#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ppo s VAL 2 N 0.00 0.31 -0.10 1.61 0.11 -1.26 -0.88 120.40 120.18 2ppo s VAL 2 Ca 0.00 -0.12 0.03 0.00 -2.93 0.00 0.00 61.98 58.97 2ppo s VAL 2 Cb 0.00 -0.29 -0.00 0.00 -1.53 0.00 0.00 36.38 34.55 2ppo s VAL 2 CO 0.00 0.11 -0.22 -1.10 -3.33 0.00 0.00 175.10 170.56 2ppo s GLN 3 N 0.21 3.09 -0.16 1.54 -0.21 -0.35 -4.97 119.66 118.80 2ppo s GLN 3 Ca -0.02 -0.84 -0.05 0.00 0.02 0.00 0.00 55.36 54.47 2ppo s GLN 3 Cb -0.05 -2.36 -0.03 0.00 1.00 0.00 0.00 33.01 31.57 2ppo s GLN 3 CO -0.00 0.20 -0.01 0.08 -2.12 0.00 0.00 175.29 173.43 2ppo s VAL 4 N 0.31 4.10 -0.10 1.09 1.01 -1.26 -0.79 120.40 124.77 2ppo s VAL 4 Ca -0.17 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.54 2ppo s VAL 4 Cb -0.17 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.42 2ppo s VAL 4 CO 0.08 0.49 -0.10 -0.70 0.00 0.00 0.00 175.10 174.87 2ppo s GLU 5 N 0.37 1.64 0.15 2.72 2.12 -0.17 -4.98 118.70 120.55 2ppo s GLU 5 Ca -0.02 -0.33 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 2ppo s GLU 5 Cb -0.14 -1.57 -0.08 0.00 0.26 0.00 0.00 34.13 32.60 2ppo s GLU 5 CO 0.02 -0.18 1.22 0.99 -0.54 0.00 0.00 175.26 176.78 2ppo s THR 6 N 1.38 3.61 -0.24 -1.70 2.01 -1.26 0.00 115.64 119.44 2ppo s THR 6 Ca -0.01 1.29 -0.06 0.00 0.31 0.00 0.00 61.69 63.22 2ppo s THR 6 Cb -0.14 -3.82 -0.17 0.00 0.01 0.00 0.00 72.50 68.38 2ppo s THR 6 CO -0.05 0.17 -0.13 -0.38 -0.69 0.00 0.00 174.62 173.55 2ppo n ILE 7 N 2.93 1.55 -3.76 1.82 5.41 0.74 -4.87 119.36 123.19 2ppo n ILE 7 Ca 0.06 -0.49 -0.14 0.00 1.00 0.00 0.00 62.75 63.18 2ppo n ILE 7 Cb 0.45 -1.65 -0.15 0.00 -0.71 0.00 0.00 39.64 37.58 2ppo n ILE 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2ppo s SER 8 N -6.90 -0.00 0.53 4.38 0.15 -0.60 -4.97 113.70 106.30 2ppo s SER 8 Ca -0.33 0.18 -0.21 0.00 0.70 0.00 0.00 55.95 56.29 2ppo s SER 8 Cb 0.10 0.07 -0.06 0.00 -1.71 0.00 0.00 66.02 64.42 2ppo s SER 8 CO 0.60 -0.14 1.20 -2.16 1.20 0.00 0.00 173.24 173.93 2ppo s PRO 9 N 1.15 3.34 0.00 5.44 0.04 -1.26 -1.06 135.00 142.66 2ppo s PRO 9 Ca -0.09 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2ppo s PRO 9 Cb -0.12 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2ppo s PRO 9 CO -0.05 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.50 2ppo n GLY 10 N 0.44 1.42 0.06 0.56 0.00 -1.26 -4.33 105.19 102.09 2ppo n GLY 10 Ca 0.11 -1.84 0.14 0.00 0.00 0.00 0.00 46.02 44.42 2ppo n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ppo n ASP 11 N 0.00 0.37 0.00 1.61 3.85 -0.50 -4.83 116.55 117.05 2ppo n ASP 11 Ca 0.00 -0.23 0.00 0.00 -0.71 0.00 0.00 54.79 53.85 2ppo n ASP 11 Cb 0.00 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 39.67 2ppo n ASP 11 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2ppo n GLY 12 N 1.39 0.24 0.00 6.12 0.00 -1.26 -4.74 105.19 106.94 2ppo n GLY 12 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2ppo n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppo n ARG 13 N -0.89 1.00 -3.57 1.61 5.12 -1.26 -5.02 116.66 113.65 2ppo n ARG 13 Ca 0.00 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.51 2ppo n ARG 13 Cb 0.25 -0.66 -0.08 0.00 -1.16 0.00 0.00 32.46 30.81 2ppo n ARG 13 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2ppo s THR 14 N -1.31 4.18 0.02 0.55 2.01 -1.26 -5.04 115.64 114.78 2ppo s THR 14 Ca 0.00 -1.93 0.03 0.00 0.31 0.00 0.00 61.69 60.10 2ppo s THR 14 Cb 0.00 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2ppo s THR 14 CO 0.00 -0.79 -0.06 -0.36 -0.69 0.00 0.00 174.62 172.72 2ppo