#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpq n PRO 2 N 0.00 1.90 -4.39 0.00 -0.02 -1.26 -5.00 135.00 126.23 3gpq n PRO 2 Ca 0.00 0.68 -0.21 0.00 -2.02 0.00 0.00 63.50 61.95 3gpq n PRO 2 Cb 0.00 -2.37 -0.10 0.00 -0.02 0.00 0.00 33.50 31.01 3gpq n PRO 2 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3gpq s SER 3 N 0.55 2.96 -0.12 2.55 1.04 -1.26 -4.96 113.70 114.46 3gpq s SER 3 Ca 0.75 -0.98 -0.04 0.00 0.48 0.00 0.00 55.95 56.15 3gpq s SER 3 Cb -0.72 -0.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.17 3gpq s SER 3 CO 0.45 -0.06 0.04 -0.31 0.98 0.00 0.00 173.24 174.33 3gpq s TYR 4 N -2.58 3.26 0.05 5.02 1.51 -1.26 -0.67 117.35 122.69 3gpq s TYR 4 Ca 0.23 0.20 -0.03 0.00 -1.01 0.00 0.00 57.07 56.46 3gpq s TYR 4 Cb -0.03 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.89 3gpq s TYR 4 CO 0.10 0.42 0.04 1.03 -1.11 0.00 0.00 175.55 176.02 3gpq s ARG 5 N -0.54 0.60 -0.03 -0.62 0.52 -0.09 -4.97 118.95 113.82 3gpq s ARG 5 Ca 0.10 -0.96 0.06 0.00 -0.52 0.00 0.00 55.73 54.41 3gpq s ARG 5 Cb -0.12 0.22 -0.01 0.00 0.52 0.00 0.00 34.95 35.56 3gpq s ARG 5 CO 0.02 -0.14 -0.20 0.54 0.02 0.00 0.00 175.30 175.54 3gpq s VAL 6 N -3.20 1.64 -0.02 3.52 0.11 -1.26 0.13 120.40 121.32 3gpq s VAL 6 Ca 0.00 -0.87 0.03 0.00 -2.93 0.00 0.00 61.98 58.21 3gpq s VAL 6 Cb 0.03 -1.38 0.00 0.00 -1.53 0.00 0.00 36.38 33.50 3gpq s VAL 6 CO -0.07 0.46 -0.09 -0.54 -3.33 0.00 0.00 175.10 171.53 3gpq s LYS 7 N -0.30 0.97 -0.65 1.54 1.02 0.44 -4.91 119.74 117.84 3gpq s LYS 7 Ca 0.03 -0.31 -0.17 0.00 0.02 0.00 0.00 55.97 55.54 3gpq s LYS 7 Cb -0.10 -0.90 0.14 0.00 -0.52 0.00 0.00 37.83 36.45 3gpq s LYS 7 CO 0.01 0.12 0.67 0.50 -0.92 0.00 0.00 175.35 175.73 3gpq s ARG 8 N 0.16 3.19 0.16 1.68 3.52 -1.26 -2.00 118.95 124.40 3gpq s ARG 8 Ca -0.03 -1.77 -0.24 0.00 -0.13 0.00 0.00 55.73 53.56 3gpq s ARG 8 Cb -0.08 -4.36 0.06 0.00 -1.56 0.00 0.00 34.95 29.00 3gpq s ARG 8 CO 0.00 -1.42 0.85 0.00 -0.81 0.00 0.00 175.30 173.93 3gpq s MET 9 N 1.69 1.28 -0.12 5.12 0.23 -0.92 -4.97 119.30 121.61 3gpq s MET 9 Ca 0.11 -0.66 -0.32 0.00 -1.03 0.00 0.00 55.69 53.79 3gpq s MET 9 Cb -0.22 0.47 -0.10 0.00 -1.53 0.00 0.00 34.83 33.45 3gpq s MET 9 CO 0.00 -0.58 2.00 -3.47 -2.03 0.00 0.00 175.02 170.94 3gpq n ASP 10 N -0.42 3.39 0.33 -1.18 -0.08 -1.26 -4.36 116.55 112.97 3gpq n ASP 10 Ca -0.07 0.75 0.16 0.00 -1.51 0.00 0.00 54.79 54.12 3gpq n ASP 10 Cb 0.61 -1.42 0.84 0.00 2.34 0.00 0.00 41.12 43.49 3gpq n ASP 10 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 3gpq h ILE 11 N 6.00 0.02 0.00 5.18 2.10 -1.95 0.32 117.51 129.18 3gpq h ILE 11 Ca -0.45 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.46 3gpq h ILE 11 Cb 1.27 0.69 -0.00 0.00 -1.09 0.00 0.00 36.82 37.68 3gpq h ILE 11 CO 0.96 0.00 -0.14 0.00 -1.08 0.00 0.00 178.15 177.89 3gpq h ALA 12 N 1.39 1.10 -0.50 0.18 0.00 -1.89 -2.45 119.26 117.08 3gpq h ALA 12 Ca 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3gpq h ALA 12 Cb 0.64 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3gpq h ALA 12 CO -0.00 0.17 0.06 1.63 0.00 0.00 0.00 179.25 181.11 3gpq n LYS 13 N -3.39 3.92 -1.21 0.00 4.01 0.11 -5.00 118.16 116.59 3gpq n LYS 13 Ca -0.01 -2.53 -0.32 0.00 -0.51 0.00 0.00 58.31 54.94 3gpq n LYS 13 Cb 0.32 -2.10 0.11 0.00 -0.51 0.00 0.00 35.03 32.85 3gpq n LYS 13 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3gpq s ASN 14 N -0.65 4.02 -0.14 4.39 2.20 -0.92 -4.98 114.94 118.87 3gpq s ASN 14 Ca 0.44 2.11 0.19 0.00 -0.94 0.00 0.00 52.86 54.66 3gpq s ASN 14 Cb 0.34 -2.56 0.31 0.00 -2.00 0.00 0.00 41.25 37.35 3gpq s ASN 14 CO 0.12 -2.37 1.17 -0.67 -2.94 0.00 0.00 177.10 172.42 3gpq n ASP 15 N -3.35 2.44 -4.95 3.54 2.03 -1.26 -5.04 116.55 109.97 3gpq n ASP 15 Ca 0.11 -3.11 -0.24 0.00 0.52 0.00 0.00 54.79 52.07 3gpq n ASP 15 Cb 0.52 -0.44 0.06 0.00 -0.72 0.00 0.00 41.12 40.53 3gpq n ASP 15 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3gpq s GLU 16 N -2.89 2.33 0.11 -0.67 8.01 -1.26 -5.01 118.70 119.32 3gpq s GLU 16 Ca 0.33 -0.48 0.26 0.00 0.01 0.00 0.00 54.97 55.08 3gpq s GLU 16 Cb 0.29 -2.30 0.98 0.00 -4.31 0.00 0.00 34.13 28.79 3gpq s GLU 16 CO 0.03 -1.02 1.80 0.39 0.01 0.00 0.00 175.26 176.47 3gpq n GLU 17 N -2.68 0.12 -3.69 1.61 1.02 -1.20 -4.87 120.64 110.95 3gpq n GLU 17 Ca 0.08 0.15 -0.08 0.00 -0.02 0.00 0.00 57.16 57.29 3gpq n GLU 17 Cb 0.60 -1.65 -0.02 0.00 -0.02 0.00 0.00 31.44 30.35 3gpq n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gpq s VAL 19 N -3.77 1.44 -0.27 0.00 0.11 -0.89 -1.68 120.40 115.34 3gpq s VAL 19 Ca 0.08 -1.43 -0.10 0.00 -2.93 0.00 0.00 61.98 57.60 3gpq s VAL 19 Cb -0.04 -1.33 -0.04 0.00 -1.53 0.00 0.00 36.38 33.43 3gpq s VAL 19 CO -0.01 -0.13 0.15 -0.69 -3.33 0.00 0.00 175.10 171.10 3gpq s VAL 20 N -1.21 5.06 0.10 2.04 1.01 -0.12 -0.14 120.40 127.14 3gpq s VAL 20 Ca 0.03 0.