#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpg s PRO 2 N 0.00 3.69 0.12 0.00 0.04 -1.21 -4.70 135.00 132.93 3gpg s PRO 2 Ca 0.00 0.10 0.04 0.00 0.04 0.00 0.00 61.00 61.18 3gpg s PRO 2 Cb 0.00 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 3gpg s PRO 2 CO 0.00 0.28 0.07 -1.54 0.04 0.00 0.00 177.00 175.85 3gpg s SER 3 N -2.77 5.34 -0.04 6.66 1.04 -1.25 -5.00 113.70 117.69 3gpg s SER 3 Ca 0.45 -0.12 0.05 0.00 0.48 0.00 0.00 55.95 56.81 3gpg s SER 3 Cb -0.11 -1.36 -0.01 0.00 0.10 0.00 0.00 66.02 64.64 3gpg s SER 3 CO 0.26 0.13 -0.19 -0.31 0.98 0.00 0.00 173.24 174.11 3gpg s TYR 4 N -1.51 1.84 0.07 5.02 1.51 -1.26 -0.58 117.35 122.45 3gpg s TYR 4 Ca 0.29 -0.48 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 3gpg s TYR 4 Cb -0.11 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 3gpg s TYR 4 CO 0.21 -0.14 -0.05 0.50 -1.11 0.00 0.00 175.55 174.97 3gpg s ARG 5 N -0.13 0.72 -0.03 -0.62 3.52 -0.51 -4.99 118.95 116.90 3gpg s ARG 5 Ca -0.01 -1.26 0.05 0.00 -0.13 0.00 0.00 55.73 54.38 3gpg s ARG 5 Cb -0.11 -0.01 -0.01 0.00 -1.56 0.00 0.00 34.95 33.26 3gpg s ARG 5 CO 0.02 -0.06 -0.16 0.54 -0.81 0.00 0.00 175.30 174.82 3gpg s VAL 6 N -3.67 1.34 -0.04 7.11 0.11 -1.26 -0.35 120.40 123.64 3gpg s VAL 6 Ca 0.09 -0.69 0.03 0.00 -2.93 0.00 0.00 61.98 58.48 3gpg s VAL 6 Cb 0.06 -1.13 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 3gpg s VAL 6 CO -0.07 0.38 -0.14 -0.54 -3.33 0.00 0.00 175.10 171.41 3gpg s LYS 7 N -0.15 1.47 -0.89 1.54 1.02 0.02 -4.94 119.74 117.81 3gpg s LYS 7 Ca 0.01 -0.48 -0.16 0.00 0.02 0.00 0.00 55.97 55.36 3gpg s LYS 7 Cb -0.09 -1.30 0.18 0.00 -0.52 0.00 0.00 37.83 36.10 3gpg s LYS 7 CO 0.01 0.18 0.95 0.50 -0.92 0.00 0.00 175.35 176.07 3gpg s ARG 8 N 0.14 3.62 0.05 1.68 3.52 -1.26 -1.68 118.95 125.03 3gpg s ARG 8 Ca -0.04 -2.16 -0.28 0.00 -0.13 0.00 0.00 55.73 53.12 3gpg s ARG 8 Cb -0.11 -4.67 0.09 0.00 -1.56 0.00 0.00 34.95 28.70 3gpg s ARG 8 CO 0.02 -1.52 1.01 0.00 -0.81 0.00 0.00 175.30 174.00 3gpg s MET 9 N 1.33 0.89 -0.01 5.12 0.23 -0.64 -4.94 119.30 121.28 3gpg s MET 9 Ca 0.26 -0.45 -0.30 0.00 -1.03 0.00 0.00 55.69 54.17 3gpg s MET 9 Cb -0.07 0.33 -0.07 0.00 -1.53 0.00 0.00 34.83 33.49 3gpg s MET 9 CO -0.09 -0.40 1.87 0.34 -2.03 0.00 0.00 175.02 174.71 3gpg s ASP 10 N -2.76 6.46 0.63 -1.18 -1.08 -1.26 -4.32 116.67 113.17 3gpg s ASP 10 Ca 0.10 2.46 0.36 0.00 -0.52 0.00 0.00 52.55 54.95 3gpg s ASP 10 Cb -0.00 -2.53 2.05 0.00 -1.46 0.00 0.00 42.92 40.98 3gpg s ASP 10 CO -0.02 -1.07 2.25 -0.29 0.52 0.00 0.00 175.17 176.55 3gpg h ILE 11 N 5.72 0.23 0.00 4.11 2.10 -1.95 -0.62 117.51 127.09 3gpg h ILE 11 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.49 3gpg h ILE 11 Cb 1.22 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 37.88 3gpg h ILE 11 CO 0.95 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 178.02 3gpg n ALA 12 N -2.17 1.45 -1.22 0.18 0.00 -1.26 -2.12 120.51 115.37 3gpg n ALA 12 Ca -0.02 0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.48 3gpg n ALA 12 Cb 0.15 -1.22 0.21 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.75 2.07 -0.91 0.00 5.02 -0.24 -4.99 118.16 117.36 3gpg n LYS 13 Ca 0.02 -2.94 -0.31 0.00 -2.02 0.00 0.00 58.31 53.06 3gpg n LYS 13 Cb 0.13 -1.74 0.14 0.00 -0.02 0.00 0.00 35.03 33.54 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 -2.48 3.51 -0.24 4.39 2.20 -0.90 -4.98 114.94 116.45 3gpg s ASN 14 Ca 0.40 2.05 0.13 0.00 -0.94 0.00 0.00 52.86 54.51 3gpg s ASN 14 Cb 0.35 -2.55 0.53 0.00 -2.00 0.00 0.00 41.25 37.58 3gpg s ASN 14 CO 0.03 -2.71 1.47 -0.67 -2.94 0.00 0.00 177.10 172.28 3gpg n ASP 15 N -3.97 3.39 -4.88 3.54 2.03 -1.26 -5.02 116.55 110.38 3gpg n ASP 15 Ca 0.11 -3.32 -0.22 0.00 0.52 0.00 0.00 54.79 51.87 3gpg n ASP 15 Cb 0.52 -0.60 -0.02 0.00 -0.72 0.00 0.00 41.12 40.30 3gpg n ASP 15 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3gpg s GLU 16 N -3.01 2.44 0.37 -0.67 8.01 -1.26 -5.03 118.70 119.55 3gpg s GLU 16 Ca 0.44 -1.66 0.26 0.00 0.01 0.00 0.00 54.97 54.02 3gpg s GLU 16 Cb 0.37 -2.30 0.77 0.00 -4.31 0.00 0.00 34.13 28.66 3gpg s GLU 16 CO 0.06 -0.30 1.75 0.93 0.01 0.00 0.00 175.26 177.70 3gpg h GLU 17 N 0.96 0.00 -3.32 1.61 5.08 -1.93 -3.46 114.58 113.52 3gpg h GLU 17 Ca -0.40 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 3gpg h GLU 17 Cb 1.27 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.46 3gpg h GLU 17 CO 0.57 0.00 0.07 0.00 -1.00 0.00 0.00 179.01 178.66 3gpg s VAL 19 N -3.76 0.99 -0.26 0.00 0.11 -0.84 -1.45 120.40 115.19 3gpg s VAL 19 Ca 0.17 -0.90 -0.11 0.00 -2.93 0.00 0.00 61.98 58.21 3gpg s VAL 19 Cb -0.03 -0.90 -0.05 0.00 -1.53 0.00 0.00 36.38 33.86 3gpg s VAL 19 CO 0.09 0.00 0.18 -0.69 -3.33 0.00 0.00 175.10 171.36 3gpg s VAL 20 N -0.79 5.33 0.11 2.04 1.01 0.32 0.01 120.40 128.43 3gpg s VAL 20 Ca 0.01 0.20 -0.22 0.00 0.00 0.00 0.00 61.98 61.97 3gpg s VAL 20 Cb -0.07 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.71 3gpg s VAL 20 CO 0.01 0.30 0.66 0.21 0.00 0.00 0.00 175.10 176.28 3gpg s ASN 21 N 1.36 7.20 -1.25 3.32 2.47 0.22 -4.34 114.94 123.92 3gpg s ASN 21 Ca 0.08 1.42 -0.17 0.00 0.42 0.00 0.00 52.86 54.61 3gpg s ASN 21 Cb -0.15 -2.42 0.09 0.00 -1.45 0.00 