#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1npv s GLN 2 N 0.00 3.41 -0.20 0.54 0.74 -1.26 -5.09 119.66 117.79 1npv s GLN 2 Ca 0.00 -0.33 0.01 0.00 0.05 0.00 0.00 55.36 55.09 1npv s GLN 2 Cb 0.00 -3.01 0.04 0.00 1.10 0.00 0.00 33.01 31.13 1npv s GLN 2 CO 0.00 0.58 -0.14 0.42 -0.55 0.00 0.00 175.29 175.59 1npv s ILE 3 N -0.51 1.90 0.76 -2.34 1.01 -1.26 -5.12 121.20 115.64 1npv s ILE 3 Ca 0.10 -1.07 -0.12 0.00 0.00 0.00 0.00 60.65 59.56 1npv s ILE 3 Cb -0.12 -1.86 0.05 0.00 0.01 0.00 0.00 42.46 40.54 1npv s ILE 3 CO 0.02 0.30 1.13 0.42 0.00 0.00 0.00 174.94 176.81 1npv s THR 4 N 1.31 2.89 -0.22 2.92 -4.23 -1.26 -5.01 115.64 112.04 1npv s THR 4 Ca 0.00 0.29 0.14 0.00 -1.18 0.00 0.00 61.69 60.94 1npv s THR 4 Cb -0.15 -3.26 0.50 0.00 1.34 0.00 0.00 72.50 70.93 1npv s THR 4 CO -0.10 -0.38 1.42 0.18 -0.54 0.00 0.00 174.62 175.21 1npv n LEU 5 N -3.18 3.88 0.24 4.79 4.77 -1.26 -4.58 117.00 121.67 1npv n LEU 5 Ca 0.07 -3.32 0.09 0.00 -0.03 0.00 0.00 56.01 52.83 1npv n LEU 5 Cb 0.58 -0.57 0.61 0.00 -2.33 0.00 0.00 43.42 41.71 1npv n LEU 5 CO 0.57 0.90 0.93 -0.50 -1.33 0.00 0.00 177.39 177.96 1npv h TRP 6 N 1.34 0.00 -3.11 -1.77 4.06 -2.06 -3.43 115.95 110.97 1npv h TRP 6 Ca 0.09 0.00 -0.40 0.00 2.06 0.00 0.00 58.89 60.64 1npv h TRP 6 Cb 1.51 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.52 1npv h TRP 6 CO 0.67 0.16 -0.68 -0.65 -3.56 0.00 0.00 178.44 174.38 1npv s GLN 7 N -4.38 1.32 0.26 0.49 1.11 -1.26 -5.10 119.66 112.09 1npv s GLN 7 Ca -0.03 -1.64 -0.31 0.00 0.01 0.00 0.00 55.36 53.39 1npv s GLN 7 Cb 0.14 -0.81 -0.13 0.00 -1.01 0.00 0.00 33.01 31.20 1npv s GLN 7 CO 0.64 0.01 1.41 0.54 0.01 0.00 0.00 175.29 177.90 1npv n ARG 8 N -0.40 2.11 -2.61 2.91 1.74 -1.26 -4.86 116.66 114.29 1npv n ARG 8 Ca -0.07 0.75 -0.42 0.00 -0.77 0.00 0.00 57.85 57.35 1npv n ARG 8 Cb 0.62 -2.41 -0.02 0.00 -1.02 0.00 0.00 32.46 29.63 1npv n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1npv s PRO 9 N -0.58 3.66 -0.13 5.56 0.04 -1.26 -4.97 135.00 137.32 1npv s PRO 9 Ca 0.66 -1.35 -0.07 0.00 0.04 0.00 0.00 61.00 60.28 1npv s PRO 9 Cb -0.63 -5.34 -0.04 0.00 0.04 0.00 0.00 34.50 28.53 1npv s PRO 9 CO 0.51 -2.17 0.13 -0.51 0.04 0.00 0.00 177.00 175.00 1npv s LEU 10 N 4.58 4.29 0.19 -3.56 1.43 -1.26 -1.59 118.68 122.76 1npv s LEU 10 Ca 0.46 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.96 1npv s LEU 10 Cb 0.00 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 1npv s LEU 10 CO -0.07 0.36 0.05 0.68 0.23 0.00 0.00 176.35 177.60 1npv s VAL 11 N -0.74 0.47 -0.14 -1.59 -7.23 -0.44 -4.94 120.40 105.80 1npv s VAL 11 Ca 0.13 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 58.22 1npv s VAL 11 Cb -0.12 -2.25 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 1npv s VAL 11 CO 0.03 -0.33 0.24 -0.89 -0.31 0.00 0.00 175.10 173.84 1npv s THR 12 N -3.81 5.33 0.22 5.32 2.01 -1.26 -0.80 115.64 122.65 1npv s THR 12 Ca 0.28 0.44 0.09 0.00 0.31 0.00 0.00 61.69 62.81 1npv s THR 12 Cb 0.07 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 1npv s THR 12 CO 0.06 0.48 -0.16 0.27 -0.69 0.00 0.00 174.62 174.59 1npv s ILE 13 N -0.12 1.88 -0.12 1.82 -4.36 0.53 -3.20 121.20 117.62 1npv s ILE 13 Ca 0.15 -2.23 0.02 0.00 -0.26 0.00 0.00 60.65 