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 3gpq s VAL 20 Cb -0.10 -3.39 -0.07 0.00 0.00 0.00 0.00 36.38 32.82 3gpq s VAL 20 CO 0.03 0.29 0.71 0.21 0.00 0.00 0.00 175.10 176.34 3gpq s ASN 21 N 1.61 7.23 -1.23 3.32 2.47 0.81 -4.40 114.94 124.76 3gpq s ASN 21 Ca 0.07 1.46 -0.16 0.00 0.42 0.00 0.00 52.86 54.65 3gpq s ASN 21 Cb -0.15 -2.45 0.12 0.00 -1.45 0.00 0.00 41.25 37.31 3gpq s ASN 21 CO 0.08 0.17 1.57 0.00 -3.72 0.00 0.00 177.10 175.20 3gpq s ALA 22 N -0.77 3.59 0.65 1.71 0.00 -1.26 -1.59 121.76 124.10 3gpq s ALA 22 Ca 0.34 -3.08 -0.05 0.00 0.00 0.00 0.00 51.96 49.18 3gpq s ALA 22 Cb -0.21 -4.39 0.05 0.00 0.00 0.00 0.00 23.12 18.56 3gpq s ALA 22 CO 0.23 -3.07 0.95 0.00 0.00 0.00 0.00 175.76 173.86 3gpq s ALA 23 N 3.04 3.32 0.31 0.00 0.00 -0.25 -4.26 121.76 123.92 3gpq s ALA 23 Ca 0.48 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.56 3gpq s ALA 23 Cb 0.00 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 3gpq s ALA 23 CO 0.03 -1.10 0.24 0.54 0.00 0.00 0.00 175.76 175.47 3gpq s ASN 24 N -4.46 5.25 0.00 0.00 2.20 -1.26 -4.31 114.94 112.36 3gpq s ASN 24 Ca 0.58 -0.47 0.19 0.00 -0.94 0.00 0.00 52.86 52.22 3gpq s ASN 24 Cb -0.11 -1.05 0.92 0.00 -2.00 0.00 0.00 41.25 39.01 3gpq s ASN 24 CO 0.44 -0.25 1.60 -0.81 -2.94 0.00 0.00 177.10 175.14 3gpq n PRO 25 N -1.27 0.18 0.00 3.55 -0.04 -1.26 -1.92 135.00 134.24 3gpq n PRO 25 Ca -0.04 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 3gpq n PRO 25 Cb 0.59 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.80 3gpq n PRO 25 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3gpq n ARG 26 N -1.36 0.18 -2.20 0.54 1.74 -1.26 -3.33 116.66 110.97 3gpq n ARG 26 Ca 0.08 -0.11 -0.11 0.00 -0.77 0.00 0.00 57.85 56.94 3gpq n ARG 26 Cb 0.18 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.11 3gpq n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gpq n GLY 27 N 1.47 -0.08 3.78 -0.13 0.00 -0.81 -4.52 105.19 104.90 3gpq n GLY 27 Ca 0.07 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 3gpq n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gpq s LEU 28 N -3.22 3.48 0.38 0.99 1.43 -1.26 -4.67 118.68 115.80 3gpq s LEU 28 Ca 0.00 -0.56 -0.27 0.00 -1.03 0.00 0.00 54.13 52.27 3gpq s LEU 28 Cb 0.00 -2.02 -0.10 0.00 0.03 0.00 0.00 46.19 44.10 3gpq s LEU 28 CO 0.00 -0.23 1.37 -2.84 0.23 0.00 0.00 176.35 174.88 3gpq s PRO 29 N -3.88 4.11 0.00 1.29 0.02 -1.26 -4.60 135.00 130.68 3gpq s PRO 29 Ca 0.37 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.72 3gpq s PRO 29 Cb -0.05 -2.91 0.00 0.00 0.02 0.00 0.00 34.50 31.55 3gpq s PRO 29 CO 0.24 -0.44 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 3gpq n GLY 30 N 0.64 5.59 4.02 0.52 0.00 -1.26 -4.99 105.19 109.71 3gpq n GLY 30 Ca 0.02 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.35 3gpq n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gpq s ASP 31 N 1.00 4.90 1.26 1.61 -0.00 -1.26 -2.95 116.67 121.22 3gpq s ASP 31 Ca 0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 52.55 51.92 3gpq s ASP 31 Cb 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 42.92 43.01 3gpq s ASP 31 CO 0.00 -1.47 0.00 0.61 -0.00 0.00 0.00 175.17 174.31 3gpq n GLY 32 N -2.41 2.90 0.27 0.21 0.00 -1.26 -2.48 105.19 102.42 3gpq n GLY 32 Ca 0.15 -0.33 0.03 0.00 0.00 0.00 0.00 46.02 45.86 3gpq n GLY 32 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gpq h VAL 33 N 0.00 0.77 -0.54 1.61 2.07 -1.93 -2.07 116.25 116.15 3gpq h VAL 33 Ca 0.00 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3gpq h VAL 33 Cb 0.00 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 3gpq h VAL 33 CO 0.00 0.10 0.36 0.00 0.02 0.00 0.00 177.57 178.04 3gpq h LYS 35 N 0.72 0.25 -0.62 0.00 3.11 -1.26 0.30 116.57 119.07 3gpq h LYS 35 Ca 0.20 -0.05 -0.05 0.00 -2.81 0.00 0.00 60.65 57.95 3gpq h LYS 35 Cb -0.06 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.10 3gpq h LYS 35 CO -0.04 0.33 0.19 0.00 -2.81 0.00 0.00 179.45 177.11 3gpq h ALA 36 N 0.91 1.17 -0.33 5.00 0.00 -1.19 -0.11 119.26 124.71 3gpq h ALA 36 Ca 0.06 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3gpq h ALA 36 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3gpq h ALA 36 CO -0.00 0.58 -0.09 0.28 0.00 0.00 0.00 179.25 180.01 3gpq h VAL 37 N 0.91 1.28 -0.94 0.00 2.07 -0.55 -1.26 116.25 117.76 3gpq h VAL 37 Ca 0.20 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.58 3gpq h VAL 37 Cb 0.27 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 3gpq h VAL 37 CO -0.01 0.37 0.62 0.22 0.02 0.00 0.00 177.57 178.80 3gpq h TYR 38 N 0.42 1.18 -0.67 1.57 3.20 -0.08 0.22 116.97 122.81 3gpq h TYR 38 Ca 0.08 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 3gpq h TYR 38 Cb 0.59 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 3gpq h TYR 38 CO 0.05 0.73 0.25 -0.22 -1.64 0.00 0.00 178.16 177.33 3gpq h LYS 39 N 1.26 1.01 0.08 1.82 3.64 -0.83 -2.73 116.57 120.82 3gpq h LYS 39 Ca 0.35 -0.19 -0.27 0.00 -1.27 0.00 0.00 60.65 59.26 3gpq h LYS 39 Cb -0.12 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 3gpq h LYS 39 CO -0.08 0.85 -1.45 -0.22 -2.27 0.00 0.00 179.45 176.28 3gpq h LYS 40 N 0.95 0.17 -2.24 1.90 1.63 -1.02 -3.40 116.57 114.56 3gpq h LYS 40 Ca 0.22 -0.29 -0.59 0.00 -0.85 0.00 0.00 60.65 59.14 3gpq h LYS 40 Cb 0.23 0.11 -0.42 0.00 -0.60 0.00 0.00 32.23 31.55 3gpq h LYS 40 CO -0.01 1.14 -0.67 0.91 -3.45 0.00 0.00 179.45 177.37 3gpq n TRP 41 N -3.99 3.67 -0.09 1.91 8.01 0.76 -4.93 117.44 122.76 3gpq n TRP 41 Ca -0.28 -4.02 0.11 0.00 -1.31 0.00 0.00 57.50 52.00 3gpq n TRP 41 Cb 0.86 -0.50 0.48 0.00 -2.01 0.00 0.00 31.31 30.13 3gpq n TRP 41 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 3gpq h PRO 42 N 3.30 0.45 -0.13 -0.99 0.13 -1.63 -1.42 132.00 131.71 3gpq h PRO 42 Ca 0.14 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 65.29 3gpq h PRO 42 Cb 0.57 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 3gpq h PRO 42 CO 0.80 0.30 0.11 0.93 -0.23 0.00 0.00 178.00 179.91 3gpq