#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g16 s THR 5 N 0.00 4.19 -0.05 0.52 2.01 -1.26 -4.82 115.64 116.23 3g16 s THR 5 Ca 0.00 1.66 -0.01 0.00 0.31 0.00 0.00 61.69 63.65 3g16 s THR 5 Cb 0.00 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.69 3g16 s THR 5 CO 0.00 -0.01 0.02 -0.22 -0.69 0.00 0.00 174.62 173.72 3g16 s LEU 6 N -2.46 0.62 0.58 4.42 2.96 -1.26 -5.04 118.68 118.49 3g16 s LEU 6 Ca 0.55 -0.01 -0.13 0.00 -0.22 0.00 0.00 54.13 54.31 3g16 s LEU 6 Cb -0.16 -0.28 -0.05 0.00 0.50 0.00 0.00 46.19 46.19 3g16 s LEU 6 CO 0.21 -0.18 1.01 -0.94 -1.32 0.00 0.00 176.35 175.13 3g16 s SER 7 N 1.75 6.38 0.22 3.68 1.04 -1.26 -4.80 113.70 120.71 3g16 s SER 7 Ca 0.01 1.48 -0.08 0.00 0.48 0.00 0.00 55.95 57.83 3g16 s SER 7 Cb -0.13 -2.49 0.25 0.00 0.10 0.00 0.00 66.02 63.76 3g16 s SER 7 CO -0.03 -0.76 1.83 -0.09 0.98 0.00 0.00 173.24 175.16 3g16 h ARG 8 N 0.16 0.80 -0.74 4.02 2.43 -1.95 -2.45 114.38 116.65 3g16 h ARG 8 Ca -0.45 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 58.63 3g16 h ARG 8 Cb 1.19 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 3g16 h ARG 8 CO 0.62 0.53 0.29 0.00 -1.51 0.00 0.00 179.97 179.90 3g16 h ALA 9 N 1.35 1.13 0.00 2.80 0.00 -2.00 -0.22 119.26 122.31 3g16 h ALA 9 Ca 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3g16 h ALA 9 Cb 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3g16 h ALA 9 CO -0.16 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.72 3g16 n ALA 10 N -2.44 1.70 0.00 0.00 0.00 -0.92 -1.30 120.51 117.54 3g16 n ALA 10 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3g16 n ALA 10 Cb 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 0.58 0.00 -0.21 0.00 2.13 -0.09 -2.27 120.64 120.78 3g16 n GLU 12 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 3g16 n GLU 12 Cb 0.13 0.00 0.04 0.00 0.27 0.00 0.00 31.44 31.88 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 0.82 -0.41 5.31 3.64 -1.46 -0.21 116.57 124.27 3g16 h LYS 13 Ca 0.00 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3g16 h LYS 13 Cb 0.00 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 3g16 h LYS 13 CO 0.00 0.58 0.20 0.28 -2.27 0.00 0.00 179.45 178.24 3g16 h VAL 14 N 0.82 1.17 -0.25 2.00 2.07 -1.73 -0.59 116.25 119.75 3g16 h VAL 14 Ca 0.22 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3g16 h VAL 14 Cb -0.04 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3g16 h VAL 14 CO -0.04 0.19 0.11 0.40 0.02 0.00 0.00 177.57 178.25 3g16 h ILE 15 N 0.52 1.15 -0.42 4.57 2.04 -1.78 -0.45 117.51 123.15 3g16 h ILE 15 Ca 0.14 -0.45 -0.10 0.00 1.00 0.00 0.00 64.86 65.45 3g16 h ILE 15 Cb 0.11 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3g16 h ILE 15 CO -0.02 0.15 -0.15 0.03 0.00 0.00 0.00 178.15 178.17 3g16 h ARG 16 N 0.26 0.77 -0.66 2.37 3.08 -0.97 -1.44 114.38 117.80 3g16 h ARG 16 Ca 0.08 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 3g16 h ARG 16 Cb 0.14 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3g16 h ARG 16 CO -0.01 0.88 0.30 1.15 -1.07 0.00 0.00 179.97 181.22 3g16 h THR 17 N 0.69 1.23 -0.02 2.04 2.02 -0.94 -0.72 112.91 117.22 3g16 h THR 17 Ca 0.11 -0.66 0.01 0.00 0.77 0.00 0.00 66.41 66.64 3g16 h THR 17 Cb 0.64 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3g16 h THR 17 CO 0.04 0.27 -0.04 0.22 0.37 0.00 0.00 175.52 176.39 3g16 h TYR 18 N 0.92 -0.09 -0.31 3.16 3.20 -0.74 0.36 116.97 123.47 3g16 h TYR 18 Ca 0.23 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.01 3g16 h TYR 18 Cb 0.14 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3g16 h TYR 18 CO 0.01 -0.06 -0.18 1.88 -1.64 0.00 0.00 178.16 178.17 3g16 h TYR 19 N -0.06 0.61 -0.63 -3.82 -1.99 -1.17 0.11 116.97 110.02 3g16 h TYR 19 Ca 0.02 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 3g16 h TYR 19 Cb 0.09 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.63 3g16 h TYR 19 CO -0.12 0.71 0.34 -0.44 -0.00 0.00 0.00 178.16 178.65 3g16 h ASP 20 N 0.50 0.79 -0.89 3.88 3.32 -0.82 -1.06 116.42 122.14 3g16 h ASP 20 Ca 0.08 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.07 3g16 h ASP 20 Cb 0.60 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 3g16 h ASP 20 CO 0.04 0.67 0.57 1.23 -1.72 0.00 0.00 179.24 180.03 3g16 h GLY 21 N 0.86 1.30 0.80 2.75 0.00 -0.16 0.60 103.07 109.23 3g16 h GLY 21 Ca 0.22 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 47.12 3g16 h GLY 21 CO -0.03 0.37 -0.15 0.00 0.00 0.00 0.00 176.54 176.72 3g16 h ASN 23 N -0.32 0.00 0.35 0.00 2.35 -0.61 -1.86 115.58 115.48 3g16 h ASN 23 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3g16 h ASN 23 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3g16 h ASN 23 CO -0.05 0.35 -0.14 -0.62 -1.65 0.00 0.00 177.43 175.33 3g16 n GLU 24 N -4.07 0.70 -3.93 0.81 1.02 0.15 -4.93 120.64 110.39 3g16 n GLU 24 Ca -0.02 -0.28 -0.31 