#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gnn n SER 12 N 0.00 0.02 -2.27 1.67 2.88 -1.26 -3.95 113.62 110.72 2gnn n SER 12 Ca 0.00 0.50 -0.18 0.00 -1.33 0.00 0.00 58.87 57.86 2gnn n SER 12 Cb 0.00 -0.51 -0.13 0.00 -0.75 0.00 0.00 64.21 62.82 2gnn n SER 12 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2gnn n ASN 13 N -1.52 5.91 -3.77 -3.46 3.02 -1.26 -4.82 115.26 109.36 2gnn n ASN 13 Ca 0.05 -2.62 -0.19 0.00 -0.03 0.00 0.00 54.58 51.79 2gnn n ASN 13 Cb 0.23 -1.41 -0.17 0.00 -0.61 0.00 0.00 39.78 37.82 2gnn n ASN 13 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2gnn s THR 14 N 0.58 0.15 -0.23 3.41 -1.32 -1.25 -5.13 115.64 111.84 2gnn s THR 14 Ca 0.66 0.17 -0.08 0.00 -1.21 0.00 0.00 61.69 61.23 2gnn s THR 14 Cb 0.31 -0.29 -0.04 0.00 -1.51 0.00 0.00 72.50 70.97 2gnn s THR 14 CO -0.04 0.17 0.09 -0.54 -2.21 0.00 0.00 174.62 172.09 2gnn s LYS 15 N 1.47 3.87 0.83 7.08 1.02 -1.26 -5.10 119.74 127.65 2gnn s LYS 15 Ca -0.03 -0.38 -0.13 0.00 0.02 0.00 0.00 55.97 55.45 2gnn s LYS 15 Cb -0.13 -3.35 0.10 0.00 -0.52 0.00 0.00 37.83 33.93 2gnn s LYS 15 CO -0.03 0.02 1.20 0.20 -0.92 0.00 0.00 175.35 175.83 2gnn s GLY 16 N 1.08 1.62 0.23 -3.33 0.00 -1.26 -4.82 107.32 100.84 2gnn s GLY 16 Ca 0.05 -0.74 -0.07 0.00 0.00 0.00 0.00 44.72 43.96 2gnn s GLY 16 CO 0.04 -0.20 1.69 -0.25 0.00 0.00 0.00 173.10 174.38 2gnn h TRP 17 N -1.15 0.23 -0.34 1.90 -0.00 -1.99 -0.47 115.95 114.13 2gnn h TRP 17 Ca -0.46 0.04 -0.09 0.00 -0.00 0.00 0.00 58.89 58.38 2gnn h TRP 17 Cb 1.31 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.46 2gnn h TRP 17 CO 0.08 -0.06 -0.13 0.77 -0.00 0.00 0.00 178.44 179.10 2gnn h SER 18 N 0.27 0.71 -0.56 2.65 0.02 -1.99 -1.02 113.55 113.63 2gnn h SER 18 Ca 0.37 -0.39 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 2gnn h SER 18 Cb 0.58 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 2gnn h SER 18 CO -0.46 0.94 0.16 -0.08 -1.14 0.00 0.00 176.83 176.25 2gnn h GLU 19 N 0.48 0.92 0.07 3.45 4.81 -1.85 0.32 114.58 122.78 2gnn h GLU 19 Ca 0.08 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2gnn h GLU 19 Cb 0.65 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2gnn h GLU 19 CO 0.04 0.81 -0.03 0.28 -0.73 0.00 0.00 179.01 179.38 2gnn h VAL 20 N 0.89 0.97 -0.34 0.32 2.07 -0.81 -1.20 116.25 118.15 2gnn h VAL 20 Ca 0.20 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.61 2gnn h VAL 20 Cb 0.29 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2gnn h VAL 20 CO -0.00 0.03 0.17 -0.07 0.02 0.00 0.00 177.57 177.72 2gnn h LEU 21 N -0.15 0.25 -0.73 2.57 3.38 -1.04 -2.06 115.31 117.54 2gnn h LEU 21 Ca -0.01 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.08 2gnn h LEU 21 Cb 0.12 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.76 2gnn h LEU 