85 N -5.79 0.76 0.15 0.00 2.02 -1.05 -1.83 118.70 112.96 3g16 s GLU 85 Ca 0.12 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.93 3g16 s GLU 85 Cb -0.06 -0.24 -0.04 0.00 0.10 0.00 0.00 34.13 33.89 3g16 s GLU 85 CO 0.77 0.00 0.04 0.00 0.02 0.00 0.00 175.26 176.09 3g16 s ALA 86 N -3.01 1.07 0.01 5.21 0.00 0.05 -0.67 121.76 124.43 3g16 s ALA 86 Ca 0.06 -1.53 0.02 0.00 0.00 0.00 0.00 51.96 50.51 3g16 s ALA 86 Cb 0.01 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 3g16 s ALA 86 CO -0.03 -0.43 -0.06 0.00 0.00 0.00 0.00 175.76 175.24 3g16 s ALA 87 N -3.90 0.46 -0.07 0.00 0.00 0.25 -0.19 121.76 118.32 3g16 s ALA 87 Ca 0.25 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.83 3g16 s ALA 87 Cb 0.07 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.15 3g16 s ALA 87 CO 0.03 0.06 -0.10 0.42 0.00 0.00 0.00 175.76 176.17 3g16 s ILE 88 N -0.52 1.00 -0.19 0.00 1.01 -0.30 -0.66 121.20 121.54 3g16 s ILE 88 Ca -0.02 -0.38 -0.14 0.00 0.00 0.00 0.00 60.65 60.11 3g16 s ILE 88 Cb -0.05 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 3g16 s ILE 88 CO -0.00 0.33 0.31 -0.70 0.00 0.00 0.00 174.94 174.88 3g16 s GLU 89 N 0.87 4.20 0.21 2.79 2.12 -0.36 -0.42 118.70 128.11 3g16 s GLU 89 Ca -0.11 0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.31 3g16 s GLU 89 Cb -0.15 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.70 3g16 s GLU 89 CO 0.01 0.10 0.06 1.67 -0.54 0.00 0.00 175.26 176.56 3g16 s TRP 90 N 0.90 1.33 -0.05 5.30 1.48 -0.03 -0.13 118.94 127.74 3g16 s TRP 90 Ca 0.16 -1.13 0.02 0.00 -1.06 0.00 0.00 56.10 54.09 3g16 s TRP 90 Cb -0.14 -0.76 0.01 0.00 -1.16 0.00 0.00 33.47 31.42 3g16 s TRP 90 CO 0.06 -0.32 -0.11 0.99 -4.06 0.00 0.00 176.95 173.51 3g16 s THR 91 N -3.76 1.00 -0.41 0.66 2.01 -0.76 -1.65 115.64 112.73 3g16 s THR 91 Ca 0.31 -0.43 -0.08 0.00 0.31 0.00 0.00 61.69 61.80 3g16 s THR 91 Cb 0.07 -0.91 0.08 0.00 0.01 0.00 0.00 72.50 71.75 3g16 s THR 91 CO 0.09 0.31 0.23 -2.28 -0.69 0.00 0.00 174.62 172.28 3g16 s HIS 92 N 0.46 3.37 -0.39 4.92 5.04 0.92 -1.43 115.29 128.18 3g16 s HIS 92 Ca -0.09 -1.69 -0.23 0.00 -1.54 0.00 0.00 55.06 51.51 3g16 s HIS 92 Cb -0.13 -2.93 0.01 0.00 0.04 0.00 0.00 32.58 29.57 3g16 s HIS 92 CO 0.02 -0.86 0.78 -0.06 -2.34 0.00 0.00 174.74 172.28 3g16 s PHE 93 N 1.37 3.08 -1.21 3.88 0.08 0.23 -1.29 117.98 124.12 3g16 s PHE 93 Ca 0.03 0.44 -0.12 0.00 0.12 0.00 0.00 56.93 57.41 3g16 s PHE 93 Cb -0.23 -3.48 0.19 0.00 -0.57 0.00 0.00 43.02 38.93 3g16 s PHE 93 CO 0.01 -0.81 1.51 1.63 -0.10 0.00 0.00 175.22 177.47 3g16 n LYS 94 N 6.51 3.49 -0.14 0.44 5.02 0.14 -1.28 118.16 132.33 3g16 n LYS 94 Ca 0.03 -3.86 -0.04 0.00 -2.02 0.00 0.00 58.31 52.42 3g16 n LYS 94 Cb 0.48 -2.95 0.03 0.00 -0.02 0.00 0.00 