0.00 -0.02 0.00 0.00 57.16 56.53 3g16 n GLU 24 Cb 0.40 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.34 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 -0.90 -1.27 -3.43 0.62 0.00 -0.30 -4.91 120.51 110.33 3g16 n ALA 25 Ca 0.14 0.18 -0.44 0.00 0.00 0.00 0.00 53.44 53.32 3g16 n ALA 25 Cb 0.29 -4.39 -0.06 0.00 0.00 0.00 0.00 19.45 15.30 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 -3.28 6.06 0.14 0.00 -1.08 -0.11 -4.88 116.67 113.52 3g16 s ASP 26 Ca 0.67 -2.07 -0.15 0.00 -0.52 0.00 0.00 52.55 50.48 3g16 s ASP 26 Cb -0.34 -2.12 0.01 0.00 -1.46 0.00 0.00 42.92 39.01 3g16 s ASP 26 CO 0.83 -0.72 1.68 -0.33 0.52 0.00 0.00 175.17 177.16 3g16 h GLU 27 N 8.40 0.66 -0.98 4.34 5.08 -1.88 -2.67 114.58 127.53 3g16 h GLU 27 Ca -0.17 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.10 3g16 h GLU 27 Cb 1.07 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.16 3g16 h GLU 27 CO 0.90 0.61 0.65 0.00 -1.00 0.00 0.00 179.01 180.17 3g16 h ALA 28 N 1.01 1.35 0.00 3.43 0.00 -1.98 0.52 119.26 123.60 3g16 h ALA 28 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3g16 h ALA 28 Cb 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3g16 h ALA 28 CO -0.01 0.56 0.00 1.17 0.00 0.00 0.00 179.25 180.97 3g16 n LYS 29 N -4.43 0.14 0.00 0.00 4.81 -1.01 -2.21 118.16 115.47 3g16 n LYS 29 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 3g16 n LYS 29 Cb 0.09 -1.06 0.00 0.00 0.02 0.00 0.00 35.03 34.07 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 0.29 0.00 0.46 3.15 5.41 0.17 -3.69 119.36 125.15 3g16 n ILE 31 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.81 3g16 n ILE 31 Cb 0.03 0.00 0.28 0.00 -0.71 0.00 0.00 39.64 39.25 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 1.61 1.28 -1.39 0.00 -0.94 -2.16 120.51 118.92 3g16 n ALA 32 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.52 3g16 n ALA 32 Cb 0.00 -1.21 0.37 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.30 1.83 0.50 0.00 0.08 -0.92 -0.94 117.98 116.23 3g16 s PHE 34 Ca 0.28 -0.46 -0.21 0.00 0.12 0.00 0.00 56.93 56.66 3g16 s PHE 34 Cb 0.20 -0.92 -0.07 0.00 -0.57 0.00 0.00 43.02 41.66 3g16 s PHE 34 CO 0.45 0.32 1.11 0.14 -0.10 0.00 0.00 175.22 177.14 3g16 s VAL 35 N -1.96 3.33 0.46 -0.44 -7.23 -0.48 -4.83 120.40 109.25 3g16 s VAL 35 Ca 0.15 0.88 0.18 0.00 -1.81 0.00 0.00 61.98 61.37 3g16 s VAL 35 Cb -0.06 -3.38 0.35 0.00 0.56 0.00 0.00 36.38 33.85 3g16 s VAL 35 CO 0.06 -0.13 1.98 -0.65 -0.31 0.00 0.00 175.10 176.05 3g16 h PRO 36 N 1.57 0.27 -0.64 4.82 0.11 -1.91 -1.82 132.00 134.40 3g16 h PRO 36 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3g16 h PRO 36 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3g16 h PRO 36 CO 0.58 0.18 0.00 -0.85 -0.21 0.00 0.00 178.00 177.70 3g16 n GLU 37 N -4.45 3.24 -1.72 1.05 0.00 -1.26 -1.37 120.64 116.13 3g16 n GLU 37 Ca 0.10 -2.13 -0.39 0.00 0.00 0.00 0.00 57.16 54.74 3g16 n GLU 37 Cb 0.46 -1.82 0.04 0.00 0.00 0.00 0.00 31.44 30.12 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 0.67 1.30 -2.67 -1.84 0.00 -0.68 -4.37 120.51 112.92 3g16 n ALA 38 Ca 0.19 0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.46 3g16 n ALA 38 Cb 0.76 -2.31 -0.16 0.00 0.00 0.00 0.00 19.45 17.74 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 -1.32 1.77 -0.18 0.00 1.01 -1.07 -0.12 120.40 120.49 3g16 s VAL 39 Ca 0.72 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 3g16 s VAL 39 Cb -0.43 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 3g16 s VAL 39 CO 0.49 0.50 -0.06 -2.28 0.00 0.00 0.00 175.10 173.75 3g16 s HIS 40 N -0.23 2.94 0.17 5.22 2.46 -0.19 -1.76 115.29 123.90 3g16 s HIS 40 Ca 0.00 -0.70 0.06 0.00 0.47 0.00 0.00 55.06 54.89 3g16 s HIS 40 Cb -0.11 -2.00 -0.04 0.00 -0.13 0.00 0.00 32.58 30.30 3g16 s HIS 40 CO 0.02 -0.33 0.11 0.71 -2.47 0.00 0.00 174.74 172.78 3g16 s TYR 41 N 0.91 3.09 0.16 3.88 2.02 0.54 -0.74 117.35 127.21 3g16 s TYR 41 Ca -0.01 -0.05 -0.03 0.00 -0.37 0.00 0.00 57.07 56.61 3g16 s TYR 41 Cb -0.15 -1.48 -0.03 0.00 -0.40 0.00 0.00 41.96 39.90 3g16 s TYR 41 CO 0.01 0.52 0.14 -0.06 -1.57 0.00 0.00 175.55 174.59 3g16 s PHE 42 N -1.77 0.81 0.29 2.71 0.08 -1.26 -1.53 117.98 117.31 3g16 s PHE 42 Ca 0.30 -1.14 -0.29 0.00 0.12 0.00 0.00 56.93 55.92 3g16 s PHE 42 Cb -0.10 -0.38 -0.13 0.00 -0.57 0.00 0.00 43.02 41.85 3g16 s PHE 42 CO 0.22 -0.61 1.32 -2.30 -0.10 0.00 0.00 175.22 173.75 3g16 n PRO 43 N -0.17 2.04 -1.71 0.24 -0.02 -1.24 -0.91 135.00 133.23 3g16 n PRO 43 Ca -0.04 0.72 -0.43 0.00 -2.02 0.00 0.00 63.50 61.73 3g16 n PRO 43 Cb 0.64 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 3g16 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g16 n ALA 44 N 1.02 1.75 -0.64 3.55 0.00 -0.03 -4.37 120.51 121.79 3g16 n ALA 44 Ca 0.08 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3g16 n ALA 