s PHE 15 N 1.17 2.90 0.63 4.92 0.08 -1.26 -0.92 117.98 125.50 2ppo s PHE 15 Ca 0.07 -0.03 -0.19 0.00 0.12 0.00 0.00 56.93 56.90 2ppo s PHE 15 Cb -0.25 -1.60 -0.02 0.00 -0.57 0.00 0.00 43.02 40.59 2ppo s PHE 15 CO -0.02 0.39 1.31 -2.14 -0.10 0.00 0.00 175.22 174.67 2ppo s PRO 16 N -1.54 2.66 0.08 0.24 0.02 -1.26 -5.03 135.00 130.17 2ppo s PRO 16 Ca 0.18 2.11 0.04 0.00 0.02 0.00 0.00 61.00 63.35 2ppo s PRO 16 Cb -0.11 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 2ppo s PRO 16 CO 0.09 -1.53 0.03 0.15 -0.33 0.00 0.00 177.00 175.41 2ppo s LYS 17 N -3.29 2.69 0.23 5.54 1.02 -1.26 -4.98 119.74 119.69 2ppo s LYS 17 Ca 0.81 -0.77 -0.31 0.00 0.02 0.00 0.00 55.97 55.72 2ppo s LYS 17 Cb -0.38 -2.62 -0.14 0.00 -0.52 0.00 0.00 37.83 34.17 2ppo s LYS 17 CO 0.41 0.56 1.37 -2.13 -0.92 0.00 0.00 175.35 174.64 2ppo n ARG 18 N 0.58 1.91 0.00 1.68 0.63 -1.26 -1.45 116.66 118.74 2ppo n ARG 18 Ca -0.10 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 2ppo n ARG 18 Cb 0.52 -2.31 0.00 0.00 0.45 0.00 0.00 32.46 31.12 2ppo n ARG 18 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ppo n GLY 19 N 2.10 1.74 3.85 5.14 0.00 0.52 -5.02 105.19 113.51 2ppo n GLY 19 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2ppo n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ppo s GLN 20 N -0.64 3.90 -0.28 1.61 -0.21 -0.53 -4.71 119.66 118.79 2ppo s GLN 20 Ca 0.00 0.93 -0.21 0.00 0.02 0.00 0.00 55.36 56.09 2ppo s GLN 20 Cb 0.00 -2.13 -0.01 0.00 1.00 0.00 0.00 33.01 31.87 2ppo s GLN 20 CO 0.00 -0.32 0.68 0.99 -2.12 0.00 0.00 175.29 174.53 2ppo s THR 21 N -2.71 4.92 -0.19 -0.19 2.01 0.86 -1.26 115.64 119.09 2ppo s THR 21 Ca 0.58 1.12 -0.22 0.00 0.31 0.00 0.00 61.69 63.49 2ppo s THR 21 Cb -0.10 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 2ppo s THR 21 CO 0.35 -0.08 0.68 0.00 -0.69 0.00 0.00 174.62 174.88 2ppo s VAL 23 N 1.92 4.33 0.13 0.00 1.01 -0.49 -1.64 120.40 125.65 2ppo s VAL 23 Ca 0.31 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.78 2ppo s VAL 23 Cb -0.16 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2ppo s VAL 23 CO 0.11 0.05 -0.12 0.68 0.00 0.00 0.00 175.10 175.82 2ppo s VAL 24 N 1.56 1.24 0.01 2.92 -7.23 0.14 -0.36 120.40 118.68 2ppo s VAL 24 Ca 0.04 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.41 2ppo s VAL 24 Cb -0.17 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 2ppo s VAL 24 CO 0.05 -0.53 0.02 -1.00 -0.31 0.00 0.00 175.10 173.33 2ppo s HIS 25 N -2.52 3.13 0.04 2.82 3.76 -0.52 -0.91 115.29 121.09 2ppo s HIS 25 Ca 0.11 0.10 -0.22 0.00 -0.15 0.00 0.00 55.06 54.91 2ppo s HIS 25 Cb -0.03 -1.67 0.05 0.00 1.11 0.00 0.00 32.58 32.04 2ppo s HIS 25 CO 0.02 0.49 0.50 1.52 -0.85 0.00 0.00 174.74 176.42 2ppo s TYR 26 N -1.14 -0.39 -0.05 1.40 -0.85 -1.25 -0.36 117.35 114.69 2ppo s TYR 26 Ca 0.21 0.43 -0.01 0.00 -0.52 0.00 0.00 57.07 57.18 2ppo s TYR 26 Cb -0.12 0.32 0.03 0.00 0.38 0.00 0.00 41.96 42.57 2ppo s TYR 26 CO 0.12 -0.62 0.01 0.99 -1.52 0.00 0.00 175.55 174.53 2ppo s THR 27 N -2.41 0.25 -0.18 -3.49 2.01 -0.25 -0.95 115.64 110.62 2ppo s THR 27 Ca -0.05 0.16 -0.09 0.00 0.31 0.00 0.00 61.69 62.02 2ppo s THR 27 Cb -0.01 -0.40 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 2ppo s THR 27 CO -0.02 0.22 0.13 -0.83 -0.69 0.00 0.00 174.62 173.43 2ppo s GLY 28 N 1.75 2.07 0.06 4.40 0.00 0.54 -0.86 107.32 115.27 2ppo s GLY 28 Ca 0.01 -0.68 0.05 0.00 0.00 0.00 0.00 44.72 44.10 2ppo s GLY 28 CO -0.04 -0.01 -0.14 1.06 0.00 0.00 0.00 173.10 173.98 2ppo s MET 29 N -0.02 0.82 0.80 2.90 -1.94 0.18 -0.76 119.30 121.28 2ppo s MET 29 Ca 0.10 -0.90 -0.11 0.00 -1.71 0.00 0.00 55.69 53.06 2ppo s MET 29 Cb -0.11 -0.81 0.07 0.00 2.01 0.00 0.00 34.83 35.98 2ppo s MET 29 CO -0.00 0.18 1.09 -0.51 -0.01 0.00 0.00 175.02 175.77 2ppo s LEU 30 N -1.61 2.68 0.50 -0.03 1.43 -0.53 -1.03 118.68 120.08 2ppo s LEU 30 Ca -0.02 1.50 0.27 0.00 -1.03 0.00 0.00 54.13 54.85 2ppo s LEU 30 Cb -0.10 -4.12 1.35 0.00 0.03 0.00 0.00 46.19 43.36 2ppo s LEU 30 CO 0.02 -2.07 1.88 -0.08 0.23 0.00 0.00 176.35 176.33 2ppo h GLU 31 N -1.15 0.13 0.00 1.70 4.81 -1.75 0.25 114.58 118.57 2ppo h GLU 31 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2ppo h GLU 31 Cb 1.26 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2ppo h GLU 31 CO 0.56 0.09 0.00 -0.40 -0.73 0.00 0.00 179.01 178.53 2ppo n ASP 32 N -4.36 0.06 0.00 1.04 5.68 -1.26 -4.88 116.55 112.83 2ppo n ASP 32 Ca 0.19 0.51 0.00 0.00 -0.50 0.00 0.00 54.79 54.99 2ppo n ASP 32 Cb 0.88 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 2ppo n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ppo n GLY 33 N 0.90 1.31 3.69 6.12 0.00 0.87 -5.08 105.19 113.00 2ppo n GLY 33 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2ppo n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppo s LYS 34 N -0.37 4.28 0.14 1.61 1.02 -1.26 -4.76 119.74 120.40 2ppo s LYS 34 Ca 0.00 1.99 -0.30 0.00 0.02 0.00 0.00 55.97 57.68 2ppo s LYS 34 Cb 0.00 -3.56 -0.07 0.00 -0.52 0.00 0.00 37.83 33.68 2ppo s LYS 34 CO 0.00 -0.58 1.24 0.21 -0.92 0.00 0.00 175.35 175.30 2ppo s LYS 35 N 2.36 4.43 -0.00 1.68 2.20 -1.26 -1.45 119.74 127.69 2ppo s LYS 35 Ca 0.65 1.90 0.08 0.00 -0.36 0.00 0.00 55.97 58.23 2ppo s LYS 35 Cb -0.32 -3.27 -0.10 0.00 -1.51 0.00 0.00 37.83 32.64 2ppo s LYS 35 CO 0.27 -0.22 0.30 1.97 -0.36 0.00 0.00 175.35 177.31 2ppo n PHE 36 N 3.17 0.00 -3.63 4.03 -1.74 0.06 -4.94 117.46 114.41 2ppo n PHE 36 Ca 0.07 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.86 2ppo n PHE 36 Cb 0.44 -0.04 -0.07 0.00 1.52 0.00 0.00 39.48 41.33 2ppo n PHE 36 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2ppo s ASP 37 N -2.03 -0.51 -0.29 5.98 2.15 -1.16 -5.02 116.67 115.79 2ppo s ASP 37 Ca 0.02 0.96 -0.13 0.00 0.43 0.00 0.00 52.55 53.83 2ppo s ASP 37 Cb 0.06 0.97 0.11 0.00 -0.30 0.00 0.00 42.92 43.76 2ppo s ASP 37 CO 0.33 -0.19 0.71 -0.55 -0.17 0.00 0.00 175.17 175.29 2ppo s SER 38 N 0.15 -0.98 0.46 -0.34 0.15 -1.26 -0.34 113.70 111.54 2ppo s SER 38 Ca 0.02 1.45 0.25 0.00 0.70 0.00 0.00 55.95 58.38 2ppo s SER 38 Cb -0.05 1.78 1.03 0.00 -1.71 0.00 0.00 66.02 67.07 2ppo s SER 38 CO -0.04 -0.22 1.87 0.77 1.20 0.00 0.00 173.24 176.83 2ppo h SER 39 N 7.39 0.00 0.19 5.45 4.64 -1.34 -2.83 113.55 127.05 2ppo h SER 39 Ca -0.24 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.00 2ppo h SER 39 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2ppo h SER 39 CO 0.13 0.19 -0.31 0.03 -0.87 0.00 0.00 176.83 176.00 2ppo h ARG 40 N 0.00 0.19 0.00 4.77 3.08 -1.84 -0.62 114.38 119.96 2ppo h ARG 40 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2ppo h ARG 40 Cb 0.68 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2ppo h ARG 40 CO 0.02 0.49 -0.13 -0.44 -1.07 0.00 0.00 179.97 178.84 2ppo h ASP 41 N 0.17 0.00 1.05 7.04 3.32 -1.82 -2.89 116.42 123.29 2ppo h ASP 41 Ca 0.02 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2ppo h ASP 41 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2ppo h ASP 41 CO 0.05 0.00 -0.23 0.54 -1.72 0.00 0.00 179.24 177.88 2ppo n ARG 42 N -2.95 0.16 -3.53 3.56 1.74 -0.96 -4.97 116.66 