35.03 32.58 3g16 n LYS 94 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3g16 h THR 95 N 4.28 0.58 0.00 -0.18 2.02 -1.56 -1.06 112.91 117.00 3g16 h THR 95 Ca 0.32 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.49 3g16 h THR 95 Cb 0.80 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3g16 h THR 95 CO 1.32 0.01 0.00 0.59 0.37 0.00 0.00 175.52 177.81 3g16 n ASN 96 N -5.29 0.40 -0.59 4.18 3.02 0.28 -1.77 115.26 115.50 3g16 n ASN 96 Ca 0.04 0.58 0.11 0.00 -0.03 0.00 0.00 54.58 55.27 3g16 n ASN 96 Cb 0.25 -0.67 0.02 0.00 -0.61 0.00 0.00 39.78 38.76 3g16 n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g16 n GLN 97 N -1.92 1.49 -3.82 3.52 6.02 -0.46 -4.98 117.38 117.24 3g16 n GLN 97 Ca 0.04 -1.19 -0.25 0.00 -0.01 0.00 0.00 57.00 55.59 3g16 n GLN 97 Cb 0.27 -1.45 0.02 0.00 1.02 0.00 0.00 30.24 30.10 3g16 n GLN 97 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3g16 n ASP 98 N 0.28 -2.15 -4.28 1.08 2.03 -0.73 -4.99 116.55 107.79 3g16 n ASP 98 Ca 0.10 -0.84 -0.23 0.00 0.52 0.00 0.00 54.79 54.34 3g16 n ASP 98 Cb 0.48 -3.82 -0.12 0.00 -0.72 0.00 0.00 41.12 36.94 3g16 n ASP 98 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3g16 s LYS 99 N -6.28 1.11 -0.08 -0.67 1.02 -1.08 -5.04 119.74 108.73 3g16 s LYS 99 Ca 0.22 -1.17 0.02 0.00 0.02 0.00 0.00 55.97 55.06 3g16 s LYS 99 Cb -0.11 -1.31 0.01 0.00 -0.52 0.00 0.00 37.83 35.90 3g16 s LYS 99 CO 0.83 0.30 -0.13 0.08 -0.92 0.00 0.00 175.35 175.51 3g16 s VAL 100 N -1.30 1.25 -0.13 3.17 1.01 -1.26 -0.68 120.40 122.45 3g16 s VAL 100 Ca 0.07 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3g16 s VAL 100 Cb -0.09 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.16 3g16 s VAL 100 CO 0.04 0.38 -0.13 -0.22 0.00 0.00 0.00 175.10 175.17 3g16 s LEU 101 N 0.73 1.62 0.20 3.92 2.96 -0.41 -5.00 118.68 122.70 3g16 s LEU 101 Ca -0.13 -0.44 0.07 0.00 -0.22 0.00 0.00 54.13 53.40 3g16 s LEU 101 Cb -0.16 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.39 3g16 s LEU 101 CO 0.03 -0.05 0.11 -0.13 -1.32 0.00 0.00 176.35 174.99 3g16 s ARG 102 N 1.41 2.73 0.00 1.98 0.52 -1.26 -0.06 118.95 124.27 3g16 s ARG 102 Ca 0.02 -1.03 0.00 0.00 -0.52 0.00 0.00 55.73 54.20 3g16 s ARG 102 Cb -0.13 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.83 3g16 s ARG 102 CO -0.08 0.44 0.00 0.41 0.02 0.00 0.00 175.30 176.09 3g16 n GLY 103 N -0.59 1.25 3.15 -3.53 0.00 -0.66 -0.58 105.19 104.23 3g16 n GLY 103 Ca -0.08 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 3g16 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g16 s ALA 104 N -1.00 -0.26 -0.00 4.61 0.00 -0.45 -0.85 121.76 123.80 3g16 s ALA 104 Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 51.96 51.57 3g16 s ALA 104 Cb 0.00 