44 Cb 0.34 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.44 3g16 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g16 n GLY 45 N 1.88 0.52 0.00 0.00 0.00 -1.26 -4.87 105.19 101.46 3g16 n GLY 45 Ca 0.09 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.50 0.00 -0.21 1.61 4.01 -1.26 -5.05 117.16 115.76 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 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 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 1.15 0.00 2.72 0.00 -1.26 -4.89 105.19 102.92 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 -2.00 0.85 3.79 -0.02 0.00 -1.26 -5.07 105.19 101.48 3g16 n GLY 49 Ca 0.00 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.29 2.78 -0.25 4.61 0.00 -1.26 -4.81 121.76 121.55 3g16 s ALA 50 Ca 0.00 0.63 -0.19 0.00 0.00 0.00 0.00 51.96 52.40 3g16 s ALA 50 Cb 0.00 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 3g16 s ALA 50 CO 0.00 -0.57 0.56 -0.06 0.00 0.00 0.00 175.76 175.69 3g16 s PHE 51 N -2.01 3.29 -0.35 0.00 0.08 0.08 -4.95 117.98 114.12 3g16 s PHE 51 Ca 0.68 0.74 -0.06 0.00 0.12 0.00 0.00 56.93 58.41 3g16 s PHE 51 Cb -0.19 -2.76 0.05 0.00 -0.57 0.00 0.00 43.02 39.55 3g16 s PHE 51 CO 0.26 -0.27 0.11 1.03 -0.10 0.00 0.00 175.22 176.25 3g16 s ARG 52 N 2.28 2.58 0.00 0.44 0.52 -1.26 -1.02 118.95 122.48 3g16 s ARG 52 Ca 0.24 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.21 3g16 s ARG 52 Cb -0.16 -3.47 0.00 0.00 0.52 0.00 0.00 34.95 31.84 3g16 s ARG 52 CO 0.09 -0.70 0.00 0.41 0.02 0.00 0.00 175.30 175.12 3g16 n GLY 53 N 4.80 2.62 0.25 -3.53 0.00 0.83 -4.51 105.19 105.65 3g16 n GLY 53 Ca -0.12 -1.64 -0.01 0.00 0.00 0.00 0.00 46.02 44.26 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 0.88 -0.90 4.61 0.00 -1.31 -1.57 119.26 120.97 3g16 h ALA 54 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3g16 h ALA 54 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3g16 h ALA 54 CO 0.00 -0.01 0.49 0.00 0.00 0.00 0.00 179.25 179.73 3g16 h ALA 55 N 1.37 1.16 -0.34 0.00 0.00 -1.89 -1.34 119.26 118.21 3g16 h ALA 55 Ca 0.31 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3g16 h ALA 55 Cb 0.25 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3g16 h ALA 55 CO -0.21 0.67 -0.02 0.37 0.00 0.00 0.00 179.25 180.06 3g16 h GLN 56 N 1.27 0.61 -0.26 0.00 4.15 -1.61 -1.02 115.11 118.25 3g16 h GLN 56 Ca 0.32 -0.20 0.05 0.00 0.77 0.00 0.00 58.65 59.58 3g16 h GLN 56 Cb 0.04 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.63 3g16 h GLN 56 CO -0.05 0.75 -0.03 0.82 -1.93 0.00 0.00 178.83 178.39 3g16 h ILE 57 N 0.41 0.78 -0.61 2.39 2.04 -1.01 -1.16 117.51 120.36 3g16 h ILE 57 Ca 0.09 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.87 3g16 h ILE 57 Cb 0.48 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3g16 h ILE 57 CO 0.02 0.01 0.10 0.00 0.00 0.00 0.00 178.15 178.27 3g16 h ALA 58 N 1.24 0.81 -0.79 1.87 0.00 -1.14 -2.11 119.26 119.14 3g16 h ALA 58 Ca 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3g16 h ALA 58 Cb 0.17 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3g16 h ALA 58 CO -0.23 0.57 0.38 1.25 0.00 0.00 0.00 179.25 181.22 3g16 h HIS 59 N 0.92 1.14 -0.47 0.00 -0.00 -0.95 -1.04 115.15 114.75 3g16 h HIS 59 Ca 0.18 -0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.49 3g16 h HIS 59 Cb 0.43 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.46 3g16 h HIS 59 CO 0.03 0.83 0.27 0.00 -0.00 0.00 0.00 177.93 179.06 3g16 h ARG 60 N 1.12 0.65 -0.34 5.26 2.47 -0.85 -0.80 114.38 121.89 3g16 h ARG 60 Ca 0.27 -0.07 -0.14 0.00 -1.26 0.00 0.00 59.98 58.78 3g16 h ARG 60 Cb 0.12 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 3g16 h ARG 60 CO -0.03 0.51 -0.34 -1.49 0.56 0.00 0.00 179.97 179.17 3g16 h TRP 61 N 0.62 0.91 -0.46 3.04 -0.00 -1.20 -1.31 115.95 117.55 3g16 h TRP 61 Ca 0.17 -0.25 0.01 0.00 -0.00 0.00 0.00 58.89 58.82 3g16 h TRP 61 Cb 0.04 -0.20 -0.03 0.00 -0.00 0.00 0.00 29.16 28.97 3g16 h TRP 61 CO -0.02 1.00 0.29 -0.09 -0.00 0.00 0.00 178.44 179.62 3g16 h ARG 62 N 0.65 0.57 -0.97 0.49 2.43 -0.96 -1.41 114.38 115.17 3g16 h ARG 62 Ca 0.07 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3g16 h ARG 62 Cb 0.88 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.25 3g16 h ARG 62 CO 0.08 0.38 0.64 1.15 -1.51 0.00 0.00 179.97 180.70 3g16 h THR 63 N 0.58 1.21 -0.45 0.20 2.02 -0.92 -1.62 112.91 113.94 3g16 h THR 63 Ca 0.18 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 3g16 h THR 63 Cb -0.03 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.19 3g16 h THR 63 CO -0.06 0.23 0.22 0.00 0.37 0.00 0.00 175.52 176.28 3g16 h ALA 64 N 1.37 0.57 -0.44 6.16 0.00 -0.78 0.67 119.26 126.82 3g16 h ALA 64 Ca 0.37 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3g16 h ALA 64 Cb -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3g16 