#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3goe n HIS 2 N 0.00 1.28 -3.65 4.41 -0.00 -1.26 -2.72 115.22 113.28 3goe n HIS 2 Ca 0.00 0.75 -0.23 0.00 0.46 0.00 0.00 57.72 58.70 3goe n HIS 2 Cb 0.00 -2.27 0.06 0.00 -0.12 0.00 0.00 29.99 27.66 3goe n HIS 2 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 3goe n HIS 3 N 2.28 -2.33 -2.66 1.57 -0.00 -1.26 -4.93 115.22 107.89 3goe n HIS 3 Ca 0.19 0.93 -0.30 0.00 -0.00 0.00 0.00 57.72 58.54 3goe n HIS 3 Cb 0.16 -4.65 -0.02 0.00 -0.00 0.00 0.00 29.99 25.48 3goe n HIS 3 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 3goe s HIS 4 N -3.42 3.51 -1.92 1.57 -0.00 -1.10 -5.00 115.29 108.93 3goe s HIS 4 Ca 0.31 1.03 0.16 0.00 -0.00 0.00 0.00 55.06 56.56 3goe s HIS 4 Cb -0.14 -2.45 0.11 0.00 -0.00 0.00 0.00 32.58 30.09 3goe s HIS 4 CO 0.77 -0.23 0.98 0.72 -0.00 0.00 0.00 174.74 176.98 3goe n HIS 5 N -1.73 0.00 -1.73 0.38 8.25 -1.26 -5.02 115.22 114.11 3goe n HIS 5 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 3goe n HIS 5 Cb 0.54 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.63 3goe n HIS 5 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3goe n HIS 6 N 0.74 2.79 -0.07 4.41 -0.00 -1.26 -4.92 115.22 116.91 3goe n HIS 6 Ca 0.09 0.18 -0.05 0.00 -0.00 0.00 0.00 57.72 57.93 3goe n HIS 6 Cb 0.39 -2.62 -0.12 0.00 -0.00 0.00 0.00 29.99 27.64 3goe n HIS 6 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3goe n LYS 7 N 2.87 1.36 -4.17 -0.41 4.76 -1.26 -4.98 118.16 116.32 3goe n LYS 7 Ca 0.12 -0.03 -0.32 0.00 -2.87 0.00 0.00 58.31 55.21 3goe n LYS 7 Cb 0.36 -1.39 -0.08 0.00 -1.84 0.00 0.00 35.03 32.08 3goe n LYS 7 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3goe s LEU 8 N -4.98 3.67 0.13 -0.35 1.43 -1.26 -0.85 118.68 116.46 3goe s LEU 8 Ca -0.07 0.02 0.09 0.00 -1.03 0.00 0.00 54.13 53.13 3goe s LEU 8 Cb 0.05 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 3goe s LEU 8 CO 0.63 0.25 -0.21 0.27 0.23 0.00 0.00 176.35 177.52 3goe s ILE 9 N -1.19 1.89 -0.10 -0.59 -4.36 -0.64 -4.93 121.20 111.28 3goe s ILE 9 Ca 0.23 -1.72 -0.16 0.00 -0.26 0.00 0.00 60.65 58.73 3goe s ILE 9 Cb -0.12 -1.76 -0.05 0.00 1.25 0.00 0.00 42.46 41.79 3goe s ILE 9 CO 0.14 -0.11 0.41 -0.89 0.24 0.00 0.00 174.94 174.73 3goe s THR 10 N -1.43 5.18 0.01 8.37 2.01 -1.26 -1.03 115.64 127.50 3goe s THR 10 Ca 0.11 0.81 0.05 0.00 0.31 0.00 0.00 61.69 62.97 3goe s THR 10 Cb -0.09 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 3goe s THR 10 CO 0.06 0.41 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.49 3goe s LEU 11 N 0.14 2.10 -0.29 4.42 1.43 -0.00 0.10 118.68 126.58 3goe s LEU 11 Ca 0.23 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.84 