#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpg n HIS 0 N 0.00 0.13 -3.25 4.41 -0.00 -1.26 -4.96 115.22 110.29 3gpg n HIS 0 Ca 0.00 0.51 -0.44 0.00 -0.00 0.00 0.00 57.72 57.79 3gpg n HIS 0 Cb 0.00 -2.07 -0.07 0.00 -0.00 0.00 0.00 29.99 27.85 3gpg n HIS 0 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3gpg s ALA 1 N -1.51 3.43 0.19 1.57 0.00 -1.26 -5.05 121.76 119.14 3gpg s ALA 1 Ca 0.67 -1.69 -0.33 0.00 0.00 0.00 0.00 51.96 50.61 3gpg s ALA 1 Cb -0.51 -3.20 -0.14 0.00 0.00 0.00 0.00 23.12 19.28 3gpg s ALA 1 CO 0.54 -1.80 1.47 -2.30 0.00 0.00 0.00 175.76 173.67 3gpg n PRO 2 N 5.81 2.01 -4.47 0.00 -0.02 -1.26 -4.99 135.00 132.08 3gpg n PRO 2 Ca -0.07 0.72 -0.23 0.00 -2.02 0.00 0.00 63.50 61.89 3gpg n PRO 2 Cb 0.46 -2.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 3gpg n PRO 2 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3gpg s SER 3 N 0.57 3.21 -0.05 2.55 1.04 -1.26 -5.00 113.70 114.75 3gpg s SER 3 Ca 0.74 -1.16 0.04 0.00 0.48 0.00 0.00 55.95 56.06 3gpg s SER 3 Cb -0.69 -0.25 -0.02 0.00 0.10 0.00 0.00 66.02 65.16 3gpg s SER 3 CO 0.44 -0.22 -0.17 -0.31 0.98 0.00 0.00 173.24 173.95 3gpg s TYR 4 N -2.79 2.62 0.06 5.02 1.51 -1.26 -1.19 117.35 121.31 3gpg s TYR 4 Ca 0.30 -0.32 -0.00 0.00 -1.01 0.00 0.00 57.07 56.04 3gpg s TYR 4 Cb 0.02 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.20 3gpg s TYR 4 CO 0.14 0.06 -0.04 1.03 -1.11 0.00 0.00 175.55 175.63 3gpg s ARG 5 N -0.54 0.66 -0.02 -0.62 0.52 -0.48 -4.99 118.95 113.48 3gpg s ARG 5 Ca 0.07 -1.21 0.05 0.00 -0.52 0.00 0.00 55.73 54.12 3gpg s ARG 5 Cb -0.11 0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.43 3gpg s ARG 5 CO 0.01 -0.08 -0.17 0.54 0.02 0.00 0.00 175.30 175.62 3gpg s VAL 6 N -3.67 1.33 -0.01 3.52 0.11 -1.26 -0.19 120.40 120.23 3gpg s VAL 6 Ca 0.07 -0.71 0.03 0.00 -2.93 0.00 0.00 61.98 58.44 3gpg s VAL 6 Cb 0.06 -1.12 -0.01 0.00 -1.53 0.00 0.00 36.38 33.79 3gpg s VAL 6 CO -0.08 0.38 -0.10 -0.54 -3.33 0.00 0.00 175.10 171.43 3gpg s LYS 7 N -0.30 0.85 -0.73 1.54 1.02 0.01 -4.93 119.74 117.20 3gpg s LYS 7 Ca 0.04 -0.36 -0.15 0.00 0.02 0.00 0.00 55.97 55.52 3gpg s LYS 7 Cb -0.07 -0.82 0.18 0.00 -0.52 0.00 0.00 37.83 36.59 3gpg s LYS 7 CO -0.00 0.21 0.71 0.50 -0.92 0.00 0.00 175.35 175.85 3gpg s ARG 8 N -0.20 3.39 0.06 1.68 3.52 -1.26 -1.65 118.95 124.48 3gpg s ARG 8 Ca 0.03 -2.13 -0.27 0.00 -0.13 0.00 0.00 55.73 53.23 3gpg s ARG 8 Cb -0.04 -4.41 0.10 0.00 -1.56 0.00 0.00 34.95 29.03 3gpg s ARG 8 CO -0.00 -1.34 1.18 0.00 -0.81 0.00 0.00 175.30 174.32 3gpg s MET 9 N 0.88 0.73 -0.04 5.12 0.23 -0.74 -4.96 119.30 120.52 3gpg s MET 9 Ca 0.14 -0.44 -0.30 0.00 -1.03 0.00 0.00 55.69 54.06 3gpg s MET 9 Cb -0.17 0.22 -0.05 0.00 -1.53 0.00 0.00 34.83 33.31 3gpg s MET 9 CO -0.05 -0.34 1.38 0.34 -2.03 0.00 0.00 175.02 174.33 3gpg s ASP 10 N -3.28 6.87 0.63 -1.18 -1.08 -1.26 -4.33 116.67 113.04 3gpg s ASP 10 Ca 0.19 2.02 0.41 0.00 -0.52 0.00 0.00 52.55 54.65 3gpg s ASP 10 Cb 0.01 -2.55 2.08 0.00 -1.46 0.00 0.00 42.92 40.99 3gpg s ASP 10 CO -0.00 -0.73 2.25 -0.29 0.52 0.00 0.00 175.17 176.92 3gpg h ILE 11 N 5.10 0.04 0.00 4.11 2.10 -1.95 -0.14 117.51 126.77 3gpg h ILE 11 Ca -0.36 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.41 3gpg h ILE 11 Cb 1.16 1.16 0.00 0.00 -1.09 0.00 0.00 36.82 38.06 3gpg h ILE 11 CO 0.92 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 177.99 3gpg n ALA 12 N -2.10 1.40 -1.09 0.18 0.00 -1.26 -1.88 120.51 115.76 3gpg n ALA 12 Ca -0.02 0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.54 3gpg n ALA 12 Cb 0.14 -1.31 0.27 0.00 0.00 0.00 0.00 19.45 18.56 3gpg n ALA 12 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gpg n LYS 13 N -2.08 3.09 -1.24 0.00 5.02 -0.07 -5.02 118.16 117.86 3gpg n LYS 13 Ca 0.01 -3.00 -0.33 0.00 -2.02 0.00 0.00 58.31 52.97 3gpg n LYS 13 Cb 0.14 -1.97 0.11 0.00 -0.02 0.00 0.00 35.03 33.28 3gpg n LYS 13 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3gpg s ASN 14 N -1.73 3.98 -0.20 4.39 2.20 -0.79 -4.96 114.94 117.84 3gpg s ASN 14 Ca 0.47 2.21 0.16 0.00 -0.94 0.00 0.00 52.86 54.76 3gpg s ASN 14 Cb 0.39 -2.57 0.60 0.00 -2.00 0.00 0.00 41.25 37.66 3gpg s ASN 14 CO 0.09 -2.40 1.50 0.47 -2.94 0.00 0.00 177.10 173.82 3gpg n ASP 15 N -3.20 4.28 -4.98 3.54 8.00 -1.26 -5.03 116.55 117.90 3gpg n ASP 15 Ca 0.12 -3.02 -0.18 0.00 0.71 0.00 0.00 54.79 52.42 3gpg n ASP 15 Cb 0.51 -0.58 0.01 0.00 -0.02 0.00 0.00 41.12 41.04 3gpg n ASP 15 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3gpg s GLU 16 N -2.83 2.70 0.00 -1.24 8.01 -1.26 -5.03 118.70 119.05 3gpg s GLU 16 Ca 0.45 -1.36 0.29 0.00 0.01 0.00 0.00 54.97 54.36 3gpg s GLU 16 Cb 0.36 -2.65 1.24 0.00 -4.31 0.00 0.00 34.13 28.77 3gpg s GLU 16 CO 0.10 -0.33 1.91 0.39 0.01 0.00 0.00 175.26 177.35 3gpg n GLU 17 N -1.83 0.11 -3.79 1.61 1.02 -1.18 -4.87 120.64 111.72 3gpg n GLU 17 Ca 0.08 -0.01 -0.06 0.00 -0.02 0.00 0.00 57.16 57.15 3gpg n GLU 17 Cb 0.60 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.50 3gpg n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gpg s VAL 19 N -3.68 0.84 -0.25 0.00 0.11 -0.91 -1.59 120.40 114.92 3gpg s VAL 19 Ca 0.11 -0.58 -0.14 0.00 -2.93 0.00 0.00 61.98 58.43 3gpg s VAL 19 Cb -0.04 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 3gpg s VAL 19 CO 0.04 0.14 0.32 -0.69 -3.33 0.00 0.00 175.10 171.58 3gpg s VAL 20 N -0.43 5.23 0.08 2.04 1.01 0.20 -0.46 120.40 128.08 3gpg s VAL 20 Ca 0.03 0.49 -0.25 0.00 0.00 0.00 0.00 61.98 62.24 3gpg