h ALA 64 CO -0.10 0.13 0.26 0.28 0.00 0.00 0.00 179.25 179.83 3g16 h VAL 65 N 0.58 1.14 -0.31 0.00 2.07 -0.89 0.32 116.25 119.17 3g16 h VAL 65 Ca 0.15 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 3g16 h VAL 65 Cb 0.11 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3g16 h VAL 65 CO -0.02 0.14 -0.21 -0.33 0.02 0.00 0.00 177.57 177.17 3g16 h GLU 66 N 0.58 0.57 0.06 1.57 5.08 -0.93 -0.78 114.58 120.74 3g16 h GLU 66 Ca 0.16 -0.21 -0.35 0.00 -1.00 0.00 0.00 59.36 57.96 3g16 h GLU 66 Cb 0.00 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 3g16 h GLU 66 CO -0.03 0.75 -2.00 0.25 -1.00 0.00 0.00 179.01 176.98 3g16 n THR 67 N -4.14 1.65 0.59 1.13 -2.24 0.19 -4.58 114.28 106.89 3g16 n THR 67 Ca 0.00 -0.48 0.09 0.00 -2.27 0.00 0.00 64.05 61.39 3g16 n THR 67 Cb 0.39 -1.75 -0.12 0.00 -2.10 0.00 0.00 70.33 66.76 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 -3.71 0.59 -1.07 3.22 4.77 0.11 -4.91 117.00 116.00 3g16 n LEU 68 Ca -0.37 -0.34 -0.11 0.00 -0.03 0.00 0.00 56.01 55.16 3g16 n LEU 68 Cb 0.94 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.01 3g16 n LEU 68 CO 0.31 0.15 -0.12 0.61 -1.33 0.00 0.00 177.39 177.00 3g16 n GLY 69 N 1.43 0.45 3.56 -0.72 0.00 -0.30 -0.36 105.19 109.25 3g16 n GLY 69 Ca 0.01 -0.47 -0.48 0.00 0.00 0.00 0.00 46.02 45.08 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 0.05 0.95 -3.81 1.61 7.64 -1.20 -3.55 113.62 115.31 3g16 n SER 70 Ca -0.12 1.15 -0.13 0.00 1.01 0.00 0.00 58.87 60.78 3g16 n SER 70 Cb 0.50 -1.19 -0.15 0.00 -1.01 0.00 0.00 64.21 62.36 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 -0.55 -0.04 -0.10 1.43 6.14 -0.53 -4.65 117.35 119.05 3g16 s TYR 71 Ca 0.68 0.19 0.02 0.00 0.64 0.00 0.00 57.07 58.60 3g16 s TYR 71 Cb -0.83 -0.09 -0.01 0.00 0.42 0.00 0.00 41.96 41.44 3g16 s TYR 71 CO 0.55 -0.07 -0.17 -1.58 0.64 0.00 0.00 175.55 174.92 3g16 s TRP 72 N 0.60 2.70 0.01 4.97 0.51 -1.26 -0.75 118.94 125.72 3g16 s TRP 72 Ca -0.05 -0.63 0.02 0.00 -2.12 0.00 0.00 56.10 53.32 3g16 s TRP 72 Cb -0.07 -1.75 -0.04 0.00 -0.81 0.00 0.00 33.47 30.81 3g16 s TRP 72 CO -0.02 -0.17 -0.00 0.95 -0.51 0.00 0.00 176.95 177.19 3g16 s THR 73 N 0.08 4.12 -0.44 2.01 -4.23 -0.49 -4.93 115.64 111.76 3g16 s THR 73 Ca -0.07 -0.65 -0.20 0.00 -1.18 0.00 0.00 61.69 59.58 3g16 s THR 73 Cb -0.15 -2.85 0.02 0.00 1.34 0.00 0.00 72.50 70.86 3g16 s THR 73 CO 0.05 0.35 0.61 -0.63 -0.54 0.00 0.00 174.62 174.46 3g16 s ILE 74 N -1.11 4.87 -0.13 2.99 1.01 -1.26 -2.09 121.20 125.48 3g16 s ILE 74 Ca 0.20 0.02 0.17 0.00 0.00 0.00 0.00 60.65 61.04 3g16 s ILE 74 Cb -0.12 -4.18 -0.23 0.00 0.01 0.00 0.00 42.46 37.94 3g16 s ILE 74 CO 0.11 -0.58 0.40 0.47 0.00 0.00 0.00 174.94 175.34 3g16 n ASP 75 N 6.16 0.38 -3.69 3.58 8.00 0.89 -4.95 116.55 126.92 3g16 n ASP 75 Ca -0.03 0.18 -0.15 0.00 0.71 0.00 0.00 54.79 55.50 3g16 n ASP 75 Cb 0.48 0.67 -0.08 0.00 -0.02 0.00 0.00 41.12 42.17 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 -2.70 -1.08 -0.12 2.24 0.00 -0.99 -4.96 121.76 114.15 3g16 s ALA 76 Ca -0.07 0.62 -0.04 0.00 0.00 0.00 0.00 51.96 52.47 3g16 s ALA 76 Cb 0.08 0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.32 3g16 s ALA 76 CO 0.83 -0.30 0.14 -1.17 0.00 0.00 0.00 175.76 175.26 3g16 s LEU 77 N -1.31 0.05 -0.24 0.00 2.96 -1.26 -1.23 118.68 117.65 3g16 s LEU 77 Ca -0.13 -0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.71 3g16 s LEU 77 Cb -0.04 0.10 0.02 0.00 0.50 0.00 0.00 46.19 46.77 3g16 s LEU 77 CO 0.06 -0.29 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.05 3g16 s VAL 78 N 2.24 2.98 -0.10 1.68 1.01 -0.09 -5.00 120.40 123.12 3g16 s VAL 78 Ca 0.04 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.15 3g16 s VAL 78 Cb -0.14 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.79 3g16 s VAL 78 CO -0.07 0.26 -0.16 -0.63 0.00 0.00 0.00 175.10 174.50 3g16 s ILE 79 N 1.36 1.50 -0.43 2.22 1.01 -1.26 -0.09 121.20 125.52 3g16 s ILE 79 Ca 0.02 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 3g16 s ILE 79 Cb -0.16 -1.36 0.11 0.00 0.01 0.00 0.00 42.46 41.06 3g16 s ILE 79 CO -0.04 0.44 0.26 -0.62 0.00 0.00 0.00 174.94 174.97 3g16 s ASP 80 N 0.86 5.47 0.52 3.58 -1.08 0.45 -4.95 116.67 121.53 3g16 s ASP 80 Ca -0.09 -1.87 0.31 0.00 -0.52 0.00 0.00 52.55 50.38 3g16 s ASP 80 Cb -0.15 -1.92 1.16 0.00 -1.46 0.00 0.00 42.92 40.54 3g16 s ASP 80 CO 0.01 -0.59 1.91 0.00 0.52 0.00 0.00 175.17 177.01 3g16 h ALA 81 N 8.26 1.00 0.02 3.66 0.00 -1.87 -0.31 119.26 130.03 3g16 h ALA 81 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.51 3g16 h ALA 81 Cb 1.