3goe s LEU 11 Cb -0.15 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 3goe s LEU 11 CO 0.09 0.11 0.25 -0.22 0.23 0.00 0.00 176.35 176.82 3goe s LEU 12 N -0.74 4.09 -0.37 1.79 2.96 -0.56 -1.20 118.68 124.65 3goe s LEU 12 Ca 0.04 0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 53.86 3goe s LEU 12 Cb -0.07 -2.22 0.02 0.00 0.50 0.00 0.00 46.19 44.43 3goe s LEU 12 CO 0.00 -0.12 0.22 -0.76 -1.32 0.00 0.00 176.35 174.37 3goe s LEU 13 N 1.86 4.73 -0.06 -0.68 1.02 0.24 -0.92 118.68 124.87 3goe s LEU 13 Ca 0.09 -0.93 -0.12 0.00 0.02 0.00 0.00 54.13 53.20 3goe s LEU 13 Cb -0.16 -2.05 -0.05 0.00 0.02 0.00 0.00 46.19 43.95 3goe s LEU 13 CO 0.11 -0.38 0.29 -0.13 0.02 0.00 0.00 176.35 176.26 3goe s ARG 14 N 1.58 3.75 -0.02 1.70 0.52 -0.28 -0.89 118.95 125.30 3goe s ARG 14 Ca 0.03 0.17 -0.00 0.00 -0.52 0.00 0.00 55.73 55.41 3goe s ARG 14 Cb -0.19 -3.22 0.03 0.00 0.52 0.00 0.00 34.95 32.09 3goe s ARG 14 CO 0.07 0.69 0.03 0.45 0.02 0.00 0.00 175.30 176.57 3goe s SER 15 N -0.95 0.16 0.45 0.23 0.15 -1.26 -0.34 113.70 112.14 3goe s SER 15 Ca 0.20 0.04 0.25 0.00 0.70 0.00 0.00 55.95 57.13 3goe s SER 15 Cb -0.15 -0.08 0.59 0.00 -1.71 0.00 0.00 66.02 64.67 3goe s SER 15 CO 0.09 -0.14 1.69 0.77 1.20 0.00 0.00 173.24 176.86 3goe h SER 16 N 7.37 0.00 -0.09 5.45 4.64 -1.99 -3.29 113.55 125.65 3goe h SER 16 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3goe h SER 16 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3goe h SER 16 CO 0.46 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.78 3goe n LYS 17 N -3.13 1.18 -3.96 4.77 5.02 -1.26 -5.05 118.16 115.72 3goe n LYS 17 Ca 0.03 -1.29 -0.12 0.00 -2.02 0.00 0.00 58.31 54.91 3goe n LYS 17 Cb 0.49 -1.14 -0.02 0.00 -0.02 0.00 0.00 35.03 34.35 3goe n LYS 17 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3goe s SER 18 N -0.74 0.42 0.12 4.39 1.04 -1.24 -5.13 113.70 112.56 3goe s SER 18 Ca 0.10 -1.27 -0.31 0.00 0.48 0.00 0.00 55.95 54.96 3goe s SER 18 Cb 0.06 0.73 -0.09 0.00 0.10 0.00 0.00 66.02 66.83 3goe s SER 18 CO 0.09 -1.44 1.52 -0.70 0.98 0.00 0.00 173.24 173.68 3goe s GLU 19 N -2.89 4.25 0.68 4.02 2.12 -1.26 -4.30 118.70 121.32 3goe s GLU 19 Ca 0.23 2.24 -0.15 0.00 0.36 0.00 0.00 54.97 57.65 3goe s GLU 19 Cb -0.02 -3.28 0.01 0.00 0.26 0.00 0.00 34.13 31.10 3goe s GLU 19 CO 0.15 -0.57 1.13 -0.51 -0.54 0.00 0.00 175.26 174.92 3goe s ASP 20 N 1.38 4.84 -0.14 -1.70 1.01 -1.26 -4.70 116.67 116.10 3goe s ASP 20 Ca 0.69 2.09 -0.10 0.00 0.71 0.00 0.00 52.55 55.94 3goe s ASP 20 Cb -0.40 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.01 3goe s ASP 20 CO 0.31 -1.82 0.35 -0.22 0.21 0.00 0.00 175.17 174.01 3goe s LEU 21 N -4.98 0.32 -0.26 