s VAL 20 Cb -0.05 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 3gpg s VAL 20 CO -0.00 0.23 0.75 0.21 0.00 0.00 0.00 175.10 176.29 3gpg s ASN 21 N 1.38 7.25 -1.23 3.32 2.47 0.44 -4.33 114.94 124.25 3gpg s ASN 21 Ca 0.14 1.49 -0.18 0.00 0.42 0.00 0.00 52.86 54.73 3gpg s ASN 21 Cb -0.15 -2.47 0.09 0.00 -1.45 0.00 0.00 41.25 37.27 3gpg s ASN 21 CO 0.08 0.09 1.61 0.00 -3.72 0.00 0.00 177.10 175.17 3gpg s ALA 22 N -0.46 3.39 0.55 1.71 0.00 -1.26 -1.45 121.76 124.23 3gpg s ALA 22 Ca 0.37 -2.92 -0.09 0.00 0.00 0.00 0.00 51.96 49.32 3gpg s ALA 22 Cb -0.21 -4.50 -0.04 0.00 0.00 0.00 0.00 23.12 18.37 3gpg s ALA 22 CO 0.23 -3.22 0.91 0.00 0.00 0.00 0.00 175.76 173.69 3gpg s ALA 23 N 3.69 3.23 0.33 0.00 0.00 -0.50 -4.21 121.76 124.30 3gpg s ALA 23 Ca 0.50 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.23 3gpg s ALA 23 Cb 0.02 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 3gpg s ALA 23 CO 0.03 -0.48 0.52 0.54 0.00 0.00 0.00 175.76 176.36 3gpg s ASN 24 N -4.02 6.29 0.44 0.00 2.20 -1.26 -4.36 114.94 114.23 3gpg s ASN 24 Ca 0.52 0.37 0.30 0.00 -0.94 0.00 0.00 52.86 53.12 3gpg s ASN 24 Cb -0.11 -1.98 1.41 0.00 -2.00 0.00 0.00 41.25 38.57 3gpg s ASN 24 CO 0.48 -0.26 1.91 1.55 -2.94 0.00 0.00 177.10 177.83 3gpg h PRO 25 N 0.82 0.00 -0.07 3.55 0.13 -1.93 -2.86 132.00 131.64 3gpg h PRO 25 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3gpg h PRO 25 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3gpg h PRO 25 CO 0.61 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.92 3gpg n ARG 26 N -2.66 2.07 -2.78 0.86 1.74 -1.26 -1.54 116.66 113.09 3gpg n ARG 26 Ca 0.00 -1.56 -0.18 0.00 -0.77 0.00 0.00 57.85 55.34 3gpg n ARG 26 Cb 0.19 -1.47 0.02 0.00 -1.02 0.00 0.00 32.46 30.18 3gpg n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gpg n GLY 27 N 1.29 -0.30 3.90 -0.13 0.00 -1.08 -4.50 105.19 104.36 3gpg n GLY 27 Ca 0.16 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 3gpg n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gpg s LEU 28 N -5.41 3.76 0.44 0.99 1.43 -1.26 -4.83 118.68 113.80 3gpg s LEU 28 Ca 0.20 0.95 0.15 0.00 -1.03 0.00 0.00 54.13 54.40 3gpg s LEU 28 Cb -0.09 -3.86 1.05 0.00 0.03 0.00 0.00 46.19 43.32 3gpg s LEU 28 CO 0.25 -0.46 1.97 -0.65 0.23 0.00 0.00 176.35 177.69 3gpg h PRO 29 N 0.77 0.38 0.00 1.29 0.11 -1.95 -3.44 132.00 129.16 3gpg h PRO 29 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gpg h PRO 29 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3gpg h PRO 29 CO 0.63 0.25 0.00 0.41 -0.21 0.00 0.00 178.00 179.08 3gpg n GLY 30 N -1.53 0.27 3.34 -0.55 0.00 -1.26 -2.08 105.19 103.39 3gpg n GLY 30 Ca 0.11 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 3gpg n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gpg s ASP 31 N -4.00 1.76 1.19 1.61 1.01 -1.26 -4.46 116.67 112.51 3gpg s ASP 31 Ca 0.00 -1.66 0.00 0.00 0.71 0.00 0.00 52.55 51.60 3gpg s ASP 31 Cb 0.00 0.49 0.00 0.00 1.01 0.00 0.00 42.92 44.42 3gpg s ASP 31 CO 0.00 -0.97 0.00 0.61 0.21 0.00 0.00 175.17 175.02 3gpg n GLY 32 N -0.65 3.04 0.25 0.21 0.00 -1.26 -2.24 105.19 104.53 3gpg n GLY 32 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3gpg n GLY 32 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gpg h VAL 33 N 0.00 0.80 -0.81 1.61 2.07 -1.97 -2.02 116.25 115.93 3gpg h VAL 33 Ca 0.00 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.38 3gpg h VAL 33 Cb 0.00 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 3gpg h VAL 33 CO 0.00 0.09 0.53 0.00 0.02 0.00 0.00 177.57 178.21 3gpg h LYS 35 N 1.06 1.06 -0.61 0.00 1.63 -0.82 0.11 116.57 119.01 3gpg h LYS 35 Ca 0.31 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 3gpg h LYS 35 Cb -0.08 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.39 3gpg h LYS 35 CO -0.08 0.97 0.38 0.00 -3.45 0.00 0.00 179.45 177.27 3gpg h ALA 36 N 1.11 0.77 -0.54 5.00 0.00 -0.62 -0.81 119.26 124.18 3gpg h ALA 36 Ca 0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3gpg h ALA 36 Cb 0.42 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3gpg h ALA 36 CO 0.01 0.23 0.22 0.28 0.00 0.00 0.00 179.25 179.99 3gpg h VAL 37 N 0.82 1.22 -0.88 0.00 2.07 -0.71 -2.21 116.25 116.56 3gpg h VAL 37 Ca 0.22 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.07 3gpg h VAL 37 Cb -0.05 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3gpg h VAL 37 CO -0.04 0.26 0.58 0.22 0.02 0.00 0.00 177.57 178.61 3gpg h TYR 38 N 0.73 1.10 -0.10 1.57 3.20 -0.42 0.99 116.97 124.05 3gpg h TYR 38 Ca 0.18 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.93 3gpg h TYR 38 Cb 0.20 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 3gpg h TYR 38 CO 0.01 0.69 -0.59 0.87 -1.64 0.00 0.00 178.16 177.50 3gpg h LYS 39 N 1.19 0.33 0.20 1.82 1.57 -0.83 -2.42 116.57 118.42 3gpg h LYS 39 Ca 0.32 -0.22 -0.33 0.00 -1.87 0.00 0.00 60.65 58.55 3gpg h LYS 39 Cb -0.13 0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.23 3gpg h LYS 39 CO -0.07 0.82 -1.61 -0.22 -0.57 0.00 0.00 179.45 177.80 3gpg h LYS 40 N 0.24 0.41 -2.16 3.15 1.63 -1.04 -3.40 116.57 115.41 3gpg h LYS 40 Ca -0.00 -0.71 -0.55 0.00 -0.85 0.00 0.00 60.65 58.54 3gpg h LYS 40 Cb 1.10 0.26 -0.41 0.00 -0.60 0.00 0.00 32.23 32.59 3gpg h LYS 40 CO 0.10 1.34 -0.85 0.91 -3.45 0.00 0.00 179.45 177.49 3gpg n TRP 41 N -3.69 2.37 0.21 1.91 8.01 0.31 -4.94 117.44 121.62 3gpg n TRP 41 Ca -0.22 -3.92 0.05 0.00 -1.31 0.00 0.00 57.50 52.09 3gpg n TRP 41 Cb 1.05 -0.46 0.46 0.00 -2.01 0.00 0.00 