h GLU 43 N 0.46 0.00 0.00 0.86 3.07 -1.92 -1.94 114.58 115.12 3gpq h GLU 43 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3gpq h GLU 43 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3gpq h GLU 43 CO -0.08 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.40 3gpq n SER 44 N -4.15 0.00 -0.63 1.42 3.41 -0.53 -3.06 113.62 110.07 3gpq n SER 44 Ca 0.00 0.24 0.05 0.00 -0.26 0.00 0.00 58.87 58.90 3gpq n SER 44 Cb 0.23 -0.37 0.15 0.00 -0.26 0.00 0.00 64.21 63.96 3gpq n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3gpq n PHE 45 N -1.37 0.47 -2.38 7.33 3.72 -0.73 -4.59 117.46 119.91 3gpq n PHE 45 Ca 0.06 -0.23 -0.43 0.00 -0.05 0.00 0.00 57.45 56.80 3gpq n PHE 45 Cb 0.13 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 3gpq n PHE 45 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3gpq s LYS 46 N -1.57 4.04 -1.61 -1.08 2.20 -1.17 -3.54 119.74 117.02 3gpq s LYS 46 Ca 0.22 1.49 -0.14 0.00 -0.36 0.00 0.00 55.97 57.19 3gpq s LYS 46 Cb 0.12 -3.85 0.11 0.00 -1.51 0.00 0.00 37.83 32.70 3gpq s LYS 46 CO 0.15 -0.96 0.74 0.09 -0.36 0.00 0.00 175.35 175.01 3gpq n ASN 47 N 7.27 -2.89 -0.24 1.43 3.02 -1.26 -4.86 115.26 117.72 3gpq n ASN 47 Ca 0.15 -0.97 0.14 0.00 -0.03 0.00 0.00 54.58 53.86 3gpq n ASN 47 Cb 0.46 -3.02 0.48 0.00 -0.61 0.00 0.00 39.78 37.09 3gpq n ASN 47 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3gpq n SER 48 N -2.76 0.92 -4.73 6.41 3.41 -1.23 -4.94 113.62 110.70 3gpq n SER 48 Ca -0.02 -0.90 -0.42 0.00 -0.26 0.00 0.00 58.87 57.26 3gpq n SER 48 Cb 0.54 0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.53 3gpq n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gpq n ALA 49 N -0.61 1.95 -3.48 7.33 0.00 -1.26 -4.60 120.51 119.83 3gpq n ALA 49 Ca 0.14 0.37 -0.17 0.00 0.00 0.00 0.00 53.44 53.78 3gpq n ALA 49 Cb 0.32 -2.37 -0.06 0.00 0.00 0.00 0.00 19.45 17.34 3gpq n ALA 49 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3gpq s THR 50 N -0.46 0.01 0.85 0.00 -1.32 -1.21 -4.91 115.64 108.60 3gpq s THR 50 Ca 0.61 -0.06 -0.11 0.00 -1.21 0.00 0.00 61.69 60.92 3gpq s THR 50 Cb -0.54 -0.95 0.10 0.00 -1.51 0.00 0.00 72.50 69.60 3gpq s THR 50 CO 0.55 -0.03 1.09 -2.84 -2.21 0.00 0.00 174.62 171.18 3gpq s PRO 51 N -1.21 1.60 0.23 7.08 0.02 -1.26 -4.09 135.00 137.38 3gpq s PRO 51 Ca -0.11 1.01 -0.31 0.00 0.02 0.00 0.00 61.00 61.60 3gpq s PRO 51 Cb -0.01 -1.83 -0.14 0.00 0.02 0.00 0.00 34.50 32.54 3gpq s PRO 51 CO 0.09 -2.06 1.36 0.28 -0.33 0.00 0.00 177.00 176.35 3gpq n VAL 52 N -3.78 1.00 -0.72 3.83 0.31 -1.26 -2.33 118.33 115.38 3gpq n VAL 52 Ca 0.08 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3gpq n VAL 52 Cb 0.54 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 3gpq n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gpq n GLY 53 N 2.06 0.60 3.36 2.92 0.00 0.25 -4.99 105.19 109.40 3gpq n GLY 53 Ca 0.12 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 3gpq n GLY 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gpq s THR 54 N -2.00 0.88 0.00 2.61 -4.23 -0.98 -3.26 115.64 108.67 3gpq s THR 54 Ca 0.00 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 3gpq s THR 54 Cb 0.00 -2.60 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 3gpq s THR 54 CO 0.00 -0.10 -0.04 0.00 -0.54 0.00 0.00 174.62 173.94 3gpq s ALA 55 N -3.52 0.33 -0.03 3.99 0.00 -1.26 -0.85 121.76 120.41 3gpq s ALA 55 Ca 0.35 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.06 3gpq s ALA 55 Cb 0.08 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.16 3gpq s ALA 55 CO 0.13 0.05 -0.03 0.21 0.00 0.00 0.00 175.76 176.12 3gpq s LYS 56 N -0.33 0.62 -0.12 0.00 2.20 -0.04 -4.94 119.74 117.13 3gpq s LYS 56 Ca -0.01 -0.06 -0.13 0.00 -0.36 0.00 0.00 55.97 55.41 3gpq s LYS 56 Cb -0.03 -0.68 -0.05 0.00 -1.51 0.00 0.00 37.83 35.57 3gpq s LYS 56 CO -0.00 -0.07 0.30 0.99 -0.36 0.00 0.00 175.35 176.20 3gpq s THR 57 N 0.82 5.28 -0.08 3.43 2.01 -1.26 -0.17 115.64 125.67 3gpq s THR 57 Ca -0.10 0.56 0.03 0.00 0.31 0.00 0.00 61.69 62.49 3gpq s THR 57 Cb -0.13 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.77 3gpq s THR 57 CO -0.00 0.46 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.52 3gpq s VAL 58 N -0.04 1.52 0.25 3.82 1.01 -0.07 -4.98 120.40 121.92 3gpq s VAL 58 Ca 0.18 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 3gpq s VAL 58 Cb -0.14 -1.35 -0.09 0.00 0.00 0.00 0.00 36.38 34.80 3gpq s VAL 58 CO 0.06 0.44 0.98 -0.04 0.00 0.00 0.00 175.10 176.54 3gpq s MET 59 N 0.58 4.79 -0.79 2.72 -1.94 -1.26 -1.48 119.30 121.93 3gpq s MET 59 Ca -0.15 1.56 0.02 0.00 -1.71 0.00 0.00 55.69 55.41 3gpq s MET 59 Cb -0.16 -3.23 0.22 0.00 2.01 0.00 0.00 34.83 33.67 3gpq s MET 59 CO 0.05 0.43 0.77 0.00 -0.01 0.00 0.00 175.02 176.26 3gpq n GLY 61 N 1.65 1.91 0.58 0.00 0.00 -1.26 -2.10 105.19 105.97 3gpq n GLY 61 Ca 0.24 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3gpq n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gpq n THR 62 N 0.00 0.00 -3.46 2.61 -2.24 -1.26 -4.92 114.28 105.00 3gpq n THR 62 Ca 0.00 -0.30 -0.40 0.00 -2.27 0.00 0.00 64.05 61.08 3gpq n THR 62 Cb 0.00 0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 69.10 3gpq n THR 62 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3gpq s TYR 63 N -2.22 3.22 0.00 4.78 5.04 -0.89 -5.06 117.35 122.22 3gpq s TYR 63 Ca 0.27 0.07 -0.29 0.00 -2.44 0.00 0.00 57.07 54.69 3gpq s TYR 63 Cb 0.20 -2.55 -0.03 0.00 0.35 0.00 