1.23 2.96 -0.07 -5.02 118.68 112.87 3goe s LEU 21 Ca 0.69 0.74 -0.13 0.00 -0.22 0.00 0.00 54.13 55.21 3goe s LEU 21 Cb -0.23 1.17 -0.04 0.00 0.50 0.00 0.00 46.19 47.59 3goe s LEU 21 CO 0.43 -0.16 0.27 -0.60 -1.32 0.00 0.00 176.35 174.97 3goe s ARG 22 N 0.85 4.03 0.09 1.98 3.52 -1.26 -0.60 118.95 127.56 3goe s ARG 22 Ca -0.05 -0.12 0.09 0.00 -0.13 0.00 0.00 55.73 55.51 3goe s ARG 22 Cb -0.06 -3.61 -0.03 0.00 -1.56 0.00 0.00 34.95 29.68 3goe s ARG 22 CO -0.06 -0.14 -0.23 -0.51 -0.81 0.00 0.00 175.30 173.55 3goe s LEU 23 N 1.64 2.26 -0.30 -0.88 1.02 -0.34 -4.97 118.68 117.11 3goe s LEU 23 Ca 0.11 -0.65 -0.01 0.00 0.02 0.00 0.00 54.13 53.60 3goe s LEU 23 Cb -0.15 -1.03 0.06 0.00 0.02 0.00 0.00 46.19 45.09 3goe s LEU 23 CO 0.09 0.13 -0.01 -0.94 0.02 0.00 0.00 176.35 175.64 3goe s SER 24 N -1.71 4.82 -0.04 2.29 1.04 -1.26 -0.82 113.70 118.01 3goe s SER 24 Ca 0.09 -1.39 0.04 0.00 0.48 0.00 0.00 55.95 55.17 3goe s SER 24 Cb -0.10 -1.68 -0.03 0.00 0.10 0.00 0.00 66.02 64.31 3goe s SER 24 CO 0.04 -0.27 -0.13 -0.51 0.98 0.00 0.00 173.24 173.35 3goe s ILE 25 N 1.20 3.14 0.30 -1.02 1.10 -0.20 -4.89 121.20 120.83 3goe s ILE 25 Ca -0.04 -0.73 -0.29 0.00 -0.51 0.00 0.00 60.65 59.08 3goe s ILE 25 Cb -0.20 -2.25 -0.10 0.00 0.15 0.00 0.00 42.46 40.06 3goe s ILE 25 CO -0.02 0.57 1.40 -2.84 -2.11 0.00 0.00 174.94 171.93 3goe s PRO 26 N -0.82 4.28 0.02 3.50 0.02 -1.26 -1.62 135.00 139.12 3goe s PRO 26 Ca 0.12 2.31 0.20 0.00 0.02 0.00 0.00 61.00 63.65 3goe s PRO 26 Cb -0.11 -3.07 0.83 0.00 0.02 0.00 0.00 34.50 32.17 3goe s PRO 26 CO 0.01 -0.35 1.63 1.33 -0.33 0.00 0.00 177.00 179.29 3goe n VAL 27 N 1.47 0.69 1.33 3.83 0.24 -0.03 -1.49 118.33 124.37 3goe n VAL 27 Ca 0.03 0.16 0.14 0.00 -2.04 0.00 0.00 64.34 62.63 3goe n VAL 27 Cb 0.41 -0.86 0.56 0.00 -1.47 0.00 0.00 33.84 32.48 3goe n VAL 27 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3goe n ASP 28 N -1.58 0.51 -4.75 -1.34 5.75 -1.26 -0.82 116.55 113.06 3goe n ASP 28 Ca 0.04 -0.53 -0.35 0.00 -0.01 0.00 0.00 54.79 53.95 3goe n ASP 28 Cb 0.23 -0.05 0.04 0.00 -1.03 0.00 0.00 41.12 40.31 3goe n ASP 28 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3goe s PHE 29 N -2.54 2.39 0.75 2.11 0.40 -0.55 -4.76 117.98 115.77 3goe s PHE 29 Ca 0.26 1.54 -0.12 0.00 -0.60 0.00 0.00 56.93 58.01 3goe s PHE 29 Cb 0.20 -3.42 0.04 0.00 0.51 0.00 0.00 43.02 40.35 3goe s PHE 29 CO 0.50 -2.15 1.11 0.95 0.70 0.00 0.00 175.22 176.33 3goe s THR 30 N -1.78 3.08 0.26 0.64 -4.23 -1.26 -0.43 115.64 111.92 3goe s THR 30 Ca 0.75 0.35 -0.04 0.00 -1.18 0.00 0.00 61.69 61.58 3goe s THR 30 Cb -0.28 -3.30 0.25 0.00 1.34 0.00 0.00 72.50 70.51 3goe s THR 30 CO 0.36 -0.46 1.87 0.58 -0.54 0.00 