0.24 -0.00 0.00 0.00 0.00 0.00 23.12 23.36 3g16 s ALA 104 CO 0.00 -0.32 0.09 -1.83 0.00 0.00 0.00 175.76 173.70 3g16 s GLU 105 N -2.40 0.38 -0.07 0.00 -1.05 0.44 -0.54 118.70 115.47 3g16 s GLU 105 Ca -0.06 -0.36 -0.14 0.00 -0.15 0.00 0.00 54.97 54.25 3g16 s GLU 105 Cb -0.02 0.15 -0.05 0.00 -0.44 0.00 0.00 34.13 33.77 3g16 s GLU 105 CO -0.03 -0.08 0.35 0.00 0.95 0.00 0.00 175.26 176.45 3g16 s VAL 107 N -0.56 1.63 -0.15 0.00 1.01 0.74 -0.85 120.40 122.23 3g16 s VAL 107 Ca 0.21 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 3g16 s VAL 107 Cb -0.15 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3g16 s VAL 107 CO 0.10 0.47 0.10 -1.61 0.00 0.00 0.00 175.10 174.15 3g16 s GLU 108 N 1.11 3.66 0.06 2.72 2.02 -0.18 -0.77 118.70 127.32 3g16 s GLU 108 Ca -0.03 -0.24 -0.06 0.00 0.02 0.00 0.00 54.97 54.66 3g16 s GLU 108 Cb -0.14 -3.19 -0.05 0.00 0.10 0.00 0.00 34.13 30.85 3g16 s GLU 108 CO -0.05 0.54 0.31 -0.06 0.02 0.00 0.00 175.26 176.03 3g16 s PHE 109 N -0.38 3.55 -0.47 1.61 0.40 -0.76 -0.65 117.98 121.28 3g16 s PHE 109 Ca 0.10 0.58 -0.26 0.00 -0.60 0.00 0.00 56.93 56.75 3g16 s PHE 109 Cb -0.12 -2.00 0.03 0.00 0.51 0.00 0.00 43.02 41.44 3g16 s PHE 109 CO 0.01 0.55 1.00 0.34 0.70 0.00 0.00 175.22 177.82 3g16 s ASP 110 N -1.96 6.53 0.46 1.36 2.15 0.14 -4.77 116.67 120.58 3g16 s ASP 110 Ca 0.32 0.19 0.15 0.00 0.43 0.00 0.00 52.55 53.64 3g16 s ASP 110 Cb -0.13 -2.48 1.06 0.00 -0.30 0.00 0.00 42.92 41.07 3g16 s ASP 110 CO 0.20 -1.13 2.03 0.03 -0.17 0.00 0.00 175.17 176.12 3g16 h ARG 111 N 9.15 0.01 0.00 4.34 3.08 -1.88 0.12 114.38 129.20 3g16 h ARG 111 Ca -0.24 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3g16 h ARG 111 Cb 1.07 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3g16 h ARG 111 CO 1.06 0.14 0.00 0.00 -1.07 0.00 0.00 179.97 180.11 3g16 h ALA 112 N 1.86 1.00 0.00 0.04 0.00 -1.92 -3.31 119.26 116.93 3g16 h ALA 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g16 h ALA 112 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3g16 h ALA 112 CO 0.02 0.00 -0.79 -1.13 0.00 0.00 0.00 179.25 177.35 3g16 n SER 113 N -2.79 3.95 0.00 0.00 3.41 -1.01 -5.03 113.62 112.16 3g16 n SER 113 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3g16 n SER 113 Cb 0.33 0.71 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 3g16 n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g16 n GLY 114 N 2.08 0.50 3.67 5.00 0.00 0.38 -5.05 105.19 111.77 3g16 n GLY 114 Ca 0.00 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 3g16 n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g16 s LEU 115 N 0.00 3.09 0.14 0.99 1.43 -1.22 -4.91 118.68 118.19 3g16 s LEU 115 Ca 0.00 -0.92 -0.30 0.00 -1.03 0.00 0.00 54.13 51.88 3g16 s LEU 115 