31.31 30.35 3gpg n TRP 41 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 3gpg h PRO 42 N 3.25 0.00 0.00 -0.99 0.13 -1.61 -1.73 132.00 131.05 3gpg h PRO 42 Ca 0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3gpg h PRO 42 Cb 0.71 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 3gpg h PRO 42 CO 0.69 0.26 -0.02 0.93 -0.23 0.00 0.00 178.00 179.63 3gpg h GLU 43 N 0.00 0.00 0.00 0.86 3.07 -1.92 -1.17 114.58 115.42 3gpg h GLU 43 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gpg h GLU 43 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3gpg h GLU 43 CO 0.03 0.02 0.00 -1.13 -1.40 0.00 0.00 179.01 176.53 3gpg n SER 44 N -3.37 0.00 -0.83 1.42 3.41 -0.65 -2.72 113.62 110.88 3gpg n SER 44 Ca -0.03 -0.07 0.09 0.00 -0.26 0.00 0.00 58.87 58.60 3gpg n SER 44 Cb 0.12 -0.29 0.26 0.00 -0.26 0.00 0.00 64.21 64.04 3gpg n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3gpg n PHE 45 N -1.29 0.50 -2.22 7.33 3.72 -0.44 -4.58 117.46 120.48 3gpg n PHE 45 Ca 0.12 -0.25 -0.43 0.00 -0.05 0.00 0.00 57.45 56.84 3gpg n PHE 45 Cb 0.20 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.72 3gpg n PHE 45 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3gpg s LYS 46 N -1.50 3.80 -1.44 -1.08 2.20 -1.10 -3.40 119.74 117.22 3gpg s LYS 46 Ca 0.33 1.48 -0.08 0.00 -0.36 0.00 0.00 55.97 57.34 3gpg s LYS 46 Cb 0.18 -3.99 0.05 0.00 -1.51 0.00 0.00 37.83 32.55 3gpg s LYS 46 CO 0.24 -1.28 0.89 0.09 -0.36 0.00 0.00 175.35 174.94 3gpg n ASN 47 N 8.29 -3.52 -0.08 1.43 3.02 -1.26 -4.90 115.26 118.24 3gpg n ASN 47 Ca 0.18 -0.78 0.11 0.00 -0.03 0.00 0.00 54.58 54.06 3gpg n ASN 47 Cb 0.46 -4.02 0.12 0.00 -0.61 0.00 0.00 39.78 35.73 3gpg n ASN 47 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3gpg n SER 48 N -2.93 0.88 -4.70 6.41 3.41 -1.22 -4.95 113.62 110.52 3gpg n SER 48 Ca -0.09 -0.70 -0.43 0.00 -0.26 0.00 0.00 58.87 57.39 3gpg n SER 48 Cb 0.59 0.50 -0.02 0.00 -0.26 0.00 0.00 64.21 65.02 3gpg n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gpg n ALA 49 N -1.25 1.47 -3.49 7.33 0.00 -1.26 -4.65 120.51 118.65 3gpg n ALA 49 Ca 0.06 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.75 3gpg n ALA 49 Cb 0.35 -2.31 -0.04 0.00 0.00 0.00 0.00 19.45 17.45 3gpg n ALA 49 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3gpg s THR 50 N -0.43 0.00 0.77 0.00 -1.32 -0.59 -4.93 115.64 109.15 3gpg s THR 50 Ca 0.63 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 61.00 3gpg s THR 50 Cb -0.59 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.46 3gpg s THR 50 CO 0.54 0.00 1.09 -2.84 -2.21 0.00 0.00 174.62 171.20 3gpg s PRO 51 N -2.20 2.24 0.39 7.08 0.02 -1.26 -4.37 135.00 136.91 3gpg s PRO 51 Ca -0.04 1.11 -0.26 0.00 0.02 0.00 0.00 61.00 61.83 3gpg s PRO 51 Cb -0.00 -1.90 -0.11 0.00 0.02 0.00 0.00 34.50 32.51 3gpg s PRO 51 CO -0.00 -1.64 1.26 0.28 -0.33 0.00 0.00 177.00 176.57 3gpg n VAL 52 N -3.51 2.33 -0.93 3.83 0.31 -1.26 -2.24 118.33 116.84 3gpg n VAL 52 Ca 0.09 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3gpg n VAL 52 Cb 0.53 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 3gpg n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gpg n GLY 53 N 0.82 0.55 3.45 2.92 0.00 0.32 -5.00 105.19 108.25 3gpg n GLY 53 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 3gpg n GLY 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gpg s THR 54 N -2.08 1.28 0.03 2.61 -4.23 -0.95 -3.06 115.64 109.23 3gpg s THR 54 Ca 0.00 -2.02 0.04 0.00 -1.18 0.00 0.00 61.69 58.53 3gpg s THR 54 Cb 0.00 -2.73 -0.02 0.00 1.34 0.00 0.00 72.50 71.10 3gpg s THR 54 CO 0.00 -0.07 -0.12 0.00 -0.54 0.00 0.00 174.62 173.89 3gpg s ALA 55 N -3.24 1.01 -0.06 3.99 0.00 -1.26 -1.17 121.76 121.03 3gpg s ALA 55 Ca 0.35 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 3gpg s ALA 55 Cb 0.08 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.07 3gpg s ALA 55 CO 0.15 0.19 -0.00 0.21 0.00 0.00 0.00 175.76 176.30 3gpg s LYS 56 N -0.97 0.53 -0.12 0.00 2.20 -0.25 -4.93 119.74 116.20 3gpg s LYS 56 Ca 0.01 0.09 -0.16 0.00 -0.36 0.00 0.00 55.97 55.55 3gpg s LYS 56 Cb -0.07 -0.82 -0.05 0.00 -1.51 0.00 0.00 37.83 35.38 3gpg s LYS 56 CO 0.01 -0.24 0.40 0.99 -0.36 0.00 0.00 175.35 176.15 3gpg s THR 57 N 1.64 5.22 -0.04 3.43 2.01 -1.26 -0.49 115.64 126.14 3gpg s THR 57 Ca -0.00 0.78 0.02 0.00 0.31 0.00 0.00 61.69 62.80 3gpg s THR 57 Cb -0.13 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.66 3gpg s THR 57 CO -0.03 0.38 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.49 3gpg s VAL 58 N 0.36 0.91 0.35 3.82 1.01 -0.15 -4.98 120.40 121.72 3gpg s VAL 58 Ca 0.22 -0.39 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 3gpg s VAL 58 Cb -0.14 -0.83 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 3gpg s VAL 58 CO 0.08 0.29 1.00 -0.04 0.00 0.00 0.00 175.10 176.43 3gpg s MET 59 N 0.43 4.44 -0.36 2.72 -1.94 -1.26 -1.48 119.30 121.84 3gpg s MET 59 Ca -0.08 1.46 -0.00 0.00 -1.71 0.00 0.00 55.69 55.36 3gpg s MET 59 Cb -0.12 -2.76 0.10 0.00 2.01 0.00 0.00 34.83 34.06 3gpg s MET 59 CO 0.02 0.12 0.11 0.00 -0.01 0.00 0.00 175.02 175.25 3gpg n GLY 61 N 4.47 4.11 1.00 0.00 0.00 -1.26 -1.04 105.19 112.47 3gpg n GLY 61 Ca -0.02 0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.19 3gpg n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gpg n THR 62 N 0.00 0.88 -3.50 2.61 -2.24 -1.26 -4.95 114.28 105.82 3gpg n THR 62 Ca 0.00 -0.94 -0.39 0.00 -2.27 0.00 0.00 64.05 60.45 3gpg n THR 62 Cb 