0.00 174.62 176.43 3goe h VAL 31 N -0.83 1.08 -0.71 2.29 2.07 -1.04 -0.67 116.25 118.43 3goe h VAL 31 Ca -0.46 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3goe h VAL 31 Cb 1.27 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3goe h VAL 31 CO 0.63 0.20 0.41 0.50 0.02 0.00 0.00 177.57 179.34 3goe h LYS 32 N 1.11 0.98 -0.48 1.57 3.64 -1.36 -0.78 116.57 121.25 3goe h LYS 32 Ca 0.41 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.72 3goe h LYS 32 Cb 0.16 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 3goe h LYS 32 CO -0.17 0.71 0.25 -0.44 -2.27 0.00 0.00 179.45 177.54 3goe h ASP 33 N 0.98 0.38 -0.67 4.20 3.32 -1.65 0.35 116.42 123.33 3goe h ASP 33 Ca 0.25 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.38 3goe h ASP 33 Cb -0.00 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 3goe h ASP 33 CO -0.04 0.27 0.38 0.25 -1.72 0.00 0.00 179.24 178.38 3goe h LEU 34 N 0.50 0.58 -0.41 1.55 5.85 -0.51 -0.13 115.31 122.74 3goe h LEU 34 Ca 0.20 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3goe h LEU 34 Cb 0.08 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3goe h LEU 34 CO -0.13 0.38 0.17 0.40 -0.34 0.00 0.00 178.44 178.92 3goe h ILE 35 N 0.71 1.19 -0.73 4.05 2.04 -0.53 -0.07 117.51 124.18 3goe h ILE 35 Ca 0.29 -0.58 0.04 0.00 1.00 0.00 0.00 64.86 65.62 3goe h ILE 35 Cb 0.16 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 3goe h ILE 35 CO -0.17 0.21 0.44 0.11 0.00 0.00 0.00 178.15 178.75 3goe h LYS 36 N 0.52 0.81 -0.33 2.37 1.57 -0.51 -0.30 116.57 120.71 3goe h LYS 36 Ca 0.14 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 3goe h LYS 36 Cb 0.17 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3goe h LYS 36 CO -0.01 0.54 -0.11 -0.09 -0.57 0.00 0.00 179.45 179.20 3goe h ARG 37 N 0.84 0.66 -0.52 3.15 9.65 -0.82 -1.77 114.38 125.56 3goe h ARG 37 Ca 0.31 -0.27 0.10 0.00 -1.10 0.00 0.00 59.98 59.02 3goe h ARG 37 Cb 0.10 -0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 28.56 3goe h ARG 37 CO -0.14 0.85 0.04 -0.92 2.80 0.00 0.00 179.97 182.59 3goe h TYR 38 N 0.43 0.03 -0.55 2.20 3.20 -0.67 -1.06 116.97 120.55 3goe h TYR 38 Ca 0.08 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 3goe h TYR 38 Cb 0.62 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 3goe h TYR 38 CO 0.05 -0.09 0.16 0.00 -1.64 0.00 0.00 178.16 176.65 3goe h THR 40 N 0.78 1.33 -0.22 0.00 1.35 -1.08 0.10 112.91 115.18 3goe h THR 40 Ca 0.18 -1.61 -0.18 0.00 -0.55 0.00 0.00 66.41 64.25 3goe h THR 40 Cb 0.31 1.81 -0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3goe h THR 40 CO -0.00 0.47 -0.59 -0.33 -0.25 0.00 0.00 175.52 174.81 3goe h GLU 41 N 0.09 0.72 -0.02 4.72 