21 CO 0.02 0.19 0.34 0.50 0.09 0.00 0.00 178.44 179.58 2gnn h LYS 22 N 0.36 0.54 0.00 1.13 3.64 -0.78 -1.81 116.57 119.64 2gnn h LYS 22 Ca 0.14 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2gnn h LYS 22 Cb 0.05 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2gnn h LYS 22 CO -0.10 0.36 0.00 0.41 -2.27 0.00 0.00 179.45 177.85 2gnn n GLY 23 N -1.31 -1.46 0.05 5.01 0.00 -0.47 -2.57 105.19 104.44 2gnn n GLY 23 Ca 0.12 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.24 2gnn n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gnn n SER 24 N -1.97 0.64 -4.59 1.61 3.41 -0.70 -4.98 113.62 107.03 2gnn n SER 24 Ca 0.05 0.13 -0.40 0.00 -0.26 0.00 0.00 58.87 58.39 2gnn n SER 24 Cb 0.33 0.04 0.03 0.00 -0.26 0.00 0.00 64.21 64.35 2gnn n SER 24 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2gnn n GLU 25 N -1.99 1.11 -2.33 4.33 1.02 -1.06 -1.08 120.64 120.64 2gnn n GLU 25 Ca 0.04 0.41 -0.43 0.00 -0.02 0.00 0.00 57.16 57.16 2gnn n GLU 25 Cb 0.42 -2.04 -0.02 0.00 -0.02 0.00 0.00 31.44 29.77 2gnn n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gnn s LYS 27 N 4.91 1.59 0.19 0.00 -2.85 -0.40 -4.76 119.74 118.42 2gnn s LYS 27 Ca 0.62 -0.87 -0.30 0.00 -1.00 0.00 0.00 55.97 54.42 2gnn s LYS 27 Cb -0.15 0.54 -0.09 0.00 -2.06 0.00 0.00 37.83 36.08 2gnn s LYS 27 CO 0.32 -0.73 1.36 -2.14 0.10 0.00 0.00 175.35 174.26 2gnn s PRO 28 N -3.71 4.34 0.02 1.78 0.02 -1.26 -1.31 135.00 134.88 2gnn s PRO 28 Ca 0.11 2.12 0.03 0.00 0.02 0.00 0.00 61.00 63.28 2gnn s PRO 28 Cb -0.04 -3.18 -0.01 0.00 0.02 0.00 0.00 34.50 31.28 2gnn s PRO 28 CO 0.05 -0.33 -0.09 1.03 -0.33 0.00 0.00 177.00 177.33 2gnn s ARG 29 N 0.09 0.66 0.19 5.54 0.52 0.28 -4.85 118.95 121.38 2gnn s ARG 29 Ca 0.59 -0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 55.00 2gnn s ARG 29 Cb -0.38 -0.59 -0.08 0.00 0.52 0.00 0.00 34.95 34.42 2gnn s ARG 29 CO 0.38 0.15 1.22 -1.25 0.02 0.00 0.00 175.30 175.81 2gnn s PRO 30 N -0.76 4.47 0.04 3.54 0.04 -1.26 -0.74 135.00 140.33 2gnn s PRO 30 Ca -0.01 1.91 0.03 0.00 0.04 0.00 0.00 61.00 62.97 2gnn s PRO 30 Cb -0.06 -3.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 2gnn s PRO 30 CO 0.00 -0.11 -0.10 0.96 0.04 0.00 0.00 177.00 177.79 2gnn s ILE 31 N -0.05 0.78 -0.09 0.56 -4.36 0.19 -4.93 121.20 113.31 2gnn s ILE 31 Ca 0.53 -0.97 -0.24 0.00 -0.26 0.00 0.00 60.65 59.71 2gnn s ILE 31 Cb -0.33 -0.76 -0.03 0.00 1.25 0.00 0.00 42.46 42.59 2gnn s ILE 31 CO 0.37 -0.17 0.76 -0.69 0.24 0.00 0.00 174.94 175.45 2gnn s VAL 32 N -1.02 4.98 -0.04 8.37 1.01 -1.26 -0.85 120.40 131.60 2gnn s VAL 32 Ca -0.04 1.54 0.03 0.00 0.00 0.00 0.00 61.98 63.52 2gnn s VAL 32 Cb -0.08 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2gnn s VAL 32 CO 0.01 0.18 -0.12 -0.69 0.00 0.00 0.00 175.10 174.47 