109.71 2ppo n ARG 42 Ca 0.04 0.09 -0.25 0.00 -0.77 0.00 0.00 57.85 56.96 2ppo n ARG 42 Cb 0.52 -1.65 0.06 0.00 -1.02 0.00 0.00 32.46 30.38 2ppo n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2ppo n ASN 43 N -1.90 -6.07 -3.67 0.55 3.02 -0.28 -5.00 115.26 101.90 2ppo n ASN 43 Ca 0.05 -0.52 -0.10 0.00 -0.03 0.00 0.00 54.58 53.98 2ppo n ASN 43 Cb 0.39 -4.81 -0.11 0.00 -0.61 0.00 0.00 39.78 34.64 2ppo n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2ppo s LYS 44 N -6.24 0.32 0.76 3.52 2.20 -1.01 -5.04 119.74 114.24 2ppo s LYS 44 Ca 0.54 0.89 -0.15 0.00 -0.36 0.00 0.00 55.97 56.90 2ppo s LYS 44 Cb -0.25 0.15 0.04 0.00 -1.51 0.00 0.00 37.83 36.26 2ppo s LYS 44 CO 0.67 -0.22 1.09 -2.30 -0.36 0.00 0.00 175.35 174.23 2ppo n PRO 45 N 4.97 0.39 -4.46 4.03 -0.02 -1.26 -4.69 135.00 133.95 2ppo n PRO 45 Ca -0.14 0.20 -0.35 0.00 -2.02 0.00 0.00 63.50 61.19 2ppo n PRO 45 Cb 0.51 -2.34 -0.10 0.00 -0.02 0.00 0.00 33.50 31.55 2ppo n PRO 45 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2ppo s PHE 46 N -1.94 3.08 -0.06 6.00 2.19 -0.09 -4.93 117.98 122.23 2ppo s PHE 46 Ca 0.74 0.12 0.04 0.00 0.33 0.00 0.00 56.93 58.15 2ppo s PHE 46 Cb -0.32 -1.77 -0.02 0.00 -1.31 0.00 0.00 43.02 39.60 2ppo s PHE 46 CO 0.50 0.40 -0.16 0.15 1.83 0.00 0.00 175.22 177.94 2ppo s LYS 47 N -0.80 2.64 0.03 10.12 1.02 -1.26 -0.68 119.74 130.81 2ppo s LYS 47 Ca 0.12 -0.74 -0.09 0.00 0.02 0.00 0.00 55.97 55.28 2ppo s LYS 47 Cb -0.11 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 2ppo s LYS 47 CO 0.02 0.51 0.19 -0.59 -0.92 0.00 0.00 175.35 174.56 2ppo s PHE 48 N -0.44 0.05 -0.28 3.18 -0.12 -0.65 -4.99 117.98 114.73 2ppo s PHE 48 Ca 0.05 -0.25 -0.19 0.00 -0.05 0.00 0.00 56.93 56.49 2ppo s PHE 48 Cb -0.12 -0.03 -0.02 0.00 -0.63 0.00 0.00 43.02 42.22 2ppo s PHE 48 CO 0.02 -0.41 0.58 1.41 -0.05 0.00 0.00 175.22 176.76 2ppo s MET 49 N -2.40 4.01 0.06 1.99 -2.45 -1.26 -0.69 119.30 118.56 2ppo s MET 49 Ca -0.06 0.35 -0.30 0.00 -1.25 0.00 0.00 55.69 54.43 2ppo s MET 49 Cb -0.02 -3.68 -0.09 0.00 1.25 0.00 0.00 34.83 32.29 2ppo s MET 49 CO -0.03 -0.45 1.80 -1.17 1.05 0.00 0.00 175.02 176.22 2ppo s LEU 50 N 2.45 4.39 0.00 4.11 0.20 -0.38 -1.96 118.68 127.49 2ppo s LEU 50 Ca 0.24 2.60 0.00 0.00 0.69 0.00 0.00 54.13 57.65 2ppo s LEU 50 Cb -0.15 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.06 2ppo s LEU 50 CO 0.10 -0.98 0.00 0.61 -0.29 0.00 0.00 176.35 175.79 2ppo n GLY 51 N 4.25 2.87 0.04 7.98 0.00 -1.26 -0.36 105.19 118.71 2ppo n GLY 51 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 2ppo n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ppo n LYS 52 N -1.05 0.08 -3.38 1.61 4.81 -0.83 -4.91 118.16 114.49 2ppo n LYS 52 Ca 0.00 0.17 -0.24 0.00 -0.87 0.00 0.00 58.31 57.37 2ppo n LYS 52 Cb 0.00 -1.62 0.03 0.00 0.02 0.00 0.00 35.03 33.47 2ppo n LYS 52 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2ppo n GLN 53 N -1.76 -5.25 0.00 1.64 6.02 -1.26 -4.89 117.38 111.88 2ppo n GLN 53 Ca 0.05 0.74 0.13 0.00 -0.01 0.00 0.00 57.00 57.91 2ppo n GLN 53 Cb 0.30 -5.61 0.29 0.00 1.02 0.00 0.00 30.24 26.24 2ppo n GLN 53 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 2ppo n GLU 54 N -4.27 1.85 -4.34 -1.09 0.28 -1.26 -4.90 120.64 106.91 2ppo n GLU 54 Ca -0.04 -1.34 -0.18 0.00 -0.16 0.00 0.00 57.16 55.45 2ppo n GLU 54 Cb 0.57 -1.47 -0.10 0.00 1.43 0.00 0.00 31.44 31.87 2ppo n GLU 54 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2ppo s VAL 55 N -2.08 1.48 0.57 3.84 -7.23 -1.26 -5.11 120.40 110.61 2ppo s VAL 55 Ca 0.31 -2.13 -0.21 0.00 -1.81 0.00 0.00 61.98 58.14 2ppo s VAL 55 Cb 0.20 -2.12 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 2ppo s VAL 55 CO 0.35 -0.54 1.22 2.30 -0.31 0.00 0.00 175.10 178.12 2ppo n ILE 56 N -0.38 3.87 -0.25 -0.62 -5.35 -1.26 -4.81 119.36 110.56 2ppo n ILE 56 Ca -0.08 -0.50 -0.02 0.00 -0.27 0.00 0.00 62.75 61.88 2ppo n ILE 56 Cb 0.61 -1.46 0.09 0.00 -1.74 0.00 0.00 39.64 37.14 2ppo n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 2ppo h ARG 57 N 1.05 0.80 -0.12 6.28 2.43 -1.82 -1.98 114.38 121.01 2ppo h ARG 57 Ca -0.50 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 58.58 2ppo h ARG 57 Cb 1.33 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2ppo h ARG 57 CO 0.55 0.53 -0.13 0.78 -1.51 0.00 0.00 179.97 180.18 2ppo h GLY 58 N 0.82 0.21 0.49 2.80 0.00 -1.24 0.59 103.07 106.73 2ppo h GLY 58 Ca 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 2ppo h GLY 58 CO -0.14 0.12 -0.03 -0.25 0.00 0.00 0.00 176.54 176.24 2ppo h TRP 59 N 0.18 0.06 -0.20 5.60 7.01 -1.61 -0.25 115.95 126.75 2ppo h TRP 59 Ca 0.04 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.03 2ppo h TRP 59 Cb 0.36 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.39 2ppo h TRP 59 CO 0.00 0.57 0.09 0.00 -2.79 0.00 0.00 178.44 176.32 2ppo h ALA 60 N 0.47 0.23 -0.25 2.65 0.00 -1.29 -1.09 119.26 119.99 2ppo h ALA 60 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2ppo h ALA 60 Cb 0.57 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2ppo h ALA 60 CO 0.01 -0.33 -0.27 0.93 0.00 0.00 0.00 179.25 179.59 2ppo h GLU 61 N 0.20 0.48 -0.25 0.00 5.08 -0.89 -0.99 114.58 118.21 2ppo h GLU 61 Ca 0.08 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2ppo h GLU 61 Cb 0.03 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2ppo h GLU 61 CO -0.06 0.71 0.06 0.78 -1.00 0.00 0.00 179.01 179.50 2ppo h GLY 62 N 1.03 0.44 1.54 -3.84 0.00 -0.84 -3.03 103.07 98.36 2ppo h GLY 62 Ca 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 2ppo h GLY 62 CO 0.05 0.26 0.14 -2.08 0.00 0.00 0.00 176.54 174.91 2ppo h VAL 63 N 0.23 1.17 0.00 4.60 2.07 -0.92 -1.88 116.25 121.52 2ppo h VAL 63 Ca 0.08 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 2ppo h VAL 63 Cb 0.28 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2ppo h VAL 63 CO 0.00 0.21 -0.04 0.00 0.02 0.00 0.00 177.57 177.76 2ppo h ALA 64 N 1.57 1.47 -0.01 1.67 0.00 -1.07 0.18 119.26 123.07 2ppo h ALA 64 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ppo h ALA 64 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2ppo h ALA 64 CO -0.01 0.05 -0.05 1.04 0.00 0.00 0.00 179.25 180.27 2ppo n GLN 65 N -3.81 1.45 -3.85 0.00 6.02 -0.71 -4.40 117.38 112.07 2ppo n GLN 65 Ca -0.03 -0.81 -0.29 0.00 -0.01 0.00 0.00 57.00 55.86 2ppo n GLN 65 Cb 0.13 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.87 2ppo n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2ppo s MET 66 N -2.11 3.48 0.21 -1.09 -1.94 0.05 -5.08 119.30 112.82 2ppo s MET 66 Ca 0.35 -0.42 0.05 0.00 -1.71 0.00 0.00 55.69 53.96 2ppo s MET 66 Cb 0.21 -2.95 -0.03 0.00 2.01 0.00 0.00 34.83 34.06 2ppo s MET 66 CO 0.38 0.52 0.31 -1.54 -0.01 0.00 0.00 175.02 174.68 2ppo s SER 67 N -2.84 6.18 0.19 3.03 1.04 -1.26 -4.10 113.70 115.95 2ppo s SER 67 Ca 0.36 0.05 -0.33 0.00 0.48 0.00 0.00 55.95 56.51 2ppo s SER 67 Cb -0.12 -1.79 -0.13 0.00 0.10 0.00 0.00 66.02 64.08 2ppo s SER 67 CO 0.28 -0.03 1.61 0.52 0.98 0.00 0.00 173.24 176.60 2ppo n VAL 68 N -1.10 0.17 0.00 5.02 0.31 -0.10 -1.07 118.33 121.56 2ppo n VAL 68 Ca -0.08 