4.39 -0.67 -3.21 114.58 120.60 3goe h GLU 41 Ca 0.00 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3goe h GLU 41 Cb 0.85 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 3goe h GLU 41 CO 0.06 1.10 -0.28 1.33 -1.16 0.00 0.00 179.01 180.07 3goe n VAL 42 N -3.97 0.00 -3.12 3.13 0.24 -0.44 -4.98 118.33 109.19 3goe n VAL 42 Ca -0.04 -0.32 -0.14 0.00 -2.04 0.00 0.00 64.34 61.80 3goe n VAL 42 Cb 0.64 1.18 0.05 0.00 -1.47 0.00 0.00 33.84 34.24 3goe n VAL 42 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3goe n LYS 43 N 0.34 -4.59 -4.10 7.34 5.02 0.26 -4.96 118.16 117.46 3goe n LYS 43 Ca 0.12 0.48 -0.22 0.00 -2.02 0.00 0.00 58.31 56.67 3goe n LYS 43 Cb 0.49 -4.46 -0.04 0.00 -0.02 0.00 0.00 35.03 31.00 3goe n LYS 43 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3goe s ILE 44 N -3.19 4.55 -0.02 -0.18 -4.36 -0.66 -5.03 121.20 112.32 3goe s ILE 44 Ca 0.32 -1.35 -0.30 0.00 -0.26 0.00 0.00 60.65 59.06 3goe s ILE 44 Cb -0.14 -3.46 -0.03 0.00 1.25 0.00 0.00 42.46 40.08 3goe s ILE 44 CO 0.42 -0.35 1.00 -0.44 0.24 0.00 0.00 174.94 175.82 3goe s SER 45 N -3.85 7.32 0.31 4.36 0.01 -1.26 -4.45 113.70 116.14 3goe s SER 45 Ca 0.33 1.66 -0.29 0.00 1.31 0.00 0.00 55.95 58.95 3goe s SER 45 Cb -0.08 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.48 3goe s SER 45 CO 0.25 -0.32 1.32 0.12 0.41 0.00 0.00 173.24 175.03 3goe s PHE 46 N 1.24 3.07 0.10 2.43 2.19 -1.26 -5.02 117.98 120.74 3goe s PHE 46 Ca 0.52 1.35 -0.16 0.00 0.33 0.00 0.00 56.93 58.96 3goe s PHE 46 Cb -0.21 -3.69 0.03 0.00 -1.31 0.00 0.00 43.02 37.85 3goe s PHE 46 CO 0.26 -1.95 0.39 -3.38 1.83 0.00 0.00 175.22 172.37 3goe s HIS 47 N -0.85 -0.20 0.61 10.12 -3.43 -1.26 -5.05 115.29 115.22 3goe s HIS 47 Ca 0.51 -0.06 0.34 0.00 -0.80 0.00 0.00 55.06 55.06 3goe s HIS 47 Cb -0.40 0.23 2.00 0.00 -1.43 0.00 0.00 32.58 32.98 3goe s HIS 47 CO 0.50 -0.66 2.29 1.05 -2.00 0.00 0.00 174.74 175.92 3goe h GLU 48 N 2.56 0.00 0.00 -0.38 4.11 -2.00 -2.46 114.58 116.41 3goe h GLU 48 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 3goe h GLU 48 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3goe h GLU 48 CO 0.47 0.00 -0.34 0.54 0.07 0.00 0.00 179.01 179.75 3goe n ARG 49 N -3.61 0.08 -2.17 1.06 1.74 -1.26 -4.83 116.66 107.67 3goe n ARG 49 Ca -0.03 0.04 -0.41 0.00 -0.77 0.00 0.00 57.85 56.68 3goe n ARG 49 Cb 0.08 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 29.93 3goe n ARG 49 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3goe s ILE 50 N -3.04 3.02 0.13 0.55 1.01 -0.93 -4.83 121.20 117.11 3goe s ILE 50 Ca 0.11 0.89 0.06 0.00 0.00 0.00 0.00 60.65 61.71 3goe s ILE 50 Cb 0.17 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 