2gnn s VAL 33 N 1.23 1.05 0.11 2.92 1.01 0.51 -4.96 120.40 122.28 2gnn s VAL 33 Ca 0.39 -0.49 -0.31 0.00 0.00 0.00 0.00 61.98 61.57 2gnn s VAL 33 Cb -0.18 -0.93 -0.07 0.00 0.00 0.00 0.00 36.38 35.20 2gnn s VAL 33 CO 0.17 0.32 1.32 -2.84 0.00 0.00 0.00 175.10 174.08 2gnn s PRO 34 N 0.24 4.36 0.20 2.72 0.02 -1.26 -0.66 135.00 140.63 2gnn s PRO 34 Ca -0.06 1.99 -0.11 0.00 0.02 0.00 0.00 61.00 62.84 2gnn s PRO 34 Cb -0.11 -3.27 0.14 0.00 0.02 0.00 0.00 34.50 31.28 2gnn s PRO 34 CO 0.02 -0.36 1.87 0.28 -0.33 0.00 0.00 177.00 178.48 2gnn h VAL 35 N 4.26 1.19 0.00 3.83 2.07 -1.43 -2.47 116.25 123.69 2gnn h VAL 35 Ca -0.42 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 2gnn h VAL 35 Cb 1.21 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2gnn h VAL 35 CO 0.84 0.18 -0.08 0.77 0.02 0.00 0.00 177.57 179.30 2gnn h SER 36 N 0.97 0.00 -0.18 0.57 4.64 -1.87 -2.03 113.55 115.65 2gnn h SER 36 Ca 0.26 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.44 2gnn h SER 36 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2gnn h SER 36 CO -0.06 0.08 -0.42 -0.08 -0.87 0.00 0.00 176.83 175.48 2gnn h GLU 37 N 0.00 0.61 -0.12 4.77 4.81 -1.82 -3.34 114.58 119.48 2gnn h GLU 37 Ca -0.00 -0.41 -0.15 0.00 -0.13 0.00 0.00 59.36 58.67 2gnn h GLU 37 Cb 0.17 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2gnn h GLU 37 CO 0.01 1.03 -0.57 1.79 -0.73 0.00 0.00 179.01 180.54 2gnn h THR 38 N 0.28 1.35 -3.15 0.32 1.35 -1.18 -3.38 112.91 108.51 2gnn h THR 38 Ca -0.00 -1.86 -0.63 0.00 -0.55 0.00 0.00 66.41 63.37 2gnn h THR 38 Cb 1.03 1.88 -0.41 0.00 -1.73 0.00 0.00 68.15 68.91 2gnn h THR 38 CO 0.09 0.56 -0.61 -1.00 -0.25 0.00 0.00 175.52 174.32 2gnn s HIS 39 N -3.89 3.33 0.00 4.73 3.76 -0.88 -4.98 115.29 117.36 2gnn s HIS 39 Ca -0.06 -3.24 0.00 0.00 -0.15 0.00 0.00 55.06 51.62 2gnn s HIS 39 Cb 0.12 -2.67 0.00 0.00 1.11 0.00 0.00 32.58 31.14 2gnn s HIS 39 CO 0.82 -0.62 1.27 -2.30 -0.85 0.00 0.00 174.74 173.05 2gnn n PRO 40 N 2.39 0.69 -3.06 8.40 -0.02 -1.26 -4.63 135.00 137.52 2gnn n PRO 40 Ca 0.15 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.47 2gnn n PRO 40 Cb 0.34 -1.15 -0.00 0.00 -0.02 0.00 0.00 33.50 32.67 2gnn n PRO 40 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2gnn n GLU 41 N 1.48 0.93 -1.43 -0.52 0.00 -1.26 -5.16 120.64 114.68 2gnn n GLU 41 Ca 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 57.16 54.25 2gnn n GLU 41 Cb 0.35 -1.46 0.00 0.00 0.00 0.00 0.00 31.44 30.33 2gnn n GLU 41 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2gnn n SER 44 N 0.58 1.94 -0.35 -1.84 7.64 -1.26 -5.16 113.62 115.17 2gnn n SER 44 Ca 0.19 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.34 2gnn n SER 44 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 2gnn