#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g7z s GLN 2 N 0.00 4.17 0.00 2.12 0.74 -1.26 -1.46 119.66 123.97 3g7z s GLN 2 Ca 0.00 2.49 0.00 0.00 0.05 0.00 0.00 55.36 57.90 3g7z s GLN 2 Cb 0.00 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 31.00 3g7z s GLN 2 CO 0.00 -0.68 0.00 1.19 -0.55 0.00 0.00 175.29 175.25 3g7z n PHE 3 N 3.95 0.00 -2.70 1.67 3.72 0.31 -4.87 117.46 119.54 3g7z n PHE 3 Ca 0.15 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.16 3g7z n PHE 3 Cb 0.37 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.85 3g7z n PHE 3 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3g7z s LYS 4 N -0.02 4.69 -0.15 -1.08 -0.14 -0.53 -0.37 119.74 122.13 3g7z s LYS 4 Ca 0.00 1.49 -0.14 0.00 -1.36 0.00 0.00 55.97 55.96 3g7z s LYS 4 Cb 0.00 -3.06 -0.05 0.00 -1.68 0.00 0.00 37.83 33.05 3g7z s LYS 4 CO 0.00 0.35 0.31 0.08 -0.76 0.00 0.00 175.35 175.32 3g7z s VAL 5 N -1.35 5.29 0.32 3.17 1.01 -0.40 -0.99 120.40 127.45 3g7z s VAL 5 Ca 0.46 0.58 0.06 0.00 0.00 0.00 0.00 61.98 63.07 3g7z s VAL 5 Cb -0.24 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 3g7z s VAL 5 CO 0.30 0.40 -0.01 -0.31 0.00 0.00 0.00 175.10 175.48 3g7z s TYR 6 N 0.37 2.07 0.40 5.22 1.51 0.08 -0.83 117.35 126.15 3g7z s TYR 6 Ca 0.17 -0.77 -0.05 0.00 -1.01 0.00 0.00 57.07 55.41 3g7z s TYR 6 Cb -0.13 -1.29 -0.05 0.00 -0.11 0.00 0.00 41.96 40.39 3g7z s TYR 6 CO 0.05 0.23 0.69 0.95 -1.11 0.00 0.00 175.55 176.36 3g7z s THR 7 N -3.04 4.94 -0.35 -0.71 -4.23 -0.93 -1.27 115.64 110.06 3g7z s THR 7 Ca 0.33 0.14 -0.08 0.00 -1.18 0.00 0.00 61.69 60.90 3g7z s THR 7 Cb 0.06 -3.81 0.04 0.00 1.34 0.00 0.00 72.50 70.13 3g7z s THR 7 CO 0.14 -0.61 0.13 -0.47 -0.54 0.00 0.00 174.62 173.28 3g7z s TYR 8 N -2.44 3.25 -1.43 3.99 5.04 -0.28 -1.14 117.35 124.34 3g7z s TYR 8 Ca 0.46 -1.28 -0.09 0.00 -2.44 0.00 0.00 57.07 53.72 3g7z s TYR 8 Cb -0.10 -2.32 0.06 0.00 0.35 0.00 0.00 41.96 39.94 3g7z s TYR 8 CO 0.37 -0.70 2.42 1.63 -1.34 0.00 0.00 175.55 177.93 3g7z n LYS 9 N 4.87 3.84 -3.58 4.97 5.02 0.77 -4.83 118.16 129.22 3g7z n LYS 9 Ca -0.12 -2.97 -0.14 0.00 -2.02 0.00 0.00 58.31 53.06 3g7z n LYS 9 Cb 0.45 -2.85 -0.06 0.00 -0.02 0.00 0.00 35.03 32.55 3g7z n LYS 9 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3g7z s ARG 10 N 0.86 0.84 -0.14 1.97 1.81 -1.26 -4.77 118.95 118.25 3g7z s ARG 10 Ca 0.54 0.54 -0.29 0.00 -1.72 0.00 0.00 55.73 54.80 3g7z s ARG 10 Cb 0.16 0.40 -0.05 0.00 -0.45 0.00 0.00 34.95 35.01 3g7z s ARG 10 CO -0.06 -0.19 1.79 -2.00 -0.68 0.00 0.00 175.30 174.16 3g7z s GLU 11 N -0.45 3.83 0.09 3.54 2.12 -1.26 -4.91 118.70 121.66 3g7z s GLU 11 Ca -0.04 2.01 -0.26 0.00 0.36 0.00 0.00 54.97 57.04 3g7z s GLU 11 Cb -0.02 -4.11 0.08 0.00 0.26 0.00 0.00 34.13 30.34 3g7z s GLU 11 CO 0.03 -1.28 0.87 0.45 -0.54 0.00 0.00 175.26 174.80 3g7z s SER 12 N 4.78 -0.32 0.34 -1.70 0.15 -1.26 -5.01 113.70 110.69 3g7z s SER 12 Ca 0.80 -0.18 0.10 0.00 0.70 0.00 0.00 55.95 57.37 3g7z s SER 12 Cb -0.31 0.47 0.61 0.00 -1.71 0.00 0.00 66.02 65.08 3g7z s SER 12 CO 0.33 -0.80 1.79 0.08 1.20 0.00 0.00 173.24 175.83 3g7z h ARG 13 N 2.00 0.14 -5.71 5.44 0.11 -2.01 -3.43 114.38 110.91 3g7z h ARG 13 Ca -0.24 -0.05 -0.61 0.00 0.10 0.00 0.00 59.98 59.17 3g7z h ARG 13 Cb 1.25 -0.01 -0.08 0.00 1.11 0.00 0.00 29.97 32.24 3g7z h ARG 13 CO 0.29 0.48 -0.31 0.71 0.10 0.00 0.00 179.97 181.24 3g7z s TYR 14 N -4.25 3.59 -0.26 4.08 2.02 -1.26 -4.98 117.35 116.28 3g7z s TYR 14 Ca -0.04 0.73 0.10 0.00 -0.37 0.00 0.00 57.07 57.49 3g7z s TYR 14 Cb 0.14 -2.24 -0.13 0.00 -0.40 0.00 0.00 41.96 39.33 3g7z s TYR 14 CO 0.75 0.48 0.33 0.54 -1.57 0.00 0.00 175.55 176.08 3g7z n ARG 15 N 2.63 2.27 -3.98 -0.62 5.12 -1.26 -4.79 116.66 116.02 3g7z n ARG 15 Ca -0.14 -0.04 -0.10 0.00 -1.93 0.00 0.00 57.85 55.63 3g7z n ARG 15 Cb 0.53 -1.08 -0.12 0.00 -1.16 0.00 0.00 32.46 30.63 3g7z n ARG 15 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3g7z s LEU 16 N -3.00 2.19 0.06 0.55 1.43 -1.26 -1.13 118.68 117.52 3g7z s LEU 16 Ca 0.00 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 52.63 3g7z s LEU 16 Cb 0.07 0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.31 3g7z s LEU 16 CO 0.41 -0.22 0.14 0.72 0.23 0.00 0.00 176.35 177.63 3g7z s PHE 17 N -1.14 0.18 -0.19 0.29 -0.71 -0.40 0.15 117.98 116.17 3g7z s PHE 17 Ca -0.11 -0.53 -0.04 0.00 -1.04 0.00 0.00 56.93 55.20 3g7z s PHE 17 Cb -0.08 -0.11 -0.02 0.00 -1.21 0.00 0.00 43.02 41.60 3g7z s PHE 17 CO -0.01 -0.44 -0.03 0.54 -1.34 0.00 0.00 175.22 173.95 3g7z s VAL 18 N -3.12 3.77 -0.04 -2.49 0.11 0.28 -0.74 120.40 118.17 3g7z s VAL 18 Ca -0.01 -0.38 -0.30 0.00 -2.93 0.00 0.00 61.98 58.37 3g7z s VAL 18 Cb 0.02 -2.69 -0.06 0.00 -1.53 0.00 0.00 36.38 32.12 3g7z s VAL 18 CO -0.07 0.45 1.75 -0.62 -3.33 0.00 0.00 175.10 173.28 3g7z s ASP 19 N 0.90 6.58 -0.05 3.54 -1.08 -0.16 -1.14 116.67 125.25 3g7z s ASP 19 Ca 0.00 2.33 0.07 0.00 -0.52 0.00 0.00 52.55 54.44 3g7z s ASP 19 Cb -0.14 -2.53 0.11 0.00 -1.46 0.00 0.00 42.92 38.90 3g7z s ASP 19 CO 0.02 -0.99 1.03 1.33 0.52 0.00 0.00 175.17 177.08 3g7z n VAL 20 N 5.56 1.25 -3.34 1.11 0.24 -0.81 0.11 118.33 122.47 3g7z n VAL 20 Ca 0.18 -1.40 -0.38 0.00 -2.04 0.00 0.00 64.34 60.70 3g7z n VAL 20 Cb 0.42 0.24 -0.06 0.00 -1.47 0.00 0.00 33.84 32.97 3g7z n VAL 20 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3g7z s GLN 21 N -1.64 4.14 0.36 7.34 0.74 -1.23 -4.94 119.66 124.43 3g7z s GLN 21 Ca 0.12 0.61 -0.26 0.00 0.05 0.00 0.00 55.36 55.89 3g7z s GLN 21 Cb 0.11 -3.26 -0.12 0.00 1.10 0.00 0.00 33.01 30.83 3g7z s GLN 21 CO 0.01 0.59 0.92 0.45 -0.55 0.00 0.00 175.29 176.72 3g7z n SER 22 N 2.01 0.88 0.09 6.67 2.88 -1.26 -4.23 113.62 120.66 3g7z n SER 22 Ca -0.11 1.08 0.12 0.00 -1.33 0.00 0.00 58.87 58.63 3g7z n SER 22 Cb 0.51 -1.28 0.45 0.00 -0.75 0.00 0.00 64.21 63.15 3g7z n SER 22 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3g7z n ASP 23 N 0.97 0.58 0.04 -3.46 8.00 -1.26 -2.91 116.55 118.51 3g7z n ASP 23 Ca 0.10 0.59 0.11 0.00 0.71 0.00 0.00 54.79 56.31 3g7z n ASP 23 Cb 0.36 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 3g7z n ASP 23 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3g7z n ILE 24 N -2.08 0.27 -2.93 0.53 -5.35 -1.26 -4.67 119.36 103.87 3g7z n ILE 24 Ca 0.04 -0.36 -0.43 0.00 -0.27 0.00 0.00 62.75 61.73 3g7z n ILE 24 Cb 0.31 0.02 -0.04 0.00 -1.74 0.00 0.00 39.64 38.20 3g7z n ILE 24 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3g7z s ILE 25 N -3.28 4.46 -0.50 7.28 -1.09 -1.15 -5.01 121.20 121.92 3g7z s ILE 25 Ca 0.01 -0.53 -0.12 0.00 -2.23 0.00 0.00 60.65 57.78 3g7z s ILE 25 Cb 0.13 -4.63 0.12 0.00 -1.58 0.00 0.00 42.46 36.51 3g7z s ILE 25 CO 0.81 -1.36 0.41 -0.62 -1.23 0.00 0.00 174.94 172.95 3g7z s ASP 26 N 3.65 5.90 -0.77 3.58 2.15 -1.26 -4.77 116.67 125.16 3g7z s ASP 26 Ca 0.19 -1.86 -0.15 0.00 0.43 0.00 0.00 52.55 51.16 3g7z s ASP 26 Cb -0.19 -2.09 0.18 0.00 -0.30 0.00 0.00 42.92 40.52 