3goe s ILE 50 CO 0.65 0.16 -0.14 -0.13 0.00 0.00 0.00 174.94 175.47 3goe s ARG 51 N -0.58 1.04 -0.13 2.79 0.52 -0.60 -5.00 118.95 116.99 3goe s ARG 51 Ca 0.55 -1.26 -0.02 0.00 -0.52 0.00 0.00 55.73 54.48 3goe s ARG 51 Cb -0.38 -0.93 -0.03 0.00 0.52 0.00 0.00 34.95 34.13 3goe s ARG 51 CO 0.42 0.18 -0.06 -0.51 0.02 0.00 0.00 175.30 175.35 3goe s LEU 52 N -2.48 3.14 -0.12 2.53 1.43 -1.26 -0.61 118.68 121.30 3goe s LEU 52 Ca 0.10 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 3goe s LEU 52 Cb -0.05 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 3goe s LEU 52 CO 0.03 0.20 -0.07 -0.70 0.23 0.00 0.00 176.35 176.05 3goe s GLU 53 N 0.14 3.32 -0.15 1.70 2.12 0.04 -1.06 118.70 124.81 3goe s GLU 53 Ca -0.03 -0.57 -0.00 0.00 0.36 0.00 0.00 54.97 54.74 3goe s GLU 53 Cb -0.14 -2.75 0.03 0.00 0.26 0.00 0.00 34.13 31.54 3goe s GLU 53 CO 0.03 0.37 -0.08 0.12 -0.54 0.00 0.00 175.26 175.16 3goe s PHE 54 N -0.01 1.84 -1.55 5.30 5.36 0.27 -1.01 117.98 128.18 3goe s PHE 54 Ca -0.01 -1.10 -0.13 0.00 -0.96 0.00 0.00 56.93 54.73 3goe s PHE 54 Cb -0.14 -1.40 0.09 0.00 -0.34 0.00 0.00 43.02 41.24 3goe s PHE 54 CO 0.03 -0.62 0.90 0.39 -1.46 0.00 0.00 175.22 174.46 3goe n GLU 55 N 4.84 -4.89 -0.61 10.12 1.02 -1.26 -1.18 120.64 128.68 3goe n GLU 55 Ca -0.13 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 3goe n GLU 55 Cb 0.49 -5.34 0.00 0.00 -0.02 0.00 0.00 31.44 26.57 3goe n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3goe n GLY 56 N -1.64 0.79 3.16 0.62 0.00 -1.26 -5.02 105.19 101.84 3goe n GLY 56 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 3goe n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3goe s GLU 57 N -0.39 1.50 0.06 1.61 2.02 -0.33 -5.11 118.70 118.06 3goe s GLU 57 Ca 0.00 -0.63 -0.31 0.00 0.02 0.00 0.00 54.97 54.05 3goe s GLU 57 Cb 0.00 -1.42 -0.06 0.00 0.10 0.00 0.00 34.13 32.75 3goe s GLU 57 CO 0.00 0.36 1.24 -1.58 0.02 0.00 0.00 175.26 175.30 3goe s TRP 58 N -0.34 3.36 0.21 1.61 0.23 -1.26 -0.57 118.94 122.19 3goe s TRP 58 Ca 0.05 1.21 -0.30 0.00 -2.03 0.00 0.00 56.10 55.03 3goe s TRP 58 Cb -0.08 -3.47 -0.08 0.00 0.03 0.00 0.00 33.47 29.87 3goe s TRP 58 CO -0.00 -1.52 0.97 -0.51 0.96 0.00 0.00 176.95 176.85 3goe s LEU 59 N 1.21 4.60 -0.13 2.99 1.43 -0.22 -4.94 118.68 123.63 3goe s LEU 59 Ca 0.60 1.95 -0.29 0.00 -1.03 0.00 0.00 54.13 55.35 3goe s LEU 59 Cb -0.30 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.28 3goe s LEU 59 CO 0.29 0.07 1.39 -0.62 0.23 0.00 0.00 176.35 177.70 3goe s ASP 60 N -0.85 6.86 0.59 2.29 -1.08 -1.26 -4.70 116.67 118.52 3goe s ASP 60 Ca 0.43 1.87 0.30 0.00 -0.52 0.00 0.00 52.55 54.63 3goe s ASP 60 Cb -0.26 -2.54 1.80 0.00 -1.46 0.00 