n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gnn n GLN 45 N -0.02 0.00 -2.31 1.43 10.64 -1.26 -5.13 117.38 120.72 2gnn n GLN 45 Ca 0.00 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.75 2gnn n GLN 45 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 2gnn n GLN 45 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2gnn s ARG 46 N -0.05 4.32 -0.04 2.61 0.52 -1.26 -4.95 118.95 120.09 2gnn s ARG 46 Ca 0.00 1.86 0.03 0.00 -0.52 0.00 0.00 55.73 57.10 2gnn s ARG 46 Cb 0.00 -3.54 0.00 0.00 0.52 0.00 0.00 34.95 31.93 2gnn s ARG 46 CO 0.00 -0.51 -0.13 -0.06 0.02 0.00 0.00 175.30 174.62 2gnn s PHE 47 N 2.21 1.40 -0.17 -0.53 0.08 -1.26 -4.50 117.98 115.21 2gnn s PHE 47 Ca 0.61 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 57.23 2gnn s PHE 47 Cb -0.29 -0.98 0.05 0.00 -0.57 0.00 0.00 43.02 41.23 2gnn s PHE 47 CO 0.25 -0.18 -0.02 1.21 -0.10 0.00 0.00 175.22 176.39 2gnn s ASN 48 N 0.26 2.79 0.66 1.36 2.47 0.17 -1.92 114.94 120.74 2gnn s ASN 48 Ca -0.07 -0.69 -0.17 0.00 0.42 0.00 0.00 52.86 52.36 2gnn s ASN 48 Cb -0.12 -0.77 -0.00 0.00 -1.45 0.00 0.00 41.25 38.91 2gnn s ASN 48 CO 0.02 -0.23 1.22 -2.84 -3.72 0.00 0.00 177.10 171.55 2gnn s PRO 49 N 1.73 2.57 0.00 0.43 0.02 -1.26 -1.30 135.00 137.19 2gnn s PRO 49 Ca 0.00 1.82 0.23 0.00 0.02 0.00 0.00 61.00 63.08 2gnn s PRO 49 Cb -0.16 -1.88 1.17 0.00 0.02 0.00 0.00 34.50 33.65 2gnn s PRO 49 CO -0.07 -1.52 1.77 -0.35 -0.33 0.00 0.00 177.00 176.50 2gnn n PRO 50 N -2.12 0.31 -4.00 5.54 -0.04 -0.81 -4.84 135.00 129.04 2gnn n PRO 50 Ca 0.14 0.07 -0.08 0.00 -0.04 0.00 0.00 63.50 63.58 2gnn n PRO 50 Cb 0.50 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 2gnn n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gnn s VAL 52 N -3.37 0.36 -0.25 0.00 1.01 0.17 -4.87 120.40 113.45 2gnn s VAL 52 Ca 0.02 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 60.97 2gnn s VAL 52 Cb 0.04 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 2gnn s VAL 52 CO -0.08 -0.34 0.44 -0.89 0.00 0.00 0.00 175.10 174.23 2gnn s THR 53 N -1.18 5.14 0.01 3.92 2.01 -1.26 -0.36 115.64 123.92 2gnn s THR 53 Ca -0.10 0.73 0.08 0.00 0.31 0.00 0.00 61.69 62.71 2gnn s THR 53 Cb -0.08 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 2gnn s THR 53 CO -0.00 0.15 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.06 2gnn s LEU 54 N 1.98 2.10 -0.11 4.42 1.43 -0.03 -4.91 118.68 123.56 2gnn s LEU 54 Ca 0.18 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 2gnn s LEU 54 Cb -0.15 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 2gnn s LEU 54 CO 0.09 0.29 1.13 -0.04 0.23 0.00 0.00 176.35 178.05 2gnn s MET 55 N -0.86 4.34 0.03 1.70 -1.94 -1.26 -0.63 119.30 120.68 2gnn s MET 55 Ca 0.11 1.54 0.01 0.00 -1.71 0.00 0.00 55.69 55.63 2gnn s MET 55 Cb -0.10 -3.59 -0.02 