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3g16 h ALA 81 CO 0.76 0.00 -0.96 0.93 0.00 0.00 0.00 179.25 179.99 3g16 h GLU 82 N 0.00 0.22 -0.02 0.00 4.39 -1.92 -3.34 114.58 113.91 3g16 h GLU 82 Ca 0.00 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.44 3g16 h GLU 82 Cb 0.60 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 3g16 h GLU 82 CO 0.00 1.02 -0.19 0.25 -1.16 0.00 0.00 179.01 178.93 3g16 n THR 83 N -3.62 0.00 -3.62 1.13 -2.24 -1.10 -4.98 114.28 99.85 3g16 n THR 83 Ca -0.04 -0.41 -0.23 0.00 -2.27 0.00 0.00 64.05 61.10 3g16 n THR 83 Cb 0.86 1.25 0.07 0.00 -2.10 0.00 0.00 70.33 70.41 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 0.32 -1.60 -2.35 6.98 0.00 -0.15 -4.91 120.51 118.81 3g16 n ALA 84 Ca 0.08 0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.55 3g16 n ALA 84 Cb 0.36 -4.03 -0.10 0.00 0.00 0.00 0.00 19.45 15.68 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 -6.06 0.91 0.14 0.00 2.02 -1.09 -1.85 118.70 112.78 3g16 s GLU 85 Ca 0.36 -1.28 -0.06 0.00 0.02 0.00 0.00 54.97 54.01 3g16 s GLU 85 Cb -0.17 -0.50 -0.02 0.00 0.10 0.00 0.00 34.13 33.55 3g16 s GLU 85 CO 0.76 0.06 0.18 0.00 0.02 0.00 0.00 175.26 176.28 3g16 s ALA 86 N -2.94 0.32 0.01 5.21 0.00 -0.25 -0.41 121.76 123.71 3g16 s ALA 86 Ca 0.10 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.99 3g16 s ALA 86 Cb 0.00 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 3g16 s ALA 86 CO -0.01 -0.57 -0.07 0.00 0.00 0.00 0.00 175.76 175.12 3g16 s ALA 87 N -3.99 0.56 -0.08 0.00 0.00 0.88 -0.19 121.76 118.95 3g16 s ALA 87 Ca 0.18 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.69 3g16 s ALA 87 Cb 0.05 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.12 3g16 s ALA 87 CO -0.01 0.08 -0.11 0.42 0.00 0.00 0.00 175.76 176.14 3g16 s ILE 88 N -0.61 1.11 -0.19 0.00 1.01 0.02 -0.92 121.20 121.61 3g16 s ILE 88 Ca -0.02 -0.43 -0.16 0.00 0.00 0.00 0.00 60.65 60.04 3g16 s ILE 88 Cb -0.05 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 3g16 s ILE 88 CO 0.00 0.36 0.41 -0.70 0.00 0.00 0.00 174.94 175.01 3g16 s GLU 89 N 0.95 4.19 0.16 2.79 2.12 -0.36 -0.50 118.70 128.04 3g16 s GLU 89 Ca -0.09 0.23 0.01 0.00 0.36 0.00 0.00 54.97 55.48 3g16 s GLU 89 Cb -0.15 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 3g16 s GLU 89 CO 0.00 -0.02 0.00 1.67 -0.54 0.00 0.00 175.26 176.38 3g16 s TRP 90 N 1.24 1.12 -0.05 5.30 1.48 -0.15 -0.08 118.94 127.80 3g16 s TRP 90 Ca 0.20 -1.04 0.03 0.00 -1.06 0.00 0.00 56.10 54.23 3g16 s TRP 90 Cb -0.15 -0.64 0.00 0.00 -1.16 0.00 0.00 33.47 31.53 3g16 s TRP 90 CO 0.08 -0.26 -0.15 0.99 -4.06 0.00 0.00 176.95 173.56 3g16 s THR 91 N -3.72 1.27 -0.40 0.66 2.01 -0.89 -1.49 115.64 113.09 3g16 s THR 91 Ca 0.23 -0.60 -0.09 0.00 0.31 0.00 0.00 61.69 61.54 3g16 s THR 91 Cb 0.06 -1.12 0.06 0.00 0.01 0.00 0.00 72.50 71.51 3g16 s THR 91 CO 0.03 0.38 0.22 -2.28 -0.69 0.00 0.00 174.62 172.27 3g16 s HIS 92 N 0.32 3.31 -0.47 4.92 5.04 0.13 -1.40 115.29 127.15 3g16 s HIS 92 Ca -0.09 -1.43 -0.23 0.00 -1.54 0.00 0.00 55.06 51.77 3g16 s HIS 92 Cb -0.13 -2.74 0.03 0.00 0.04 0.00 0.00 32.58 29.77 3g16 s HIS 92 CO 0.03 -0.79 0.81 -0.06 -2.34 0.00 0.00 174.74 172.39 3g16 s PHE 93 N 1.44 2.96 -1.24 3.88 0.08 0.07 -1.10 117.98 124.07 3g16 s PHE 93 Ca 0.02 0.12 -0.12 0.00 0.12 0.00 0.00 56.93 57.07 3g16 s PHE 93 Cb -0.22 -3.74 0.16 0.00 -0.57 0.00 0.00 43.02 38.66 3g16 s PHE 93 CO 0.03 -1.05 1.62 1.63 -0.10 0.00 0.00 175.22 177.35 3g16 n LYS 94 N 6.83 3.45 -0.19 0.44 5.02 0.30 -1.45 118.16 132.56 3g16 n LYS 94 Ca 0.02 -3.70 -0.00 0.00 -2.02 0.00 0.00 58.31 52.61 3g16 n LYS 94 Cb 0.48 -3.02 0.10 0.00 -0.02 0.00 0.00 35.03 32.57 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 4.33 0.65 0.00 -0.18 2.02 -1.50 -0.98 112.91 117.25 3g16 h THR 95 Ca 0.35 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.44 3g16 h THR 95 Cb 0.78 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3g16 h THR 95 CO 1.40 0.04 -0.04 0.78 0.37 0.00 0.00 175.52 178.07 3g16 h ASN 96 N 0.24 0.00 -0.02 4.18 2.35 -0.95 -1.96 115.58 119.41 3g16 h ASN 96 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 3g16 h ASN 96 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3g16 h ASN 96 CO -0.39 0.04 -0.15 0.00 -1.65 0.00 0.00 177.43 175.28 3g16 n GLN 97 N -3.19 1.83 -3.86 0.81 6.02 -0.42 -4.98 117.38 113.59 3g16 n GLN 97 Ca -0.00 -1.53 -0.28 0.00 -0.01 0.00 0.00 57.00 55.18 3g16 n GLN 97 Cb 0.27 -1.43 0.03 0.00 1.02 0.00 0.00 30.24 30.13 3g16 n GLN 97 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3g16 n ASP 98 N 0.81 -3.88 -4.34 1.08 8.00 -0.74 -5.00 116.55 112.48 3g16 n ASP 98 Ca 0.11 -0.79 -0.25 0.00 0.71 0.00 0.00 54.79 54.58 3g16 n ASP 98 Cb 0.52 -3.94 -0.12 0.00 -0.02 0.00 0.00 41.12 37.56 3g16 n ASP 98 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3g16 s LYS 99 N -6.46 1.28 -0.05 -1.24 1.02 -1.06 -5.04 119.74 108.19 3g16 s LYS 99 Ca 0.49 -1.32 0.02 0.00 0.02 0.00 0.00 55.97 55.19 3g16 s LYS 99 Cb -0.24 -1.54 0.01 0.00 -0.52 0.00 0.00 37.83 35.53 3g16 s LYS 99 CO 0.82 0.35 -0.11 0.08 -0.92 0.00 0.00 175.35 175.57 