0.00 42.92 40.47 3goe s ASP 60 CO 0.32 -0.81 2.22 1.55 0.52 0.00 0.00 175.17 178.97 3goe h PRO 61 N 8.61 0.00 -0.01 4.34 0.13 -1.94 -1.96 132.00 141.16 3goe h PRO 61 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3goe h PRO 61 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3goe h PRO 61 CO 0.96 0.00 -0.16 0.09 -0.23 0.00 0.00 178.00 178.66 3goe n ASN 62 N -3.80 1.27 -4.77 1.44 3.02 -1.26 -1.04 115.26 110.13 3goe n ASN 62 Ca -0.02 -1.16 -0.39 0.00 -0.03 0.00 0.00 54.58 52.98 3goe n ASN 62 Cb 0.15 0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.35 3goe n ASN 62 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3goe s ASP 63 N -2.30 7.46 0.52 6.41 1.01 -0.74 -4.87 116.67 124.16 3goe s ASP 63 Ca 0.29 1.76 -0.22 0.00 0.71 0.00 0.00 52.55 55.09 3goe s ASP 63 Cb 0.20 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.53 3goe s ASP 63 CO 0.45 0.16 1.31 -1.10 0.21 0.00 0.00 175.17 176.20 3goe s GLN 64 N -1.29 3.34 0.25 8.23 -0.21 -1.26 -0.96 119.66 127.76 3goe s GLN 64 Ca 0.39 2.13 -0.03 0.00 0.02 0.00 0.00 55.36 57.87 3goe s GLN 64 Cb -0.23 -2.33 0.43 0.00 1.00 0.00 0.00 33.01 31.88 3goe s GLN 64 CO 0.28 -1.00 1.81 0.28 -2.12 0.00 0.00 175.29 174.54 3goe h VAL 65 N 1.62 0.88 -0.03 1.09 2.07 -0.63 0.34 116.25 121.60 3goe h VAL 65 Ca -0.50 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 66.75 3goe h VAL 65 Cb 1.28 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3goe h VAL 65 CO 0.58 0.14 0.05 0.06 0.02 0.00 0.00 177.57 178.43 3goe h GLN 66 N 0.79 0.00 0.00 1.57 3.07 -1.23 -2.03 115.11 117.27 3goe h GLN 66 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.16 3goe h GLN 66 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.98 3goe h GLN 66 CO -0.27 0.00 -0.45 0.77 0.09 0.00 0.00 178.83 178.98 3goe h SER 67 N 0.00 0.00 -3.55 0.06 0.02 -1.21 -3.46 113.55 105.41 3goe h SER 67 Ca 0.02 -0.06 -0.45 0.00 -0.84 0.00 0.00 61.79 60.45 3goe h SER 67 Cb 0.12 0.00 0.16 0.00 0.14 0.00 0.00 62.40 62.81 3goe h SER 67 CO -0.00 0.03 0.36 0.42 -1.14 0.00 0.00 176.83 176.51 3goe s THR 68 N -3.22 2.01 -2.25 -2.27 -4.23 -0.76 -4.99 115.64 99.93 3goe s THR 68 Ca 0.05 -0.12 0.27 0.00 -1.18 0.00 0.00 61.69 60.71 3goe s THR 68 Cb 0.10 -2.89 0.63 0.00 1.34 0.00 0.00 72.50 71.69 3goe s THR 68 CO 0.70 0.00 1.84 -0.62 -0.54 0.00 0.00 174.62 176.01 3goe n GLU 69 N -3.64 1.40 -1.78 3.99 -0.58 -1.26 -4.94 120.64 113.83 3goe n GLU 69 Ca 0.16 -0.58 -0.41 0.00 -0.42 0.00 0.00 57.16 55.92 3goe n GLU 69 Cb 0.59 -1.44 0.01 0.00 -0.57 0.00 0.00 31.44 30.03 3goe n GLU 69 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3goe s LEU 70 N -1.86 4.23 0.24 -4.62 1.43 -1.26 -5.02 118.68 111.82 3goe s LEU 