0.00 2.01 0.00 0.00 34.83 33.12 2gnn s MET 55 CO 0.00 -0.47 -0.05 1.03 -0.01 0.00 0.00 175.02 175.52 2gnn s ARG 56 N 2.48 0.42 0.21 2.03 1.81 0.08 -1.27 118.95 124.71 2gnn s ARG 56 Ca 0.52 -0.69 -0.30 0.00 -1.72 0.00 0.00 55.73 53.53 2gnn s ARG 56 Cb -0.21 -0.09 -0.09 0.00 -0.45 0.00 0.00 34.95 34.11 2gnn s ARG 56 CO 0.17 -0.00 1.32 0.00 -0.68 0.00 0.00 175.30 176.11 2gnn s GLY 58 N 0.28 0.21 0.00 0.00 0.00 -0.42 -4.86 107.32 102.52 2gnn s GLY 58 Ca 0.56 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.75 2gnn s GLY 58 CO 0.39 0.49 0.00 0.61 0.00 0.00 0.00 173.10 174.60 2gnn n GLY 59 N -0.57 0.42 3.04 0.20 0.00 -1.26 -1.28 105.19 105.75 2gnn n GLY 59 Ca -0.06 -2.24 -0.16 0.00 0.00 0.00 0.00 46.02 43.56 2gnn n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gnn h ASN 62 N 1.03 0.11 -3.66 0.00 -0.73 -1.99 -3.43 115.58 106.92 2gnn h ASN 62 Ca -0.47 -0.00 -0.57 0.00 1.87 0.00 0.00 56.30 57.12 2gnn h ASN 62 Cb 1.20 -0.03 -0.32 0.00 0.27 0.00 0.00 38.32 39.44 2gnn h ASN 62 CO 0.64 0.08 -0.84 -0.62 -0.37 0.00 0.00 177.43 176.32 2gnn s ASP 63 N -6.98 2.24 0.49 1.15 -1.08 -1.26 -5.02 116.67 106.21 2gnn s ASP 63 Ca -0.06 -0.38 0.33 0.00 -0.52 0.00 0.00 52.55 51.93 2gnn s ASP 63 Cb 0.17 -0.82 1.64 0.00 -1.46 0.00 0.00 42.92 42.45 2gnn s ASP 63 CO 0.68 0.12 2.00 1.05 0.52 0.00 0.00 175.17 179.55 2gnn h GLU 64 N 6.55 0.00 -0.01 4.34 9.09 -2.04 -2.16 114.58 130.36 2gnn h GLU 64 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.11 2gnn h GLU 64 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 2gnn h GLU 64 CO 0.48 0.00 -0.04 -1.13 0.05 0.00 0.00 179.01 178.36 2gnn n SER 65 N -2.75 0.68 -4.68 3.06 3.41 -1.26 -4.86 113.62 107.22 2gnn n SER 65 Ca -0.01 -1.03 -0.25 0.00 -0.26 0.00 0.00 58.87 57.32 2gnn n SER 65 Cb 0.15 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.01 2gnn n SER 65 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2gnn s LEU 66 N -2.17 3.36 0.01 1.04 1.43 -0.81 -1.21 118.68 120.33 2gnn s LEU 66 Ca 0.38 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 2gnn s LEU 66 Cb 0.21 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 2gnn s LEU 66 CO 0.40 0.05 -0.11 -0.70 0.23 0.00 0.00 176.35 176.21 2gnn s GLU 67 N -3.28 0.81 -0.57 1.70 2.12 0.12 -4.81 118.70 114.79 2gnn s GLU 67 Ca 0.29 -0.49 -0.27 0.00 0.36 0.00 0.00 54.97 54.87 2gnn s GLU 67 Cb -0.08 -0.77 0.03 0.00 0.26 0.00 0.00 34.13 33.57 2gnn s GLU 67 CO 0.20 0.20 1.10 0.00 -0.54 0.00 0.00 175.26 176.23 2gnn s VAL 69 N 4.61 1.92 0.14 0.00 -7.23 -0.35 -4.75 120.40 114.74 2gnn s VAL 69 Ca 0.38 -1.77 -0.30 0.00 -1.81 0.00 0.00 61.98 58.48 2gnn s VAL 69 Cb -0.09 -1.80 -0.07 0.00 0.56 0.00 0.00 36.38 34.97 2gnn s VAL 69 CO 0.23 -0.13 1.22 -2.16 -0.31 0.00 0.00 175.10 173.95 2gnn s PRO 70 N -2.34 4.46 -0.00 4.82 0.04 -1.26 -1.42 135.00 139.29 2gnn s PRO 70 Ca 0.13 1.87 0.11 0.00 0.04 0.00 0.00 61.00 63.14 2gnn s PRO 70 Cb -0.08 -3.27 -0.12 0.00 0.04 0.00 0.00 34.50 31.06 2gnn s PRO 70 CO 0.06 -0.17 0.43 0.25 0.04 0.00 0.00 177.00 177.61 2gnn n THR 71 N 3.06 0.00 -3.92 1.26 -2.24 -0.06 -4.91 114.28 107.47 2gnn n THR 71 Ca 0.06 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 2gnn n THR 71 Cb 0.45 0.90 -0.15 0.00 -2.10 0.00 0.00 70.33 69.43 2gnn n THR 71 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2gnn s GLU 72 N -2.12 0.11 -0.03 -0.78 2.02 -1.16 -4.95 118.70 111.80 2gnn s GLU 72 Ca 0.03 -0.01 0.01 0.00 0.02 0.00 0.00 54.97 55.02 2gnn s GLU 72 Cb 0.08 -0.16 0.02 0.00 0.10 0.00 0.00 34.13 34.17 2gnn s GLU 72 CO 0.45 -0.01 -0.02 -1.21 0.02 0.00 0.00 175.26 174.49 2gnn s GLU 73 N 0.19 0.48 0.26 1.61 2.02 -1.26 -1.23 118.70 120.77 2gnn s GLU 73 Ca -0.02 -0.03 0.03 0.00 0.02 0.00 0.00 54.97 54.98 2gnn s GLU 73 Cb -0.03 -0.56 -0.05 0.00 0.10 0.00 0.00 34.13 33.58 2gnn s GLU 73 CO -0.01 -0.07 0.04 0.14 0.02 0.00 0.00 175.26 175.38 2gnn s VAL 74 N 0.77 0.90 0.01 2.63 -7.23 -0.68 -4.97 120.40 111.83 2gnn s VAL 74 Ca -0.09 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 57.98 2gnn s VAL 74 Cb -0.12 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 2gnn s VAL 74 CO -0.01 -0.16 0.32 0.20 -0.31 0.00 0.00 175.10 175.14 2gnn s ASN 75 N -3.34 6.60 -0.07 4.85 0.01 -1.26 -0.85 114.94 120.88 2gnn s ASN 75 Ca 0.33 0.71 0.03 0.00 -0.71 0.00 0.00 52.86 53.22 2gnn s ASN 75 Cb 0.07 -2.15 0.01 0.00 0.41 0.00 0.00 41.25 39.59 2gnn s ASN 75 CO 0.11 0.27 -0.15 -0.69 -1.51 0.00 0.00 177.10 175.13 2gnn s VAL 76 N -1.24 1.33 -0.09 1.60 1.01 0.07 -4.92 120.40 118.16 2gnn s VAL 76 Ca 0.26 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 2gnn s VAL 76 Cb -0.14 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 2gnn s VAL 76 CO 0.14 0.40 0.24 -0.89 0.00 0.00 0.00 175.10 175.00 2gnn s THR 77 N 0.58 5.33 -0.02 3.92 2.01 -1.26 -0.44 115.64 125.76 2gnn s THR 77 Ca -0.15 0.45 0.02 0.00 0.31 0.00 0.00 61.69 62.32 2gnn s THR 77 Cb -0.16 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.82 2gnn s THR 77 CO 0.05 0.57 -0.07 -0.04 -0.69 0.00 0.00 174.62 174.44 2gnn s MET 78 N -0.81 0.65 -0.12 4.92 -1.94 0.44 -4.96 119.30 117.48 2gnn s MET 78 Ca 0.18 -0.22 -0.15 0.00 -1.71 0.00 0.00 55.69 53.79 2gnn s MET 78 Cb -0.14 -0.63 -0.05 0.00 2.01 0.00 0.00 34.83 36.02 2gnn s MET 78 CO 0.07 0.10 0.35 -1.83 -0.01 0.00 0.00 175.02 173.69 2gnn s GLU 79 N 0.10 4.17 0.09 2.03 -1.05 -1.26 -0.18 118.70 122.60 2gnn s GLU 79 Ca -0.01 0.23 0.05 0.00 -0.15 0.00 0.00 54.97 55.09 2gnn s GLU 79 Cb -0.06 -3.38 -0.03 0.00 -0.44 0.00 0.00 34.13 30.22 2gnn s GLU 79 CO -0.00 0.33 -0.13 -0.51 0.95 0.00 0.00 175.26 