0.00 41.25 37.33 3gpg s ASN 21 CO 0.07 0.23 1.63 0.00 -3.72 0.00 0.00 177.10 175.32 3gpg s ALA 22 N -1.05 3.45 0.62 1.71 0.00 -1.26 -1.56 121.76 123.66 3gpg s ALA 22 Ca 0.32 -2.98 -0.07 0.00 0.00 0.00 0.00 51.96 49.23 3gpg s ALA 22 Cb -0.21 -4.50 0.02 0.00 0.00 0.00 0.00 23.12 18.42 3gpg s ALA 22 CO 0.22 -3.19 0.94 0.00 0.00 0.00 0.00 175.76 173.73 3gpg s ALA 23 N 3.60 3.24 0.25 0.00 0.00 -0.37 -4.19 121.76 124.29 3gpg s ALA 23 Ca 0.50 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.85 3gpg s ALA 23 Cb 0.02 -2.65 -0.03 0.00 0.00 0.00 0.00 23.12 20.45 3gpg s ALA 23 CO 0.05 -0.90 0.23 0.54 0.00 0.00 0.00 175.76 175.67 3gpg s ASN 24 N -4.34 5.62 0.48 0.00 2.20 -1.26 -4.31 114.94 113.34 3gpg s ASN 24 Ca 0.55 -0.22 0.32 0.00 -0.94 0.00 0.00 52.86 52.57 3gpg s ASN 24 Cb -0.11 -1.44 1.41 0.00 -2.00 0.00 0.00 41.25 39.11 3gpg s ASN 24 CO 0.46 -0.06 1.95 1.55 -2.94 0.00 0.00 177.10 178.06 3gpg h PRO 25 N 1.43 0.00 -0.02 3.55 0.13 -1.94 -2.71 132.00 132.44 3gpg h PRO 25 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3gpg h PRO 25 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3gpg h PRO 25 CO 0.61 0.00 -0.05 0.54 -0.23 0.00 0.00 178.00 178.86 3gpg n ARG 26 N -2.82 1.96 -2.20 0.86 1.74 -1.26 -2.02 116.66 112.91 3gpg n ARG 26 Ca 0.00 -1.48 -0.14 0.00 -0.77 0.00 0.00 57.85 55.46 3gpg n ARG 26 Cb 0.24 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.20 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 1.30 -0.09 3.86 -0.13 0.00 -1.02 -4.54 105.19 104.57 3gpg n GLY 27 Ca 0.15 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.88 3.49 0.33 0.99 1.43 -1.26 -4.83 118.68 114.95 3gpg s LEU 28 Ca 0.00 1.47 0.05 0.00 -1.03 0.00 0.00 54.13 54.62 3gpg s LEU 28 Cb 0.00 -4.45 0.68 0.00 0.03 0.00 0.00 46.19 42.46 3gpg s LEU 28 CO 0.00 -0.68 1.89 -0.65 0.23 0.00 0.00 176.35 177.15 3gpg h PRO 29 N 0.47 0.82 0.00 1.29 0.11 -1.95 -3.44 132.00 129.30 3gpg h PRO 29 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3gpg h PRO 29 Cb 1.19 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3gpg h PRO 29 CO 0.62 0.54 0.00 0.41 -0.21 0.00 0.00 178.00 179.36 3gpg n GLY 30 N -1.41 0.15 3.27 -0.55 0.00 -1.26 -2.29 105.19 103.10 3gpg n GLY 30 Ca 0.15 -0.92 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 3gpg n GLY 30 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gpg n ASP 31 N -0.47 -1.18 0.00 1.61 5.75 -1.26 -4.48 116.55 116.52 3gpg n ASP 31 Ca 0.00 -2.93 0.00 0.00 -0.01 0.00 0.00 54.79 51.85 3gpg n ASP 31 Cb 0.00 2.29 0.00 0.00 -1.03 0.00 0.00 41.12 42.38 3gpg n ASP 31 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gpg n GLY 32 N -0.58 3.24 0.20 6.12 0.00 -1.26 -2.59 105.19 110.31 3gpg n GLY 32 Ca 0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 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 0.95 -0.71 1.61 2.07 -1.97 -2.28 116.25 115.91 3gpg h VAL 33 Ca 0.00 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.43 3gpg h VAL 33 Cb 0.00 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.15 3gpg h VAL 33 CO 0.00 0.09 0.40 0.00 0.02 0.00 0.00 177.57 178.07 3gpg h LYS 35 N 0.72 1.02 -0.54 0.00 1.63 -1.02 0.68 116.57 119.06 3gpg h LYS 35 Ca 0.32 -0.21 -0.07 0.00 -0.85 0.00 0.00 60.65 59.85 3gpg h LYS 35 Cb 0.22 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 3gpg h LYS 35 CO -0.20 0.88 0.06 0.00 -3.45 0.00 0.00 179.45 176.75 3gpg h ALA 36 N 1.09 1.10 -0.56 5.00 0.00 -0.79 -1.17 119.26 123.93 3gpg h ALA 36 Ca 0.22 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3gpg h ALA 36 Cb 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3gpg h ALA 36 CO -0.01 0.58 -0.07 0.28 0.00 0.00 0.00 179.25 180.04 3gpg h VAL 37 N 0.82 1.27 -0.62 0.00 2.07 -0.74 -2.19 116.25 116.86 3gpg h VAL 37 Ca 0.17 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 3gpg h VAL 37 Cb 0.40 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3gpg h VAL 37 CO 0.01 0.44 0.35 0.22 0.02 0.00 0.00 177.57 178.60 3gpg h TYR 38 N 0.93 0.85 -0.44 1.57 3.20 -0.58 0.67 116.97 123.17 3gpg h TYR 38 Ca 0.15 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 3gpg h TYR 38 Cb 0.63 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 3gpg h TYR 38 CO 0.04 0.61 0.00 0.87 -1.64 0.00 0.00 178.16 178.04 3gpg h LYS 39 N 0.85 0.71 0.14 1.82 1.57 -1.05 -2.15 116.57 118.46 3gpg h LYS 39 Ca 0.22 -0.18 -0.25 0.00 -1.87 0.00 0.00 60.65 58.57 3gpg h LYS 39 Cb 0.03 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.26 3gpg h LYS 39 CO -0.04 0.72 -1.23 -0.22 -0.57 0.00 0.00 179.45 178.12 3gpg h LYS 40 N 0.67 0.30 -2.07 3.15 1.63 -1.24 -3.41 116.57 115.60 3gpg h LYS 40 Ca 0.14 -0.51 -0.54 0.00 -0.85 0.00 0.00 60.65 58.89 3gpg h LYS 40 Cb 0.41 0.19 -0.41 0.00 -0.60 0.00 0.00 32.23 31.82 3gpg h LYS 40 CO 0.02 1.24 -0.87 0.91 -3.45 0.00 0.00 179.45 177.30 3gpg n TRP 41 N -3.96 2.52 0.24 1.91 8.01 0.21 -4.94 117.44 121.44 3gpg n TRP 41 Ca -0.20 -3.82 0.06 0.00 -1.31 0.00 0.00 57.50 52.23 3gpg n TRP 41 Cb 0.90 -0.43 0.55 0.00 -2.01 0.00 0.00 31.31 30.32 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 2.96 0.00 0.00 -0.99 0.13 -1.56 -1.14 132.00 131.40 3gpg h PRO 42 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 