3g7z s ASP 26 CO 0.09 -0.76 0.76 0.42 -0.17 0.00 0.00 175.17 175.51 3g7z s THR 27 N 1.46 5.38 -0.52 1.71 -4.23 -1.26 -5.00 115.64 113.17 3g7z s THR 27 Ca 0.05 -2.08 -0.42 0.00 -1.18 0.00 0.00 61.69 58.05 3g7z s THR 27 Cb -0.28 -4.48 -0.18 0.00 1.34 0.00 0.00 72.50 68.90 3g7z s THR 27 CO 0.01 -1.06 2.19 -2.65 -0.54 0.00 0.00 174.62 172.57 3g7z n PRO 28 N 4.68 0.13 0.00 3.99 -0.02 -1.26 -0.95 135.00 141.56 3g7z n PRO 28 Ca 0.08 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3g7z n PRO 28 Cb 0.46 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 3g7z n PRO 28 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g7z n GLY 29 N 7.30 1.45 3.05 -1.23 0.00 -1.26 -5.06 105.19 109.45 3g7z n GLY 29 Ca 0.54 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.41 3g7z n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g7z s ARG 30 N -0.83 0.58 0.01 1.61 0.52 -0.13 -0.14 118.95 120.57 3g7z s ARG 30 Ca 0.00 -0.58 0.02 0.00 -0.52 0.00 0.00 55.73 54.65 3g7z s ARG 30 Cb 0.00 -0.47 -0.01 0.00 0.52 0.00 0.00 34.95 34.99 3g7z s ARG 30 CO 0.00 0.11 -0.06 1.03 0.02 0.00 0.00 175.30 176.40 3g7z s ARG 31 N -1.03 0.49 0.04 3.54 1.81 -0.96 -4.41 118.95 118.45 3g7z s ARG 31 Ca -0.04 -0.33 -0.28 0.00 -1.72 0.00 0.00 55.73 53.36 3g7z s ARG 31 Cb -0.07 -0.44 -0.05 0.00 -0.45 0.00 0.00 34.95 33.95 3g7z s ARG 31 CO 0.00 0.11 0.90 1.41 -0.68 0.00 0.00 175.30 177.05 3g7z s MET 32 N -0.44 4.58 0.02 3.54 -2.45 -1.26 -0.83 119.30 122.46 3g7z s MET 32 Ca -0.00 1.30 -0.02 0.00 -1.25 0.00 0.00 55.69 55.71 3g7z s MET 32 Cb -0.04 -3.41 -0.01 0.00 1.25 0.00 0.00 34.83 32.62 3g7z s MET 32 CO -0.00 0.12 0.02 0.14 1.05 0.00 0.00 175.02 176.36 3g7z s VAL 33 N 0.41 0.11 -0.18 10.11 -7.23 0.21 -1.92 120.40 121.91 3g7z s VAL 33 Ca 0.46 -0.87 -0.05 0.00 -1.81 0.00 0.00 61.98 59.70 3g7z s VAL 33 Cb -0.21 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.33 3g7z s VAL 33 CO 0.27 -0.48 0.01 -0.63 -0.31 0.00 0.00 175.10 173.96 3g7z s ILE 34 N -1.54 4.22 0.62 -0.62 1.01 -0.29 -1.31 121.20 123.28 3g7z s ILE 34 Ca -0.15 -0.23 -0.16 0.00 0.00 0.00 0.00 60.65 60.11 3g7z s ILE 34 Cb -0.09 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 3g7z s ILE 34 CO -0.01 0.46 1.10 -2.84 0.00 0.00 0.00 174.94 173.65 3g7z s PRO 35 N 0.61 3.04 0.03 2.79 0.02 -1.26 0.10 135.00 140.33 3g7z s PRO 35 Ca 0.00 1.37 0.03 0.00 0.02 0.00 0.00 61.00 62.42 3g7z s PRO 35 Cb -0.14 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 3g7z s PRO 35 CO 0.02 -1.06 -0.04 -0.51 -0.33 0.00 0.00 177.00 175.08 3g7z s LEU 36 N -4.59 3.30 0.02 -5.54 1.43 0.12 -2.06 118.68 111.36 3g7z s LEU 36 Ca 0.67 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.67 3g7z s LEU 36 Cb -0.20 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 3g7z s LEU 36 CO 0.38 0.25 -0.13 0.00 0.23 0.00 0.00 176.35 177.08 3g7z s ALA 37 N -1.10 1.10 -0.23 4.21 0.00 -0.02 -4.52 121.76 121.20 3g7z s ALA 37 Ca 0.20 -0.69 -0.38 0.00 0.00 0.00 0.00 51.96 51.08 3g7z s ALA 37 Cb -0.11 -0.22 -0.14 0.00 0.00 0.00 0.00 23.12 22.65 3g7z s ALA 37 CO 0.11 0.23 1.81 0.45 0.00 0.00 0.00 175.76 178.36 3g7z n SER 38 N 2.30 2.69 -0.01 0.00 2.88 -1.26 0.14 113.62 120.36 3g7z n SER 38 Ca -0.16 1.02 0.23 0.00 -1.33 0.00 0.00 58.87 58.63 3g7z n SER 38 Cb 0.55 -1.21 0.71 0.00 -0.75 0.00 0.00 64.21 63.51 3g7z n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3g7z h ALA 39 N 8.05 2.38 0.00 -1.46 0.00 -1.52 0.16 119.26 126.86 3g7z h ALA 39 