Cb 0.00 -1.49 -0.07 0.00 0.03 0.00 0.00 46.19 44.66 3g16 s LEU 115 CO 0.00 -0.27 1.16 -0.63 0.23 0.00 0.00 176.35 176.84 3g16 s ILE 116 N -2.49 3.85 -0.03 -0.59 1.01 -0.30 -0.69 121.20 121.97 3g16 s ILE 116 Ca 0.36 1.49 0.13 0.00 0.00 0.00 0.00 60.65 62.62 3g16 s ILE 116 Cb -0.01 -3.95 -0.19 0.00 0.01 0.00 0.00 42.46 38.32 3g16 s ILE 116 CO 0.21 0.20 0.25 -2.11 0.00 0.00 0.00 174.94 173.49 3g16 n ARG 117 N 2.92 0.61 -3.58 2.79 1.85 0.18 -1.37 116.66 120.05 3g16 n ARG 117 Ca 0.05 -0.10 -0.15 0.00 -1.00 0.00 0.00 57.85 56.65 3g16 n ARG 117 Cb 0.46 -1.30 -0.06 0.00 -1.05 0.00 0.00 32.46 30.50 3g16 n ARG 117 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 3g16 s GLU 118 N -2.81 0.88 -0.04 2.89 2.12 -1.15 -2.91 118.70 117.68 3g16 s GLU 118 Ca -0.05 0.61 0.02 0.00 0.36 0.00 0.00 54.97 55.92 3g16 s GLU 118 Cb 0.08 0.42 0.01 0.00 0.26 0.00 0.00 34.13 34.90 3g16 s GLU 118 CO 0.53 -0.19 -0.08 0.42 -0.54 0.00 0.00 175.26 175.39 3g16 s ILE 119 N -0.36 0.78 -0.21 -3.70 1.01 -0.76 -1.01 121.20 116.95 3g16 s ILE 119 Ca -0.04 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.31 3g16 s ILE 119 Cb -0.03 -0.73 0.04 0.00 0.01 0.00 0.00 42.46 41.75 3g16 s ILE 119 CO 0.04 0.26 -0.13 -0.13 0.00 0.00 0.00 174.94 174.98 3g16 s ARG 120 N 0.51 2.34 0.00 2.79 0.52 -0.03 -0.34 118.95 124.75 3g16 s ARG 120 Ca -0.08 -0.97 0.02 0.00 -0.52 0.00 0.00 55.73 54.17 3g16 s ARG 120 Cb -0.12 -2.58 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 3g16 s ARG 120 CO 0.01 -0.41 -0.02 0.00 0.02 0.00 0.00 175.30 174.90 3g16 s ALA 121 N 1.29 3.18 0.11 2.13 0.00 -0.37 -0.88 121.76 127.21 3g16 s ALA 121 Ca -0.02 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.01 3g16 s ALA 121 Cb -0.16 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 3g16 s ALA 121 CO -0.09 0.63 -0.13 -0.06 0.00 0.00 0.00 175.76 176.12 3g16 s PHE 122 N -1.06 1.28 0.15 0.00 0.08 0.30 -3.55 117.98 115.17 3g16 s PHE 122 Ca 0.19 -0.56 0.11 0.00 0.12 0.00 0.00 56.93 56.78 3g16 s PHE 122 Cb -0.11 -0.68 -0.04 0.00 -0.57 0.00 0.00 43.02 41.61 3g16 s PHE 122 CO 0.09 0.09 -0.25 0.71 -0.10 0.00 0.00 175.22 175.76 3g16 s TYR 123 N -2.03 2.22 -1.55 0.36 2.02 -1.26 -1.35 117.35 115.76 3g16 s TYR 123 Ca 0.06 -0.38 -0.09 0.00 -0.37 0.00 0.00 57.07 56.28 3g16 s TYR 123 Cb -0.05 -1.17 -0.04 0.00 -0.40 0.00 0.00 41.96 40.30 3g16 s TYR 123 CO 0.02 0.37 2.79 0.00 -1.57 0.00 0.00 175.55 177.16 3g16 n ALA 124 N 0.71 7.27 -2.46 3.71 0.00 0.25 -4.86 120.51 125.13 3g16 n ALA 124 Ca -0.16 -3.67 -0.26 0.00 0.00 0.00 0.00 53.44 49.34 3g16 n ALA 124 Cb 0.54 -3.27 -0.15 0.00 0.00 0.00 0.00 19.45 16.57 3g16 n ALA 124 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3g16 s SER 125 N 1.87 2.23 0.89 0.00 0.15 -1.26 -4.82 113.70 112.76 3g16 s SER 125 Ca 0.65 -0.35 -0.10 0.00 0.70 0.00 0.00 55.95 56.85 3g16 s SER 125 Cb 0.18 -0.25 0.13 0.00 -1.71 0.00 0.00 66.02 64.37 3g16 s SER 125 CO -0.07 0.23 1.12 -2.16 1.20 0.00 0.00 173.24 173.56 3g16 s PRO 126 N -0.45 1.21 0.18 5.44 0.04 -1.26 -4.90 135.00 135.26 3g16 s PRO 126 Ca 0.07 1.34 -0.32 0.00 0.04 0.00 0.00 61.00 62.13 3g16 s PRO 126 Cb -0.07 -1.77 -0.11 0.00 0.04 0.00 0.00 34.50 32.59 3g16 s PRO 126 CO -0.01 -2.42 1.69 -0.65 0.04 0.00 0.00 177.00 175.65 3g16 s GLN 127 N -4.73 4.15 0.18 4.56 -0.21 -1.26 -4.93 119.66 117.43 3g16 s GLN 127 Ca 0.65 2.54 -0.30 0.00 0.02 0.00 0.00 55.36 58.27 3g16 s GLN 127 Cb -0.21 -3.17 -0.08 0.00 1.00 0.00 0.00 33.01 30.55 3g16 s GLN 127 CO 0.58 -0.73 1.30 0.00 -2.12 0.00 0.00 175.29 174.33 3g16 s ALA 128 N 1.38 3.52 0.35 6.09 0.00 -1.26 -4.97 121.76 126.88 3g16 s ALA 128 Ca 0.74 1.08 -0.27 0.00 0.00 0.00 0.00 51.96 53.51 3g16 s ALA 128 Cb -0.48 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.07 3g16 s ALA 128 CO 0.32 -0.52 1.20 -1.21 0.00 0.00 0.00 175.76 175.55 3g16 s GLU 129 N 0.05 4.28 -1.70 0.00 0.41 -1.26 -3.60 118.70 116.88 3g16 s GLU 129 Ca 0.57 1.96 0.00 0.00 -0.41 0.00 0.00 54.97 57.09 3g16 s GLU 129 Cb -0.36 -2.92 0.00 0.00 -1.78 0.00 0.00 34.13 29.08 3g16 s GLU 129 CO 0.37 -0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.39 3g16 n GLY 130 N 0.81 0.97 3.41 -1.39 0.00 -1.26 -4.99 105.19 102.75 3g16 n GLY 130 Ca 0.02 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 3g16 n GLY 130 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g16 s ILE 131 N -2.72 4.15 0.19 -0.61 -1.09 -1.24 -5.00 121.20 114.89 3g16 s ILE 131 Ca 0.00 -0.29 -0.08 0.00 -2.23 0.00 0.00 60.65 58.05 3g16 s ILE 131 Cb 0.00 -2.97 0.07 0.00 -1.58 0.00 0.00 42.46 37.98 3g16 s ILE 131 CO 0.00 0.31 1.65 0.00 -1.23 0.00 0.00 174.94 175.66 3g16 h ALA 132 N 8.23 0.85 -3.54 9.38 0.00 -1.94 -3.41 119.26 128.84 3g16 h ALA 132 Ca -0.38 -0.32 -0.59 0.00 0.00 0.00 0.00 54.91 53.62 3g16 h ALA 132 Cb 1.17 -0.21 -0.38 0.00 0.00 0.00 0.00 17.79 18.36 3g16 h ALA 132 CO 0.59 0.66 -0.79 1.03 0.00 0.00 0.00 179.25 180.74 3g16 s ARG 133 N -4.97 1.50 -0.61 0.00 0.52 -1.26 -5.07 118.95 109.06 3g16 s ARG 133 Ca -0.11 -0.85 -0.13 0.00 -0.52 0.00 0.00 55.73 54.12 3g16 s ARG 133 Cb 0.14 -2.45 0.15 0.00 0.52 0.00 0.00 34.95 33.31 3g16 s ARG 133 CO 0.85 -0.58 0.53 -0.51 0.02 0.00 0.00 175.30 175.62 3g16 s LEU 134 N 1.48 6.16 0.33 2.53 1.43 -1.26 -5.01 118.68 124.35 3g16 s LEU 134 Ca -0.04 -2.15 -0.03 0.00 -1.03 0.00 0.00 54.13 50.87 3g16 s LEU 134 Cb -0.18 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.91 3g16 s LEU 134 CO -0.07 -0.70 0.47 -1.83 0.23 0.00 0.00 176.35 174.45 3g16 s GLU 135 N 