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2ppo n VAL 68 Cb 0.56 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 2ppo n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ppo n GLY 69 N 3.36 1.12 3.76 2.92 0.00 0.40 -1.40 105.19 115.34 2ppo n GLY 69 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2ppo n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ppo s GLN 70 N -0.84 4.78 -0.08 1.61 0.74 -0.24 -4.18 119.66 121.46 2ppo s GLN 70 Ca 0.00 1.43 0.04 0.00 0.05 0.00 0.00 55.36 56.88 2ppo s GLN 70 Cb 0.00 -3.18 -0.02 0.00 1.10 0.00 0.00 33.01 30.92 2ppo s GLN 70 CO 0.00 0.47 -0.19 0.50 -0.55 0.00 0.00 175.29 175.53 2ppo s ARG 71 N -1.36 2.78 0.07 1.67 3.52 -0.22 -0.93 118.95 124.48 2ppo s ARG 71 Ca 0.43 -0.79 -0.14 0.00 -0.13 0.00 0.00 55.73 55.09 2ppo s ARG 71 Cb -0.24 -2.35 0.02 0.00 -1.56 0.00 0.00 34.95 30.82 2ppo s ARG 71 CO 0.30 0.40 0.33 0.00 -0.81 0.00 0.00 175.30 175.52 2ppo s ALA 72 N -0.16 -0.74 -0.23 6.12 0.00 0.23 -0.19 121.76 126.79 2ppo s ALA 72 Ca -0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.74 2ppo s ALA 72 Cb -0.14 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 2ppo s ALA 72 CO 0.04 -0.49 0.44 0.21 0.00 0.00 0.00 175.76 175.95 2ppo s LYS 73 N -3.02 4.11 -0.31 0.00 2.20 0.10 -0.80 119.74 122.03 2ppo s LYS 73 Ca -0.02 0.23 -0.07 0.00 -0.36 0.00 0.00 55.97 55.75 2ppo s LYS 73 Cb 0.01 -3.60 0.01 0.00 -1.51 0.00 0.00 37.83 32.74 2ppo s LYS 73 CO -0.06 -0.19 0.10 -0.51 -0.36 0.00 0.00 175.35 174.33 2ppo s LEU 74 N 1.78 3.99 -0.35 5.43 1.43 0.97 -1.00 118.68 130.94 2ppo s LEU 74 Ca 0.19 -0.78 -0.16 0.00 -1.03 0.00 0.00 54.13 52.35 2ppo s LEU 74 Cb -0.15 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 2ppo s LEU 74 CO 0.09 -0.23 0.39 -0.89 0.23 0.00 0.00 176.35 175.94 2ppo s THR 75 N 1.49 5.14 -0.19 5.49 2.01 0.03 -0.88 115.64 128.73 2ppo s THR 75 Ca 0.02 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.07 2ppo s THR 75 Cb -0.18 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.48 2ppo s THR 75 CO 0.03 -0.13 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.06 2ppo s ILE 76 N 2.08 2.61 0.59 1.82 1.01 0.64 -1.21 121.20 128.73 2ppo s ILE 76 Ca 0.13 -0.76 -0.20 0.00 0.00 0.00 0.00 60.65 59.82 2ppo s ILE 76 Cb -0.16 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 2ppo s ILE 76 CO 0.12 0.49 1.27 -0.24 0.00 0.00 0.00 174.94 176.58 2ppo n SER 77 N 4.64 2.13 -0.04 3.58 2.88 -0.06 -1.17 113.62 125.58 2ppo n SER 77 Ca -0.20 0.90 0.17 0.00 -1.33 0.00 0.00 58.87 58.41 2ppo n SER 77 Cb 0.50 -1.54 0.62 0.00 -0.75 0.00 0.00 64.21 63.05 2ppo n SER 77 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2ppo h PRO 78 N 0.95 0.15 -0.03 -1.46 0.13 -1.82 -0.80 132.00 129.12 2ppo h PRO 78 Ca -0.50 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2ppo h PRO 78 Cb 1.33 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2ppo h PRO 78 CO 0.55 0.10 0.03 -0.44 -0.23 0.00 0.00 178.00 178.00 2ppo h ASP 79 N 0.16 0.00 -0.34 1.44 5.19 -1.90 0.19 116.42 121.16 2ppo h ASP 79 Ca 0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 2ppo h ASP 79 Cb 0.88 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.39 2ppo h ASP 79 CO -0.04 0.00 0.00 -1.22 -3.12 0.00 0.00 179.24 174.86 2ppo n TYR 80 N -4.13 0.93 0.00 4.55 4.02 -0.35 -4.83 117.16 117.35 2ppo n TYR 80 Ca -0.02 -0.74 0.00 0.00 -0.01 0.00 0.00 57.90 57.13 2ppo n TYR 80 Cb 0.12 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.20 2ppo n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ppo n ALA 81 N -0.02 0.00 0.15 -0.72 0.00 -0.42 -0.69 120.51 118.81 2ppo n ALA 81 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.71 2ppo n ALA 81 Cb 0.78 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.37 2ppo n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ppo n TYR 82 N 0.00 0.33 -4.54 0.00 4.02 -1.20 -4.77 117.16 111.00 2ppo n TYR 82 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 57.90 57.62 2ppo n TYR 82 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 2ppo n TYR 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ppo n GLY 83 N 0.81 -0.09 0.25 2.72 0.00 -0.08 -1.58 105.19 107.23 2ppo n GLY 83 Ca 0.12 -1.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.10 2ppo n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppo h ALA 84 N -0.54 1.19 0.00 4.61 0.00 -1.95 -1.22 119.26 121.35 2ppo h ALA 84 Ca 0.00 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 2ppo h ALA 84 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2ppo h ALA 84 CO 0.00 0.52 -0.89 1.79 0.00 0.00 0.00 179.25 180.67 2ppo h THR 85 N 0.47 1.55 -0.47 0.00 1.35 -1.92 -3.33 112.91 110.56 2ppo h THR 85 Ca 0.08 -3.13 0.00 0.00 -0.55 0.00 0.00 66.41 62.81 2ppo h THR 85 Cb 0.54 2.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 2ppo h THR 85 CO 0.03 0.87 0.00 0.61 -0.25 0.00 0.00 175.52 176.79 2ppo n GLY 86 N 1.25 0.28 2.66 5.82 0.00 -0.61 -4.36 105.19 110.23 2ppo n GLY 86 Ca 0.00 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 2ppo n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ppo s HIS 87 N 0.00 1.77 0.16 1.61 5.04 -0.11 -4.91 115.29 118.84 2ppo s HIS 87 Ca 0.00 -2.31 -0.34 0.00 -1.54 0.00 0.00 55.06 50.87 2ppo s HIS 87 Cb 0.00 -1.70 -0.15 0.00 0.04 0.00 0.00 32.58 30.78 2ppo s HIS 87 CO 0.00 -0.79 1.41 -2.30 -2.34 0.00 0.00 174.74 170.73 2ppo n PRO 88 N 3.55 1.68 0.00 2.88 -0.02 -1.25 -0.76 135.00 141.08 2ppo n PRO 88 Ca 0.11 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2ppo n PRO 88 Cb 0.36 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 2ppo n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ppo n GLY 89 N 2.69 3.15 1.32 -1.23 0.00 -1.26 -4.80 105.19 105.06 2ppo n GLY 89 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2ppo n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ppo n ILE 90 N -1.17 0.18 -4.09 -0.61 2.08 -0.26 -5.04 119.36 110.45 2ppo n ILE 90 Ca 0.00 0.06 -0.33 0.00 0.56 0.00 0.00 62.75 63.04 2ppo n ILE 90 Cb 0.00 -1.20 -0.16 0.00 -0.75 0.00 0.00 39.64 37.54 2ppo n ILE 90 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2ppo s ILE 91 N -2.00 2.22 0.94 1.39 -1.09 0.06 -4.98 121.20 117.74 2ppo s ILE 91 Ca 0.00 -0.99 -0.12 0.00 -2.23 0.00 0.00 60.65 57.31 2ppo s ILE 91 Cb 0.00 -1.99 0.15 0.00 -1.58 0.00 0.00 42.46 39.04 2ppo s ILE 91 CO 0.00 0.45 1.11 -2.16 -1.23 0.00 0.00 174.94 173.11 2ppo s PRO 92 N 1.29 0.91 0.40 2.79 0.04 -1.26 -0.93 135.00 138.24 2ppo s PRO 92 Ca 0.03 0.44 -0.27 0.00 0.04 0.00 0.00 61.00 61.24 2ppo s PRO 92 Cb -0.14 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 2ppo s PRO 92 CO -0.11 -2.39 1.47 -2.30 0.04 0.00 0.00 177.00 173.71 2ppo n PRO 93 N -3.92 2.54 -3.59 0.56 -0.02 -1.26 -3.17 135.00 126.13 2ppo n PRO 93 Ca 0.06 0.89 -0.26 0.00 -2.02 0.00 0.00 63.50 62.17 2ppo n PRO 93 Cb 0.58 -2.66 0.04 0.00 -0.02 0.00 0.00 33.50 31.44 2ppo n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2ppo n HIS 94 N 0.21 -2.37 -2.88 6.00 8.25 -0.47 -4.94 115.22 119.03 2ppo n HIS 94 Ca 0.03 0.82 -0.41 0.00 -0.26 0.00 0.00 57.72 57.90 2ppo n HIS 94 Cb 0.40 -4.29 -0.04 0.00 1.12 