Ca -0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3g7z h ALA 39 Cb 1.31 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3g7z h ALA 39 CO 0.96 -0.88 -0.08 0.07 0.00 0.00 0.00 179.25 179.33 3g7z h ARG 40 N 0.00 0.00 0.00 0.00 -0.00 -1.86 -2.79 114.38 109.73 3g7z h ARG 40 Ca 0.28 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 60.22 3g7z h ARG 40 Cb 1.43 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.39 3g7z h ARG 40 CO -0.00 0.08 -0.21 -0.07 -0.00 0.00 0.00 179.97 179.77 3g7z h LEU 41 N 0.00 0.00 -9.04 0.08 3.38 -1.03 -3.43 115.31 105.27 3g7z h LEU 41 Ca -0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 3g7z h LEU 41 Cb 0.20 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.74 3g7z h LEU 41 CO 0.01 0.21 -0.76 -0.76 0.09 0.00 0.00 178.44 177.23 3g7z s LEU 42 N -6.72 2.84 1.00 1.67 1.02 -1.05 -5.12 118.68 112.31 3g7z s LEU 42 Ca 0.01 -0.28 -0.15 0.00 0.02 0.00 0.00 54.13 53.72 3g7z s LEU 42 Cb 0.10 -1.64 0.20 0.00 0.02 0.00 0.00 46.19 44.86 3g7z s LEU 42 CO 0.63 0.28 1.21 -0.94 0.02 0.00 0.00 176.35 177.55 3g7z s SER 43 N -1.31 2.77 0.00 2.29 1.04 -1.26 -4.96 113.70 112.27 3g7z s SER 43 Ca 0.15 0.60 0.18 0.00 0.48 0.00 0.00 55.95 57.35 3g7z s SER 43 Cb -0.11 -0.87 0.50 0.00 0.10 0.00 0.00 66.02 65.64 3g7z s SER 43 CO 0.05 -2.97 1.41 -0.90 0.98 0.00 0.00 173.24 171.81 3g7z n ASP 44 N -3.99 2.69 0.24 7.02 5.68 -1.26 -3.23 116.55 123.71 3g7z n ASP 44 Ca 0.12 -1.95 0.16 0.00 -0.50 0.00 0.00 54.79 52.62 3g7z n ASP 44 Cb 0.59 -0.30 0.82 0.00 -1.14 0.00 0.00 41.12 41.10 3g7z n ASP 44 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3g7z h LYS 45 N 3.10 0.00 -5.54 0.11 1.57 -2.05 -3.42 116.57 110.35 3g7z h LYS 45 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 3g7z h LYS 45 Cb 0.70 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.89 3g7z h LYS 45 CO 0.00 0.00 0.18 0.08 -0.57 0.00 0.00 179.45 179.14 3g7z s VAL 46 N -3.75 4.93 -0.36 0.50 1.01 -1.20 -4.98 120.40 116.56 3g7z s VAL 46 Ca -0.02 0.98 -0.45 0.00 0.00 0.00 0.00 61.98 62.49 3g7z s VAL 46 Cb 0.10 -4.00 -0.20 0.00 0.00 0.00 0.00 36.38 32.28 3g7z s VAL 46 CO 0.36 -0.10 1.46 -0.24 0.00 0.00 0.00 175.10 176.58 3g7z n SER 47 N 5.87 0.94 0.17 3.32 2.88 -1.26 -4.87 113.62 120.66 3g7z n SER 47 Ca -0.00 1.18 0.04 0.00 -1.33 0.00 0.00 58.87 58.76 3g7z n SER 47 Cb 0.49 -0.90 0.21 0.00 -0.75 0.00 0.00 64.21 63.25 3g7z n SER 47 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3g7z h ARG 48 N 4.55 0.00 -0.59 -1.46 3.08 -1.90 -0.56 114.38 117.50 3g7z h ARG 48 Ca -0.46 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.62 3g7z h ARG 48 Cb 1.38 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.39 3g7z h ARG 48 CO 0.89 0.44 0.36 0.93 -1.07 0.00 0.00 179.97 181.52 3g7z h GLU 49 N 0.00 0.68 0.09 0.04 5.08 -1.97 -2.83 114.58 115.67 3g7z h GLU 49 Ca -0.00 -0.04 -0.31 0.00 -1.00 0.00 0.00 59.36 58.00 3g7z h GLU 49 Cb 1.11 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 3g7z h GLU 49 CO 0.06 0.45 -1.65 1.25 -1.00 0.00 0.00 179.01 178.11 3g7z h LEU 50 N 0.70 0.31 -6.53 1.33 5.85 -1.87 -3.33 115.31 111.76 3g7z h LEU 50 Ca 0.24 -0.51 -0.60 0.00 0.84 0.00 0.00 57.88 57.85 3g7z h LEU 50 Cb 0.03 -0.10 -0.41 0.00 0.37 0.00 0.00 40.66 40.55 3g7z h LEU 50 CO -0.11 1.44 -0.69 -1.22 -0.34 0.00 0.00 178.44 177.52 3g7z n TYR 51 N -3.37 2.49 -1.66 1.25 4.01 -0.22 -4.40 117.16 115.25 3g7z n TYR 51 Ca -0.19 -4.05 -0.45 0.00 -0.16 0.00 0.00 57.90 