3g16 s VAL 100 N -1.45 1.02 -0.11 3.17 1.01 -1.26 -0.54 120.40 122.24 3g16 s VAL 100 Ca 0.12 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.67 3g16 s VAL 100 Cb -0.09 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.39 3g16 s VAL 100 CO 0.06 0.32 -0.12 -0.22 0.00 0.00 0.00 175.10 175.15 3g16 s LEU 101 N 0.48 1.50 0.23 3.92 2.96 -0.25 -5.00 118.68 122.52 3g16 s LEU 101 Ca -0.10 -0.38 0.08 0.00 -0.22 0.00 0.00 54.13 53.51 3g16 s LEU 101 Cb -0.13 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 3g16 s LEU 101 CO 0.02 -0.05 0.08 -0.13 -1.32 0.00 0.00 176.35 174.96 3g16 s ARG 102 N 1.33 2.61 0.00 1.98 0.52 -1.26 0.17 118.95 124.30 3g16 s ARG 102 Ca -0.01 -1.17 0.00 0.00 -0.52 0.00 0.00 55.73 54.03 3g16 s ARG 102 Cb -0.14 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 32.94 3g16 s ARG 102 CO -0.06 0.41 0.00 0.41 0.02 0.00 0.00 175.30 176.08 3g16 n GLY 103 N -0.81 0.76 3.13 -3.53 0.00 -0.55 -0.47 105.19 103.71 3g16 n GLY 103 Ca -0.08 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.07 -0.01 4.61 0.00 -0.45 -0.98 121.76 123.86 3g16 s ALA 104 Ca 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 3g16 s ALA 104 Cb 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 23.12 23.39 3g16 s ALA 104 CO 0.00 -0.34 0.08 -1.83 0.00 0.00 0.00 175.76 173.67 3g16 s GLU 105 N -2.78 0.28 0.06 0.00 -1.05 0.34 -0.34 118.70 115.22 3g16 s GLU 105 Ca -0.04 -0.23 -0.15 0.00 -0.15 0.00 0.00 54.97 54.41 3g16 s GLU 105 Cb -0.00 0.11 -0.06 0.00 -0.44 0.00 0.00 34.13 33.74 3g16 s GLU 105 CO -0.05 -0.06 0.47 0.00 0.95 0.00 0.00 175.26 176.57 3g16 s VAL 107 N -1.22 1.02 -0.11 0.00 1.01 0.74 -0.78 120.40 121.05 3g16 s VAL 107 Ca 0.29 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 3g16 s VAL 107 Cb -0.16 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3g16 s VAL 107 CO 0.16 0.33 -0.03 -1.61 0.00 0.00 0.00 175.10 173.96 3g16 s GLU 108 N 0.85 3.26 0.11 2.72 2.02 -0.29 -1.09 118.70 126.27 3g16 s GLU 108 Ca -0.11 -0.49 0.01 0.00 0.02 0.00 0.00 54.97 54.39 3g16 s GLU 108 Cb -0.15 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 3g16 s GLU 108 CO 0.02 0.48 0.26 -0.06 0.02 0.00 0.00 175.26 175.98 3g16 s PHE 109 N -0.29 3.50 -0.30 1.61 0.40 -0.77 -0.67 117.98 121.45 3g16 s PHE 109 Ca 0.05 0.23 -0.19 0.00 -0.60 0.00 0.00 56.93 56.42 3g16 s PHE 109 Cb -0.12 -1.75 -0.01 0.00 0.51 0.00 0.00 43.02 41.65 3g16 s PHE 109 CO 0.02 0.54 0.58 0.34 0.70 0.00 0.00 175.22 177.40 3g16 s ASP 110 N -2.82 6.45 0.27 1.36 2.15 0.40 -4.77 116.67 119.71 3g16 s ASP 110 Ca 0.35 0.36 -0.02 0.00 0.43 0.00 0.00 52.55 53.68 3g16 s ASP 110 Cb -0.12 -2.31 0.37 0.00 -0.30 0.00 0.00 42.92 40.56 3g16 s ASP 110 CO 0.28 -0.44 1.82 0.03 -0.17 0.00 0.00 175.17 176.69 3g16 h ARG 111 N 8.20 0.86 -0.82 4.34 3.08 -1.88 0.43 114.38 128.59 3g16 h ARG 111 Ca -0.27 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.58 3g16 h ARG 111 Cb 1.12 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.01 3g16 h ARG 111 CO 0.78 0.77 0.45 0.00 -1.07 0.00 0.00 179.97 180.90 3g16 h ALA 112 N 1.32 1.05 0.00 0.04 0.00 -1.94 -3.18 119.26 116.55 3g16 h ALA 112 Ca 0.18 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 3g16 h ALA 112 Cb 0.29 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3g16 h ALA 112 CO -0.00 0.56 -1.88 -1.13 0.00 0.00 0.00 179.25 176.80 3g16 n SER 113 N -4.40 0.29 -0.17 0.00 3.41 -1.18 -4.97 113.62 106.60 3g16 n SER 113 Ca 0.08 0.12 -0.02 0.00 -0.26 0.00 0.00 58.87 58.79 3g16 n SER 113 Cb 0.10 1.13 -0.01 0.00 -0.26 0.00 0.00 64.21 65.16 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 1.42 0.56 3.81 5.00 0.00 0.13 -5.03 105.19 111.09 3g16 n GLY 114 Ca -0.13 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.50 3.47 0.15 0.99 1.43 -1.20 -4.88 118.68 118.14 3g16 s LEU 115 Ca 0.00 -0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 52.20 3g16 s LEU 115 Cb 0.00 -2.03 -0.07 0.00 0.03 0.00 0.00 46.19 44.12 3g16 s LEU 115 CO 0.00 -0.33 1.18 -0.63 0.23 0.00 0.00 176.35 176.80 3g16 s ILE 116 N -2.35 3.75 -0.03 -0.59 1.01 -0.12 -0.45 121.20 122.42 3g16 s ILE 116 Ca 0.40 1.41 0.09 0.00 0.00 0.00 0.00 60.65 62.55 3g16 s ILE 116 Cb -0.04 -3.90 -0.14 0.00 0.01 0.00 0.00 42.46 38.38 3g16 s ILE 116 CO 0.25 0.19 0.21 -2.11 0.00 0.00 0.00 174.94 173.49 3g16 n ARG 117 N 2.91 0.45 -3.59 2.79 1.85 0.15 -1.38 116.66 119.84 3g16 n ARG 117 Ca 0.05 -0.08 -0.15 0.00 -1.00 0.00 0.00 57.85 56.67 3g16 n ARG 117 Cb 0.45 -1.21 -0.07 0.00 -1.05 0.00 0.00 32.46 30.59 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 -2.62 0.88 -0.04 2.89 2.12 -1.13 -2.60 118.70 118.21 3g16 s GLU 118 Ca -0.03 0.67 0.02 0.00 0.36 0.00 0.00 54.97 55.99 3g16 s GLU 118 Cb 0.06 0.42 0.01 0.00 0.26 0.00 0.00 34.13 34.89 3g16 s GLU 118 CO 0.39 -0.18 -0.08 0.42 -0.54 0.00 0.00 175.26 175.27 3g16 s ILE 119 N -0.25 