0.00 0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 68.73 3gpg n THR 62 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3gpg s TYR 63 N -1.06 3.23 0.03 4.78 5.04 -0.21 -5.05 117.35 124.12 3gpg s TYR 63 Ca 0.36 0.17 -0.30 0.00 -2.44 0.00 0.00 57.07 54.86 3gpg s TYR 63 Cb 0.19 -2.49 -0.04 0.00 0.35 0.00 0.00 41.96 39.98 3gpg s TYR 63 CO 0.25 -0.23 1.02 -2.14 -1.34 0.00 0.00 175.55 173.11 3gpg s PRO 64 N 1.89 4.56 -0.28 4.97 0.02 -1.26 -0.55 135.00 144.34 3gpg s PRO 64 Ca 0.10 1.49 -0.06 0.00 0.02 0.00 0.00 61.00 62.56 3gpg s PRO 64 Cb -0.16 -3.43 0.01 0.00 0.02 0.00 0.00 34.50 30.94 3gpg s PRO 64 CO 0.11 -0.05 0.04 0.08 -0.33 0.00 0.00 177.00 176.85 3gpg s VAL 65 N 0.86 3.73 -0.50 3.83 1.01 -0.55 -2.15 120.40 126.64 3gpg s VAL 65 Ca 0.52 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 3gpg s VAL 65 Cb -0.23 -2.89 0.06 0.00 0.00 0.00 0.00 36.38 33.33 3gpg s VAL 65 CO 0.29 0.15 0.56 -0.63 0.00 0.00 0.00 175.10 175.46 3gpg s ILE 66 N 1.47 4.98 -0.54 2.22 1.01 0.39 -0.97 121.20 129.77 3gpg s ILE 66 Ca 0.03 -0.66 -0.24 0.00 0.00 0.00 0.00 60.65 59.78 3gpg s ILE 66 Cb -0.17 -4.25 0.04 0.00 0.01 0.00 0.00 42.46 38.10 3gpg s ILE 66 CO 0.01 -0.74 0.90 -1.00 0.00 0.00 0.00 174.94 174.11 3gpg s HIS 67 N 2.33 2.83 -0.21 3.97 3.76 0.36 -0.42 115.29 127.91 3gpg s HIS 67 Ca 0.12 -0.06 -0.07 0.00 -0.15 0.00 0.00 55.06 54.90 3gpg s HIS 67 Cb -0.21 -4.00 -0.03 0.00 1.11 0.00 0.00 32.58 29.45 3gpg s HIS 67 CO 0.10 -1.30 0.05 0.00 -0.85 0.00 0.00 174.74 172.75 3gpg s ALA 68 N 3.77 3.23 -0.49 -1.40 0.00 -0.53 -1.09 121.76 125.24 3gpg s ALA 68 Ca 0.29 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 51.20 3gpg s ALA 68 Cb -0.13 -1.95 0.12 0.00 0.00 0.00 0.00 23.12 21.16 3gpg s ALA 68 CO 0.19 -0.15 0.38 0.08 0.00 0.00 0.00 175.76 176.27 3gpg s VAL 69 N 0.99 4.42 0.64 0.00 1.01 -0.32 -1.41 120.40 125.73 3gpg s VAL 69 Ca 0.03 -1.76 -0.11 0.00 0.00 0.00 0.00 61.98 60.14 3gpg s VAL 69 Cb -0.14 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 3gpg s VAL 69 CO 0.03 -0.80 1.04 -0.83 0.00 0.00 0.00 175.10 174.54 3gpg s GLY 70 N 2.82 1.64 0.43 4.51 0.00 -1.26 -0.52 107.32 114.95 3gpg s GLY 70 Ca 0.06 -0.19 -0.23 0.00 0.00 0.00 0.00 44.72 44.35 3gpg s GLY 70 CO -0.00 0.11 1.10 2.56 0.00 0.00 0.00 173.10 176.87 3gpg s PRO 71 N -5.22 3.95 -0.42 2.90 0.04 -1.26 -4.77 135.00 130.21 3gpg s PRO 71 Ca 0.56 1.61 -0.26 0.00 0.04 0.00 0.00 61.00 62.94 3gpg s PRO 71 Cb -0.11 -2.44 0.02 0.00 0.04 0.00 0.00 34.50 32.01 3gpg s PRO 71 CO 0.53 -0.35 0.97 1.21 0.04 0.00 0.00 177.00 179.40 3gpg s ASN 72 N -1.52 6.61 0.00 6.66 3.84 -1.26 -4.69 114.94 124.58 3gpg s ASN 72 Ca 0.61 0.40 0.11 0.00 0.21 0.00 0.00 52.86 54.19 3gpg s ASN 72 Cb -0.24 -2.48 0.49 0.00 -0.55 0.00 0.00 41.25 38.47 3gpg s ASN 72 CO 0.30 -1.00 1.36 0.49 -2.79 0.00 0.00 177.10 175.45 3gpg n PHE 73 N 7.12 0.00 0.22 0.43 3.72 0.20 -1.05 117.46 128.10 3gpg n PHE 73 Ca 0.08 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.54 3gpg n PHE 73 Cb 0.48 -0.49 0.50 0.00 -0.94 0.00 0.00 39.48 39.04 3gpg n PHE 73 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3gpg h SER 74 N 0.00 0.00 0.00 4.37 0.02 -1.88 -3.32 113.55 112.74 3gpg h SER 74 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 3gpg h SER 74 Cb 0.19 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.67 3gpg h SER 74 CO 0.00 0.23 -2.27 0.59 -1.14 0.00 0.00 176.83 174.24 3gpg n ASN 75 N -4.08 0.80 -4.89 3.07 3.02 -0.22 -4.99 115.26 107.98 3gpg n ASN 75 Ca -0.02 -0.02 -0.32 0.00 -0.03 0.00 0.00 54.58 54.18 3gpg n ASN 75 Cb 0.30 0.70 -0.05 0.00 -0.61 0.00 0.00 39.78 40.12 3gpg n ASN 75 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3gpg s TYR 76 N -2.45 3.49 0.94 3.10 2.02 -1.00 -5.10 117.35 118.36 3gpg s TYR 76 Ca -0.13 0.59 -0.11 0.00 -0.37 0.00 0.00 57.07 57.04 3gpg s TYR 76 Cb 0.06 -2.03 0.16 0.00 -0.40 0.00 0.00 41.96 39.75 3gpg s TYR 76 CO 0.71 0.45 1.11 -1.54 -1.57 0.00 0.00 175.55 174.71 3gpg s SER 77 N -2.32 2.87 0.24 2.29 1.04 -1.26 -4.74 113.70 111.82 3gpg s SER 77 Ca 0.39 1.89 -0.06 0.00 0.48 0.00 0.00 55.95 58.65 3gpg s SER 77 Cb -0.12 -2.45 0.23 0.00 0.10 0.00 0.00 66.02 63.78 3gpg s SER 77 CO 0.23 -3.08 1.87 -0.33 0.98 0.00 0.00 173.24 172.91 3gpg h GLU 78 N -1.85 1.27 -0.06 4.02 4.39 -1.98 0.11 114.58 120.48 3gpg h GLU 78 Ca -0.48 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.07 3gpg h GLU 78 Cb 1.28 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 29.67 3gpg h GLU 78 CO 0.47 0.91 -0.02 0.77 -1.16 0.00 0.00 179.01 179.97 3gpg h SER 79 N 1.29 0.13 -0.03 1.42 0.02 -1.99 -0.38 113.55 114.00 3gpg h SER 79 Ca 0.33 -0.39 -0.21 0.00 -0.84 0.00 0.00 61.79 60.68 3gpg h SER 79 Cb -0.02 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3gpg h SER 79 CO -0.06 0.50 -0.74 -0.08 -1.14 0.00 0.00 176.83 175.31 3gpg h GLU 80 N -0.23 0.68 -0.53 3.45 4.57 -1.92 -2.62 114.58 117.97 3gpg h GLU 80 Ca 0.02 -0.54 0.05 0.00 -1.18 0.00 0.00 59.36 57.71 3gpg h GLU 80 Cb 0.44 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.09 3gpg h GLU 80 CO 0.01 1.16 0.26 0.78 -1.18 0.00 0.00 179.01 180.04 3gpg h GLY 81 N 0.80 0.75 0.95 1.92 0.00 -0.79 -1.15 103.07 105.55 3gpg h GLY 81 Ca -0.04 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.14 3gpg h GLY 81 CO 0.15 0.10 0.61 -1.80 0.00 0.00 0.00 176.54 175.59 3gpg h ASP 82 N 0.50 1.03 -0.51 0.19 3.58 -0.96 -0.57 116.42 119.69 3gpg h ASP 82 Ca 0.24 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 