53.05 3g7z n TYR 51 Cb 1.04 -0.46 -0.03 0.00 -0.31 0.00 0.00 39.34 39.58 3g7z n TYR 51 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3g7z n PRO 52 N 1.57 1.95 -2.98 -0.72 -0.02 -1.07 -4.40 135.00 129.32 3g7z n PRO 52 Ca 0.25 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 62.01 3g7z n PRO 52 Cb 0.41 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.48 3g7z n PRO 52 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3g7z s VAL 53 N 0.05 4.81 0.23 -1.45 1.01 -1.26 -1.15 120.40 122.63 3g7z s VAL 53 Ca 0.70 1.03 0.09 0.00 0.00 0.00 0.00 61.98 63.81 3g7z s VAL 53 Cb -0.68 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 31.53 3g7z s VAL 53 CO 0.48 -0.27 -0.07 0.68 0.00 0.00 0.00 175.10 175.92 3g7z s VAL 54 N 2.92 3.23 -0.05 2.92 -7.23 -0.51 -4.95 120.40 116.73 3g7z s VAL 54 Ca 0.30 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 58.66 3g7z s VAL 54 Cb -0.14 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 3g7z s VAL 54 CO 0.13 -0.26 -0.13 -1.00 -0.31 0.00 0.00 175.10 173.54 3g7z s HIS 55 N -2.06 2.75 -0.27 2.82 3.76 -1.26 -0.47 115.29 120.57 3g7z s HIS 55 Ca 0.28 -0.12 -0.01 0.00 -0.15 0.00 0.00 55.06 55.07 3g7z s HIS 55 Cb -0.07 -1.64 0.04 0.00 1.11 0.00 0.00 32.58 32.01 3g7z s HIS 55 CO 0.17 0.22 -0.05 0.42 -0.85 0.00 0.00 174.74 174.65 3g7z s ILE 56 N -0.76 2.79 0.00 0.60 1.01 -0.36 -4.98 121.20 119.50 3g7z s ILE 56 Ca 0.12 -1.24 0.00 0.00 0.00 0.00 0.00 60.65 59.53 3g7z s ILE 56 Cb -0.11 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.86 3g7z s ILE 56 CO 0.01 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.62 3g7z n GLY 57 N 4.62 3.34 0.56 6.18 0.00 -1.26 -1.58 105.19 117.05 3g7z n GLY 57 Ca -0.15 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 45.99 3g7z n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g7z n ASP 58 N 4.23 1.75 -4.86 1.61 8.00 -1.26 -4.90 116.55 121.12 3g7z n ASP 58 Ca 0.00 -1.59 -0.37 0.00 0.71 0.00 0.00 54.79 53.54 3g7z n ASP 58 Cb 0.00 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 3g7z n ASP 58 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3g7z s GLU 59 N -1.98 3.61 -0.12 -1.24 8.01 -0.62 -5.08 118.70 121.28 3g7z s GLU 59 Ca 0.36 -0.02 -0.06 0.00 0.01 0.00 0.00 54.97 55.26 3g7z s GLU 59 Cb 0.21 -3.22 -0.04 0.00 -4.31 0.00 0.00 34.13 26.77 3g7z s GLU 59 CO 0.33 0.72 0.11 -1.54 0.01 0.00 0.00 175.26 174.88 3g7z s SER 60 N -0.91 6.15 0.09 -0.19 1.04 -1.26 -1.23 113.70 117.39 3g7z s SER 60 Ca 0.16 0.38 0.05 0.00 0.48 0.00 0.00 55.95 57.03 3g7z s SER 60 Cb -0.13 -1.97 -0.03 0.00 0.10 0.00 0.00 66.02 63.99 3g7z s SER 60 CO 0.06 0.38 -0.14 0.26 0.98 0.00 0.00 173.24 174.78 3g7z s TRP 61 N -0.84 1.24 -0.19 5.02 0.52 0.39 -1.50 118.94 123.57 3g7z s TRP 61 Ca 0.14 -0.51 -0.09 0.00 0.02 0.00 0.00 56.10 55.67 3g7z s TRP 61 Cb -0.12 -0.68 -0.04 0.00 -1.15 0.00 0.00 33.47 31.48 3g7z s TRP 61 CO 0.03 0.07 0.09 1.03 0.02 0.00 0.00 176.95 178.19 3g7z s ARG 62 N -2.08 4.06 -0.49 4.98 1.81 0.38 -1.42 118.95 126.19 3g7z s ARG 62 Ca 0.01 -0.29 -0.28 0.00 -1.72 0.00 0.00 55.73 53.46 3g7z s ARG 62 Cb -0.08 -3.30 0.03 0.00 -0.45 0.00 0.00 34.95 31.15 3g7z s ARG 62 CO 0.02 0.29 1.07 -1.64 -0.68 0.00 0.00 175.30 174.37 3g7z s MET 63 N 0.34 3.63 -1.40 3.54 -1.94 -0.30 -0.84 119.30 122.33 3g7z s MET 63 Ca 0.05 0.39 -0.15 0.00 -1.71 0.00 0.00 55.69 54.28 3g7z s MET 63 Cb -0.12 -3.93 0.02 0.00 2.01 0.00 0.00 34.83 32.81 3g7z s MET 63 CO -0.01 -1.37 2.22 -1.33 -0.01 0.00 0.00 175.02 174.52 3g7z n MET 64 N 7.69 2.75 -0.31 2.03 0.00 -0.88 -4.10 117.12 124.32 3g7z n MET 64 Ca 0.10 -2.53 0.09 0.00 0.00 0.00 0.00 57.70 55.36 3g7z n MET 64 Cb 0.49 -3.25 0.25 0.00 0.00 0.00 0.00 33.22 30.72 3g7z n MET 64 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 3g7z h THR 65 N 4.02 0.68 0.00 2.03 2.02 -1.84 -0.16 112.91 119.66 3g7z h THR 65 Ca 0.56 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 67.47 3g7z h THR 65 Cb 0.63 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3g7z h THR 65 CO 1.89 0.11 -0.32 0.71 0.37 0.00 0.00 175.52 178.28 3g7z h THR 66 N 0.60 1.01 -0.43 3.16 1.35 -1.86 -2.34 112.91 114.41 3g7z h THR 66 Ca 0.50 -1.19 -0.14 0.00 -0.55 0.00 0.00 66.41 65.02 3g7z h THR 66 Cb 0.77 1.69 -0.08 0.00 -1.73 0.00 0.00 68.15 68.79 3g7z h THR 66 CO -0.40 0.31 0.18 -0.67 -0.25 0.00 0.00 175.52 174.70 3g7z n ASP 67 N -3.84 3.50 -4.73 5.36 -0.08 -0.08 -4.96 116.55 111.73 3g7z n ASP 67 Ca -0.01 -2.69 -0.31 0.00 -1.51 0.00 0.00 54.79 50.27 3g7z n ASP 67 Cb 0.40 -0.64 0.12 0.00 2.34 0.00 0.00 41.12 43.34 3g7z n ASP 67 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3g7z s MET 68 N -1.87 1.73 -0.20 -0.67 0.23 -0.88 -4.59 119.30 113.05 3g7z s MET 68 Ca 0.30 1.24 -0.30 0.00 -1.03 0.00 0.00 55.69 55.91 3g7z s MET 68 Cb 0.24 -1.83 0.15 0.00 -1.53 0.00 0.00 34.83 31.86 3g7z s MET 68 CO 0.07 -2.03 1.13 0.00 -2.03 0.00 0.00 175.02 172.16 3g7z s ALA 69 N -2.82 -2.00 0.25 3.16 0.00 -0.43 -5.00 121.76 114.92 3g7z s ALA 69 Ca 0.63 1.69 -0.23 0.00 0.00 0.00 0.00 51.96 54.05 3g7z s ALA 69 Cb -0.19 -0.95 -0.09 0.00 0.00 0.00 0.00 23.12 21.89 3g7z s ALA 69 CO 0.57 -0.30 0.81 -1.54 0.00 0.00 0.00 175.76 175.30 3g7z s SER 70 N -1.13 7.21 0.17 0.00 1.04 -1.26 -0.62 113.70 119.11 3g7z s SER 70 Ca 0.02 1.60 0.06 0.00 0.48 0.00 0.00 55.95 58.12 3g7z s SER 70 Cb -0.01 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.58 3g7z s SER 70 CO -0.02 0.02 -0.13 0.68 0.98 0.00 0.00 173.24 174.77 3g7z s VAL 71 N -1.50 1.49 0.38 5.02 -7.23 -0.01 -4.94 120.40 113.60 3g7z s VAL 71 Ca 0.44 -2.07 -0.26 0.00 -1.81 0.00 0.00 61.98 58.28 3g7z s VAL 71 Cb -0.18 -1.88 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 3g7z s VAL 71 CO 0.23 -0.60 1.22 -2.84 -0.31 0.00 0.00 175.10 172.79 3g7z s PRO 72 N -3.47 4.15 0.54 4.82 0.02 -1.26 -2.25 135.00 137.53 3g7z s PRO 72 Ca 0.18 1.97 0.24 0.00 0.02 0.00 0.00 61.00 63.41 3g7z s PRO 72 Cb -0.01 -2.82 1.30 0.00 0.02 0.00 0.00 34.50 33.00 3g7z s PRO 72 CO 0.04 -0.28 1.70 -0.39 -0.33 0.00 0.00 177.00 177.74 3g7z h VAL 73 N 2.56 0.00 0.00 3.83 -1.51 -0.91 -2.09 116.25 118.13 3g7z h VAL 73 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 3g7z h VAL 73 Cb 1.23 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 3g7z h VAL 73 CO 0.63 0.00 -0.28 0.77 -1.23 0.00 0.00 177.57 177.46 3g7z h SER 74 N 0.00 0.00 -0.43 4.19 4.64 -1.91 -3.11 113.55 116.93 3g7z h SER 74 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3g7z h SER 74 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3g7z h SER 74 CO 0.00 0.02 0.00 1.33 -0.87 0.00 0.00 176.83 177.31 3g7z n VAL 75 N -2.56 0.60 -3.31 0.95 0.24 -0.78 -4.89 118.33 108.57 3g7z n VAL 75 Ca 0.04 -0.80 -0.40 0.00 -2.04 0.00 0.00 64.34 61.13 3g7z n VAL 75 Cb 0.48 0.88 -0.08 0.00 -1.47 0.00 0.00 33.84 33.65 3g7z n VAL 75 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3g7z s ILE 76 N -1.34 5.10 0.00 1.34 1.01 -1.18 -0.17 121.20 