3gpg h PRO 42 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 3gpg h PRO 42 CO 0.70 0.12 -0.04 0.93 -0.23 0.00 0.00 178.00 179.48 3gpg h GLU 43 N 0.00 0.00 0.00 0.86 3.07 -1.92 -1.77 114.58 114.82 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 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3gpg h GLU 43 CO 0.02 0.04 0.00 -1.13 -1.40 0.00 0.00 179.01 176.54 3gpg n SER 44 N -3.60 0.00 -0.87 1.42 3.41 -0.43 -2.76 113.62 110.78 3gpg n SER 44 Ca -0.02 -0.30 0.11 0.00 -0.26 0.00 0.00 58.87 58.39 3gpg n SER 44 Cb 0.14 -0.19 0.28 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.19 0.42 -2.17 7.33 3.72 -0.67 -4.58 117.46 120.33 3gpg n PHE 45 Ca 0.14 -0.21 -0.43 0.00 -0.05 0.00 0.00 57.45 56.90 3gpg n PHE 45 Cb 0.16 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.68 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 -1.58 3.70 -1.40 -1.08 2.20 -1.11 -3.01 119.74 117.45 3gpg s LYS 46 Ca 0.35 1.46 -0.06 0.00 -0.36 0.00 0.00 55.97 57.36 3gpg s LYS 46 Cb 0.20 -4.04 0.04 0.00 -1.51 0.00 0.00 37.83 32.51 3gpg s LYS 46 CO 0.28 -1.41 0.84 0.09 -0.36 0.00 0.00 175.35 174.78 3gpg n ASN 47 N 8.72 -2.88 0.00 1.43 3.02 -1.26 -4.90 115.26 119.39 3gpg n ASN 47 Ca 0.19 -0.79 0.12 0.00 -0.03 0.00 0.00 54.58 54.07 3gpg n ASN 47 Cb 0.46 -4.03 0.24 0.00 -0.61 0.00 0.00 39.78 35.85 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 -2.96 0.51 -4.72 6.41 3.41 -1.17 -4.93 113.62 110.17 3gpg n SER 48 Ca -0.15 -0.23 -0.42 0.00 -0.26 0.00 0.00 58.87 57.81 3gpg n SER 48 Cb 0.61 0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 64.80 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 -1.52 1.66 -3.53 7.33 0.00 -1.26 -4.70 120.51 118.49 3gpg n ALA 49 Ca 0.05 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.72 3gpg n ALA 49 Cb 0.34 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.43 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 -0.92 0.00 0.77 0.00 -1.32 -0.86 -4.94 115.64 108.37 3gpg s THR 50 Ca 0.57 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.94 3gpg s THR 50 Cb -0.55 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.50 3gpg s THR 50 CO 0.60 0.00 1.08 -2.84 -2.21 0.00 0.00 174.62 171.26 3gpg s PRO 51 N -1.69 2.32 0.29 7.08 0.02 -1.26 -4.34 135.00 137.41 3gpg s PRO 51 Ca -0.04 1.03 -0.30 0.00 0.02 0.00 0.00 61.00 61.71 3gpg s PRO 51 Cb -0.00 -1.91 -0.12 0.00 0.02 0.00 0.00 34.50 32.48 3gpg s PRO 51 CO 0.02 -1.55 1.46 0.28 -0.33 0.00 0.00 177.00 176.88 3gpg n VAL 52 N -3.45 1.25 -0.74 3.83 0.31 -1.26 -1.97 118.33 116.30 3gpg n VAL 52 Ca 0.08 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3gpg n VAL 52 Cb 0.54 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 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 1.77 0.61 3.42 2.92 0.00 0.34 -4.99 105.19 109.27 3gpg n GLY 53 Ca 0.08 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 1.21 0.03 2.61 -4.23 -0.83 -3.16 115.64 109.26 3gpg s THR 54 Ca 0.00 -2.03 0.04 0.00 -1.18 0.00 0.00 61.69 58.53 3gpg s THR 54 Cb 0.00 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 3gpg s THR 54 CO 0.00 -0.11 -0.13 0.00 -0.54 0.00 0.00 174.62 173.84 3gpg s ALA 55 N -3.29 1.07 -0.06 3.99 0.00 -1.26 -1.40 121.76 120.81 3gpg s ALA 55 Ca 0.34 -0.73 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 3gpg s ALA 55 Cb 0.07 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.03 3gpg s ALA 55 CO 0.14 0.21 -0.02 0.21 0.00 0.00 0.00 175.76 176.30 3gpg s LYS 56 N -0.92 0.69 -0.13 0.00 2.20 0.12 -4.95 119.74 116.74 3gpg s LYS 56 Ca 0.02 0.02 -0.16 0.00 -0.36 0.00 0.00 55.97 55.49 3gpg s LYS 56 Cb -0.07 -0.90 -0.04 0.00 -1.51 0.00 0.00 37.83 35.30 3gpg s LYS 56 CO 0.01 -0.21 0.39 0.99 -0.36 0.00 0.00 175.35 176.17 3gpg s THR 57 N 1.52 5.24 -0.05 3.43 2.01 -1.26 -0.75 115.64 125.77 3gpg s THR 57 Ca -0.02 0.76 0.03 0.00 0.31 0.00 0.00 61.69 62.77 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 0.36 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.45 3gpg s VAL 58 N 0.48 1.10 0.37 3.82 1.01 -0.44 -4.98 120.40 121.77 3gpg s VAL 58 Ca 0.22 -0.49 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 3gpg s VAL 58 Cb -0.14 -0.99 -0.09 0.00 0.00 0.00 0.00 36.38 35.15 3gpg s VAL 58 CO 0.07 0.34 1.01 -0.04 0.00 0.00 0.00 175.10 176.48 3gpg s MET 59 N 0.45 4.36 -0.37 2.72 -1.94 -1.26 -1.67 119.30 121.60 3gpg s MET 59 Ca -0.10 1.43 -0.02 0.00 -1.71 0.00 0.00 55.69 55.29 3gpg s MET 59 Cb -0.13 -2.65 0.09 0.00 2.01 0.00 0.00 34.83 34.14 3gpg s MET 59 CO 0.03 0.05 0.12 0.00 -0.01 0.00 0.00 175.02 175.21 3gpg n GLY 61 N 4.56 2.92 0.55 0.00 0.00 -1.26 -1.09 105.19 110.87 3gpg n GLY 61 Ca -0.05 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 0.89 -3.25 2.61 -2.24 -1.26 -4.98 114.28 106.05 3gpg n THR 62 Ca 0.00 -0.95 -0.41 0.00 -2.27 0.00 0.00 64.05 60.43 3gpg n THR 62 Cb 0.00 0.58 -0.08 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 -0.98 3.21 0.04 4.78 5.04 -0.25 -5.04 117.35 124.15 3gpg s TYR 63 Ca 0.20 0.32 -0.30 0.00 -2.44 0.00 0.00 57.07 54.85 3gpg s TYR 63 Cb 0.11 -2.84 -0.05 0.00 0.35 0.00 0.00 41.96 39.53 3gpg s TYR 63 CO 0.14 -0.44 1.08 -2.14 -1.34 0.00 0.00 175.55 172.85 3gpg s PRO 64 N 2.34 4.52 -0.26 4.97 0.02 -1.26 -0.69 135.00 144.64 3gpg s PRO 64 Ca 0.19 1.59 -0.04 0.00 0.02 0.00 0.00 61.00 62.75 3gpg s PRO 64 Cb -0.15 -3.39 0.01 0.00 0.02 0.00 0.00 34.50 30.98 3gpg s PRO 64 CO 0.12 -0.11 0.00 0.08 -0.33 0.00 0.00 177.00 176.76 3gpg s VAL 65 N 0.88 3.45 -0.53 3.83 1.01 -0.67 -1.99 120.40 126.38 3gpg s VAL 65 Ca 0.54 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 3gpg s VAL 65 Cb -0.25 -2.73 0.08 0.00 0.00 0.00 0.00 36.38 33.48 3gpg s VAL 65 CO 0.29 0.19 0.58 -0.63 0.00 0.00 0.00 175.10 175.53 3gpg s ILE 66 N 1.43 4.99 -0.45 2.22 1.01 0.10 -1.32 121.20 129.18 3gpg s ILE 66 Ca 0.02 -0.91 -0.28 0.00 0.00 0.00 0.00 60.65 59.49 3gpg s ILE 66 Cb -0.16 -4.32 0.03 0.00 0.01 0.00 0.00 42.46 38.02 3gpg s ILE 66 CO -0.01 -0.85 1.05 -1.00 0.00 0.00 0.00 174.94 174.13 3gpg s HIS 67 N 2.27 2.90 -0.20 3.97 3.76 0.07 -0.61 115.29 127.45 3gpg s HIS 67 Ca 0.10 0.68 -0.03 0.00 -0.15 0.00 0.00 55.06 55.65 3gpg s HIS 67 Cb -0.23 -4.16 -0.01 0.00 1.11 0.00 0.00 32.58 29.28 3gpg s HIS 67 CO 0.08 -1.13 -0.05 0.00 -0.85 0.00 0.00 174.74 172.78 3gpg s ALA 68 N 4.10 2.83 -0.47 -1.40 0.00 -0.60 -0.71 121.76 125.50 3gpg s ALA 68 Ca 0.44 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 3gpg s ALA 68 Cb -0.09 -1.64 0.11 0.00 0.00 0.00 0.00 23.12 21.50 3gpg s ALA 68 CO 0.27 -0.26 0.35 0.08 0.00 0.00 0.00 175.76 176.20 3gpg s VAL 69 N 1.19 4.42 0.57 0.00 1.01 -0.50 -1.24 120.40 125.86 3gpg s VAL 69 Ca 0.02 -1.61 -0.07 0.00 0.00 0.00 0.00 61.98 60.32 3gpg s VAL 69 Cb -0.14 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3gpg s VAL 69 CO -0.01 -0.72 0.91 -0.83 0.00 0.00 0.00 175.10 174.45 3gpg s GLY 70 N 2.68 1.58 0.46 4.51 0.00 -1.26 -0.50 107.32 114.79 3gpg s GLY 70 Ca 0.05 -0.48 -0.23 0.00 0.00 0.00 0.00 44.72 44.06 3gpg s GLY 70 CO 0.01 -0.23 1.15 2.56 0.00 0.00 0.00 173.10 176.59 3gpg s PRO 71 N -4.98 3.76 -0.40 2.90 0.04 -1.26 -4.80 135.00 130.25 3gpg s PRO 71 Ca 0.52 1.72 -0.25 0.00 0.04 0.00 0.00 61.00 63.04 3gpg s PRO 71 Cb -0.11 -2.37 0.02 0.00 0.04 0.00 0.00 34.50 32.08 3gpg s PRO 71 CO 0.47 -0.54 0.87 1.21 0.04 0.00 0.00 177.00 179.06 3gpg s ASN 72 N -1.44 6.56 0.00 6.66 3.84 -1.26 -4.67 114.94 124.63 3gpg s ASN 72 Ca 0.64 0.31 0.13 0.00 0.21 0.00 0.00 52.86 54.14 3gpg s ASN 72 Cb -0.27 -2.43 0.58 0.00 -0.55 0.00 0.00 41.25 38.57 3gpg s ASN 72 CO 0.33 -0.89 1.39 0.49 -2.79 0.00 0.00 177.10 175.63 3gpg n PHE 73 N 6.78 0.00 0.21 0.43 3.72 0.21 -0.80 117.46 128.02 3gpg n PHE 73 Ca 0.05 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.51 3gpg n PHE 73 Cb 0.48 -0.44 0.47 0.00 -0.94 0.00 0.00 39.48 39.05 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 -1.87 -3.34 113.55 112.73 3gpg h SER 74 Ca 0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.59 3gpg h SER 74 Cb 0.19 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.67 3gpg h SER 74 CO 0.00 0.28 -2.35 0.59 -1.14 0.00 0.00 176.83 174.21 3gpg n ASN 75 N -3.97 1.08 -4.87 3.07 3.02 0.02 -4.99 115.26 108.62 3gpg n ASN 75 Ca -0.02 -0.06 -0.35 0.00 -0.03 0.00 0.00 54.58 54.13 3gpg n ASN 75 Cb 0.35 0.37 -0.05 0.00 -0.61 0.00 0.00 39.78 39.83 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 -2.48 3.58 0.97 3.10 2.02 -0.54 -5.08 117.35 118.92 3gpg s TYR 76 Ca -0.20 0.76 -0.11 0.00 -0.37 0.00 0.00 57.07 57.15 3gpg s TYR 76 Cb 0.07 -2.14 0.18 0.00 -0.40 0.00 0.00 41.96 39.67 3gpg s TYR 76 CO 0.69 0.53 1.11 -1.54 -1.57 0.00 0.00 175.55 174.77 3gpg s SER 77 N -1.77 2.53 0.22 2.29 1.04 -1.26 -4.68 113.70 112.06 3gpg s SER 77 Ca 0.33 1.99 -0.09 0.00 0.48 0.00 0.00 55.95 58.65 3gpg s SER 77 Cb -0.14 -2.49 0.22 0.00 0.10 0.00 0.00 66.02 63.71 3gpg s SER 77 CO 0.18 -3.31 1.85 -0.33 0.98 0.00 0.00 173.24 172.61 3gpg h GLU 78 N -2.01 0.88 0.43 4.02 4.39 -1.98 0.62 114.58 120.94 3gpg h GLU 78 Ca -0.48 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.15 3gpg h GLU 78 Cb 1.28 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3gpg h GLU 78 CO 0.45 0.59 -0.21 1.03 -1.16 0.00 0.00 179.01 179.70 3gpg h SER 79 N 0.91 -0.49 -0.16 1.42 0.87 -2.00 -1.05 113.55 113.05 3gpg h SER 79 Ca 0.30 -0.05 -0.15 0.00 -1.23 0.00 0.00 61.79 60.66 3gpg h SER 79 Cb 0.03 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3gpg h SER 79 CO -0.12 -0.25 -0.43 -0.33 -0.53 0.00 0.00 176.83 175.18 3gpg h GLU 80 N -0.72 0.70 -0.70 2.24 4.39 -1.92 -2.82 114.58 115.75 3gpg h GLU 80 Ca -0.06 -0.38 -0.04 0.00 0.34 0.00 0.00 59.36 59.22 3gpg h GLU 80 Cb 0.52 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 3gpg h GLU 80 CO 0.10 0.99 0.29 0.78 -1.16 0.00 0.00 179.01 180.01 3gpg h GLY 81 N 0.95 1.10 1.01 -3.84 0.00 -0.91 -0.79 103.07 100.58 3gpg h GLY 81 Ca 0.04 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 3gpg h GLY 81 CO 0.09 0.54 0.48 -1.80 0.00 0.00 0.00 176.54 175.84 3gpg h ASP 82 N 1.01 0.91 -0.32 0.19 3.58 -0.97 0.24 116.42 121.05 3gpg h ASP 82 Ca 0.24 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 3gpg h ASP 82 Cb 0.18 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 3gpg h ASP 82 CO -0.02 0.70 0.18 -0.09 -2.88 0.00 0.00 179.24 177.12 3gpg h ARG 83 N 1.05 0.45 -0.42 0.28 9.65 -1.19 -1.79 114.38 122.41 3gpg h ARG 83 Ca 0.28 