1.02 1.88 0.24 1.70 -1.05 -1.26 -5.03 118.70 116.20 3g16 s GLU 135 Ca 0.09 -1.71 -0.30 0.00 -0.15 0.00 0.00 54.97 52.90 3g16 s GLU 135 Cb -0.23 0.45 -0.09 0.00 -0.44 0.00 0.00 34.13 33.82 3g16 s GLU 135 CO -0.02 -0.78 1.21 -0.51 0.95 0.00 0.00 175.26 176.11 3g16 s LEU 136 N -3.22 4.47 0.23 1.83 1.43 -1.26 -0.88 118.68 121.29 3g16 s LEU 136 Ca 0.30 2.35 -0.30 0.00 -1.03 0.00 0.00 54.13 55.45 3g16 s LEU 136 Cb -0.00 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.50 3g16 s LEU 136 CO 0.19 -0.36 1.34 -0.83 0.23 0.00 0.00 176.35 176.92 3g16 s GLY 137 N -0.24 2.49 0.00 -3.19 0.00 -0.26 -3.38 107.32 102.74 3g16 s GLY 137 Ca 0.50 1.19 0.00 0.00 0.00 0.00 0.00 44.72 46.41 3g16 s GLY 137 CO 0.41 2.10 0.00 1.22 0.00 0.00 0.00 173.10 176.84 3g16 n ASP 138 N 2.31 -1.27 -4.71 1.64 8.00 -1.26 -4.25 116.55 117.00 3g16 n ASP 138 Ca 0.05 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.14 3g16 n ASP 138 Cb 0.42 -1.61 -0.04 0.00 -0.02 0.00 0.00 41.12 39.88 3g16 n ASP 138 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3g16 s PHE 139 N -2.09 3.60 -1.35 1.24 5.36 -1.22 -4.95 117.98 118.58 3g16 s PHE 139 Ca 0.00 1.51 -0.14 0.00 -0.96 0.00 0.00 56.93 57.34 3g16 s PHE 139 Cb 0.00 -3.02 0.09 0.00 -0.34 0.00 0.00 43.02 39.75 3g16 s PHE 139 CO 0.00 -0.01 1.93 -3.47 -1.46 0.00 0.00 175.22 172.21 3g16 n ASP 140 N 4.04 4.56 -0.15 6.13 2.03 -1.26 -4.79 116.55 127.11 3g16 n ASP 140 Ca 0.04 -2.93 -0.03 0.00 0.52 0.00 0.00 54.79 52.39 3g16 n ASP 140 Cb 0.51 -1.64 0.06 0.00 -0.72 0.00 0.00 41.12 39.32 3g16 n ASP 140 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3g16 h TYR 141 N 6.55 0.13 -0.14 -0.67 0.05 -1.93 -0.57 116.97 120.40 3g16 h TYR 141 Ca 0.47 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.28 3g16 h TYR 141 Cb 0.73 0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.48 3g16 h TYR 141 CO 1.37 -0.01 0.09 0.00 -1.05 0.00 0.00 178.16 178.56 3g16 h ALA 142 N 1.37 0.17 0.00 3.88 0.00 -1.87 -1.52 119.26 121.30 3g16 h ALA 142 Ca 0.24 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3g16 h ALA 142 Cb 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3g16 h ALA 142 CO -0.32 -0.33 -0.23 0.78 0.00 0.00 0.00 179.25 179.15 3g16 h GLY 143 N 0.17 0.00 -0.31 0.00 0.00 -1.85 -2.40 103.07 98.69 3g16 h GLY 143 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3g16 h GLY 143 CO -0.01 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.07 3g16 n ARG 144 N -3.44 1.57 -0.70 4.80 5.12 -0.25 -4.92 116.66 118.83 3g16 n ARG 144 Ca -0.00 -0.83 0.00 0.00 -1.93 0.00 0.00 57.85 55.09 3g16 n ARG 144 Cb 0.42 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.26 3g16 n ARG 144 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3g16 n GLY 145 