125.97 3g7z s ILE 76 Ca 0.38 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.44 3g7z s ILE 76 Cb 0.22 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.84 3g7z s ILE 76 CO 0.30 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.80 3g7z n GLY 77 N 4.75 1.70 3.76 6.18 0.00 -0.29 -4.94 105.19 116.34 3g7z n GLY 77 Ca -0.07 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 3g7z n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g7z s GLU 78 N 3.74 4.47 0.08 1.61 0.41 -1.26 -4.47 118.70 123.29 3g7z s GLU 78 Ca 0.00 1.93 -0.30 0.00 -0.41 0.00 0.00 54.97 56.19 3g7z s GLU 78 Cb 0.00 -3.07 -0.06 0.00 -1.78 0.00 0.00 34.13 29.22 3g7z s GLU 78 CO 0.00 0.01 1.19 -2.00 -0.49 0.00 0.00 175.26 173.98 3g7z s GLU 79 N -1.69 4.45 0.00 1.61 2.12 -1.26 -2.18 118.70 121.74 3g7z s GLU 79 Ca 0.48 1.78 0.03 0.00 0.36 0.00 0.00 54.97 57.62 3g7z s GLU 79 Cb -0.34 -3.33 -0.01 0.00 0.26 0.00 0.00 34.13 30.71 3g7z s GLU 79 CO 0.44 -0.21 0.28 1.33 -0.54 0.00 0.00 175.26 176.55 3g7z n VAL 80 N 3.65 0.00 -3.74 3.70 0.24 -0.01 -4.99 118.33 117.18 3g7z n VAL 80 Ca 0.08 -0.46 -0.02 0.00 -2.04 0.00 0.00 64.34 61.90 3g7z n VAL 80 Cb 0.46 1.02 -0.01 0.00 -1.47 0.00 0.00 33.84 33.84 3g7z n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3g7z s ALA 81 N -0.92 -1.77 -0.04 2.33 0.00 -1.21 -4.98 121.76 115.17 3g7z s ALA 81 Ca 0.02 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.18 3g7z s ALA 81 Cb 0.02 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.76 3g7z s ALA 81 CO 0.09 -1.05 -0.01 0.34 0.00 0.00 0.00 175.76 175.12 3g7z s ASP 82 N -2.99 0.79 -0.17 0.00 3.68 -1.26 -1.27 116.67 115.44 3g7z s ASP 82 Ca 0.14 -0.07 0.15 0.00 2.13 0.00 0.00 52.55 54.90 3g7z s ASP 82 Cb -0.00 -0.33 0.36 0.00 -1.45 0.00 0.00 42.92 41.49 3g7z s ASP 82 CO 0.01 -0.10 1.19 0.18 0.13 0.00 0.00 175.17 176.58 3g7z n LEU 83 N 4.27 2.57 0.30 -1.34 4.77 0.50 -4.75 117.00 123.31 3g7z n LEU 83 Ca -0.23 -3.47 0.17 0.00 -0.03 0.00 0.00 56.01 52.45 3g7z n LEU 83 Cb 0.50 -0.48 0.84 0.00 -2.33 0.00 0.00 43.42 41.95 3g7z n LEU 83 CO 0.21 1.04 1.14 0.77 -1.33 0.00 0.00 177.39 179.21 3g7z h SER 84 N 0.50 0.00 -0.02 -1.43 4.64 -1.90 0.22 113.55 115.56 3g7z h SER 84 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g7z h SER 84 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3g7z h SER 84 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 3g7z n HIS 85 N -3.04 0.02 -1.32 4.77 1.44 -1.26 -2.81 115.22 113.02 3g7z n HIS 85 Ca -0.01 -0.01 0.08 0.00 -2.01 0.00 0.00 57.72 55.77 3g7z n HIS 85 Cb 0.38 0.00 0.14 0.00 0.12 0.00 0.00 29.99 30.63 3g7z n HIS 85 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3g7z n ARG 86 N -0.69 1.20 0.05 -1.40 5.12 0.77 -4.78 116.66 116.93 3g7z n ARG 86 Ca 0.18 -2.59 0.14 0.00 -1.93 0.00 0.00 57.85 53.64 3g7z n ARG 86 Cb 0.13 -1.40 0.61 0.00 -1.16 0.00 0.00 32.46 30.64 3g7z n ARG 86 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 3g7z h GLU 87 N 0.26 0.14 0.22 5.56 4.81 -1.60 -0.52 114.58 123.46 3g7z h GLU 87 Ca -0.01 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3g7z h GLU 87 Cb 1.06 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3g7z h GLU 87 CO 0.00 0.09 -0.11 -0.97 -0.73 0.00 0.00 179.01 177.30 3g7z h ASN 88 N 0.15 -0.25 -0.45 1.04 -1.24 -1.87 0.21 115.58 113.18 3g7z h ASN 88 Ca 0.18 -0.27 -0.01 0.00 0.71 0.00 0.00 56.30 56.92 3g7z h ASN 88 Cb 0.53 0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.63 3g7z