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 59.03 3gpg h ARG 83 Cb -0.06 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.41 3gpg h ARG 83 CO -0.05 0.39 -0.04 0.93 2.80 0.00 0.00 179.97 183.99 3gpg h GLU 84 N 0.40 0.70 -0.29 0.20 4.39 -0.72 -1.05 114.58 118.22 3gpg h GLU 84 Ca 0.11 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 3gpg h GLU 84 Cb 0.07 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3gpg h GLU 84 CO -0.02 0.75 -0.00 1.25 -1.16 0.00 0.00 179.01 179.83 3gpg h LEU 85 N 0.65 0.50 -0.47 1.33 5.85 -0.79 -0.58 115.31 121.80 3gpg h LEU 85 Ca 0.13 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.61 3gpg h LEU 85 Cb 0.47 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3gpg h LEU 85 CO 0.02 0.69 0.12 0.00 -0.34 0.00 0.00 178.44 178.93 3gpg h ALA 86 N 0.83 0.54 -0.45 1.25 0.00 -1.15 -2.42 119.26 117.86 3gpg h ALA 86 Ca 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3gpg h ALA 86 Cb 0.43 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3gpg h ALA 86 CO 0.02 -0.28 0.25 0.00 0.00 0.00 0.00 179.25 179.24 3gpg h ALA 87 N 1.34 0.58 -0.31 0.00 0.00 -0.92 -0.41 119.26 119.54 3gpg h ALA 87 Ca 0.23 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3gpg h ALA 87 Cb 0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3gpg h ALA 87 CO -0.28 0.09 0.14 0.00 0.00 0.00 0.00 179.25 179.21 3gpg h ALA 88 N 1.10 0.37 -0.51 0.00 0.00 -0.93 -1.06 119.26 118.23 3gpg h ALA 88 Ca 0.16 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3gpg h ALA 88 Cb 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3gpg h ALA 88 CO -0.03 -0.25 -0.08 1.88 0.00 0.00 0.00 179.25 180.78 3gpg h TYR 89 N 0.30 1.01 -0.79 0.00 -1.99 -1.25 -1.22 116.97 113.03 3gpg h TYR 89 Ca 0.13 -0.19 0.02 0.00 2.00 0.00 0.00 58.73 60.70 3gpg h TYR 89 Cb 0.07 -0.26 -0.04 0.00 2.00 0.00 0.00 36.73 38.50 3gpg h TYR 89 CO -0.11 0.94 0.51 -0.09 -0.00 0.00 0.00 178.16 179.42 3gpg h ARG 90 N 0.83 1.00 -0.10 4.88 2.43 -0.64 -1.21 114.38 121.57 3gpg h ARG 90 Ca 0.14 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 3gpg h ARG 90 Cb 0.60 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3gpg h ARG 90 CO 0.04 0.66 -0.36 0.93 -1.51 0.00 0.00 179.97 179.73 3gpg h GLU 91 N 1.03 0.20 -0.10 0.20 4.39 -0.82 -1.80 114.58 117.68 3gpg h GLU 91 Ca 0.30 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 3gpg h GLU 91 Cb -0.06 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3gpg h GLU 91 CO -0.09 0.54 0.05 0.28 -1.16 0.00 0.00 179.01 178.64 3gpg h VAL 92 N 0.17 1.08 -0.72 3.13 2.07 -0.60 -1.44 116.25 119.94 3gpg h VAL 92 Ca 0.02 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3gpg h VAL 92 Cb 0.72 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3gpg h VAL 92 CO 0.05 0.07 0.41 0.00 0.02 0.00 0.00 177.57 178.12 3gpg h ALA 93 N 0.96 0.92 -0.74 1.67 0.00 -0.95 0.53 119.26 121.66 3gpg h ALA 93 Ca 0.03 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3gpg h ALA 93 Cb 0.07 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3gpg h ALA 93 CO -0.01 0.43 0.46 0.87 0.00 0.00 0.00 179.25 181.00 3gpg h LYS 94 N 0.99 0.86 -0.31 0.00 1.57 -1.22 -1.39 116.57 117.07 3gpg h LYS 94 Ca 0.26 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.88 3gpg h LYS 94 Cb 0.02 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3gpg h LYS 94 CO -0.04 0.57 -0.19 0.93 -0.57 0.00 0.00 179.45 180.15 3gpg h GLU 95 N 0.89 0.68 -0.72 3.15 4.39 -0.45 -0.68 114.58 121.84 3gpg h GLU 95 Ca 0.30 -0.31 0.04 0.00 0.34 0.00 0.00 59.36 59.73 3gpg h GLU 95 Cb 0.05 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.64 3gpg h GLU 95 CO -0.12 0.91 0.44 0.28 -1.16 0.00 0.00 179.01 179.36 3gpg h VAL 96 N 0.44 1.05 -0.13 3.13 2.07 -0.69 0.12 116.25 122.24 3gpg h VAL 96 Ca 0.07 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3gpg h VAL 96 Cb 0.73 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3gpg h VAL 96 CO 0.05 0.15 0.01 0.74 0.02 0.00 0.00 177.57 178.55 3gpg h THR 97 N 0.83 1.24 -0.83 2.57 2.02 -1.20 -2.61 112.91 114.93 3gpg h THR 97 Ca 0.30 -0.76 0.04 0.00 0.77 0.00 0.00 66.41 66.76 3gpg h THR 97 Cb 0.09 1.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 3gpg h THR 97 CO -0.14 0.22 0.55 -0.09 0.37 0.00 0.00 175.52 176.43 3gpg h ARG 98 N -0.02 0.99 0.00 6.66 2.43 -0.60 -1.68 114.38 122.15 3gpg h ARG 98 Ca 0.04 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3gpg h ARG 98 Cb 0.33 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3gpg h ARG 98 CO 0.00 0.66 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.94 3gpg h LEU 99 N 1.02 0.00 0.64 3.80 3.38 -0.72 -3.47 115.31 119.97 3gpg h LEU 99 Ca 0.33 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.07 3gpg h LEU 99 Cb 0.05 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.72 3gpg h LEU 99 CO -0.10 0.11 -0.22 0.61 0.09 0.00 0.00 178.44 178.93 3gpg n GLY 100 N 0.29 1.11 3.76 0.83 0.00 -0.63 -5.00 105.19 105.54 3gpg n GLY 100 Ca 0.01 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.43 2.92 -0.28 1.61 -7.23 -1.23 -4.97 120.40 108.79 3gpg s VAL 101 Ca 0.00 0.50 0.22 0.00 -1.81 0.00 0.00 61.98 60.89 3gpg s VAL 101 Cb 0.00 -3.10 0.08 0.00 0.56 0.00 0.00 36.38 33.91 3gpg