58.34 1npv s ILE 13 Cb -0.13 -2.07 0.02 0.00 1.25 0.00 0.00 42.46 41.52 1npv s ILE 13 CO 0.04 -0.54 -0.17 -0.75 0.24 0.00 0.00 174.94 173.76 1npv s LYS 14 N -3.55 2.43 -0.12 0.37 2.20 0.01 -0.85 119.74 120.23 1npv s LYS 14 Ca 0.23 -0.63 -0.11 0.00 -0.36 0.00 0.00 55.97 55.10 1npv s LYS 14 Cb -0.02 -2.07 0.03 0.00 -1.51 0.00 0.00 37.83 34.26 1npv s LYS 14 CO 0.08 -0.09 0.33 -1.50 -0.36 0.00 0.00 175.35 173.81 1npv s ILE 15 N 1.05 0.00 -1.38 5.43 2.07 -0.55 -1.76 121.20 126.06 1npv s ILE 15 Ca -0.04 -0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.19 1npv s ILE 15 Cb -0.15 -0.46 0.00 0.00 0.13 0.00 0.00 42.46 41.98 1npv s ILE 15 CO -0.04 -0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.60 1npv n GLY 16 N 2.89 1.27 0.62 1.50 0.00 -1.26 -1.81 105.19 108.40 1npv n GLY 16 Ca -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1npv n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1npv n GLY 17 N -0.13 0.61 3.31 -0.02 0.00 -1.26 -5.07 105.19 102.64 1npv n GLY 17 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1npv n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1npv s GLN 18 N -0.79 1.22 0.14 1.61 0.00 -0.75 -5.14 119.66 115.95 1npv s GLN 18 Ca 0.00 -1.36 -0.16 0.00 -0.00 0.00 0.00 55.36 53.84 1npv s GLN 18 Cb 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 33.01 31.68 1npv s GLN 18 CO 0.00 0.26 0.58 -0.51 0.00 0.00 0.00 175.29 175.62 1npv s LEU 19 N -2.57 4.39 0.04 2.60 1.43 -1.26 -1.49 118.68 121.82 1npv s LEU 19 Ca 0.14 1.18 -0.07 0.00 -1.03 0.00 0.00 54.13 54.35 1npv s LEU 19 Cb -0.06 -3.23 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 1npv s LEU 19 CO 0.06 0.13 0.14 -0.54 0.23 0.00 0.00 176.35 176.37 1npv s LYS 20 N -1.75 0.65 -0.05 1.70 1.02 -0.03 -4.97 119.74 116.30 1npv s LYS 20 Ca 0.36 -0.74 -0.13 0.00 0.02 0.00 0.00 55.97 55.48 1npv s LYS 20 Cb -0.16 0.26 -0.05 0.00 -0.52 0.00 0.00 37.83 37.36 1npv s LYS 20 CO 0.19 -0.18 0.34 -2.00 -0.92 0.00 0.00 175.35 172.79 1npv s GLU 21 N -2.75 3.90 0.09 1.68 2.12 -1.26 -0.35 118.70 122.12 1npv s GLU 21 Ca -0.04 0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.56 1npv s GLU 21 Cb -0.00 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1npv s GLU 21 CO -0.05 0.61 -0.03 0.00 -0.54 0.00 0.00 175.26 175.25 1npv s ALA 22 N -0.74 0.78 -0.25 6.30 0.00 0.02 -4.47 121.76 123.40 1npv s ALA 22 Ca 0.21 -1.32 -0.09 0.00 0.00 0.00 0.00 51.96 50.76 1npv s ALA 22 Cb -0.15 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1npv s ALA 22 CO 0.10 -0.33 0.11 -1.17 0.00 0.00 0.00 175.76 174.47 1npv s LEU 23 N -3.00 3.70 -0.38 0.00 2.96 0.31 -1.33 118.68 120.94 1npv s LEU 23 Ca 0.12 -0.09 -0.29 0.00 -0.22 0.00 0.00 54.13 53.65 1npv s LEU 23 Cb 0.07 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.76 1npv s LEU 23 CO -0.06 -0.01 1.44 -0.76 -1.32 0.00 0.00 176.35 175.64 1npv s LEU 24 N 1.48 3.63 -0.31 -0.68 1.43 -0.62 -0.78 118.68 122.82 1npv s LEU 24 Ca 0.06 0.95 0.04 0.00 -1.03 0.00 0.00 54.13 54.15 1npv s LEU 24 Cb -0.15 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.62 1npv s LEU 24 CO 0.06 -1.40 -0.00 -0.62 0.23 0.00 0.00 176.35 174.61 1npv s ASP 25 N 3.99 4.66 0.52 2.29 3.68 -0.33 -4.80 116.67 126.67 1npv s ASP 25 Ca 0.63 -1.90 