3gpg h ASP 82 Cb 0.17 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 3gpg h ASP 82 CO -0.18 0.73 0.23 -0.09 -2.88 0.00 0.00 179.24 177.05 3gpg h ARG 83 N 1.21 0.75 -0.26 0.28 2.43 -1.04 -1.17 114.38 116.59 3gpg h ARG 83 Ca 0.35 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 59.27 3gpg h ARG 83 Cb -0.07 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 3gpg h ARG 83 CO -0.10 0.64 -0.39 0.93 -1.51 0.00 0.00 179.97 179.54 3gpg h GLU 84 N 0.68 0.59 -0.32 0.20 4.39 -0.90 -1.56 114.58 117.66 3gpg h GLU 84 Ca 0.17 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 3gpg h GLU 84 Cb 0.15 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3gpg h GLU 84 CO -0.02 0.88 0.10 1.25 -1.16 0.00 0.00 179.01 180.07 3gpg h LEU 85 N 0.49 0.46 -0.87 1.33 5.85 -0.89 -0.41 115.31 121.28 3gpg h LEU 85 Ca 0.04 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.59 3gpg h LEU 85 Cb 0.89 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 3gpg h LEU 85 CO 0.08 0.54 0.57 0.00 -0.34 0.00 0.00 178.44 179.28 3gpg h ALA 86 N 0.94 1.14 -0.50 1.25 0.00 -1.09 -2.60 119.26 118.40 3gpg h ALA 86 Ca 0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3gpg h ALA 86 Cb 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3gpg h ALA 86 CO -0.00 0.43 0.06 0.00 0.00 0.00 0.00 179.25 179.74 3gpg h ALA 87 N 1.35 0.67 -0.52 0.00 0.00 -1.02 -1.51 119.26 118.23 3gpg h ALA 87 Ca 0.34 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gpg h ALA 87 Cb -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3gpg h ALA 87 CO -0.10 0.43 0.31 0.00 0.00 0.00 0.00 179.25 179.89 3gpg h ALA 88 N 0.96 0.67 -0.55 0.00 0.00 -0.84 -1.24 119.26 118.26 3gpg h ALA 88 Ca 0.15 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3gpg h ALA 88 Cb 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3gpg h ALA 88 CO 0.01 0.16 0.11 1.88 0.00 0.00 0.00 179.25 181.41 3gpg h TYR 89 N 0.70 0.89 -0.20 0.00 -1.99 -1.28 -1.53 116.97 113.56 3gpg h TYR 89 Ca 0.19 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.83 3gpg h TYR 89 Cb -0.00 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.46 3gpg h TYR 89 CO -0.02 0.76 0.13 0.00 -0.00 0.00 0.00 178.16 179.02 3gpg h ARG 90 N 0.82 0.26 -0.55 4.88 3.08 -0.68 -1.36 114.38 120.84 3gpg h ARG 90 Ca 0.18 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.23 3gpg h ARG 90 Cb 0.33 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 3gpg h ARG 90 CO 0.00 0.19 0.36 0.93 -1.07 0.00 0.00 179.97 180.38 3gpg h GLU 91 N 0.26 0.65 -0.54 0.04 5.08 -0.65 0.13 114.58 119.56 3gpg h GLU 91 Ca 0.07 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3gpg h GLU 91 Cb -0.01 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 3gpg h GLU 91 CO -0.01 0.43 0.31 0.28 -1.00 0.00 0.00 179.01 179.02 3gpg h VAL 92 N 0.67 1.17 -0.75 3.13 2.07 -0.67 -1.14 116.25 120.73 3gpg h VAL 92 Ca 0.21 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 3gpg h VAL 92 Cb 0.03 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3gpg h VAL 92 CO -0.05 0.18 0.27 0.00 0.02 0.00 0.00 177.57 177.98 3gpg h ALA 93 N 1.15 1.06 -0.52 1.67 0.00 0.31 0.31 119.26 123.23 3gpg h ALA 93 Ca 0.19 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3gpg h ALA 93 Cb 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3gpg h ALA 93 CO -0.03 0.65 -0.05 -0.22 0.00 0.00 0.00 179.25 179.60 3gpg h LYS 94 N 1.10 0.93 -0.29 0.00 3.64 -0.99 -1.72 116.57 119.24 3gpg h LYS 94 Ca 0.25 -0.30 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 3gpg h LYS 94 Cb 0.26 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3gpg h LYS 94 CO -0.01 0.95 -0.16 0.93 -2.27 0.00 0.00 179.45 178.88 3gpg h GLU 95 N 0.85 0.62 -0.73 1.90 4.39 -0.68 0.99 114.58 121.91 3gpg h GLU 95 Ca 0.15 -0.28 0.06 0.00 0.34 0.00 0.00 59.36 59.63 3gpg h GLU 95 Cb 0.57 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.15 3gpg h GLU 95 CO 0.03 0.86 0.43 0.28 -1.16 0.00 0.00 179.01 179.45 3gpg h VAL 96 N 0.36 1.00 -0.07 3.13 2.07 -0.91 -0.75 116.25 121.07 3gpg h VAL 96 Ca 0.06 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3gpg h VAL 96 Cb 0.69 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3gpg h VAL 96 CO 0.05 0.14 0.02 0.74 0.02 0.00 0.00 177.57 178.54 3gpg h THR 97 N 0.78 1.19 -0.99 2.57 2.02 -1.01 -2.82 112.91 114.65 3gpg h THR 97 Ca 0.32 -0.58 0.10 0.00 0.77 0.00 0.00 66.41 67.02 3gpg h THR 97 Cb 0.18 1.44 -0.08 0.00 -1.74 0.00 0.00 68.15 67.95 3gpg h THR 97 CO -0.18 0.16 0.63 -0.09 0.37 0.00 0.00 175.52 176.41 3gpg h ARG 98 N -0.09 1.01 0.00 6.66 2.43 -0.40 -1.61 114.38 122.38 3gpg h ARG 98 Ca 0.02 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3gpg h ARG 98 Cb 0.24 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3gpg h ARG 98 CO 0.00 0.67 0.00 -0.07 -1.51 0.00 0.00 179.97 179.06 3gpg h LEU 99 N 1.04 0.00 0.70 3.80 3.38 -1.05 -3.47 115.31 119.72 3gpg h LEU 99 Ca 0.47 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.17 3gpg h LEU 99 Cb 0.37 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.02 3gpg h LEU 99 CO -0.23 0.00 -0.25 0.61 0.09 0.00 0.00 178.44 178.66 3gpg n GLY 100 N 0.51 1.30 3.76 0.83 0.00 -0.61 -4.99 105.19 106.00 3gpg n GLY 100 Ca 0.03 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 3gpg n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gpg s VAL 101 N -2.50 2.97 -0.42 1.61 -7.23 -1.24 -4.96 120.40 108.64 3gpg s VAL 101 Ca 0.00 0.53 0.23 0.00 -1.81 0.00 0.00 61.98 60.93 3gpg s VAL 101 Cb 0.00 -3.12 0.17 0.00 0.56 0.00 0.00 36.38 33.99 3gpg s VAL 101 CO 0.00 -0.20 1.38 0.78 -0.31 0.00 0.00 175.10 176.74 3gpg h ASN 102 N 0.51 0.00 -5.05 4.85 2.35 -1.94 -3.43 115.58 112.88 3gpg h ASN 102 Ca -0.49 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.19 3gpg h ASN 102 Cb 1.27 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.50 3gpg h ASN 102 CO 0.55 0.01 0.01 -0.94 -1.65 0.00 0.00 177.43 175.41 3gpg s SER 103 N -5.48 -0.34 -0.14 5.81 1.04 -1.26 -0.58 113.70 112.75 3gpg s SER 103 Ca 0.04 -0.16 -0.14 0.00 0.48 0.00 0.00 55.95 56.17 3gpg s SER 103 Cb 0.08 0.50 0.04 0.00 0.10 0.00 0.00 66.02 66.75 3gpg s SER 103 CO 0.71 -0.85 0.40 0.54 0.98 0.00 0.00 173.24 175.02 3gpg s VAL 104 N -3.54 0.00 -0.21 5.02 0.11 -0.29 -3.13 120.40 118.35 3gpg s VAL 104 Ca 0.01 -0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 58.93 3gpg s VAL 104 Cb 0.01 -0.57 -0.05 0.00 -1.53 0.00 0.00 36.38 34.24 3gpg s VAL 104 CO -0.10 -0.02 0.12 0.00 -3.33 0.00 0.00 175.10 171.77 3gpg s ALA 105 N 0.09 3.57 -0.05 1.54 0.00 -0.62 -0.98 121.76 125.31 3gpg s ALA 105 Ca -0.01 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.15 3gpg s ALA 105 Cb -0.03 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.94 3gpg s ALA 105 CO 0.01 -0.01 -0.05 0.42 0.00 0.00 0.00 175.76 176.13 3gpg s ILE 106 N 0.70 0.59 0.50 0.00 1.01 -0.04 -0.62 121.20 123.34 3gpg s ILE 106 Ca 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.56 3gpg s ILE 106 Cb -0.13 -0.62 -0.01 0.00 0.01 0.00 0.00 42.46 41.71 3gpg s ILE 106 CO 0.01 0.25 0.77 -2.16 0.00 0.00 0.00 174.94 173.82 3gpg s PRO 107 N 1.10 3.13 -0.49 2.79 0.04 -1.26 -1.14 135.00 139.17 3gpg s PRO 107 Ca -0.08 -0.16 -0.27 0.00 0.04 0.00 0.00 61.00 60.53 3gpg s PRO 107 Cb -0.14 -2.42 0.03 0.00 0.04 0.00 0.00 34.50 32.01 3gpg s PRO 107 CO -0.01 -0.40 1.05 -0.51 0.04 0.00 0.00 177.00 177.17 3gpg s LEU 108 N -4.74 3.80 0.50 -3.56 1.43 -1.26 -4.94 118.68 109.91 3gpg s LEU 108 Ca 0.50 0.21 -0.23 0.00 -1.03 0.00 0.00 54.13 53.58 3gpg s LEU 108 Cb -0.10 -3.30 -0.06 0.00 0.03 0.00 0.00 46.19 42.76 3gpg s LEU 108 CO 0.42 -1.21 1.32 -0.76 0.23 0.00 0.00 176.35 176.36 3gpg s LEU 109 N 4.21 3.95 -1.72 1.79 1.43 -1.26 -3.20 118.68 123.87 3gpg s LEU 109 Ca 0.41 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 56.19 3gpg s LEU 109 Cb -0.09 -4.19 0.00 0.00 0.03 0.00 0.00 46.19 41.94 3gpg s LEU 109 CO 0.28 -1.32 0.00 -1.20 0.23 0.00 0.00 176.35 174.34 3gpg n SER 110 N -0.71 -5.26 -0.27 2.29 7.64 -1.26 -4.78 113.62 111.27 3gpg n SER 110 Ca 0.08 0.18 0.07 0.00 1.01 0.00 0.00 58.87 60.21 3gpg n SER 110 Cb 0.45 -4.34 -0.01 0.00 -1.01 0.00 0.00 64.21 59.30 3gpg n SER 110 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3gpg n THR 111 N -3.36 0.00 0.00 0.44 -2.24 -1.20 -3.18 114.28 104.75 3gpg n THR 111 Ca -0.20 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3gpg n THR 111 Cb 0.64 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 70.01 3gpg n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gpg n GLY 112 N 1.08 0.60 0.00 3.38 0.00 -1.26 -4.63 105.19 104.36 3gpg n GLY 112 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.18 3gpg n GLY 112 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gpg n VAL 113 N 0.00 0.29 0.55 1.61 0.24 -1.26 -1.54 118.33 118.22 3gpg n VAL 113 Ca 0.00 0.07 0.11 0.00 -2.04 0.00 0.00 64.34 62.49 3gpg n VAL 113 Cb 0.00 -0.73 0.25 0.00 -1.47 0.00 0.00 33.84 31.89 3gpg n VAL 113 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3gpg n TYR 114 N -1.23 0.43 0.95 6.34 4.02 -1.26 -4.46 117.16 121.96 3gpg n TYR 114 Ca 0.11 -0.22 0.12 0.00 -0.01 0.00 0.00 57.90 57.90 3gpg n TYR 114 Cb 0.15 0.00 0.55 0.00 -0.02 0.00 0.00 39.34 40.02 3gpg n TYR 114 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3gpg n SER 115 N 1.20 0.00 -2.47 7.72 3.41 -0.59 -0.63 113.62 122.26 3gpg n SER 115 Ca 0.18 0.27 -0.21 0.00 -0.26 0.00 0.00 58.87 58.85 3gpg n SER 115 Cb 0.53 -0.41 -0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3gpg n SER 115 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gpg n GLY 116 N 0.88 -0.49 2.40 5.00 0.00 -1.26 -2.40 105.19 109.32 3gpg n GLY 116 Ca 0.08 0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 3gpg n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gpg n GLY 117 N -1.11 0.73 3.68 -0.02 0.00 -1.26 -4.86 105.19 102.35 3gpg n GLY 117 Ca -0.22 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 3gpg n GLY 117 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gpg s LYS 118 N -1.96 2.50 -0.35 1.61 2.20 -1.01 -5.08 119.74 117.66 3gpg s LYS 118 Ca 0.00 -0.95 -0.29 0.00 -0.36 0.00 0.00 55.97 54.37 3gpg s LYS 118 Cb 0.00 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 3gpg s LYS 118 CO 0.00 0.50 1.41 0.34 -0.36 0.00 0.00 175.35 177.24 3gpg s ASP 119 N -2.61 6.45 -0.15 1.43 3.68 -1.26 -4.81 116.67 119.39 3gpg s ASP 119 Ca 0.27 1.06 0.18 0.00 2.13 0.00 0.00 52.55 56.18 3gpg s ASP 119 Cb -0.11 -2.54 0.34 0.00 -1.45 0.00 0.00 42.92 39.16 3gpg s ASP 119 CO 0.19 -1.30 1.19 0.54 0.13 0.00 0.00 175.17 175.92 3gpg n ARG 120 N 7.77 1.49 0.07 4.34 1.74 -1.26 -4.78 116.66 126.04 3gpg n ARG 120 Ca 0.16 -2.71 -0.12 0.00 -0.77 0.00 0.00 57.85 54.41 3gpg n ARG 120 Cb 0.47 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.46 30.30 3gpg n ARG 120 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3gpg h LEU 121 N 0.33 -1.00 -0.50 0.55 6.46 -1.94 0.63 115.31 119.84 3gpg h LEU 121 Ca 0.00 0.13 -0.06 0.00 -0.12 0.00 0.00 57.88 57.83 3gpg h LEU 121 Cb 1.06 0.39 -0.02 0.00 -0.73 0.00 0.00 40.66 41.36 3gpg h LEU 121 CO 0.03 -0.40 0.07 0.74 -0.62 0.00 0.00 178.44 178.26 3gpg h THR 122 N -0.50 1.25 -0.15 1.05 2.02 -1.99 0.61 112.91 115.21 3gpg h THR 122 Ca 0.05 -0.95 0.01 0.00 0.77 0.00 0.00 66.41 66.29 3gpg h THR 122 Cb 0.58 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 3gpg h THR 122 CO -0.26 0.34 0.06 -0.61 0.37 0.00 0.00 175.52 175.43 3gpg h GLN 123 N 0.71 0.14 -0.18 6.66 4.15 -1.86 -0.41 115.11 124.33 3gpg h GLN 123 Ca 0.15 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.48 3gpg h GLN 123 Cb 0.41 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.07 3gpg h GLN 123 CO 0.01 0.09 -0.21 1.03 -1.93 0.00 0.00 178.83 177.82 3gpg h SER 124 N 0.14 0.50 -0.62 -0.69 0.87 -0.72 -2.59 113.55 110.44 3gpg h SER 124 Ca 0.06 -0.50 -0.02 0.00 -1.23 0.00 0.00 61.79 60.11 3gpg h SER 124 Cb 0.02 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 3gpg h SER 124 CO -0.05 0.89 0.33 0.25 -0.53 0.00 0.00 176.83 177.72 3gpg h LEU 125 N 0.11 0.79 -1.11 2.23 5.85 -0.83 -0.49 115.31 121.87 3gpg h LEU 125 Ca 0.02 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 3gpg h LEU 125 Cb 0.77 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3gpg h LEU 125 CO 0.05 0.67 0.06 0.78 -0.34 0.00 0.00 178.44 179.66 3gpg h ASN 126 N 0.85 0.64 -0.28 1.25 2.35 -1.06 -0.60 115.58 118.73 3gpg h ASN 126 Ca 0.22 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 3gpg h ASN 126 Cb 0.06 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 3gpg h ASN 126 CO -0.03 0.67 -0.14 0.45 -1.65 0.00 0.00 177.43 176.73 3gpg h HIS 127 N 0.66 0.79 0.12 1.19 3.86 -1.06 -0.22 115.15 120.50 3gpg h HIS 127 Ca 0.14 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3gpg h HIS 127 Cb 0.32 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3gpg h HIS 127 CO 0.01 0.82 -0.06 1.25 0.86 0.00 0.00 177.93 180.82 3gpg h LEU 128 N 0.65 -0.13 -0.46 2.43 6.46 -0.47 -2.06 115.31 121.72 3gpg h LEU 128 Ca 0.11 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 3gpg h LEU 128 Cb 0.61 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.55 3gpg h LEU 128 CO 0.04 -0.09 0.30 -0.26 -0.62 0.00 0.00 178.44 177.81 3gpg h PHE 129 N -0.16 0.58 -0.77 1.25 0.04 -0.94 0.14 116.94 117.08 3gpg h PHE 129 Ca -0.02 0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.88 3gpg h PHE 129 Cb 0.13 -0.20 -0.08 0.00 2.20 0.00 0.00 35.95 38.00 3gpg h PHE 129 CO -0.07 0.37 0.39 1.15 -0.60 0.00 0.00 178.31 179.55 3gpg h THR 130 N 0.62 0.80 0.02 -1.55 2.02 -0.87 0.75 112.91 114.70 3gpg h THR 130 Ca 0.17 -0.21 -0.16 0.00 0.77 0.00 0.00 66.41 66.97 3gpg h THR 130 Cb -0.06 0.13 0.01 0.00 -1.74 0.00 0.00 68.15 66.49 3gpg h THR 130 CO -0.04 0.11 -0.64 0.00 0.37 0.00 0.00 175.52 175.33 3gpg h ALA 131 N 1.48 0.06 0.00 6.16 0.00 -1.09 -3.37 119.26 122.50 3gpg h ALA 131 Ca 0.39 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3gpg h ALA 131 Cb 0.47 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3gpg h ALA 131 CO -0.30 0.36 -0.46 -1.33 0.00 0.00 0.00 179.25 177.51 3gpg n MET 132 N -4.20 0.27 0.20 0.00 2.00 0.45 -3.99 117.12 111.86 3gpg n MET 132 Ca -0.11 0.11 0.06 0.00 0.00 0.00 0.00 57.70 57.77 3gpg n MET 132 Cb 0.70 -1.71 0.56 0.00 0.00 0.00 0.00 33.22 32.77 3gpg n MET 132 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 3gpg h ASP 133 N 0.00 0.09 0.08 7.83 3.32 -1.02 -1.18 116.42 125.55 3gpg h ASP 133 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3gpg h ASP 133 Cb 0.73 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3gpg h ASP 133 CO 0.00 0.11 -0.07 -1.54 -1.72 0.00 0.00 179.24 176.03 3gpg n SER 134 N -4.47 1.11 -4.92 6.45 3.41 -1.26 -4.85 113.62 109.09 3gpg n SER 134 Ca -0.02 -1.21 -0.26 0.00 -0.26 0.00 0.00 58.87 57.13 3gpg n SER 134 Cb 0.13 0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.08 3gpg n SER 134 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3gpg s THR 135 N -2.16 5.01 -0.84 6.66 -4.23 -0.45 -5.02 115.64 114.62 3gpg s THR 135 Ca 0.35 -0.11 0.12 0.00 -1.18 0.00 0.00 61.69 60.88 3gpg s THR 135 Cb 0.21 -3.84 0.37 0.00 1.34 0.00 0.00 72.50 70.57 3gpg s THR 135 CO 0.39 -0.62 1.30 -0.90 -0.54 0.00 0.00 174.62 174.25 3gpg n ASP 136 N -1.80 3.17 -4.79 3.99 5.68 -1.26 -5.00 116.55 116.54 3gpg n ASP 136 Ca -0.02 -2.18 -0.35 0.00 -0.50 0.00 0.00 54.79 51.73 3gpg n ASP 136 Cb 0.55 -0.30 -0.05 0.00 -1.14 0.00 0.00 41.12 40.18 3gpg n ASP 136 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gpg s ALA 137 N -1.33 3.04 0.07 2.12 0.00 -1.26 -4.56 121.76 119.84 3gpg s ALA 137 Ca 0.28 0.58 -0.31 0.00 0.00 0.00 0.00 51.96 52.51 3gpg s ALA 137 Cb 0.17 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 20.00 3gpg s ALA 137 CO 0.15 -0.10 1.31 -0.51 0.00 0.00 0.00 175.76 176.62 3gpg s ASP 138 N -1.82 6.93 -0.15 0.00 1.01 0.26 -4.46 116.67 118.44 3gpg s ASP 138 Ca 0.60 2.15 -0.03 0.00 0.71 0.00 0.00 52.55 55.97 3gpg s ASP 138 Cb -0.17 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.16 3gpg s ASP 138 CO 0.22 -0.60 -0.04 -0.69 0.21 0.00 0.00 175.17 174.27 3gpg s VAL 139 N 1.38 3.83 -0.22 -1.27 1.01 -0.34 -1.14 120.40 123.66 3gpg s VAL 139 Ca 0.62 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3gpg s VAL 139 Cb -0.33 -2.67 0.04 0.00 0.00 0.00 0.00 36.38 33.42 3gpg s VAL 139 CO 0.29 0.50 -0.15 -0.69 0.00 0.00 0.00 175.10 175.04 3gpg s VAL 140 N 0.36 2.17 -0.06 2.92 1.01 -0.15 -1.38 120.40 125.26 3gpg s