s VAL 101 CO 0.00 -0.19 1.18 0.78 -0.31 0.00 0.00 175.10 176.56 3gpg h ASN 102 N 0.49 0.00 -5.07 4.85 2.35 -1.93 -3.42 115.58 112.85 3gpg h ASN 102 Ca -0.49 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.21 3gpg h ASN 102 Cb 1.27 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.51 3gpg h ASN 102 CO 0.54 0.05 -0.05 -0.94 -1.65 0.00 0.00 177.43 175.38 3gpg s SER 103 N -5.62 -0.27 -0.14 5.81 1.04 -1.26 -0.75 113.70 112.50 3gpg s SER 103 Ca 0.01 -0.26 -0.11 0.00 0.48 0.00 0.00 55.95 56.07 3gpg s SER 103 Cb 0.08 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.73 3gpg s SER 103 CO 0.76 -0.85 0.37 0.54 0.98 0.00 0.00 173.24 175.04 3gpg s VAL 104 N -3.70 -0.01 -0.17 5.02 0.11 -0.46 -3.34 120.40 117.84 3gpg s VAL 104 Ca 0.02 0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 59.00 3gpg s VAL 104 Cb 0.01 -0.53 -0.05 0.00 -1.53 0.00 0.00 36.38 34.28 3gpg s VAL 104 CO -0.11 0.02 0.19 0.00 -3.33 0.00 0.00 175.10 171.87 3gpg s ALA 105 N 0.63 3.68 -0.01 1.54 0.00 -0.53 -1.17 121.76 125.89 3gpg s ALA 105 Ca -0.04 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.34 3gpg s ALA 105 Cb -0.05 -2.23 0.02 0.00 0.00 0.00 0.00 23.12 20.86 3gpg s ALA 105 CO -0.04 0.20 0.00 -1.50 0.00 0.00 0.00 175.76 174.42 3gpg s ILE 106 N 0.19 0.07 0.45 0.00 2.07 -0.23 -0.52 121.20 123.24 3gpg s ILE 106 Ca 0.12 0.07 0.02 0.00 -1.41 0.00 0.00 60.65 59.45 3gpg s ILE 106 Cb -0.12 -0.13 0.00 0.00 0.13 0.00 0.00 42.46 42.34 3gpg s ILE 106 CO 0.01 0.08 0.66 -2.16 -1.91 0.00 0.00 174.94 171.62 3gpg s PRO 107 N 0.59 2.95 -0.57 3.50 0.04 -1.26 -0.96 135.00 139.29 3gpg s PRO 107 Ca -0.05 -0.65 -0.28 0.00 0.04 0.00 0.00 61.00 60.06 3gpg s PRO 107 Cb -0.08 -2.59 0.03 0.00 0.04 0.00 0.00 34.50 31.91 3gpg s PRO 107 CO -0.01 -0.32 1.18 -0.51 0.04 0.00 0.00 177.00 177.38 3gpg s LEU 108 N -4.54 3.49 0.53 -3.56 1.43 -1.26 -4.94 118.68 109.83 3gpg s LEU 108 Ca 0.50 0.14 -0.21 0.00 -1.03 0.00 0.00 54.13 53.53 3gpg s LEU 108 Cb -0.10 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 42.86 3gpg s LEU 108 CO 0.37 -1.45 1.23 -0.76 0.23 0.00 0.00 176.35 175.97 3gpg s LEU 109 N 4.87 3.83 -1.43 1.79 1.43 -1.26 -3.28 118.68 124.64 3gpg s LEU 109 Ca 0.43 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.99 3gpg s LEU 109 Cb -0.07 -4.40 0.00 0.00 0.03 0.00 0.00 46.19 41.75 3gpg s LEU 109 CO 0.26 -1.35 0.00 -1.20 0.23 0.00 0.00 176.35 174.29 3gpg n SER 110 N -1.07 -4.82 -2.37 2.29 7.64 -1.26 -4.76 113.62 109.27 3gpg n SER 110 Ca 0.11 0.33 -0.03 0.00 1.01 0.00 0.00 58.87 60.29 3gpg n SER 110 Cb 0.48 -3.51 0.01 0.00 -1.01 0.00 0.00 64.21 60.19 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 -2.54 0.00 -2.65 0.44 -2.24 -1.21 -3.13 114.28 102.95 3gpg n THR 111 Ca -0.13 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3gpg n THR 111 Cb 0.48 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 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 3.96 3.29 0.09 3.38 0.00 -1.26 -2.47 105.19 112.17 3gpg n GLY 112 Ca 0.02 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.87 0.66 1.61 0.24 -1.26 -1.02 118.33 119.42 3gpg n VAL 113 Ca 0.00 0.22 0.12 0.00 -2.04 0.00 0.00 64.34 62.64 3gpg n VAL 113 Cb 0.00 -1.10 0.25 0.00 -1.47 0.00 0.00 33.84 31.52 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 -2.03 0.37 0.84 6.34 4.02 -1.03 -4.46 117.16 121.20 3gpg n TYR 114 Ca 0.03 -0.18 0.11 0.00 -0.01 0.00 0.00 57.90 57.85 3gpg n TYR 114 Cb 0.22 0.00 0.51 0.00 -0.02 0.00 0.00 39.34 40.05 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 1.13 0.00 -2.02 7.72 3.41 -0.19 -0.62 113.62 123.05 3gpg n SER 115 Ca 0.18 0.45 -0.20 0.00 -0.26 0.00 0.00 58.87 59.04 3gpg n SER 115 Cb 0.52 -0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 63.96 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 0.91 0.35 2.14 5.00 0.00 -1.26 -2.24 105.19 110.08 3gpg n GLY 116 Ca 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.85 0.44 3.72 -0.02 0.00 -1.26 -4.86 105.19 102.37 3gpg n GLY 117 Ca -0.22 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.44 2.72 -0.38 1.61 2.20 -0.95 -5.06 119.74 119.44 3gpg s LYS 118 Ca 0.00 -0.74 -0.29 0.00 -0.36 0.00 0.00 55.97 54.58 3gpg s LYS 118 Cb 0.00 -2.64 0.01 0.00 -1.51 0.00 0.00 37.83 33.70 3gpg s LYS 118 CO 0.00 0.57 1.30 0.34 -0.36 0.00 0.00 175.35 177.19 3gpg s ASP 119 N -2.21 6.55 -0.11 1.43 3.68 -1.26 -4.80 116.67 119.95 3gpg s ASP 119 Ca 0.26 0.91 0.14 0.00 2.13 0.00 0.00 52.55 55.99 3gpg s ASP 119 Cb -0.12 -2.54 0.34 0.00 -1.45 0.00 0.00 42.92 39.15 3gpg s ASP 119 CO 0.18 -1.24 1.25 0.54 0.13 0.00 0.00 175.17 176.03 3gpg n ARG 120 N 7.68 2.38 0.12 4.34 1.74 -1.26 -4.74 116.66 126.92 3gpg n ARG 120 Ca 0.15 -2.46 -0.13 0.00 -0.77 0.00 0.00 57.85 54.64 3gpg n ARG 120 Cb 0.48 -1.53 -0.06 0.00 -1.02 0.00 0.00 32.46 30.33 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 0.98 -0.90 -0.43 0.55 6.46 -1.96 0.17 115.31 120.18 3gpg h LEU 121 Ca 0.00 0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 57.82 3gpg h LEU 121 Cb 1.06 0.34 -0.02 0.00 -0.73 0.00 0.00 40.66 41.32 3gpg h LEU 121 CO 0.09 -0.40 0.12 0.74 -0.62 0.00 0.00 178.44 178.36 3gpg h THR 122 N -0.54 1.23 -0.01 1.05 2.02 -1.99 -0.07 112.91 