0.33 0.00 2.13 0.00 0.00 52.55 53.74 1npv s ASP 25 Cb -0.15 -1.60 1.39 0.00 -1.45 0.00 0.00 42.92 41.10 1npv s ASP 25 CO 0.31 -0.31 1.97 0.71 0.13 0.00 0.00 175.17 177.98 1npv h THR 26 N 6.66 0.00 -0.00 1.71 1.35 -1.93 -2.55 112.91 118.15 1npv h THR 26 Ca -0.09 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1npv h THR 26 Cb 1.03 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1npv h THR 26 CO 0.50 0.00 -0.04 0.61 -0.25 0.00 0.00 175.52 176.34 1npv n GLY 27 N -0.06 -0.83 3.52 5.82 0.00 -1.26 -4.79 105.19 107.58 1npv n GLY 27 Ca 0.01 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1npv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1npv s ALA 28 N -2.23 3.22 0.16 4.61 0.00 -0.96 -4.99 121.76 121.56 1npv s ALA 28 Ca 0.37 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 51.26 1npv s ALA 28 Cb 0.21 -1.95 0.04 0.00 0.00 0.00 0.00 23.12 21.42 1npv s ALA 28 CO 0.41 -0.15 1.65 -0.44 0.00 0.00 0.00 175.76 177.23 1npv h ASP 29 N 7.47 0.84 -2.46 0.00 3.45 -1.87 0.45 116.42 124.29 1npv h ASP 29 Ca -0.36 -0.26 -0.57 0.00 0.43 0.00 0.00 57.03 56.26 1npv h ASP 29 Cb 1.18 -0.22 -0.13 0.00 -0.56 0.00 0.00 39.33 39.59 1npv h ASP 29 CO 0.63 0.88 -0.54 -1.81 -1.57 0.00 0.00 179.24 176.83 1npv s ASP 30 N -6.26 3.06 -0.11 6.45 1.01 -1.26 -2.26 116.67 117.30 1npv s ASP 30 Ca -0.13 -1.60 -0.13 0.00 0.71 0.00 0.00 52.55 51.40 1npv s ASP 30 Cb 0.12 0.35 -0.05 0.00 1.01 0.00 0.00 42.92 44.35 1npv s ASP 30 CO 0.81 -0.83 0.31 -0.89 0.21 0.00 0.00 175.17 174.78 1npv s THR 31 N -3.13 5.26 -0.07 -1.27 2.01 -1.26 -3.50 115.64 113.69 1npv s THR 31 Ca 0.23 0.59 0.01 0.00 0.31 0.00 0.00 61.69 62.83 1npv s THR 31 Cb 0.04 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.94 1npv s THR 31 CO 0.12 0.46 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.74 1npv s VAL 32 N -0.10 0.94 0.18 3.82 1.01 -0.77 -0.45 120.40 125.03 1npv s VAL 32 Ca 0.18 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 61.94 1npv s VAL 32 Cb -0.14 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1npv s VAL 32 CO 0.06 0.32 -0.18 -0.76 0.00 0.00 0.00 175.10 174.54 1npv s LEU 33 N 0.97 2.64 0.79 3.92 1.43 0.32 -1.04 118.68 127.72 1npv s LEU 33 Ca -0.09 -0.74 -0.14 0.00 -1.03 0.00 0.00 54.13 52.13 1npv s LEU 33 Cb -0.15 -1.37 0.05 0.00 0.03 0.00 0.00 46.19 44.75 1npv s LEU 33 CO 0.00 0.12 1.03 -0.62 0.23 0.00 0.00 176.35 177.11 1npv n GLU 34 N 0.24 0.22 -1.60 1.70 1.02 -1.26 -2.27 120.64 118.70 1npv n GLU 34 Ca -0.12 0.14 -0.61 0.00 -0.02 0.00 0.00 57.16 56.55 1npv n GLU 34 Cb 0.55 -2.29 -0.09 0.00 -0.02 0.00 0.00 31.44 29.59 1npv n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1npv n GLU 35 N -2.62 0.54 -4.00 3.49 -0.58 -0.83 -4.56 120.64 112.07 1npv n GLU 35 Ca 0.13 0.18 -0.11 0.00 -0.42 0.00 0.00 57.16 56.94 1npv n GLU 35 Cb 0.50 -1.83 -0.03 0.00 -0.57 0.00 0.00 31.44 29.51 1npv n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1npv s MET 36 N 4.17 1.82 -0.11 3.49 0.23 -1.26 -5.02 119.30 122.62 1npv s MET 36 Ca 1.06 -1.49 -0.06 0.00 -1.03 0.00 0.00 55.69 54.17 1npv s MET 36 Cb -1.27 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 32.48 1npv s MET 36 CO 0.69 -0.78 0.10 0.45 -2.03 0.00 0.00 175.02 173.46 1npv s SER 37 N -3.12 6.09 -0.01 -1.18 0.15 -1.26 -5.03 113.70 109.35 1npv s SER 37 Ca 0.24 0.38 -0.02 0.00 0.70 0.00 0.00 55.95 57.26 1npv s SER 37 Cb -0.01 -1.92 -0.00 0.00 -1.71 0.00 0.00 66.02 62.37 1npv s SER 37 CO 0.14 0.40 0.03 -0.76 1.20 0.00 0.00 173.24 174.25 1npv s LEU 38 N -0.95 1.91 0.38 3.45 1.43 -1.26 -5.00 118.68 118.64 1npv s LEU 38 Ca 0.14 -0.10 -0.25 0.00 -1.03 0.00 0.00 54.13 52.90 1npv s LEU 38 Cb -0.12 0.19 -0.09 0.00 0.03 0.00 0.00 46.19 46.21 1npv s LEU 38 CO 0.03 -0.13 1.05 -2.16 0.23 0.00 0.00 176.35 175.38 1npv s PRO 39 N -0.52 4.23 0.00 1.29 0.04 -1.26 -4.91 135.00 133.86 1npv s PRO 39 Ca -0.06 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1npv s PRO 39 Cb -0.04 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1npv s PRO 39 CO -0.00 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.36 1npv n GLY 40 N 0.45 0.72 3.90 0.56 0.00 -1.26 -5.04 105.19 104.52 1npv n GLY 40 Ca 0.04 -2.22 -0.32 0.00 0.00 0.00 0.00 46.02 43.52 1npv n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1npv s ARG 41 N -1.05 3.63 0.19 1.61 3.52 -1.26 -5.11 118.95 120.48 1npv s ARG 41 Ca 0.00 -0.06 0.01 0.00 -0.13 0.00 0.00 55.73 55.55 1npv s ARG 41 Cb 0.00 -2.85 -0.05 0.00 -1.56 0.00 0.00 34.95 30.50 1npv s ARG 41 CO 0.00 0.46 0.04 1.67 -0.81 0.00 0.00 175.30 176.66 1npv s TRP 42 N -1.65 1.22 0.03 5.12 1.48 -1.26 -4.57 118.94 119.30 1npv s TRP 42 Ca 0.41 -1.11 0.06 0.00 -1.06 0.00 0.00 56.10 54.40 1npv s TRP 42 Cb -0.12 -0.69 -0.02 0.00 -1.16 0.00 0.00 33.47 31.47 1npv s TRP 42 CO 0.24 -0.32 -0.19 0.15 -4.06 0.00 0.00 176.95 172.77 1npv s LYS 43 N -3.98 1.33 0.61 3.25 -0.14 -0.94 -4.89 119.74 114.98 1npv s LYS 43 Ca 0.28 -0.84 -0.17 0.00 -1.36 0.00 0.00 55.97 53.88 1npv s LYS 43 Cb 0.07 -1.39 -0.03 0.00 -1.68 0.00 0.00 37.83 34.80 1npv s LYS 43 CO 0.06 0.36 1.14 -2.14 -0.76 0.00 0.00 175.35 174.01 1npv s PRO 44 N -0.98 3.01 0.08 -1.68 0.02 -1.26 -1.07 135.00 133.11 1npv s PRO 44 Ca 0.06 1.55 -0.26 0.00 0.02 0.00 0.00 61.00 62.38 1npv s PRO 44 Cb -0.08 -1.96 0.07 0.00 0.02 0.00 0.00 34.50 32.55 1npv s PRO 44 CO 0.01 -1.11 0.66 0.21 -0.33 0.00 0.00 177.00 176.44 1npv s LYS 45 N -3.66 1.16 -0.07 5.54 2.20 -0.82 -4.84 119.74 119.25 1npv s LYS 45 Ca 0.71 -0.23 0.03 0.00 -0.36 0.00 0.00 55.97 56.13 1npv s LYS 45 Cb -0.24 0.54 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 1npv s LYS 45 CO 0.35 -0.46 -0.17 -1.64 -0.36 0.00 0.00 175.35 173.06 1npv s MET 46 N -2.87 2.12 0.01 4.03 -1.94 -1.26 -1.13 119.30 118.25 1npv s MET 46 Ca -0.02 -0.61 0.06 0.00 -1.71 0.00 0.00 55.69 53.41 1npv s MET 46 Cb -0.01 -1.71 -0.02 0.00 2.01 0.00 0.00 34.83 35.10 1npv s MET 46 CO -0.06 0.14 -0.20 0.96 -0.01 0.00 0.00 175.02 175.86 1npv s ILE 47 N 0.36 1.57 0.06 2.53 -4.36 -0.94 -4.98 121.20 115.44 1npv s ILE 47 Ca -0.12 -0.97 0.01 0.00 -0.26 0.00 0.00 60.65 59.31 1npv s ILE 47 Cb -0.15 -1.33 -0.03 0.00 1.25 0.00 0.00 42.46 42.19 1npv s ILE 47 CO 0.05 0.34 -0.06 -0.83 0.24 0.00 0.00 174.94 174.68 1npv s GLY 48 N -0.73 0.56 0.00 6.27 0.00 -1.26 -1.80 107.32 110.35 1npv s GLY 48 Ca 0.07 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.75 1npv s GLY 48 CO 0.00 -1.13 0.00 0.61 0.00 0.00 0.00 173.10 172.58 1npv n GLY 49 N 0.66 2.50 3.72 0.20 0.00 -0.87 -5.00 105.19 106.40 1npv n GLY 49 Ca -0.17 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1npv n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1npv s ILE 50 N 0.71 2.95 0.00 -0.61 -1.09 -1.26 -2.60 121.20 119.30 1npv s ILE 50 Ca 0.00 0.71 0.00 0.00 -2.23 0.00 0.00 60.65 59.13 1npv s ILE 50 Cb 0.00 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.43 1npv s ILE 50 CO 0.00 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 1npv n GLY 51 N 3.30 1.06 0.00 6.18 0.00 -1.26 -4.93 105.19 109.53 1npv n GLY 51 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1npv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1npv n GLY 52 N -2.00 -0.17 3.62 -0.02 0.00 -1.07 -5.05 105.19 100.51 1npv n GLY 52 Ca 0.00 -2.13 -0.26 0.00 0.00 0.00 0.00 46.02 43.63 1npv n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1npv s PHE 53 N 0.00 2.74 0.05 1.61 0.08 -1.26 -2.06 117.98 119.14 1npv s PHE 53 Ca 0.00 -0.18 0.02 0.00 0.12 0.00 0.00 56.93 56.89 1npv s PHE 53 Cb 0.00 -1.32 -0.03 0.00 -0.57 0.00 0.00 43.02 41.10 1npv s PHE 53 CO 0.00 0.52 -0.08 0.96 -0.10 0.00 0.00 175.22 176.52 1npv s ILE 54 N -1.77 0.59 -0.15 0.64 -4.36 -0.75 -4.99 121.20 110.41 1npv s ILE 54 Ca 0.27 -1.20 -0.14 0.00 -0.26 0.00 0.00 60.65 59.32 1npv s ILE 54 Cb -0.09 -0.76 -0.05 0.00 1.25 0.00 0.00 42.46 42.81 1npv s ILE 54 CO 0.17 -0.44 0.29 -0.75 0.24 0.00 0.00 174.94 174.45 1npv s LYS 55 N -1.87 4.21 0.31 0.37 2.20 -1.26 -2.22 119.74 121.47 1npv s LYS 55 Ca -0.07 0.10 0.03 0.00 -0.36 0.00 0.00 55.97 55.67 1npv s LYS 55 Cb -0.08 -3.41 -0.06 0.00 -1.51 0.00 0.00 37.83 32.77 1npv s LYS 55 CO -0.00 0.28 0.07 0.14 -0.36 0.00 0.00 175.35 175.48 1npv s VAL 56 N 0.34 1.02 -0.18 4.02 -7.23 -0.28 -4.46 120.40 113.62 1npv s VAL 56 Ca 0.17 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.31 1npv s VAL 56 Cb -0.13 -2.74 -0.01 0.00 0.56 0.00 0.00 36.38 34.05 1npv s VAL 56 CO 0.04 0.00 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.62 1npv s ARG 57 N -3.92 3.39 -0.25 4.82 0.52 0.77 -1.94 118.95 122.34 1npv s ARG 57 Ca 0.36 -0.64 -0.18 0.00 -0.52 0.00 0.00 55.73 54.76 1npv s ARG 57 Cb 0.08 -2.86 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 1npv s ARG 57 CO 0.15 -0.03 0.50 -1.14 0.02 0.00 0.00 175.30 174.80 1npv s GLN 58 N 1.01 4.09 -0.04 3.54 0.74 -0.23 -0.99 119.66 127.78 1npv s GLN 58 Ca -0.00 0.31 0.04 0.00 0.05 0.00 0.00 55.36 55.75 1npv s GLN 58 Cb -0.15 -3.63 -0.03 0.00 1.10 0.00 0.00 33.01 30.31 1npv s GLN 58 CO -0.01 -0.29 -0.14 0.71 -0.55 0.00 0.00 175.29 175.01 1npv s TYR 59 N 2.11 2.71 0.27 1.67 1.51 0.15 -2.22 117.35 123.55 1npv s TYR 59 Ca 0.21 -0.15 0.06 0.00 -1.01 0.00 0.00 57.07 56.18 1npv s TYR 59 Cb -0.16 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 1npv s TYR 59 CO 0.09 0.20 0.32 -0.51 -1.11 0.00 0.00 175.55 174.54 1npv s ASP 60 N -0.80 5.90 -1.15 2.29 -0.00 -1.26 -0.97 116.67 120.68 1npv s ASP 60 Ca 0.12 -0.14 -0.28 0.00 -0.00 0.00 0.00 52.55 52.25 1npv s ASP 60 Cb -0.11 -1.51 0.03 0.00 -0.00 0.00 0.00 42.92 41.34 1npv s ASP 60 CO 0.01 -0.15 0.69 0.00 -0.00 0.00 0.00 175.17 175.71 1npv n GLN 61 N -1.37 -0.54 -3.99 8.23 6.02 -1.23 -4.91 117.38 119.58 1npv n GLN 61 Ca -0.06 0.23 -0.35 0.00 -0.01 0.00 0.00 57.00 