0.75 -0.22 -3.70 1.01 -0.72 -1.14 121.20 116.92 3g16 s ILE 119 Ca -0.04 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.33 3g16 s ILE 119 Cb -0.03 -0.70 0.05 0.00 0.01 0.00 0.00 42.46 41.79 3g16 s ILE 119 CO 0.04 0.25 -0.11 -0.13 0.00 0.00 0.00 174.94 174.99 3g16 s ARG 120 N 0.50 2.14 0.01 2.79 0.52 0.04 -0.34 118.95 124.62 3g16 s ARG 120 Ca -0.08 -1.05 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 3g16 s ARG 120 Cb -0.12 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 3g16 s ARG 120 CO 0.01 -0.48 0.08 0.00 0.02 0.00 0.00 175.30 174.93 3g16 s ALA 121 N 1.28 3.57 0.08 2.13 0.00 -0.58 -0.56 121.76 127.67 3g16 s ALA 121 Ca -0.04 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.06 3g16 s ALA 121 Cb -0.18 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 3g16 s ALA 121 CO -0.07 0.70 -0.11 -0.06 0.00 0.00 0.00 175.76 176.22 3g16 s PHE 122 N -1.23 1.03 0.15 0.00 0.08 0.54 -3.60 117.98 114.95 3g16 s PHE 122 Ca 0.24 -0.57 0.11 0.00 0.12 0.00 0.00 56.93 56.83 3g16 s PHE 122 Cb -0.12 -0.58 -0.04 0.00 -0.57 0.00 0.00 43.02 41.71 3g16 s PHE 122 CO 0.15 0.00 -0.24 0.71 -0.10 0.00 0.00 175.22 175.74 3g16 s TYR 123 N -1.89 2.19 -1.58 0.36 2.02 -1.26 -1.35 117.35 115.84 3g16 s TYR 123 Ca 0.00 -0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 56.22 3g16 s TYR 123 Cb -0.06 -1.15 -0.06 0.00 -0.40 0.00 0.00 41.96 40.29 3g16 s TYR 123 CO 0.01 0.38 2.86 0.00 -1.57 0.00 0.00 175.55 177.23 3g16 n ALA 124 N 0.66 7.40 -2.57 3.71 0.00 0.38 -4.85 120.51 125.24 3g16 n ALA 124 Ca -0.16 -3.61 -0.26 0.00 0.00 0.00 0.00 53.44 49.41 3g16 n ALA 124 Cb 0.54 -3.31 -0.16 0.00 0.00 0.00 0.00 19.45 16.53 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 2.00 2.15 0.73 0.00 0.15 -1.26 -4.82 113.70 112.65 3g16 s SER 125 Ca 0.67 -0.34 -0.14 0.00 0.70 0.00 0.00 55.95 56.84 3g16 s SER 125 Cb 0.18 -0.32 0.04 0.00 -1.71 0.00 0.00 66.02 64.21 3g16 s SER 125 CO -0.07 0.21 1.15 -2.16 1.20 0.00 0.00 173.24 173.58 3g16 s PRO 126 N -0.33 2.26 0.10 5.44 0.04 -1.26 -4.91 135.00 136.34 3g16 s PRO 126 Ca 0.05 1.54 -0.34 0.00 0.04 0.00 0.00 61.00 62.28 3g16 s PRO 126 Cb -0.08 -1.87 -0.14 0.00 0.04 0.00 0.00 34.50 32.45 3g16 s PRO 126 CO -0.00 -1.69 1.60 1.04 0.04 0.00 0.00 177.00 177.99 3g16 n GLN 127 N -2.87 1.99 -2.29 4.56 6.02 -1.26 -4.92 117.38 118.61 3g16 n GLN 127 Ca 0.12 0.72 -0.41 0.00 -0.01 0.00 0.00 57.00 57.41 3g16 n GLN 127 Cb 0.51 -2.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.26 3g16 n GLN 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3g16 s ALA 128 N 1.46 3.49 0.39 -1.58 0.00 -1.26 -4.98 121.76 119.28 3g16 s ALA 128 Ca 0.82 1.04 -0.25 0.00 0.00 0.00 0.00 51.96 53.57 3g16 s ALA 128 Cb -0.73 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 18.85 3g16 s ALA 128 CO 0.42 -0.47 1.14 -1.21 0.00 0.00 0.00 175.76 175.65 3g16 s GLU 129 N -0.12 4.11 -0.36 0.00 0.41 -1.26 -3.64 118.70 117.84 3g16 s GLU 129 Ca 0.55 1.77 0.00 0.00 -0.41 0.00 0.00 54.97 56.89 3g16 s GLU 129 Cb -0.35 -2.68 0.00 0.00 -1.78 0.00 0.00 34.13 29.32 3g16 s GLU 129 CO 0.37 -0.25 0.00 0.41 -0.49 0.00 0.00 175.26 175.30 3g16 n GLY 130 N 0.61 0.62 3.37 -1.39 0.00 -1.26 -5.00 105.19 102.14 3g16 n GLY 130 Ca 0.04 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.95 3.72 0.19 -0.61 -1.09 -1.24 -5.01 121.20 115.20 3g16 s ILE 131 Ca 0.00 -0.38 -0.03 0.00 -2.23 0.00 0.00 60.65 58.01 3g16 s ILE 131 Cb 0.00 -2.71 -0.07 0.00 -1.58 0.00 0.00 42.46 38.10 3g16 s ILE 131 CO 0.00 0.40 1.48 0.00 -1.23 0.00 0.00 174.94 175.59 3g16 h ALA 132 N 8.07 0.66 -3.58 9.38 0.00 -1.94 -3.41 119.26 128.44 3g16 h ALA 132 Ca -0.40 -0.53 -0.60 0.00 0.00 0.00 0.00 54.91 53.38 3g16 h ALA 132 Cb 1.17 -0.08 -0.38 0.00 0.00 0.00 0.00 17.79 18.50 3g16 h ALA 132 CO 0.60 0.70 -0.79 1.03 0.00 0.00 0.00 179.25 180.79 3g16 s ARG 133 N -3.91 1.56 -0.50 0.00 0.52 -1.26 -5.07 118.95 110.30 3g16 s ARG 133 Ca -0.07 -0.91 -0.11 0.00 -0.52 0.00 0.00 55.73 54.12 3g16 s ARG 133 Cb 0.11 -2.51 0.12 0.00 0.52 0.00 0.00 34.95 33.19 3g16 s ARG 133 CO 0.84 -0.58 0.39 -0.51 0.02 0.00 0.00 175.30 175.46 3g16 s LEU 134 N 1.44 5.84 0.34 2.53 1.43 -1.26 -5.01 118.68 123.99 3g16 s LEU 134 Ca -0.05 -1.91 -0.08 0.00 -1.03 0.00 0.00 54.13 51.06 3g16 s LEU 134 Cb -0.18 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 43.99 3g16 s LEU 134 CO -0.06 -0.73 0.56 -1.83 0.23 0.00 0.00 176.35 174.51 3g16 s GLU 135 N 1.38 1.93 0.29 1.70 -1.05 -1.26 -5.04 118.70 116.65 3g16 s GLU 135 Ca 0.05 -1.58 -0.29 0.00 -0.15 0.00 0.00 54.97 53.00 3g16 s GLU 135 Cb -0.27 0.50 -0.10 0.00 -0.44 0.00 0.00 34.13 33.82 3g16 s GLU 135 CO -0.00 -0.83 1.28 -0.51 0.95 0.00 0.00 175.26 176.15 3g16 s LEU 136 N -3.15 4.44 0.28 1.83 1.43 -1.26 -0.85 118.68 121.40 3g16 s LEU 136 Ca 0.25 2.56 -0.29 0.00 -1.03 0.00 0.00 54.13 55.62 3g16 s LEU 136 Cb -0.02 