114.60 3gpg h THR 122 Ca 0.03 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.44 3gpg h THR 122 Cb 0.57 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3gpg h THR 122 CO -0.18 0.27 -0.03 -0.61 0.37 0.00 0.00 175.52 175.34 3gpg h GLN 123 N 0.56 -0.05 -0.36 6.66 4.15 -1.84 0.15 115.11 124.38 3gpg h GLN 123 Ca 0.14 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.50 3gpg h GLN 123 Cb 0.30 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 3gpg h GLN 123 CO -0.00 -0.03 -0.01 1.03 -1.93 0.00 0.00 178.83 177.89 3gpg h SER 124 N -0.05 0.64 -0.81 -0.69 0.87 -0.53 -2.31 113.55 110.67 3gpg h SER 124 Ca 0.02 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.24 3gpg h SER 124 Cb 0.07 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 3gpg h SER 124 CO -0.04 0.80 0.42 0.25 -0.53 0.00 0.00 176.83 177.73 3gpg h LEU 125 N 0.46 1.04 -0.67 2.23 5.85 -0.93 0.28 115.31 123.56 3gpg h LEU 125 Ca 0.10 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3gpg h LEU 125 Cb 0.48 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3gpg h LEU 125 CO 0.02 0.86 0.41 0.78 -0.34 0.00 0.00 178.44 180.16 3gpg h ASN 126 N 1.14 0.80 -0.22 1.25 4.21 -0.51 -0.43 115.58 121.82 3gpg h ASN 126 Ca 0.28 -0.06 -0.11 0.00 1.21 0.00 0.00 56.30 57.63 3gpg h ASN 126 Cb 0.07 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.06 3gpg h ASN 126 CO -0.04 0.62 -0.23 0.45 -1.29 0.00 0.00 177.43 176.94 3gpg h HIS 127 N 0.91 0.78 0.16 1.19 3.86 -1.15 -2.22 115.15 118.67 3gpg h HIS 127 Ca 0.24 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3gpg h HIS 127 Cb -0.03 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.25 3gpg h HIS 127 CO -0.02 0.85 -0.09 1.25 0.86 0.00 0.00 177.93 180.79 3gpg h LEU 128 N 0.60 -0.21 -0.41 2.43 6.46 -0.39 -1.82 115.31 121.97 3gpg h LEU 128 Ca 0.09 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.87 3gpg h LEU 128 Cb 0.71 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.68 3gpg h LEU 128 CO 0.05 -0.14 0.25 -0.26 -0.62 0.00 0.00 178.44 177.73 3gpg h PHE 129 N -0.23 0.48 -0.69 1.25 0.04 -1.04 0.28 116.94 117.03 3gpg h PHE 129 Ca -0.02 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.80 3gpg h PHE 129 Cb 0.18 -0.16 -0.05 0.00 2.20 0.00 0.00 35.95 38.13 3gpg h PHE 129 CO -0.08 0.29 0.43 1.15 -0.60 0.00 0.00 178.31 179.50 3gpg h THR 130 N 0.51 1.07 -0.03 -1.55 2.02 -1.22 -1.26 112.91 112.46 3gpg h THR 130 Ca 0.16 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 3gpg h THR 130 Cb -0.02 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 3gpg h THR 130 CO -0.06 0.15 -0.17 0.00 0.37 0.00 0.00 175.52 175.81 3gpg h ALA 131 N 1.31 0.06 0.00 6.16 0.00 -1.09 -3.33 119.26 122.36 3gpg h ALA 131 Ca 0.28 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3gpg h ALA 131 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3gpg h ALA 131 CO -0.12 0.02 0.00 -1.33 0.00 0.00 0.00 179.25 177.82 3gpg n MET 132 N -4.58 0.24 0.25 0.00 2.00 0.07 -2.36 117.12 112.73 3gpg n MET 132 Ca -0.09 0.27 0.17 0.00 0.00 0.00 0.00 57.70 58.05 3gpg n MET 132 Cb 0.43 -1.82 0.82 0.00 0.00 0.00 0.00 33.22 32.65 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 0.00 0.91 7.83 3.32 -1.34 -1.95 116.42 125.19 3gpg h ASP 133 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gpg h ASP 133 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3gpg h ASP 133 CO 0.00 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.98 3gpg n SER 134 N -2.76 0.00 -4.89 6.45 3.41 -1.00 -4.73 113.62 110.11 3gpg n SER 134 Ca -0.01 0.47 -0.20 0.00 -0.26 0.00 0.00 58.87 58.86 3gpg n SER 134 Cb 0.15 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.58 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 -2.98 3.10 -0.23 6.66 -4.23 -0.74 -4.96 115.64 112.27 3gpg s THR 135 Ca 0.14 -1.30 0.11 0.00 -1.18 0.00 0.00 61.69 59.46 3gpg s THR 135 Cb 0.18 -3.09 0.44 0.00 1.34 0.00 0.00 72.50 71.37 3gpg s THR 135 CO 0.49 -0.07 1.28 -0.90 -0.54 0.00 0.00 174.62 174.88 3gpg n ASP 136 N -1.52 1.91 -4.86 3.99 5.75 -1.26 -3.35 116.55 117.21 3gpg n ASP 136 Ca 0.02 -3.87 -0.31 0.00 -0.01 0.00 0.00 54.79 50.62 3gpg n ASP 136 Cb 0.60 -0.56 -0.05 0.00 -1.03 0.00 0.00 41.12 40.09 3gpg n ASP 136 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gpg s ALA 137 N -3.24 3.37 -0.10 2.12 0.00 -1.26 -4.68 121.76 117.97 3gpg s ALA 137 Ca 0.40 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.95 3gpg s ALA 137 Cb 0.38 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 3gpg s ALA 137 CO -0.05 0.22 1.31 -0.51 0.00 0.00 0.00 175.76 176.72 3gpg s ASP 138 N -2.65 6.93 -0.19 0.00 1.01 0.07 -3.74 116.67 118.10 3gpg s ASP 138 Ca 0.52 1.85 -0.07 0.00 0.71 0.00 0.00 52.55 55.56 3gpg s ASP 138 Cb -0.10 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 3gpg s ASP 138 CO 0.24 -0.72 0.06 -0.69 0.21 0.00 0.00 175.17 174.27 3gpg s VAL 139 N 3.01 4.79 -0.23 -1.27 1.01 0.26 -1.36 120.40 126.60 3gpg s VAL 139 Ca 0.58 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.55 3gpg s VAL 139 Cb -0.25 -3.16 0.05 0.00 0.00 0.00 0.00 36.38 33.01 3gpg s VAL 139 CO 0.20 0.46 -0.12 -0.69 0.00 0.00 0.00 175.10 174.95 3gpg s VAL 140 N 0.41 1.96 -0.08 2.92 1.01 -0.32 -1.42 120.40 124.89 3gpg s VAL 140 Ca 0.03 -1.32 -0.21 0.00 0.00 0.00 0.00 61.98 60.48 3gpg s VAL 140 Cb -0.12 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3gpg s VAL 140 CO 0.00 0.12 0.62 -0.63 0.00 0.00 0.00 175.10 175.21 3gpg s ILE 141 N 1.23 5.08 -0.10 2.22 1.01 0.52 -1.07 121.20 130.10 3gpg s ILE 141 Ca -0.04 1.27 -0.03 0.00 0.00 0.00 0.00 60.65 61.85 3gpg s ILE 141 Cb -0.18 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 3gpg s ILE 141 CO -0.07 0.29 0.01 -0.31 0.00 0.00 0.00 174.94 174.86 3gpg s TYR 142 N 0.64 3.19 0.31 3.97 2.02 -0.14 -0.80 117.35 126.54 3gpg s TYR 142 Ca 0.33 0.17 0.00 0.00 -0.37 0.00 0.00 57.07 57.21 3gpg s TYR 142 Cb -0.17 -1.83 -0.01 0.00 -0.40 0.00 0.00 41.96 39.55 3gpg s TYR 142 CO 0.16 0.43 0.36 0.00 -1.57 0.00 0.00 175.55 174.93 3gpg n ARG 144 N -0.53 3.97 -4.10 0.00 5.12 -1.26 -1.62 116.66 118.23 3gpg n ARG 144 Ca 0.03 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.60 3gpg n ARG 144 Cb 0.62 -0.53 -0.09 0.00 -1.16 0.00 0.00 32.46 31.30 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 -0.97 5.60 0.21 0.55 2.15 -1.26 -4.91 116.67 118.05 3gpg s ASP 145 Ca 0.00 0.15 -0.08 0.00 0.43 0.00 0.00 52.55 53.04 3gpg s ASP 145 Cb 0.00 -1.85 0.16 0.00 -0.30 0.00 0.00 42.92 40.94 3gpg s ASP 145 CO 0.00 0.26 1.81 0.11 -0.17 0.00 0.00 175.17 177.19 3gpg h LYS 146 N 6.03 1.14 -0.61 4.34 1.57 -1.99 -0.42 116.57 126.63 3gpg h LYS 146 Ca -0.43 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.11 3gpg h LYS 146 Cb 1.18 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 3gpg h LYS 146 CO 0.64 0.87 0.06 1.49 -0.57 0.00 0.00 179.45 181.95 3gpg h GLU 147 N 1.13 1.04 -0.57 3.15 4.57 -2.00 -2.26 114.58 119.64 3gpg h GLU 147 Ca 0.28 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 3gpg h GLU 147 Cb 0.09 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 3gpg h GLU 147 CO -0.04 0.99 0.21 -1.49 -1.18 0.00 0.00 179.01 177.50 3gpg h TRP 148 N 0.95 0.88 -0.45 0.92 4.06 -1.91 -1.62 115.95 118.77 3gpg h TRP 148 Ca 0.18 -0.07 0.09 0.00 2.06 0.00 0.00 58.89 61.15 3gpg h TRP 148 Cb 0.48 -0.26 -0.08 0.00 -1.00 0.00 0.00 29.16 28.30 3gpg h TRP 148 CO 0.04 0.72 -0.04 1.49 -3.56 0.00 0.00 178.44 177.09 3gpg h GLU 149 N 0.78 0.07 -0.33 0.49 4.81 -0.82 0.11 114.58 119.68 3gpg h GLU 149 Ca 0.19 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3gpg h GLU 149 Cb 0.23 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3gpg h GLU 149 CO -0.01 0.05 0.16 -0.22 -0.73 0.00 0.00 179.01 178.26 3gpg h LYS 150 N 0.07 0.48 -0.60 1.92 1.63 -1.15 -0.37 116.57 118.55 3gpg h LYS 150 Ca 0.22 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.97 3gpg h LYS 150 Cb 0.33 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.84 3gpg h LYS 150 CO -0.40 0.43 0.38 0.87 -3.45 0.00 0.00 179.45 177.28 3gpg h LYS 151 N 0.40 0.74 -0.28 1.90 1.57 -0.73 0.28 116.57 120.46 3gpg h LYS 151 Ca 0.11 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3gpg h LYS 151 Cb 0.11 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3gpg h LYS 151 CO -0.01 0.49 -0.01 0.82 -0.57 0.00 0.00 179.45 180.17 3gpg h ILE 152 N 0.76 1.26 -0.31 1.86 2.04 -0.68 -0.85 117.51 121.60 3gpg h ILE 152 Ca 0.23 -0.95 0.06 0.00 1.00 0.00 0.00 64.86 65.19 3gpg h ILE 152 Cb -0.04 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 3gpg h ILE 152 CO -0.07 0.30 -0.02 -1.28 0.00 0.00 0.00 178.15 177.08 3gpg h SER 153 N 0.28 -0.17 -0.84 1.72 0.87 -0.74 0.43 113.55 115.10 3gpg h SER 153 Ca 0.08 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.75 3gpg h SER 153 Cb 0.44 0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.50 3gpg h SER 153 CO 0.02 -0.05 0.55 -0.33 -0.53 0.00 0.00 176.83 176.49 3gpg h GLU 154 N 0.06 1.02 -0.38 2.24 5.08 -0.28 -0.47 114.58 121.85 3gpg h GLU 154 Ca 0.15 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 3gpg h GLU 154 Cb 0.21 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3gpg h GLU 154 CO -0.27 0.68 -0.35 0.00 -1.00 0.00 0.00 179.01 178.07 3gpg h ALA 155 N 1.51 0.65 -0.77 3.43 0.00 -0.24 -0.72 119.26 123.12 3gpg h ALA 155 Ca 0.33 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3gpg h ALA 155 Cb 0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3gpg h ALA 155 CO -0.10 0.67 0.42 0.82 0.00 0.00 0.00 179.25 181.07 3gpg h ILE 156 N 0.74 1.23 -0.18 0.00 2.04 -0.58 -2.82 117.51 117.94 3gpg h ILE 156 Ca 0.07 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.38 3gpg h ILE 156 Cb 0.93 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3gpg h ILE 156 CO 0.09 0.26 0.02 1.56 0.00 0.00 0.00 178.15 180.07 3gpg h GLN 157 N 1.07 0.08 -0.73 2.37 1.08 -0.78 -2.79 115.11 115.40 3gpg h GLN 157 Ca 0.27 -0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.63 3gpg h GLN 157 Cb 0.04 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 3gpg h GLN 157 CO -0.04 0.05 0.50 0.52 -0.95 0.00 0.00 178.83 178.91 3gpg h MET 158 N 0.08 0.29 -0.01 1.46 2.86 -0.88 -3.51 114.93 115.22 3gpg h MET 158 Ca 0.08 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3gpg h MET 158 Cb 0.09 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.68 3gpg h MET 158 CO -0.12 0.19 0.00 0.54 1.06 0.00 0.00 176.91 178.58