h ASN 88 CO -0.02 0.19 0.25 0.44 -1.29 0.00 0.00 177.43 176.99 3g7z h ASP 89 N -0.75 0.55 -0.40 1.15 3.45 -1.89 0.56 116.42 119.09 3g7z h ASP 89 Ca -0.03 -0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.34 3g7z h ASP 89 Cb 0.50 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.11 3g7z h ASP 89 CO 0.05 0.47 0.21 0.40 -1.57 0.00 0.00 179.24 178.80 3g7z h ILE 90 N 0.59 1.16 -0.49 0.35 2.04 -1.14 -1.15 117.51 118.86 3g7z h ILE 90 Ca 0.16 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.49 3g7z h ILE 90 Cb 0.03 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3g7z h ILE 90 CO -0.03 0.17 -0.08 0.50 0.00 0.00 0.00 178.15 178.72 3g7z h LYS 91 N 0.52 0.92 -0.14 2.37 3.64 -0.76 -2.28 116.57 120.84 3g7z h LYS 91 Ca 0.14 -0.33 -0.04 0.00 -1.27 0.00 0.00 60.65 59.14 3g7z h LYS 91 Cb 0.08 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3g7z h LYS 91 CO -0.02 0.99 -0.12 -0.91 -2.27 0.00 0.00 179.45 177.12 3g7z h ASN 92 N 0.78 0.20 -0.19 4.20 2.35 -0.70 -2.01 115.58 120.20 3g7z h ASN 92 Ca 0.13 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 3g7z h ASN 92 Cb 0.62 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 3g7z h ASN 92 CO 0.04 0.35 -0.28 0.00 -1.65 0.00 0.00 177.43 175.89 3g7z h ALA 93 N 1.68 0.30 -0.70 -0.83 0.00 -0.85 -1.21 119.26 117.64 3g7z h ALA 93 Ca 0.04 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 3g7z h ALA 93 Cb 0.34 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3g7z h ALA 93 CO 0.02 0.30 0.16 0.82 0.00 0.00 0.00 179.25 180.55 3g7z h ILE 94 N 0.20 1.26 -0.10 0.00 2.04 -1.33 -2.67 117.51 116.91 3g7z h ILE 94 Ca 0.02 -0.98 -0.16 0.00 1.00 0.00 0.00 64.86 64.74 3g7z h ILE 94 Cb 0.86 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3g7z h ILE 94 CO 0.07 0.38 -0.63 0.78 0.00 0.00 0.00 178.15 178.75 3g7z h ASN 95 N 1.06 0.42 -0.83 1.72 2.35 -1.33 -2.72 115.58 116.24 3g7z h ASN 95 Ca 0.22 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3g7z h ASN 95 Cb 0.38 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 3g7z h ASN 95 CO 0.00 0.94 0.55 0.25 -1.65 0.00 0.00 177.43 177.52 3g7z h LEU 96 N 0.27 0.92 -0.67 1.61 5.85 -1.06 0.14 115.31 122.36 3g7z h LEU 96 Ca -0.01 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.56 3g7z h LEU 96 Cb 1.16 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 3g7z h LEU 96 CO 0.10 0.65 -0.41 -0.03 -0.34 0.00 0.00 178.44 178.41 3g7z h MET 97 N 1.08 0.56 0.06 1.25 4.05 -1.17 -2.44 114.93 118.31 3g7z h MET 97 Ca 0.32 -0.29 -0.37 0.00 -0.28 0.00 0.00 59.70 59.08 3g7z h MET 97 Cb -0.04 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.72 3g7z h MET 97 CO -0.08 0.87 -2.19 1.19 0.23 0.00 0.00 176.91 176.93 3g7z n PHE 98 N -4.02 0.65 -0.48 1.39 3.72 -1.08 -4.64 117.46 112.99 3g7z n PHE 98 Ca -0.02 0.15 0.05 0.00 -0.05 0.00 0.00 57.45 57.58 3g7z n PHE 98 Cb 0.52 -1.09 0.07 0.00 -0.94 0.00 0.00 39.48 38.05 3g7z n PHE 98 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 3g7z n TRP 99 N -3.29 0.06 -4.67 1.38 5.03 0.46 -5.10 117.44 111.29 3g7z n TRP 99 Ca -0.36 -0.72 0.00 0.00 3.03 0.00 0.00 57.50 59.45 3g7z n TRP 99 Cb 1.04 -0.10 0.00 0.00 -1.03 0.00 0.00 31.31 31.22 3g7z n TRP 99 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3g7z n GLY 100 N -0.84 0.94 0.60 6.99 0.00 -0.92 -4.94 105.19 107.02 3g7z n GLY 100 Ca 0.08 -0.80 0.14 0.00 0.00 0.00 0.00 46.02 45.43 3g7z n GLY 100 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61