0.00 41.96 39.92 3gpq s TYR 63 CO 0.42 -0.31 0.93 -2.14 -1.34 0.00 0.00 175.55 173.11 3gpq s PRO 64 N 1.92 4.55 -0.29 4.97 0.02 -1.26 0.68 135.00 145.59 3gpq s PRO 64 Ca 0.10 1.34 -0.06 0.00 0.02 0.00 0.00 61.00 62.39 3gpq s PRO 64 Cb -0.16 -3.45 0.01 0.00 0.02 0.00 0.00 34.50 30.91 3gpq s PRO 64 CO 0.11 -0.00 0.07 0.08 -0.33 0.00 0.00 177.00 176.92 3gpq s VAL 65 N 0.86 3.91 -0.47 3.83 1.01 -0.55 -2.10 120.40 126.90 3gpq s VAL 65 Ca 0.49 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 3gpq s VAL 65 Cb -0.21 -2.99 0.04 0.00 0.00 0.00 0.00 36.38 33.22 3gpq s VAL 65 CO 0.27 0.12 0.66 -0.63 0.00 0.00 0.00 175.10 175.51 3gpq s ILE 66 N 1.50 4.81 -0.54 2.22 1.01 0.80 -0.89 121.20 130.11 3gpq s ILE 66 Ca 0.03 -0.09 -0.24 0.00 0.00 0.00 0.00 60.65 60.34 3gpq s ILE 66 Cb -0.17 -4.26 0.04 0.00 0.01 0.00 0.00 42.46 38.08 3gpq s ILE 66 CO 0.02 -0.71 0.92 -1.00 0.00 0.00 0.00 174.94 174.18 3gpq s HIS 67 N 2.83 2.82 -0.19 3.97 3.76 0.76 -0.13 115.29 129.10 3gpq s HIS 67 Ca 0.20 -0.00 -0.06 0.00 -0.15 0.00 0.00 55.06 55.05 3gpq s HIS 67 Cb -0.16 -4.04 -0.03 0.00 1.11 0.00 0.00 32.58 29.46 3gpq s HIS 67 CO 0.16 -1.31 0.03 0.00 -0.85 0.00 0.00 174.74 172.77 3gpq s ALA 68 N 3.86 3.21 -0.74 -1.40 0.00 -0.62 -0.86 121.76 125.22 3gpq s ALA 68 Ca 0.30 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 51.31 3gpq s ALA 68 Cb -0.13 -1.84 0.19 0.00 0.00 0.00 0.00 23.12 21.35 3gpq s ALA 68 CO 0.19 0.03 0.63 0.08 0.00 0.00 0.00 175.76 176.69 3gpq s VAL 69 N 0.67 4.79 0.63 0.00 1.01 -0.03 -1.09 120.40 126.38 3gpq s VAL 69 Ca 0.01 -2.71 -0.12 0.00 0.00 0.00 0.00 61.98 59.16 3gpq s VAL 69 Cb -0.14 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 3gpq s VAL 69 CO 0.02 -0.97 1.04 -0.83 0.00 0.00 0.00 175.10 174.36 3gpq s GLY 70 N 1.49 1.78 0.52 4.51 0.00 -1.26 -0.58 107.32 113.78 3gpq s GLY 70 Ca 0.18 0.07 -0.20 0.00 0.00 0.00 0.00 44.72 44.77 3gpq s GLY 70 CO -0.06 0.37 1.15 2.56 0.00 0.00 0.00 173.10 177.11 3gpq s PRO 71 N -4.82 3.44 -0.43 2.90 0.04 -1.26 -4.80 135.00 130.07 3gpq s PRO 71 Ca 0.58 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 63.09 3gpq s PRO 71 Cb -0.13 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.31 3gpq s PRO 71 CO 0.49 -0.80 0.74 1.21 0.04 0.00 0.00 177.00 178.68 3gpq s ASN 72 N -1.61 6.41 0.00 6.66 2.47 -1.26 -4.58 114.94 123.03 3gpq s ASN 72 Ca 0.70 -0.07 0.03 0.00 0.42 0.00 0.00 52.86 53.95 3gpq s ASN 72 Cb -0.26 -2.37 0.14 0.00 -1.45 0.00 0.00 41.25 37.31 3gpq s ASN 72 CO 0.30 -0.83 1.03 0.49 -3.72 0.00 0.00 177.10 174.38 3gpq n PHE 73 N 6.51 0.00 0.26 0.43 3.72 0.12 -0.13 117.46 128.36 3gpq n PHE 73 Ca 0.01 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.56 3gpq n PHE 73 Cb 0.48 -0.42 0.53 0.00 -0.94 0.00 0.00 39.48 39.12 3gpq n PHE 73 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3gpq h SER 74 N 0.00 0.00 0.00 4.37 0.02 -1.87 -3.32 113.55 112.74 3gpq h SER 74 Ca 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 3gpq h SER 74 Cb 0.04 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 3gpq h SER 74 CO 0.00 0.03 -2.20 0.59 -1.14 0.00 0.00 176.83 174.11 3gpq n ASN 75 N -3.12 0.22 -4.55 3.07 3.02 0.81 -5.01 115.26 109.70 3gpq n ASN 75 Ca 0.01 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.27 3gpq n ASN 75 Cb 0.38 1.32 -0.10 0.00 -0.61 0.00 0.00 39.78 40.76 3gpq n ASN 75 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3gpq s TYR 76 N -2.81 2.65 0.90 3.10 2.02 -1.07 -5.06 117.35 117.08 3gpq s TYR 76 Ca -0.09 -0.20 -0.12 0.00 -0.37 0.00 0.00 57.07 56.29 3gpq s TYR 76 Cb 0.08 -1.38 0.13 0.00 -0.40 0.00 0.00 41.96 40.39 3gpq s TYR 76 CO 0.82 0.43 1.09 -1.54 -1.57 0.00 0.00 175.55 174.78 3gpq s SER 77 N -2.28 3.50 0.23 2.29 1.04 -1.26 -4.72 113.70 112.50 3gpq s SER 77 Ca 0.21 1.42 -0.07 0.00 0.48 0.00 0.00 55.95 57.99 3gpq s SER 77 Cb -0.11 -2.10 0.31 0.00 0.10 0.00 0.00 66.02 64.22 3gpq s SER 77 CO 0.13 -2.61 1.82 -0.33 0.98 0.00 0.00 173.24 173.23 3gpq h GLU 78 N -1.53 0.77 0.64 4.02 4.39 -1.98 -1.41 114.58 119.49 3gpq h GLU 78 Ca -0.50 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.13 3gpq h GLU 78 Cb 1.29 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3gpq h GLU 78 CO 0.56 0.51 -0.38 1.03 -1.16 0.00 0.00 179.01 179.57 3gpq h SER 79 N 0.80 -0.93 -0.11 1.42 0.87 -2.00 -1.60 113.55 111.99 3gpq h SER 79 Ca 0.35 0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.79 3gpq h SER 79 Cb 0.23 0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3gpq h SER 79 CO -0.20 -0.60 -0.51 -0.33 -0.53 0.00 0.00 176.83 174.67 3gpq h GLU 80 N -0.95 0.69 -0.44 2.24 4.39 -1.93 -2.68 114.58 115.90 3gpq h GLU 80 Ca -0.08 -0.41 -0.03 0.00 0.34 0.00 0.00 59.36 59.17 3gpq h GLU 80 Cb 0.76 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 3gpq h GLU 80 CO 0.09 1.03 0.12 0.78 -1.16 0.00 0.00 179.01 179.88 3gpq h GLY 81 N 0.93 0.69 1.05 -3.84 0.00 -1.29 -1.44 103.07 99.17 3gpq h GLY 81 Ca 0.02 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 3gpq h GLY 81 CO 0.10 0.34 0.25 -1.80 0.00 0.00 0.00 176.54 175.43 3gpq h ASP 82 N 0.63 1.09 -0.79 0.19 3.58 -0.95 -0.43 116.42 119.74 3gpq h ASP 82 Ca 0.15 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.40 3gpq h ASP 82 Cb 0.21 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 40.94 3gpq h ASP 82 CO -0.01 1.00 0.51 0.03 -2.88 0.00 0.00 179.24 177.89 3gpq h ARG 83 N 1.11 1.05 -0.10 0.28 2.47 -1.21 -2.21 