N 1.13 0.65 3.83 -0.13 0.00 -0.90 -5.04 105.19 104.72 3g16 n GLY 145 Ca 0.19 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3g16 n GLY 145 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g16 s TYR 146 N -2.00 3.34 0.43 1.61 1.51 -0.60 -5.03 117.35 116.62 3g16 s TYR 146 Ca 0.00 1.56 -0.25 0.00 -1.01 0.00 0.00 57.07 57.37 3g16 s TYR 146 Cb 0.00 -2.82 -0.08 0.00 -0.11 0.00 0.00 41.96 38.95 3g16 s TYR 146 CO 0.00 -0.16 1.23 1.03 -1.11 0.00 0.00 175.55 176.54 3g16 s ARG 147 N -3.37 3.87 -0.11 -0.62 1.81 -1.26 -4.45 118.95 114.81 3g16 s ARG 147 Ca 0.61 1.96 0.04 0.00 -1.72 0.00 0.00 55.73 56.62 3g16 s ARG 147 Cb -0.09 -2.59 -0.10 0.00 -0.45 0.00 0.00 34.95 31.72 3g16 s ARG 147 CO 0.17 -0.51 -0.05 0.28 -0.68 0.00 0.00 175.30 174.51 3g16 n VAL 148 N -0.15 0.68 -4.40 3.52 0.31 -1.26 -4.95 118.33 112.08 3g16 n VAL 148 Ca 0.05 -0.33 -0.25 0.00 -0.01 0.00 0.00 64.34 63.81 3g16 n VAL 148 Cb 0.46 -0.86 -0.11 0.00 -0.91 0.00 0.00 33.84 32.42 3g16 n VAL 148 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3g16 s THR 149 N -2.24 2.19 0.16 2.52 -4.23 -1.26 -5.09 115.64 107.69 3g16 s THR 149 Ca -0.12 -2.06 -0.34 0.00 -1.18 0.00 0.00 61.69 57.99 3g16 s THR 149 Cb 0.04 -2.06 -0.14 0.00 1.34 0.00 0.00 72.50 71.67 3g16 s THR 149 CO 0.33 -0.23 1.53 -0.24 -0.54 0.00 0.00 174.62 175.46 3g16 n SER 150 N 0.12 2.87 0.17 3.99 2.88 -1.26 -4.85 113.62 117.54 3g16 n SER 150 Ca -0.11 1.09 0.10 0.00 -1.33 0.00 0.00 58.87 58.62 3g16 n SER 150 Cb 0.57 -1.40 0.54 0.00 -0.75 0.00 0.00 64.21 63.17 3g16 n SER 150 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3g16 n PRO 151 N 3.19 0.13 0.10 -1.46 -0.02 -1.26 -1.32 135.00 134.35 3g16 n PRO 151 Ca 0.17 0.62 0.13 0.00 -2.02 0.00 0.00 63.50 62.40 3g16 n PRO 151 Cb 0.28 -2.01 0.43 0.00 -0.02 0.00 0.00 33.50 32.17 3g16 n PRO 151 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3g16 n ARG 152 N -2.22 0.23 -3.32 -0.52 1.74 -1.26 -4.71 116.66 106.60 3g16 n ARG 152 Ca -0.01 0.23 -0.38 0.00 -0.77 0.00 0.00 57.85 56.91 3g16 n ARG 152 Cb 0.12 -1.79 -0.06 0.00 -1.02 0.00 0.00 32.46 29.71 3g16 n ARG 152 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3g16 s LYS 153 N -3.12 4.27 0.31 5.56 1.02 -0.44 -5.04 119.74 122.30 3g16 s LYS 153 Ca 0.10 0.38 -0.29 0.00 0.02 0.00 0.00 55.97 56.18 3g16 s LYS 153 Cb 0.12 -3.49 -0.13 0.00 -0.52 0.00 0.00 37.83 33.82 3g16 s LYS 153 CO 0.56 0.05 1.27 -2.30 -0.92 0.00 0.00 175.35 174.02 3g16 n PRO 154 N 4.10 1.99 0.00 -1.68 -0.02 -1.26 -4.90 135.00 133.22 3g16 n PRO 154 Ca -0.07 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3g16 n PRO 154 Cb 0.51 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3g16 n PRO 154 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48