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.47 3g16 s LEU 136 CO 0.16 -0.48 1.17 -0.83 0.23 0.00 0.00 176.35 176.60 3g16 s GLY 137 N -0.34 3.00 -0.67 -3.19 0.00 -0.09 -3.65 107.32 102.37 3g16 s GLY 137 Ca 0.50 1.00 0.00 0.00 0.00 0.00 0.00 44.72 46.22 3g16 s GLY 137 CO 0.48 1.66 0.00 1.22 0.00 0.00 0.00 173.10 176.45 3g16 n ASP 138 N 1.25 -5.09 -4.74 1.64 8.00 -1.26 -4.45 116.55 111.90 3g16 n ASP 138 Ca -0.00 0.16 -0.37 0.00 0.71 0.00 0.00 54.79 55.29 3g16 n ASP 138 Cb 0.44 -3.15 -0.07 0.00 -0.02 0.00 0.00 41.12 38.33 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 -1.79 3.50 -1.34 1.24 5.36 -1.24 -4.98 117.98 118.72 3g16 s PHE 139 Ca 0.00 0.71 -0.14 0.00 -0.96 0.00 0.00 56.93 56.54 3g16 s PHE 139 Cb 0.00 -2.39 0.10 0.00 -0.34 0.00 0.00 43.02 40.39 3g16 s PHE 139 CO 0.00 0.26 1.90 -3.47 -1.46 0.00 0.00 175.22 172.45 3g16 n ASP 140 N 3.43 4.63 -0.10 6.13 2.03 -1.26 -4.81 116.55 126.60 3g16 n ASP 140 Ca -0.11 -2.94 -0.06 0.00 0.52 0.00 0.00 54.79 52.19 3g16 n ASP 140 Cb 0.52 -1.63 0.01 0.00 -0.72 0.00 0.00 41.12 39.30 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 6.51 0.23 -0.50 -0.67 0.05 -1.94 -0.84 116.97 119.81 3g16 h TYR 141 Ca 0.46 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 59.24 3g16 h TYR 141 Cb 0.73 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.40 3g16 h TYR 141 CO 1.35 0.10 0.23 0.00 -1.05 0.00 0.00 178.16 178.78 3g16 h ALA 142 N 1.22 0.65 0.00 3.88 0.00 -1.87 -1.34 119.26 121.80 3g16 h ALA 142 Ca 0.16 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3g16 h ALA 142 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3g16 h ALA 142 CO -0.16 0.23 -0.40 0.78 0.00 0.00 0.00 179.25 179.70 3g16 h GLY 143 N 0.67 0.00 -0.06 0.00 0.00 -1.85 -2.47 103.07 99.36 3g16 h GLY 143 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3g16 h GLY 143 CO -0.02 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.06 3g16 n ARG 144 N -3.99 1.40 -0.74 4.80 5.12 -0.35 -4.93 116.66 117.97 3g16 n ARG 144 Ca -0.02 -0.60 0.00 0.00 -1.93 0.00 0.00 57.85 55.31 3g16 n ARG 144 Cb 0.44 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.33 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 1.03 0.61 3.81 -0.13 0.00 -0.93 -5.05 105.19 104.53 3g16 n GLY 145 Ca 0.18 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 3.48 0.41 1.61 1.51 -0.54 -5.03 117.35 116.80 3g16 s TYR 146 Ca 0.00 1.60 -0.25 0.00 -1.01 0.00 0.00 57.07 57.41 3g16 s TYR 146 Cb 0.00 -2.81 -0.08 0.00 -0.11 0.00 0.00 41.96 38.95 3g16 s TYR 146 CO 0.00 0.07 1.18 1.03 -1.11 0.00 0.00 175.55 176.72 3g16 s ARG 147 N -2.65 3.99 -0.01 -0.62 1.81 -1.26 -4.41 118.95 115.80 3g16 s ARG 147 Ca 0.55 1.86 0.07 0.00 -1.72 0.00 0.00 55.73 56.48 3g16 s ARG 147 Cb -0.13 -2.63 -0.09 0.00 -0.45 0.00 0.00 34.95 31.65 3g16 s ARG 147 CO 0.18 -0.38 0.19 1.55 -0.68 0.00 0.00 175.30 176.16 3g16 n VAL 148 N -0.03 0.00 -4.81 3.52 3.14 -1.26 -4.98 118.33 113.91 3g16 n VAL 148 Ca 0.05 -0.22 -0.26 0.00 -2.96 0.00 0.00 64.34 60.95 3g16 n VAL 148 Cb 0.46 0.57 -0.15 0.00 -1.06 0.00 0.00 33.84 33.67 3g16 n VAL 148 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3g16 s THR 149 N -2.17 1.62 0.28 1.55 2.01 -1.26 -5.10 115.64 112.57 3g16 s THR 149 Ca -0.01 -1.02 -0.30 0.00 0.31 0.00 0.00 61.69 60.67 3g16 s THR 149 Cb 0.04 -1.38 -0.12 0.00 0.01 0.00 0.00 72.50 71.05 3g16 s THR 149 CO 0.27 0.33 1.53 -0.24 -0.69 0.00 0.00 174.62 175.82 3g16 n SER 150 N 2.22 3.49 0.29 3.53 2.88 -1.26 -4.87 113.62 119.91 3g16 n SER 150 Ca -0.16 1.15 0.18 0.00 -1.33 0.00 0.00 58.87 58.70 3g16 n SER 150 Cb 0.53 -1.54 0.88 0.00 -0.75 0.00 0.00 64.21 63.33 3g16 n SER 150 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3g16 h PRO 151 N 4.55 0.00 -6.58 -1.46 0.11 -2.00 -3.44 132.00 123.16 3g16 h PRO 151 Ca -0.46 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.13 3g16 h PRO 151 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3g16 h PRO 151 CO 0.78 0.04 0.30 0.50 -0.21 0.00 0.00 178.00 179.41 3g16 s ARG 152 N -3.99 4.70 0.14 1.05 3.52 -1.26 -5.00 118.95 118.11 3g16 s ARG 152 Ca -0.02 1.37 -0.31 0.00 -0.13 0.00 0.00 55.73 56.64 3g16 s ARG 152 Cb 0.12 -3.33 -0.10 0.00 -1.56 0.00 0.00 34.95 30.08 3g16 s ARG 152 CO 0.51 0.37 1.62 0.21 -0.81 0.00 0.00 175.30 177.20 3g16 s LYS 153 N -0.55 4.20 0.56 5.12 2.20 -1.26 -4.94 119.74 125.07 3g16 s LYS 153 Ca 0.42 2.38 -0.20 0.00 -0.36 0.00 0.00 55.97 58.21 3g16 s LYS 153 Cb -0.24 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 3g16 s LYS 153 CO 0.29 -0.66 1.24 -2.14 -0.36 0.00 0.00 175.35 173.72 3g16 s PRO 154 N 1.66 3.11 0.00 4.03 0.02 -1.26 -5.22 135.00 137.34 3g16 s PRO 154 Ca 0.72 1.92 0.15 0.00 0.02 0.00 0.00 61.00 63.81 3g16 s PRO 154 Cb -0.43 -2.07 0.87 0.00 0.02 0.00 0.00 34.50 32.89 3g16 s PRO 154 CO 0.32 -1.12 1.29 0.00 -0.33 0.00 0.00 177.00 177.16