0.00 0.00 29.99 27.17 2ppo n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ppo s ALA 95 N -3.24 3.27 -0.01 -1.41 0.00 -1.19 -4.74 121.76 114.44 2ppo s ALA 95 Ca 0.55 0.36 -0.28 0.00 0.00 0.00 0.00 51.96 52.59 2ppo s ALA 95 Cb -0.26 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2ppo s ALA 95 CO 0.68 -0.10 0.91 0.99 0.00 0.00 0.00 175.76 178.23 2ppo s THR 96 N 0.59 4.90 0.18 0.00 2.01 -1.26 -2.99 115.64 119.08 2ppo s THR 96 Ca 0.44 1.90 0.09 0.00 0.31 0.00 0.00 61.69 64.43 2ppo s THR 96 Cb -0.20 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 2ppo s THR 96 CO 0.24 0.19 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.48 2ppo s LEU 97 N 0.92 2.87 -0.13 4.42 1.43 -0.32 -1.99 118.68 125.88 2ppo s LEU 97 Ca 0.48 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 2ppo s LEU 97 Cb -0.20 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.48 2ppo s LEU 97 CO 0.25 0.11 -0.12 -0.69 0.23 0.00 0.00 176.35 176.13 2ppo s VAL 98 N -1.71 1.37 -0.15 -1.59 1.01 -0.20 -0.26 120.40 118.87 2ppo s VAL 98 Ca 0.24 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 2ppo s VAL 98 Cb -0.09 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 2ppo s VAL 98 CO 0.14 0.42 -0.14 -0.36 0.00 0.00 0.00 175.10 175.16 2ppo s PHE 99 N 1.40 2.79 -0.44 5.22 0.40 -0.06 -0.65 117.98 126.65 2ppo s PHE 99 Ca 0.01 -0.96 -0.20 0.00 -0.60 0.00 0.00 56.93 55.18 2ppo s PHE 99 Cb -0.13 -1.89 0.02 0.00 0.51 0.00 0.00 43.02 41.53 2ppo s PHE 99 CO -0.07 -0.43 0.63 0.34 0.70 0.00 0.00 175.22 176.38 2ppo s ASP 100 N 0.76 6.31 -0.04 1.36 -1.08 -0.04 -0.02 116.67 123.92 2ppo s ASP 100 Ca -0.06 -0.37 0.05 0.00 -0.52 0.00 0.00 52.55 51.65 2ppo s ASP 100 Cb -0.15 -2.31 -0.01 0.00 -1.46 0.00 0.00 42.92 38.99 2ppo s ASP 100 CO 0.01 -0.77 -0.20 -0.69 0.52 0.00 0.00 175.17 174.04 2ppo s VAL 101 N 2.76 1.67 -0.14 1.11 1.01 0.02 -1.09 120.40 125.75 2ppo s VAL 101 Ca 0.22 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2ppo s VAL 101 Cb -0.14 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.82 2ppo s VAL 101 CO 0.19 0.47 -0.18 -0.70 0.00 0.00 0.00 175.10 174.88 2ppo s GLU 102 N -0.14 3.16 -0.55 2.72 2.12 0.51 -0.60 118.70 125.91 2ppo s GLU 102 Ca -0.01 -0.79 -0.24 0.00 0.36 0.00 0.00 54.97 54.29 2ppo s GLU 102 Cb -0.11 -2.52 0.04 0.00 0.26 0.00 0.00 34.13 31.80 2ppo s GLU 102 CO 0.02 0.06 0.91 -1.17 -0.54 0.00 0.00 175.26 174.54 2ppo s LEU 103 N 0.69 4.20 -0.10 2.70 2.96 -0.10 -1.43 118.68 127.59 2ppo s LEU 103 Ca -0.09 -0.45 -0.22 0.00 -0.22 0.00 0.00 54.13 53.15 2ppo s LEU 103 Cb -0.16 -2.76 -0.28 0.00 0.50 0.00 0.00 46.19 43.49 2ppo s LEU 103 CO 0.02 -1.21 0.70 -0.07 -1.32 0.00 0.00 176.35 174.47 2ppo h LEU 104 N 10.88 0.27 -7.51 -0.68 3.38 -1.01 0.12 115.31 120.75 2ppo h LEU 104 Ca -0.26 -0.89 0.15 0.00 0.09 0.00 0.00 57.88 56.96 2ppo h LEU 104 Cb 1.08 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.64 2ppo h LEU 104 CO 1.08 1.35 0.47 -1.59 0.09 0.00 0.00 178.44 179.84 2ppo s LYS 105 N -2.38 1.14 -0.01 1.13 -2.85 -1.12 -4.47 119.74 111.19 2ppo s LYS 105 Ca -0.18 -0.59 0.06 0.00 -1.00 0.00 0.00 55.97 54.26 2ppo s LYS 105 Cb 0.01 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 36.17 2ppo s LYS 105 CO 0.75 -0.52 -0.19 -0.51 0.10 0.00 0.00 175.35 174.99 2ppo s LEU 106 N -2.83 2.52 0.00 2.77 1.43 -1.26 -1.40 118.68 119.91 2ppo s LEU 106 Ca 0.10 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 2ppo s LEU 106 Cb -0.01 -1.49 0.00 0.00 0.03 0.00 0.00 46.19 44.72 2ppo s LEU 106 CO -0.01 0.30 0.02 -1.84 0.23 0.00 0.00 176.35 175.05