56.81 1npv n GLN 61 Cb 0.58 -2.72 -0.09 0.00 1.02 0.00 0.00 30.24 29.02 1npv n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1npv s ILE 62 N -3.44 4.85 -0.18 5.09 -1.09 -0.16 -4.81 121.20 121.46 1npv s ILE 62 Ca 0.42 -0.01 -0.23 0.00 -2.23 0.00 0.00 60.65 58.60 1npv s ILE 62 Cb -0.22 -3.18 -0.02 0.00 -1.58 0.00 0.00 42.46 37.46 1npv s ILE 62 CO 0.95 0.47 0.74 -0.22 -1.23 0.00 0.00 174.94 175.65 1npv s LEU 63 N 0.26 4.16 -0.03 2.97 1.98 -1.26 -1.85 118.68 124.90 1npv s LEU 63 Ca 0.04 1.02 0.01 0.00 -2.89 0.00 0.00 54.13 52.31 1npv s LEU 63 Cb -0.12 -3.08 0.02 0.00 0.66 0.00 0.00 46.19 43.67 1npv s LEU 63 CO 0.00 -0.34 -0.05 -0.63 -1.89 0.00 0.00 176.35 173.44 1npv s ILE 64 N 2.04 0.53 -0.42 6.68 1.01 -0.33 -4.69 121.20 126.01 1npv s ILE 64 Ca 0.34 -0.16 -0.16 0.00 0.00 0.00 0.00 60.65 60.67 1npv s ILE 64 Cb -0.16 -0.53 0.02 0.00 0.01 0.00 0.00 42.46 41.80 1npv s ILE 64 CO 0.11 0.20 0.35 -0.70 0.00 0.00 0.00 174.94 174.91 1npv s GLU 65 N 0.63 3.01 -0.27 2.79 2.12 -0.72 -1.68 118.70 124.58 1npv s GLU 65 Ca -0.08 -0.94 -0.05 0.00 0.36 0.00 0.00 54.97 54.25 1npv s GLU 65 Cb -0.12 -3.98 0.01 0.00 0.26 0.00 0.00 34.13 30.30 1npv s GLU 65 CO 0.00 -0.79 0.03 0.42 -0.54 0.00 0.00 175.26 174.38 1npv s ILE 66 N 1.84 3.66 -1.22 -3.70 1.01 0.39 -0.81 121.20 122.37 1npv s ILE 66 Ca 0.07 -0.72 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 1npv s ILE 66 Cb -0.18 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 1npv s ILE 66 CO 0.11 0.16 0.76 0.00 0.00 0.00 0.00 174.94 175.97 1npv n GLY 68 N -1.55 -0.50 3.07 0.00 0.00 -1.26 -4.97 105.19 99.98 1npv n GLY 68 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1npv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1npv s HIS 69 N -2.86 1.66 -0.30 1.61 4.02 -0.50 -5.12 115.29 113.80 1npv s HIS 69 Ca 0.01 -0.61 -0.19 0.00 1.02 0.00 0.00 55.06 55.29 1npv s HIS 69 Cb -0.00 -1.18 -0.01 0.00 -1.02 0.00 0.00 32.58 30.36 1npv s HIS 69 CO 0.01 -0.28 0.55 0.15 1.02 0.00 0.00 174.74 176.19 1npv s LYS 70 N 0.51 3.89 0.06 1.40 1.02 -1.26 -0.46 119.74 124.89 1npv s LYS 70 Ca -0.14 0.18 0.06 0.00 0.02 0.00 0.00 55.97 56.09 1npv s LYS 70 Cb -0.15 -3.72 -0.03 0.00 -0.52 0.00 0.00 37.83 33.41 1npv s LYS 70 CO 0.04 -0.51 -0.16 0.00 -0.92 0.00 0.00 175.35 173.80 1npv s ALA 71 N 2.44 1.38 0.02 5.17 0.00 -0.67 -5.00 121.76 125.10 1npv s ALA 71 Ca 0.22 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.28 1npv s ALA 71 Cb -0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1npv s ALA 71 CO 0.11 0.27 -0.22 -1.50 0.00 0.00 0.00 175.76 174.42 1npv s ILE 72 N -0.97 1.76 -1.33 0.00 2.07 -1.26 -1.19 121.20 120.28 1npv s ILE 72 Ca 0.03 -1.11 0.00 0.00 -1.41 0.00 0.00 60.65 58.16 1npv s ILE 72 Cb -0.09 -1.49 0.00 0.00 0.13 0.00 0.00 42.46 41.01 1npv s ILE 72 CO 0.02 0.35 0.00 0.61 -1.91 0.00 0.00 174.94 174.01 1npv n GLY 73 N 2.14 -1.35 3.74 1.50 0.00 -0.77 -4.89 105.19 105.57 1npv n GLY 73 Ca -0.16 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 1npv n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1npv s THR 74 N -2.76 3.31 -0.07 2.61 2.01 -1.26 -0.99 115.64 118.49 1npv s THR 74 Ca 0.00 1.14 0.01 0.00 0.31 0.00 0.00 61.69 63.15 1npv s THR 74 Cb 0.00 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.80 