114.38 115.77 3gpq h ARG 83 Ca 0.24 -0.07 -0.15 0.00 -1.26 0.00 0.00 59.98 58.74 3gpq h ARG 83 Cb 0.29 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 3gpq h ARG 83 CO -0.01 0.71 -0.60 0.93 0.56 0.00 0.00 179.97 181.56 3gpq h GLU 84 N 1.07 0.35 -0.27 0.04 4.39 -0.81 -1.82 114.58 117.53 3gpq h GLU 84 Ca 0.29 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.66 3gpq h GLU 84 Cb -0.10 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3gpq h GLU 84 CO -0.06 0.84 -0.20 1.25 -1.16 0.00 0.00 179.01 179.68 3gpq h LEU 85 N 0.26 0.64 -0.39 1.33 5.85 -0.94 0.33 115.31 122.38 3gpq h LEU 85 Ca -0.00 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.32 3gpq h LEU 85 Cb 1.12 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 3gpq h LEU 85 CO 0.10 0.95 0.11 0.00 -0.34 0.00 0.00 178.44 179.26 3gpq h ALA 86 N 0.71 0.44 -0.81 1.25 0.00 -1.33 -2.41 119.26 117.12 3gpq h ALA 86 Ca 0.05 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3gpq h ALA 86 Cb 0.74 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3gpq h ALA 86 CO 0.05 -0.28 0.41 0.00 0.00 0.00 0.00 179.25 179.43 3gpq h ALA 87 N 1.27 1.04 -0.46 0.00 0.00 -1.11 -0.78 119.26 119.22 3gpq h ALA 87 Ca 0.18 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3gpq h ALA 87 Cb 0.19 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3gpq h ALA 87 CO -0.21 0.58 -0.03 0.00 0.00 0.00 0.00 179.25 179.59 3gpq h ALA 88 N 1.22 0.62 -0.22 0.00 0.00 -0.70 -2.09 119.26 118.09 3gpq h ALA 88 Ca 0.28 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3gpq h ALA 88 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3gpq h ALA 88 CO -0.04 0.45 -0.43 1.88 0.00 0.00 0.00 179.25 181.11 3gpq h TYR 89 N 0.68 0.65 -0.73 0.00 -1.99 -1.21 -1.39 116.97 112.97 3gpq h TYR 89 Ca 0.13 -0.19 0.06 0.00 2.00 0.00 0.00 58.73 60.72 3gpq h TYR 89 Cb 0.55 -0.14 -0.06 0.00 2.00 0.00 0.00 36.73 39.08 3gpq h TYR 89 CO 0.04 0.88 0.43 -0.09 -0.00 0.00 0.00 178.16 179.42 3gpq h ARG 90 N 0.44 0.77 -0.08 4.88 2.43 -0.98 -1.14 114.38 120.70 3gpq h ARG 90 Ca 0.03 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 3gpq h ARG 90 Cb 0.93 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 3gpq h ARG 90 CO 0.08 0.51 -0.51 0.93 -1.51 0.00 0.00 179.97 179.47 3gpq h GLU 91 N 0.79 0.22 -0.75 0.20 5.08 -1.08 -1.56 114.58 117.48 3gpq h GLU 91 Ca 0.32 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 3gpq h GLU 91 Cb 0.16 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 3gpq h GLU 91 CO -0.17 0.68 0.45 0.28 -1.00 0.00 0.00 179.01 179.25 3gpq h VAL 92 N 0.17 1.04 -0.50 3.13 2.07 -0.63 0.11 116.25 121.64 3gpq h VAL 92 Ca 0.00 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 3gpq h VAL 92 Cb 0.97 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3gpq h VAL 92 CO 0.08 0.16 0.12 0.00 0.02 0.00 0.00 177.57 177.94 3gpq h ALA 93 N 1.35 0.66 0.13 1.67 0.00 -0.73 0.51 119.26 122.84 3gpq h ALA 93 Ca 0.32 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3gpq h ALA 93 Cb 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3gpq h ALA 93 CO -0.15 0.35 -0.16 -0.22 0.00 0.00 0.00 179.25 179.07 3gpq h LYS 94 N 0.69 -0.31 -0.33 0.00 3.64 -1.05 -0.94 116.57 118.26 3gpq h LYS 94 Ca 0.16 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3gpq h LYS 94 Cb 0.33 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3gpq h LYS 94 CO 0.00 -0.21 0.18 0.93 -2.27 0.00 0.00 179.45 178.09 3gpq h GLU 95 N -0.32 0.37 -0.56 1.90 4.39 -0.47 -1.11 114.58 118.77 3gpq h GLU 95 Ca 0.01 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.73 3gpq h GLU 95 Cb 0.32 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 3gpq h GLU 95 CO -0.06 0.24 0.37 0.28 -1.16 0.00 0.00 179.01 178.68 3gpq h VAL 96 N 0.38 1.05 -0.09 3.13 2.07 -0.73 -1.59 116.25 120.47 3gpq h VAL 96 Ca 0.13 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 3gpq h VAL 96 Cb 0.02 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3gpq h VAL 96 CO -0.07 0.11 -0.08 0.74 0.02 0.00 0.00 177.57 178.29 3gpq h THR 97 N 0.62 1.36 -0.21 2.57 2.02 -0.70 -2.78 112.91 115.80 3gpq h THR 97 Ca 0.23 -1.22 -0.11 0.00 0.77 0.00 0.00 66.41 66.08 3gpq h THR 97 Cb 0.13 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 3gpq h THR 97 CO -0.06 0.34 -0.33 -0.09 0.37 0.00 0.00 175.52 175.75 3gpq h ARG 98 N -0.21 0.43 0.00 6.66 2.43 -0.60 -1.24 114.38 121.85 3gpq h ARG 98 Ca 0.01 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 58.96 3gpq h ARG 98 Cb 0.59 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3gpq h ARG 98 CO 0.02 0.71 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.95 3gpq h LEU 99 N 0.37 0.00 0.02 3.80 3.38 -1.37 -3.47 115.31 118.04 3gpq h LEU 99 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3gpq h LEU 99 Cb 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3gpq h LEU 99 CO 0.06 0.17 -0.01 0.61 0.09 0.00 0.00 178.44 179.36 3gpq n GLY 100 N 0.23 0.40 3.72 0.83 0.00 -0.47 -4.99 105.19 104.90 3gpq n GLY 100 Ca 0.01 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 3gpq n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gpq s VAL 101 N -1.76 2.49 -0.17 1.61 -7.23 -1.23 -4.95 120.40 109.16 3gpq s VAL 101 Ca 0.00 0.20 0.22 0.00 -1.81 0.00 0.00 61.98 60.59 3gpq s VAL 101 Cb 0.00 -2.60 -0.11 0.00 0.56 0.00 0.00 36.38 34.23 3gpq s VAL 101 CO 0.00 -0.16 0.85 0.59 -0.31 0.00 0.00 175.10 176.06 3gpq n ASN 102 N -3.23 0.59 -3.76 4.85 3.02 -1.26 -4.68 115.26 110.78 3gpq n ASN 102 Ca 0.12 0.23 -0.10 0.00 -0.03 0.00 0.00 54.58 54.80 3gpq n ASN 102 Cb 0.51 0.89 -0.06 0.00 -0.61 0.00 0.00 39.78 40.51 3gpq n ASN 102 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3gpq s SER 103 N -5.15 -0.10 -0.16 6.41 1.04 -1.26 -1.32 113.70 113.16 3gpq s SER 103 Ca -0.03 -0.52 -0.14 0.00 0.48 0.00 0.00 55.95 55.74 3gpq s SER 103 Cb 0.11 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.71 3gpq s SER 103 CO 0.83 -0.85 0.43 0.54 0.98 0.00 0.00 173.24 175.17 3gpq s VAL 104 N -3.85 -0.00 -0.19 5.02 0.11 -0.85 -3.25 120.40 117.38 3gpq s VAL 104 Ca 0.07 0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 59.04 3gpq s VAL 104 Cb 0.03 -0.60 -0.05 0.00 -1.53 0.00 0.00 36.38 34.23 3gpq s VAL 104 CO -0.09 0.00 0.10 0.00 -3.33 0.00 0.00 175.10 171.78 3gpq s ALA 105 N 0.33 3.54 -0.02 1.54 0.00 -0.68 -0.97 121.76 125.50 3gpq s ALA 105 Ca -0.01 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 3gpq s ALA 105 Cb -0.03 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 21.06 3gpq s ALA 105 CO -0.01 0.16 0.04 -1.50 0.00 0.00 0.00 175.76 174.45 3gpq s ILE 106 N 0.39 -0.04 0.54 0.00 2.07 -0.28 -0.94 121.20 122.94 3gpq s ILE 106 Ca 0.05 0.13 -0.01 0.00 -1.41 0.00 0.00 60.65 59.41 3gpq s ILE 106 Cb -0.12 -0.09 0.02 0.00 0.13 0.00 0.00 42.46 42.40 3gpq s ILE 106 CO -0.01 0.05 0.79 -2.16 -1.91 0.00 0.00 174.94 171.70 3gpq s PRO 107 N 0.69 2.76 -0.37 3.50 0.04 -1.26 -1.19 135.00 139.17 3gpq s PRO 107 Ca -0.06 -0.48 -0.25 0.00 0.04 0.00 0.00 61.00 60.25 3gpq s PRO 107 Cb -0.08 -2.44 0.01 0.00 0.04 0.00 0.00 34.50 32.04 3gpq s PRO 107 CO -0.02 -0.61 0.91 -0.51 0.04 0.00 0.00 177.00 176.81 3gpq s LEU 108 N -4.78 4.01 0.57 -3.56 1.43 -1.26 -4.95 118.68 110.15 3gpq s LEU 108 Ca 0.54 0.56 -0.19 0.00 -1.03 0.00 0.00 54.13 54.01 3gpq s LEU 108 Cb -0.10 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 3gpq s LEU 108 CO 0.40 -0.84 1.18 -0.76 0.23 0.00 0.00 176.35 176.56 3gpq s LEU 109 N 3.42 3.70 -1.55 1.79 1.43 -1.26 -3.39 118.68 122.82 3gpq s LEU 109 Ca 0.37 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 3gpq s LEU 109 Cb -0.12 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.51 3gpq s LEU 109 CO 0.18 -1.45 0.00 -1.20 0.23 0.00 0.00 176.35 174.12 3gpq n SER 110 N -1.47 -4.77 -5.03 2.29 7.64 -1.26 -4.75 113.62 106.27 3gpq n SER 110 Ca 0.13 0.36 -0.20 0.00 1.01 0.00 0.00 58.87 60.17 3gpq n SER 110 Cb 0.50 -3.55 0.06 0.00 -1.01 0.00 0.00 64.21 60.21 3gpq n SER 110 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3gpq s THR 111 N -2.54 2.05 0.00 0.44 -4.23 -1.22 -3.38 115.64 106.77 3gpq s THR 111 Ca 0.00 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 3gpq s THR 111 Cb 0.00 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.75 3gpq s THR 111 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3gpq n GLY 112 N -2.23 4.29 0.30 3.99 0.00 -1.26 -2.38 105.19 107.90 3gpq n GLY 112 Ca 0.15 0.12 0.18 0.00 0.00 0.00 0.00 46.02 46.47 3gpq n GLY 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3gpq h VAL 113 N 0.00 0.20 -0.35 1.61 -1.51 -1.96 -1.52 116.25 112.72 3gpq h VAL 113 Ca 0.00 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 3gpq h VAL 113 Cb 0.00 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 3gpq h VAL 113 CO 0.00 0.03 0.00 -1.22 -1.23 0.00 0.00 177.57 175.15 3gpq n TYR 114 N -3.30 0.45 0.64 5.19 4.02 -1.00 -4.55 117.16 118.60 3gpq n TYR 114 Ca -0.02 -0.27 0.13 0.00 -0.01 0.00 0.00 57.90 57.74 3gpq n TYR 114 Cb 0.17 -0.00 0.40 0.00 -0.02 0.00 0.00 39.34 39.88 3gpq n TYR 114 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3gpq n SER 115 N 1.25 0.76 -2.87 7.72 3.41 -0.57 0.11 113.62 123.42 3gpq n SER 115 Ca 0.17 0.53 -0.20 0.00 -0.26 0.00 0.00 58.87 59.10 3gpq n SER 115 Cb 0.54 -0.69 0.04 0.00 -0.26 0.00 0.00 64.21 63.84 3gpq n SER 115 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gpq n GLY 116 N 1.32 -0.39 2.21 5.00 0.00 -1.26 -2.52 105.19 109.55 3gpq n GLY 116 Ca 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 3gpq n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gpq n GLY 117 N -1.57 0.44 3.53 -0.02 0.00 -1.26 -4.88 105.19 101.42 3gpq n GLY 117 Ca -0.07 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 3gpq n GLY 117 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gpq s LYS 118 N -0.72 1.95 -0.38 1.61 2.20 -1.05 -5.07 119.74 118.27 3gpq s LYS 118 Ca 0.00 -1.10 -0.29 0.00 -0.36 0.00 0.00 55.97 54.22 3gpq s LYS 118 Cb 0.00 -2.20 0.01 0.00 -1.51 0.00 0.00 37.83 34.13 3gpq s LYS 118 CO 0.00 0.50 1.28 0.34 -0.36 0.00 0.00 175.35 177.10 3gpq s ASP 119 N -2.13 6.57 -0.21 1.43 -1.08 -1.26 -4.79 116.67 115.21 3gpq s ASP 119 Ca 0.19 0.89 0.14 0.00 -0.52 0.00 0.00 52.55 53.26 3gpq s ASP 119 Cb -0.11 -2.54 0.50 0.00 -1.46 0.00 0.00 42.92 39.31 3gpq s ASP 119 CO 0.11 -1.22 1.42 0.54 0.52 0.00 0.00 175.17 176.54 3gpq n ARG 120 N 7.65 2.44 0.12 4.34 1.74 -1.26 -4.77 116.66 126.93 3gpq n ARG 120 Ca 0.14 -2.92 -0.15 0.00 -0.77 0.00 0.00 57.85 54.15 3gpq n ARG 120 Cb 0.48 -1.81 -0.08 0.00 -1.02 0.00 0.00 32.46 30.03 3gpq n ARG 120 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3gpq h LEU 121 N 1.39 -1.29 -0.30 0.55 6.46 -1.96 0.62 115.31 120.77 3gpq h LEU 121 Ca 0.07 0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 57.94 3gpq h LEU 121 Cb 1.49 0.48 -0.01 0.00 -0.73 0.00 0.00 40.66 