VAL 140 Ca -0.05 -1.24 -0.20 0.00 0.00 0.00 0.00 61.98 60.49 3gpg s VAL 140 Cb -0.14 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3gpg s VAL 140 CO 0.03 0.28 0.57 -0.63 0.00 0.00 0.00 175.10 175.35 3gpg s ILE 141 N 1.21 5.06 -0.12 2.22 1.01 0.74 -0.86 121.20 130.46 3gpg s ILE 141 Ca -0.01 1.16 -0.03 0.00 0.00 0.00 0.00 60.65 61.77 3gpg s ILE 141 Cb -0.16 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 3gpg s ILE 141 CO -0.09 0.35 -0.01 -0.31 0.00 0.00 0.00 174.94 174.87 3gpg s TYR 142 N 0.34 3.10 0.24 3.97 2.02 -0.29 -0.81 117.35 125.92 3gpg s TYR 142 Ca 0.30 -0.01 0.01 0.00 -0.37 0.00 0.00 57.07 57.00 3gpg s TYR 142 Cb -0.17 -1.88 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 3gpg s TYR 142 CO 0.15 0.24 0.16 0.00 -1.57 0.00 0.00 175.55 174.53 3gpg n ARG 144 N -0.37 1.72 -3.17 0.00 5.12 -1.26 -1.80 116.66 116.90 3gpg n ARG 144 Ca 0.03 -0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.56 3gpg n ARG 144 Cb 0.65 -1.01 -0.05 0.00 -1.16 0.00 0.00 32.46 30.89 3gpg n ARG 144 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3gpg s ASP 145 N -2.48 6.99 0.21 0.55 2.15 -1.26 -4.90 116.67 117.93 3gpg s ASP 145 Ca -0.00 1.18 -0.10 0.00 0.43 0.00 0.00 52.55 54.06 3gpg s ASP 145 Cb 0.00 -2.38 0.15 0.00 -0.30 0.00 0.00 42.92 40.40 3gpg s ASP 145 CO 0.02 0.07 1.84 0.11 -0.17 0.00 0.00 175.17 177.04 3gpg h LYS 146 N 5.76 1.05 -0.31 4.34 1.79 -2.00 -0.99 116.57 126.22 3gpg h LYS 146 Ca -0.45 -0.11 -0.14 0.00 -2.18 0.00 0.00 60.65 57.78 3gpg h LYS 146 Cb 1.20 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.63 3gpg h LYS 146 CO 0.70 0.76 -0.37 0.93 -1.08 0.00 0.00 179.45 180.40 3gpg h GLU 147 N 1.05 0.71 -0.65 3.15 4.39 -2.00 -2.78 114.58 118.44 3gpg h GLU 147 Ca 0.27 -0.35 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 3gpg h GLU 147 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 3gpg h GLU 147 CO -0.05 0.96 0.18 -1.49 -1.16 0.00 0.00 179.01 177.46 3gpg h TRP 148 N 0.59 1.04 -0.45 4.33 4.06 -1.91 -1.80 115.95 121.80 3gpg h TRP 148 Ca 0.06 -0.10 0.05 0.00 2.06 0.00 0.00 58.89 60.95 3gpg h TRP 148 Cb 0.90 -0.30 -0.05 0.00 -1.00 0.00 0.00 29.16 28.71 3gpg h TRP 148 CO 0.04 0.84 0.19 1.49 -3.56 0.00 0.00 178.44 177.45 3gpg h GLU 149 N 0.96 0.37 -0.54 0.49 4.81 -0.98 0.52 114.58 120.22 3gpg h GLU 149 Ca 0.21 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 3gpg h GLU 149 Cb 0.31 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3gpg h GLU 149 CO -0.00 0.25 0.28 0.87 -0.73 0.00 0.00 179.01 179.67 3gpg h LYS 150 N 0.39 0.77 -0.51 1.92 1.57 -1.22 -0.81 116.57 118.68 3gpg h LYS 150 Ca 0.21 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 3gpg h LYS 150 Cb 0.17 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3gpg h LYS 150 CO -0.18 0.62 -0.12 0.87 -0.57 0.00 0.00 179.45 180.07 3gpg h LYS 151 N 0.72 0.95 -0.35 3.15 1.57 -0.78 -0.39 116.57 121.44 3gpg h LYS 151 Ca 0.19 -0.35 -0.13 0.00 -1.87 0.00 0.00 60.65 58.49 3gpg h LYS 151 Cb 0.09 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3gpg h LYS 151 CO -0.03 1.01 -0.29 0.82 -0.57 0.00 0.00 179.45 180.39 3gpg h ILE 152 N 0.85 1.28 -0.52 1.86 2.04 -0.75 -1.36 117.51 120.91 3gpg h ILE 152 Ca 0.13 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.52 3gpg h ILE 152 Cb 0.66 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3gpg h ILE 152 CO 0.05 0.48 0.26 -1.28 0.00 0.00 0.00 178.15 177.65 3gpg h SER 153 N 0.61 0.68 -0.83 1.72 0.87 -0.89 -1.03 113.55 114.67 3gpg h SER 153 Ca 0.06 -0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.54 3gpg h SER 153 Cb 0.87 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 62.60 3gpg h SER 153 CO 0.08 0.61 0.52 -0.33 -0.53 0.00 0.00 176.83 177.18 3gpg h GLU 154 N 0.70 0.96 -0.41 2.24 5.08 -0.99 -1.31 114.58 120.85 3gpg h GLU 154 Ca 0.18 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 3gpg h GLU 154 Cb 0.11 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3gpg h GLU 154 CO -0.02 0.64 -0.21 0.00 -1.00 0.00 0.00 179.01 178.41 3gpg h ALA 155 N 1.37 0.86 0.06 3.43 0.00 -0.64 -0.62 119.26 123.72 3gpg h ALA 155 Ca 0.35 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gpg h ALA 155 Cb 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3gpg h ALA 155 CO -0.14 0.63 -0.03 0.82 0.00 0.00 0.00 179.25 180.54 3gpg h ILE 156 N 0.70 1.06 -0.52 0.00 2.04 -0.95 -3.21 117.51 116.63 3gpg h ILE 156 Ca 0.10 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 3gpg h ILE 156 Cb 0.73 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 3gpg h ILE 156 CO 0.06 0.10 0.16 1.56 0.00 0.00 0.00 178.15 180.02 3gpg h GLN 157 N -0.25 0.78 -0.32 2.37 1.08 -1.12 -2.67 115.11 114.98 3gpg h GLN 157 Ca -0.01 -0.14 0.04 0.00 -1.45 0.00 0.00 58.65 57.09 3gpg h GLN 157 Cb 0.22 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 3gpg h GLN 157 CO 0.01 0.68 0.21 1.98 -0.95 0.00 0.00 178.83 180.77 3gpg h MET 158 N 0.76 0.26 -0.00 1.46 4.05 -1.11 -1.94 114.93 118.41 3gpg h MET 158 Ca 0.17 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 3gpg h MET 158 Cb 0.23 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 3gpg h MET 158 CO -0.01 0.17 -0.48 2.89 0.23 0.00 0.00 176.91 179.72 3gpg n ARG 159 N -4.49 0.08 0.00 0.39 1.85 -1.01 -5.11 116.66 108.37 3gpg n ARG 159 Ca 0.03 -0.05 0.14 0.00 -1.00 0.00 0.00 57.85 56.97 3gpg n ARG 159 Cb 0.19 -1.50 0.81 0.00 -1.05 0.00 0.00 32.46 30.91 3gpg n ARG 159 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03