1npv s THR 74 CO 0.00 0.20 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.36 1npv s VAL 75 N -0.28 0.90 -0.03 3.82 1.01 -0.14 -4.27 120.40 121.41 1npv s VAL 75 Ca 0.53 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 1npv s VAL 75 Cb -0.35 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1npv s VAL 75 CO 0.40 0.31 0.12 -0.76 0.00 0.00 0.00 175.10 175.17 1npv s LEU 76 N 0.96 4.11 -0.06 3.92 1.43 0.40 -0.67 118.68 128.77 1npv s LEU 76 Ca -0.10 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1npv s LEU 76 Cb -0.15 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.76 1npv s LEU 76 CO 0.00 0.30 -0.11 -0.69 0.23 0.00 0.00 176.35 176.08 1npv s VAL 77 N -1.19 1.06 0.00 -1.59 1.01 -0.16 -0.52 120.40 119.01 1npv s VAL 77 Ca 0.22 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 1npv s VAL 77 Cb -0.12 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.28 1npv s VAL 77 CO 0.13 0.34 0.02 0.61 0.00 0.00 0.00 175.10 176.20 1npv n GLY 78 N 3.88 0.75 2.21 4.51 0.00 -0.96 -0.17 105.19 115.42 1npv n GLY 78 Ca -0.23 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 44.78 1npv n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1npv n PRO 79 N -0.01 2.02 -2.83 1.61 -0.04 -1.26 -1.96 135.00 132.53 1npv n PRO 79 Ca 0.00 -1.13 -0.35 0.00 -0.04 0.00 0.00 63.50 61.98 1npv n PRO 79 Cb 0.01 -2.13 -0.07 0.00 -0.04 0.00 0.00 33.50 31.27 1npv n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1npv s THR 80 N 1.82 4.33 0.19 0.52 -1.32 -1.26 -4.95 115.64 114.96 1npv s THR 80 Ca 0.54 1.61 0.29 0.00 -1.21 0.00 0.00 61.69 62.93 1npv s THR 80 Cb 0.22 -3.80 0.32 0.00 -1.51 0.00 0.00 72.50 67.73 1npv s THR 80 CO -0.01 -0.08 1.95 -0.65 -2.21 0.00 0.00 174.62 173.62 1npv h PRO 81 N 2.56 0.00 -2.55 7.08 0.11 -1.99 -3.44 132.00 133.77 1npv h PRO 81 Ca -0.48 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1npv h PRO 81 Cb 1.19 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.10 1npv h PRO 81 CO 0.63 0.11 -0.05 0.54 -0.21 0.00 0.00 178.00 179.02 1npv s VAL 82 N -3.76 0.03 0.15 3.15 0.11 -1.26 -5.10 120.40 113.72 1npv s VAL 82 Ca 0.00 -0.25 -0.30 0.00 -2.93 0.00 0.00 61.98 58.50 1npv s VAL 82 Cb 0.10 -0.81 -0.08 0.00 -1.53 0.00 0.00 36.38 34.06 1npv s VAL 82 CO 0.58 -0.14 1.30 0.20 -3.33 0.00 0.00 175.10 173.71 1npv s ASN 83 N -1.30 6.93 -0.06 3.54 0.01 -1.26 -4.76 114.94 118.04 1npv s ASN 83 Ca -0.12 2.30 0.03 0.00 -0.71 0.00 0.00 52.86 54.36 1npv s ASN 83 Cb -0.03 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.04 1npv s ASN 83 CO 0.07 -0.54 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.33 1npv s ILE 84 N 0.53 1.44 -0.28 0.60 1.01 -0.21 -0.53 121.20 123.77 1npv s ILE 84 Ca 0.59 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 1npv s ILE 84 Cb -0.35 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 1npv s ILE 84 CO 0.34 0.42 0.13 -0.63 0.00 0.00 0.00 174.94 175.20 1npv s ILE 85 N 0.35 4.70 0.57 2.92 -1.09 0.04 -1.85 121.20 126.83 1npv s ILE 85 Ca -0.11 -0.14 0.06 0.00 -2.23 0.00 0.00 60.65 58.23 1npv s ILE 85 Cb -0.15 -3.27 0.07 0.00 -1.58 0.00 0.00 42.46 37.54 1npv s ILE 85 CO 0.04 0.23 0.78 -0.83 -1.23 0.00 0.00 174.94 173.93 1npv s GLY 86 N 1.66 1.79 0.36 6.18 