41.89 3gpq h LEU 121 CO 0.26 -0.50 0.05 0.74 -0.62 0.00 0.00 178.44 178.37 3gpq h THR 122 N -0.68 1.23 0.09 1.05 2.02 -1.99 -0.83 112.91 113.81 3gpq h THR 122 Ca 0.02 -0.81 0.02 0.00 0.77 0.00 0.00 66.41 66.41 3gpq h THR 122 Cb 0.70 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 3gpq h THR 122 CO -0.25 0.26 -0.19 -0.61 0.37 0.00 0.00 175.52 175.11 3gpq h GLN 123 N 0.32 -0.35 -0.58 6.66 4.15 -1.87 -0.49 115.11 122.96 3gpq h GLN 123 Ca 0.09 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.45 3gpq h GLN 123 Cb 0.34 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 3gpq h GLN 123 CO 0.01 -0.23 0.04 1.03 -1.93 0.00 0.00 178.83 177.75 3gpq h SER 124 N -0.36 0.97 -0.62 -0.69 0.87 -0.79 -2.79 113.55 110.14 3gpq h SER 124 Ca 0.03 -0.29 -0.07 0.00 -1.23 0.00 0.00 61.79 60.23 3gpq h SER 124 Cb 0.39 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 3gpq h SER 124 CO -0.12 1.02 0.13 0.25 -0.53 0.00 0.00 176.83 177.58 3gpq h LEU 125 N 0.89 0.97 -0.70 2.23 5.85 -1.07 -1.05 115.31 122.43 3gpq h LEU 125 Ca 0.17 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 3gpq h LEU 125 Cb 0.49 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3gpq h LEU 125 CO 0.02 0.96 0.22 0.78 -0.34 0.00 0.00 178.44 180.07 3gpq h ASN 126 N 0.97 1.03 0.36 1.25 2.35 -0.92 0.36 115.58 120.97 3gpq h ASN 126 Ca 0.20 -0.21 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 3gpq h ASN 126 Cb 0.38 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3gpq h ASN 126 CO 0.01 0.96 -0.47 0.45 -1.65 0.00 0.00 177.43 176.73 3gpq h HIS 127 N 1.03 0.16 -0.04 1.19 3.86 -1.29 -1.83 115.15 118.24 3gpq h HIS 127 Ca 0.23 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3gpq h HIS 127 Cb 0.31 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 3gpq h HIS 127 CO 0.02 0.58 0.01 1.25 0.86 0.00 0.00 177.93 180.65 3gpq h LEU 128 N 0.11 0.06 0.03 2.43 6.46 -0.28 -2.24 115.31 121.88 3gpq h LEU 128 Ca 0.00 -0.25 -0.00 0.00 -0.12 0.00 0.00 57.88 57.51 3gpq h LEU 128 Cb 0.87 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.79 3gpq h LEU 128 CO 0.07 0.30 -0.02 -0.26 -0.62 0.00 0.00 178.44 177.91 3gpq h PHE 129 N -0.18 -0.04 -0.60 1.25 0.04 -0.92 -0.34 116.94 116.14 3gpq h PHE 129 Ca 0.01 -0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.91 3gpq h PHE 129 Cb 0.26 0.01 -0.10 0.00 2.20 0.00 0.00 35.95 38.32 3gpq h PHE 129 CO 0.01 -0.01 -0.03 1.15 -0.60 0.00 0.00 178.31 178.84 3gpq h THR 130 N -0.06 0.48 -0.02 -1.55 2.02 -1.33 -0.44 112.91 112.01 3gpq h THR 130 Ca -0.00 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 67.08 3gpq h THR 130 Cb 0.05 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3gpq h THR 130 CO 0.01 0.02 -0.24 0.00 0.37 0.00 0.00 175.52 175.67 3gpq h ALA 131 N 1.56 0.05 0.00 6.16 0.00 -1.25 -3.35 119.26 122.44 3gpq h ALA 131 Ca 0.31 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3gpq h ALA 131 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3gpq h ALA 131 CO -0.54 0.08 0.00 0.52 0.00 0.00 0.00 179.25 179.32 3gpq h MET 132 N -0.43 0.00 0.00 0.00 2.07 -0.90 -3.16 114.93 112.50 3gpq h MET 132 Ca -0.03 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 3gpq h MET 132 Cb 0.96 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.69 3gpq h MET 132 CO 0.05 0.00 0.06 -0.44 1.07 0.00 0.00 176.91 177.65 3gpq h ASP 133 N 0.00 0.00 -0.55 1.22 3.32 -1.21 -0.39 116.42 118.80 3gpq h ASP 133 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gpq h ASP 133 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3gpq h ASP 133 CO 0.00 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.98 3gpq n SER 134 N -2.52 4.19 -4.79 6.45 3.41 -1.20 -4.92 113.62 114.24 3gpq n SER 134 Ca -0.02 -2.37 -0.25 0.00 -0.26 0.00 0.00 58.87 55.97 3gpq n SER 134 Cb 0.10 -0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 63.51 3gpq n SER 134 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3gpq s THR 135 N -1.68 4.40 -2.28 6.66 -4.23 -0.16 -5.01 115.64 113.34 3gpq s THR 135 Ca 0.44 -1.22 0.22 0.00 -1.18 0.00 0.00 61.69 59.95 3gpq s THR 135 Cb 0.28 -3.29 0.48 0.00 1.34 0.00 0.00 72.50 71.32 3gpq s THR 135 CO 0.22 -0.19 1.60 -0.67 -0.54 0.00 0.00 174.62 175.04 3gpq n ASP 136 N -0.59 1.47 -4.87 3.99 2.03 -1.26 -4.99 116.55 112.33 3gpq n ASP 136 Ca -0.08 -1.64 -0.33 0.00 0.52 0.00 0.00 54.79 53.25 3gpq n ASP 136 Cb 0.56 -0.08 -0.05 0.00 -0.72 0.00 0.00 41.12 40.82 3gpq n ASP 136 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gpq s ALA 137 N -1.84 3.64 0.18 -1.67 0.00 -1.26 -4.52 121.76 116.29 3gpq s ALA 137 Ca 0.33 -0.31 -0.32 0.00 0.00 0.00 0.00 51.96 51.66 3gpq s ALA 137 Cb 0.18 -2.37 -0.11 0.00 0.00 0.00 0.00 23.12 20.82 3gpq s ALA 137 CO 0.27 0.54 1.60 -0.51 0.00 0.00 0.00 175.76 177.65 3gpq s ASP 138 N -2.11 6.54 -0.15 0.00 1.01 -0.43 -4.44 116.67 117.09 3gpq s ASP 138 Ca 0.41 2.69 -0.01 0.00 0.71 0.00 0.00 52.55 56.34 3gpq s ASP 138 Cb -0.13 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.19 3gpq s ASP 138 CO 0.21 -0.85 -0.10 -0.69 0.21 0.00 0.00 175.17 173.94 3gpq s VAL 139 N 1.06 3.26 -0.27 -1.27 1.01 0.16 -2.01 120.40 122.34 3gpq s VAL 139 Ca 0.70 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.12 3gpq s VAL 139 Cb -0.45 -2.40 0.06 0.00 0.00 0.00 0.00 36.38 33.59 3gpq s VAL 139 CO 0.32 0.50 -0.08 -0.69 0.00 0.00 0.00 175.10 175.16 3gpq s VAL 140 N 0.54 2.41 -0.12 2.92 1.01 -0.14 -0.91 120.40 126.11 