175.90 2gnn s LEU 80 N 0.15 2.33 -0.18 1.83 1.43 0.76 -4.97 118.68 120.04 2gnn s LEU 80 Ca 0.20 -0.70 -0.21 0.00 -1.03 0.00 0.00 54.13 52.39 2gnn s LEU 80 Cb -0.14 -0.46 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 2gnn s LEU 80 CO 0.07 -0.14 0.62 -0.22 0.23 0.00 0.00 176.35 176.91 2gnn s LEU 81 N -2.04 4.18 0.00 1.79 0.20 -0.42 -0.30 118.68 122.09 2gnn s LEU 81 Ca 0.02 0.87 0.00 0.00 0.69 0.00 0.00 54.13 55.70 2gnn s LEU 81 Cb -0.07 -2.89 0.00 0.00 -0.43 0.00 0.00 46.19 42.80 2gnn s LEU 81 CO 0.02 -0.23 0.00 0.61 -0.29 0.00 0.00 176.35 176.46 2gnn n GLY 82 N 3.67 0.26 3.76 7.98 0.00 -1.26 -0.65 105.19 118.94 2gnn n GLY 82 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2gnn n GLY 82 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2gnn s MET 91 N 0.00 4.37 0.05 1.61 1.75 -1.26 -4.90 119.30 120.91 2gnn s MET 91 Ca 0.00 0.83 -0.03 0.00 -1.25 0.00 0.00 55.69 55.23 2gnn s MET 91 Cb 0.00 -3.35 -0.02 0.00 2.84 0.00 0.00 34.83 34.30 2gnn s MET 91 CO 0.00 0.34 0.04 -0.65 -0.65 0.00 0.00 175.02 174.10 2gnn s GLN 92 N -0.15 0.59 -0.14 4.11 -0.21 0.59 -4.99 119.66 119.46 2gnn s GLN 92 Ca 0.33 -0.96 -0.03 0.00 0.02 0.00 0.00 55.36 54.72 2gnn s GLN 92 Cb -0.19 0.22 -0.03 0.00 1.00 0.00 0.00 33.01 34.01 2gnn s GLN 92 CO 0.19 -0.13 -0.04 1.03 -2.12 0.00 0.00 175.29 174.21 2gnn s ARG 93 N -3.17 3.51 0.03 2.91 0.52 -1.26 -0.17 118.95 121.31 2gnn s ARG 93 Ca -0.00 -0.52 0.06 0.00 -0.52 0.00 0.00 55.73 54.75 2gnn s ARG 93 Cb 0.02 -2.86 -0.02 0.00 0.52 0.00 0.00 34.95 32.61 2gnn s ARG 93 CO -0.07 0.32 -0.17 -0.51 0.02 0.00 0.00 175.30 174.89 2gnn s LEU 94 N 0.13 2.14 -0.09 2.53 1.43 0.75 -4.94 118.68 120.63 2gnn s LEU 94 Ca -0.01 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 2gnn s LEU 94 Cb -0.14 -0.81 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 2gnn s LEU 94 CO 0.03 0.12 0.01 -0.55 0.23 0.00 0.00 176.35 176.19 2gnn s SER 95 N -0.99 5.28 0.13 2.29 0.15 -1.26 -0.42 113.70 118.89 2gnn s SER 95 Ca 0.05 0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.89 2gnn s SER 95 Cb -0.08 -1.53 -0.04 0.00 -1.71 0.00 0.00 66.02 62.66 2gnn s SER 95 CO 0.01 0.37 -0.09 -0.36 1.20 0.00 0.00 173.24 174.36 2gnn s PHE 96 N -0.81 1.15 -0.18 3.44 0.40 0.41 -4.96 117.98 117.43 2gnn s PHE 96 Ca 0.12 -0.77 -0.10 0.00 -0.60 0.00 0.00 56.93 55.59 2gnn s PHE 96 Cb -0.11 -0.61 -0.05 0.00 0.51 0.00 0.00 43.02 42.76 2gnn s PHE 96 CO 0.02 0.02 0.14 0.08 0.70 0.00 0.00 175.22 176.18 2gnn s VAL 97 N -3.22 5.42 0.24 -0.44 1.01 -1.26 -0.75 120.40 121.41 2gnn s VAL 97 Ca 0.14 0.21 0.10 0.00 0.00 0.00 0.00 61.98 62.42 2gnn s VAL 97 Cb 0.02 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2gnn s VAL 97 CO -0.01 0.47 -0.09 -1.61 0.00 0.00 0.00 175.10 173.86 2gnn s GLU 98 N 0.12 2.04 -0.21 2.72 