70 Ca 0.38 3.03 0.02 0.00 -1.03 0.00 0.00 54.13 56.54 3goe s LEU 70 Cb 0.19 -3.77 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 3goe s LEU 70 CO 0.32 -1.01 0.04 -1.61 0.23 0.00 0.00 176.35 174.31 3goe s GLU 71 N -2.25 1.34 0.22 1.70 2.02 -1.26 -4.94 118.70 115.54 3goe s GLU 71 Ca 0.56 -1.70 -0.32 0.00 0.02 0.00 0.00 54.97 53.53 3goe s GLU 71 Cb -0.46 -0.44 -0.14 0.00 0.10 0.00 0.00 34.13 33.19 3goe s GLU 71 CO 0.61 -0.18 1.42 -3.47 0.02 0.00 0.00 175.26 173.66 3goe n ASP 72 N -0.42 2.71 -0.06 -0.19 4.64 -1.26 -1.59 116.55 120.38 3goe n ASP 72 Ca -0.03 1.13 -0.01 0.00 -1.38 0.00 0.00 54.79 54.50 3goe n ASP 72 Cb 0.65 -1.41 -0.00 0.00 -1.04 0.00 0.00 41.12 39.31 3goe n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3goe n GLU 73 N 2.24 -0.53 -1.28 -0.67 -0.58 0.12 -4.94 120.64 114.99 3goe n GLU 73 Ca 0.13 0.21 -0.30 0.00 -0.42 0.00 0.00 57.16 56.78 3goe n GLU 73 Cb 0.30 -3.67 0.11 0.00 -0.57 0.00 0.00 31.44 27.62 3goe n GLU 73 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3goe s ASP 74 N -2.13 4.11 0.03 1.62 1.01 -0.62 -4.78 116.67 115.92 3goe s ASP 74 Ca 0.00 1.61 0.07 0.00 0.71 0.00 0.00 52.55 54.94 3goe s ASP 74 Cb 0.00 -2.32 -0.02 0.00 1.01 0.00 0.00 42.92 41.59 3goe s ASP 74 CO 0.00 -2.26 -0.20 0.00 0.21 0.00 0.00 175.17 172.92 3goe s GLN 75 N -4.95 1.42 0.12 8.23 -2.07 -1.26 -1.49 119.66 119.66 3goe s GLN 75 Ca 0.62 -0.90 0.03 0.00 -1.82 0.00 0.00 55.36 53.29 3goe s GLN 75 Cb -0.17 -1.50 -0.04 0.00 -1.09 0.00 0.00 33.01 30.21 3goe s GLN 75 CO 0.56 0.39 -0.09 0.14 -1.32 0.00 0.00 175.29 174.97 3goe s VAL 76 N -0.75 0.95 -0.17 3.63 -7.23 -0.09 -4.72 120.40 112.02 3goe s VAL 76 Ca 0.07 -1.93 -0.07 0.00 -1.81 0.00 0.00 61.98 58.25 3goe s VAL 76 Cb -0.09 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 3goe s VAL 76 CO 0.01 -0.75 0.05 -0.44 -0.31 0.00 0.00 175.10 173.66 3goe s SER 77 N -2.97 5.57 -0.18 4.85 0.01 -0.18 -1.13 113.70 119.66 3goe s SER 77 Ca 0.13 0.08 -0.20 0.00 1.31 0.00 0.00 55.95 57.27 3goe s SER 77 Cb 0.02 -1.93 -0.03 0.00 0.21 0.00 0.00 66.02 64.30 3goe s SER 77 CO -0.01 0.19 0.58 -0.69 0.41 0.00 0.00 173.24 173.72 3goe s VAL 78 N 0.24 5.07 -0.24 3.43 1.01 0.53 -0.78 120.40 129.66 3goe s VAL 78 Ca 0.03 1.10 -0.02 0.00 0.00 0.00 0.00 61.98 63.09 3goe s VAL 78 Cb -0.12 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.38 3goe s VAL 78 CO 0.01 0.16 -0.07 -0.69 0.00 0.00 0.00 175.10 174.51 3goe s VAL 79 N 1.61 2.87 -2.45 2.92 1.01 0.22 -4.34 120.40 122.24 3goe s VAL 79 Ca 0.27 -0.98 0.28 0.00 0.00 0.00 0.00 61.98 61.55 3goe s VAL 79 Cb -0.16 -2.44 0.58 0.00 0.00 0.00 0.00 36.38 34.37 3goe s VAL 79 CO 0.11 0.23 1.79 0.18 0.00 0.00 0.00 175.10 177.41