0.00 -1.23 -1.18 107.32 114.90 1npv s GLY 86 Ca 0.06 -1.89 0.12 0.00 0.00 0.00 0.00 44.72 43.02 1npv s GLY 86 CO 0.07 -1.48 1.80 3.21 0.00 0.00 0.00 173.10 176.69 1npv h ARG 87 N 0.13 0.55 -0.62 2.90 3.08 -0.94 -0.56 114.38 118.91 1npv h ARG 87 Ca -0.34 -0.03 0.16 0.00 0.07 0.00 0.00 59.98 59.83 1npv h ARG 87 Cb 1.28 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 1npv h ARG 87 CO 0.43 0.37 0.43 -2.95 -1.07 0.00 0.00 179.97 177.18 1npv h ASN 88 N 0.57 0.12 0.00 7.04 -1.07 -1.70 -1.54 115.58 119.00 1npv h ASN 88 Ca 0.56 0.01 -0.36 0.00 0.07 0.00 0.00 56.30 56.57 1npv h ASN 88 Cb 1.13 -0.02 -0.07 0.00 -2.07 0.00 0.00 38.32 37.30 1npv h ASN 88 CO -0.31 0.06 -2.37 0.18 0.07 0.00 0.00 177.43 175.07 1npv n LEU 89 N -4.40 0.41 -0.31 6.14 4.77 -0.39 -4.34 117.00 118.89 1npv n LEU 89 Ca 0.12 -0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 56.06 1npv n LEU 89 Cb 0.60 0.30 0.10 0.00 -2.33 0.00 0.00 43.42 42.09 1npv n LEU 89 CO 0.36 0.55 1.22 -0.07 -1.33 0.00 0.00 177.39 178.11 1npv h LEU 90 N 0.00 0.93 -1.09 2.23 3.38 -0.59 -2.26 115.31 117.91 1npv h LEU 90 Ca -0.54 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.43 1npv h LEU 90 Cb 2.17 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 42.66 1npv h LEU 90 CO 0.01 0.65 0.61 0.71 0.09 0.00 0.00 178.44 180.51 1npv h THR 91 N 1.09 1.24 -0.17 0.22 1.35 -1.52 -2.22 112.91 112.90 1npv h THR 91 Ca 0.33 -0.44 -0.01 0.00 -0.55 0.00 0.00 66.41 65.74 1npv h THR 91 Cb -0.03 -0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 66.26 1npv h THR 91 CO -0.10 0.23 0.07 1.56 -0.25 0.00 0.00 175.52 177.03 1npv h GLN 92 N 1.25 0.22 -0.64 4.72 1.08 -1.60 -1.59 115.11 118.56 1npv h GLN 92 Ca 0.34 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.52 1npv h GLN 92 Cb -0.14 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.24 1npv h GLN 92 CO -0.07 0.19 0.00 0.44 -0.95 0.00 0.00 178.83 178.44 1npv n ILE 93 N -4.47 1.75 -3.51 2.54 -5.35 -1.02 -4.93 119.36 104.37 1npv n ILE 93 Ca -0.01 -1.05 -0.23 0.00 -0.27 0.00 0.00 62.75 61.20 1npv n ILE 93 Cb 0.11 -0.03 0.07 0.00 -1.74 0.00 0.00 39.64 38.06 1npv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1npv n GLY 94 N 0.90 -0.46 3.76 3.28 0.00 -0.60 -4.98 105.19 107.09 1npv n GLY 94 Ca 0.22 0.20 -0.39 0.00 0.00 0.00 0.00 46.02 46.06 1npv n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1npv s THR 96 N -0.20 0.74 -0.17 0.00 -4.23 -1.26 -4.65 115.64 105.87 1npv s THR 96 Ca 0.32 -1.95 -0.08 0.00 -1.18 0.00 0.00 61.69 58.80 1npv s THR 96 Cb -0.19 -1.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 1npv s THR 96 CO 0.18 -0.84 0.10 -0.22 -0.54 0.00 0.00 174.62 173.30 1npv s LEU 97 N -3.06 4.05 0.01 4.79 2.96 -1.26 -5.10 118.68 121.07 1npv s LEU 97 Ca 0.13 0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.27 1npv s LEU 97 Cb 0.05 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 1npv s LEU 97 CO -0.04 0.24 -0.07 0.20 -1.32 0.00 0.00 176.35 175.36 1npv s ASN 98 N 0.01 0.81 0.00 3.68 -0.87 -1.26 -5.30 114.94 112.01 1npv s ASN 98 Ca 0.08 -0.26 0.00 0.00 -1.57 0.00 0.00 52.86 51.11 1npv s ASN 98 Cb -0.12 -0.05 0.00 0.00 -0.02 0.00 0.00 41.25 41.07 1npv s ASN 98 CO 0.00 -0.01 0.00 2.22 -2.57 0.00 0.00 177.10 176.74