2.02 -0.03 -4.84 118.70 120.52 2gnn s GLU 98 Ca 0.10 -1.47 -0.07 0.00 0.02 0.00 0.00 54.97 53.55 2gnn s GLU 98 Cb -0.11 -2.05 -0.03 0.00 0.10 0.00 0.00 34.13 32.04 2gnn s GLU 98 CO -0.01 0.38 0.05 -1.01 0.02 0.00 0.00 175.26 174.69 2gnn s HIS 99 N -2.17 3.13 -0.04 1.61 3.76 -0.39 -1.69 115.29 119.51 2gnn s HIS 99 Ca 0.29 -0.22 0.18 0.00 -0.15 0.00 0.00 55.06 55.15 2gnn s HIS 99 Cb -0.07 -2.14 -0.27 0.00 1.11 0.00 0.00 32.58 31.21 2gnn s HIS 99 CO 0.17 -0.13 0.37 1.63 -0.85 0.00 0.00 174.74 175.93 2gnn n LYS 100 N 4.23 0.60 -3.71 1.40 4.76 -0.36 -4.61 118.16 120.47 2gnn n LYS 100 Ca -0.16 -0.15 -0.14 0.00 -2.87 0.00 0.00 58.31 54.98 2gnn n LYS 100 Cb 0.52 -1.43 -0.08 0.00 -1.84 0.00 0.00 35.03 32.20 2gnn n LYS 100 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2gnn s LYS 101 N -3.19 0.77 0.09 1.97 2.20 -1.24 -4.86 119.74 115.49 2gnn s LYS 101 Ca -0.07 -0.15 -0.00 0.00 -0.36 0.00 0.00 55.97 55.39 2gnn s LYS 101 Cb 0.11 0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 36.74 2gnn s LYS 101 CO 0.74 -0.23 -0.01 0.00 -0.36 0.00 0.00 175.35 175.49 2gnn s ASP 103 N -2.99 -0.61 -0.30 0.00 2.15 -0.51 -4.82 116.67 109.59 2gnn s ASP 103 Ca 0.13 0.74 -0.27 0.00 0.43 0.00 0.00 52.55 53.58 2gnn s ASP 103 Cb 0.07 0.64 0.01 0.00 -0.30 0.00 0.00 42.92 43.35 2gnn s ASP 103 CO -0.05 -0.53 0.99 0.00 -0.17 0.00 0.00 175.17 175.40 2gnn s ARG 105 N 3.36 1.14 0.44 0.00 1.81 -0.53 -4.81 118.95 120.36 2gnn s ARG 105 Ca 0.41 -1.13 -0.22 0.00 -1.72 0.00 0.00 55.73 53.07 2gnn s ARG 105 Cb -0.13 -1.39 -0.11 0.00 -0.45 0.00 0.00 34.95 32.87 2gnn s ARG 105 CO 0.13 0.33 0.67 -2.30 -0.68 0.00 0.00 175.30 173.44 2gnn n PRO 106 N 1.17 0.76 -2.19 3.54 -0.02 -1.26 -0.70 135.00 136.30 2gnn n PRO 106 Ca -0.19 0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 61.15 2gnn n PRO 106 Cb 0.54 -1.68 -0.03 0.00 -0.02 0.00 0.00 33.50 32.31 2gnn n PRO 106 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2gnn s ARG 107 N -1.78 4.37 -0.21 -0.52 0.52 -0.35 -4.70 118.95 116.27 2gnn s ARG 107 Ca 0.64 2.08 -0.29 0.00 -0.52 0.00 0.00 55.73 57.65 2gnn s ARG 107 Cb -0.57 -3.19 -0.01 0.00 0.52 0.00 0.00 34.95 31.70 2gnn s ARG 107 CO 0.57 -0.29 1.28 0.12 0.02 0.00 0.00 175.30 176.99 2gnn s PHE 108 N 0.23 2.78 0.09 -0.53 5.36 -1.26 -5.04 117.98 119.62 2gnn s PHE 108 Ca 0.58 0.96 0.09 0.00 -0.96 0.00 0.00 56.93 57.60 2gnn s PHE 108 Cb -0.37 -3.64 -0.04 0.00 -0.34 0.00 0.00 43.02 38.63 2gnn s PHE 108 CO 0.38 -1.71 -0.22 0.95 -1.46 0.00 0.00 175.22 173.15 2gnn s THR 109 N 3.83 2.54 -0.36 0.12 -4.23 -1.26 -5.22 115.64 111.05 2gnn s THR 109 Ca 0.55 -1.48 0.03 0.00 -1.18 0.00 0.00 61.69 59.61 2gnn s THR 109 Cb -0.20 -2.10 0.02 0.00 1.34 0.00 0.00 72.50 71.56 2gnn s THR 109 CO 0.18 0.20 0.59 0.41 -0.54 0.00 0.00 174.62 175.46