3gpq s VAL 140 Ca -0.07 -1.58 -0.22 0.00 0.00 0.00 0.00 61.98 60.12 3gpq s VAL 140 Cb -0.15 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3gpq s VAL 140 CO 0.03 -0.06 0.65 -0.63 0.00 0.00 0.00 175.10 175.09 3gpq s ILE 141 N 1.14 5.06 -0.07 2.22 1.01 0.12 -1.12 121.20 129.55 3gpq s ILE 141 Ca -0.08 1.29 -0.03 0.00 0.00 0.00 0.00 60.65 61.84 3gpq s ILE 141 Cb -0.20 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 3gpq s ILE 141 CO -0.04 0.21 0.08 -0.31 0.00 0.00 0.00 174.94 174.88 3gpq s TYR 142 N 1.15 3.35 0.34 3.97 2.02 -0.33 -0.42 117.35 127.44 3gpq s TYR 142 Ca 0.33 0.31 -0.03 0.00 -0.37 0.00 0.00 57.07 57.31 3gpq s TYR 142 Cb -0.17 -1.83 0.01 0.00 -0.40 0.00 0.00 41.96 39.57 3gpq s TYR 142 CO 0.14 0.59 0.49 0.00 -1.57 0.00 0.00 175.55 175.20 3gpq n ARG 144 N -0.56 1.67 -3.54 0.00 3.00 -1.26 -2.18 116.66 113.79 3gpq n ARG 144 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 3gpq n ARG 144 Cb 0.61 -0.88 -0.06 0.00 0.00 0.00 0.00 32.46 32.14 3gpq n ARG 144 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3gpq s ASP 145 N -1.63 6.72 0.20 6.15 2.15 -1.26 -4.90 116.67 124.10 3gpq s ASP 145 Ca 0.00 0.87 -0.03 0.00 0.43 0.00 0.00 52.55 53.82 3gpq s ASP 145 Cb 0.00 -2.21 0.16 0.00 -0.30 0.00 0.00 42.92 40.57 3gpq s ASP 145 CO 0.00 0.24 1.56 0.11 -0.17 0.00 0.00 175.17 176.91 3gpq h LYS 146 N 4.15 0.64 -0.21 4.34 1.57 -2.00 -1.97 116.57 123.10 3gpq h LYS 146 Ca -0.50 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 57.92 3gpq h LYS 146 Cb 1.21 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3gpq h LYS 146 CO 0.64 0.93 0.03 0.93 -0.57 0.00 0.00 179.45 181.42 3gpq h GLU 147 N 0.52 0.35 -0.42 3.15 5.08 -2.00 -2.60 114.58 118.66 3gpq h GLU 147 Ca 0.04 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3gpq h GLU 147 Cb 0.93 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 3gpq h GLU 147 CO 0.08 0.50 0.24 -1.49 -1.00 0.00 0.00 179.01 177.34 3gpq h TRP 148 N 0.15 0.46 -0.61 4.33 4.06 -1.98 -1.54 115.95 120.82 3gpq h TRP 148 Ca 0.06 0.01 0.11 0.00 2.06 0.00 0.00 58.89 61.14 3gpq h TRP 148 Cb 0.32 -0.15 -0.08 0.00 -1.00 0.00 0.00 29.16 28.25 3gpq h TRP 148 CO 0.02 0.26 0.17 1.49 -3.56 0.00 0.00 178.44 176.82 3gpq h GLU 149 N 0.49 0.31 -0.56 0.49 4.81 -1.27 0.94 114.58 119.79 3gpq h GLU 149 Ca 0.17 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 3gpq h GLU 149 Cb 0.02 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3gpq h GLU 149 CO -0.08 0.20 -0.01 0.87 -0.73 0.00 0.00 179.01 179.26 3gpq h LYS 150 N 0.32 0.99 -0.25 1.92 1.57 -1.09 -0.32 116.57 119.71 3gpq h LYS 150 Ca 0.31 -0.32 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 3gpq h LYS 150 Cb 0.44 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3gpq h LYS 150 CO -0.37 1.00 -0.52 0.87 -0.57 0.00 0.00 179.45 179.86 3gpq h LYS 151 N 0.87 0.71 0.10 3.15 1.57 -0.68 -1.09 116.57 121.20 3gpq h LYS 151 Ca 0.16 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 3gpq h LYS 151 Cb 0.56 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3gpq h LYS 151 CO 0.03 1.05 -0.05 0.82 -0.57 0.00 0.00 179.45 180.73 3gpq h ILE 152 N 0.55 1.01 -0.89 1.86 2.04 -0.70 -0.67 117.51 120.72 3gpq h ILE 152 Ca 0.02 -0.44 0.16 0.00 1.00 0.00 0.00 64.86 65.60 3gpq h ILE 152 Cb 1.08 1.29 -0.10 0.00 -0.74 0.00 0.00 36.82 38.36 3gpq h ILE 152 CO 0.11 0.11 0.47 -1.28 0.00 0.00 0.00 178.15 177.55 3gpq h SER 153 N -0.34 0.57 0.47 1.72 0.87 -1.03 0.15 113.55 115.95 3gpq h SER 153 Ca -0.01 0.10 -0.15 0.00 -1.23 0.00 0.00 61.79 60.49 3gpq h SER 153 Cb 0.28 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3gpq h SER 153 CO 0.02 0.22 -0.66 -0.33 -0.53 0.00 0.00 176.83 175.55 3gpq h GLU 154 N 0.64 0.17 -0.46 2.24 5.08 -1.07 -1.76 114.58 119.42 3gpq h GLU 154 Ca 0.49 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.59 3gpq h GLU 154 Cb 0.73 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3gpq h GLU 154 CO -0.38 0.77 -0.21 0.00 -1.00 0.00 0.00 179.01 178.19 3gpq h ALA 155 N 1.19 0.65 0.39 3.43 0.00 0.41 -2.35 119.26 122.98 3gpq h ALA 155 Ca -0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3gpq h ALA 155 Cb 1.19 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3gpq h ALA 155 CO 0.10 0.63 -0.22 0.82 0.00 0.00 0.00 179.25 180.58 3gpq h ILE 156 N 0.81 0.54 -0.82 0.00 2.04 -0.68 -3.09 117.51 116.30 3gpq h ILE 156 Ca 0.10 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.11 3gpq h ILE 156 Cb 0.79 0.54 -0.10 0.00 -0.74 0.00 0.00 36.82 37.31 3gpq h ILE 156 CO 0.07 0.00 0.39 1.56 0.00 0.00 0.00 178.15 180.17 3gpq h GLN 157 N -0.58 0.54 0.00 2.37 1.08 -1.21 0.45 115.11 117.75 3gpq h GLN 157 Ca -0.05 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3gpq h GLN 157 Cb 0.47 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3gpq h GLN 157 CO 0.06 0.35 0.00 -0.12 -0.95 0.00 0.00 178.83 178.17 3gpq n MET 158 N -4.92 0.35 -0.07 1.46 1.56 -0.89 -3.74 117.12 110.87 3gpq n MET 158 Ca 0.16 0.08 -0.08 0.00 -0.27 0.00 0.00 57.70 57.60 3gpq n MET 158 Cb 0.44 -1.50 -0.09 0.00 2.15 0.00 0.00 33.22 34.22 3gpq n MET 158 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 3gpq n ARG 159 N -1.21 1.42 0.00 2.12 1.74 0.10 -5.10 116.66 115.74 3gpq n ARG 159 Ca 0.10 0.03 0.04 0.00 -0.77 0.00 0.00 57.85 57.25 3gpq n ARG 159 Cb 0.12 -1.31 0.03 0.00 -1.02 0.00 0.00 32.46 30.28 3gpq n ARG 159 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36