#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avm s GLN 2 N 0.00 3.40 -0.21 0.54 0.74 -1.26 -5.10 119.66 117.77 2avm s GLN 2 Ca 0.00 -0.67 0.01 0.00 0.05 0.00 0.00 55.36 54.75 2avm s GLN 2 Cb 0.00 -2.68 0.03 0.00 1.10 0.00 0.00 33.01 31.45 2avm s GLN 2 CO 0.00 0.18 -0.15 0.42 -0.55 0.00 0.00 175.29 175.19 2avm s ILE 3 N 0.46 2.31 0.84 -2.34 1.01 -1.26 -5.12 121.20 117.09 2avm s ILE 3 Ca -0.09 -1.04 -0.11 0.00 0.00 0.00 0.00 60.65 59.42 2avm s ILE 3 Cb -0.16 -2.08 0.14 0.00 0.01 0.00 0.00 42.46 40.37 2avm s ILE 3 CO 0.04 0.38 1.17 0.42 0.00 0.00 0.00 174.94 176.96 2avm s THR 4 N 1.28 2.08 -0.09 2.92 -4.23 -1.26 -5.03 115.64 111.31 2avm s THR 4 Ca 0.02 -0.16 0.13 0.00 -1.18 0.00 0.00 61.69 60.50 2avm s THR 4 Cb -0.15 -2.92 0.19 0.00 1.34 0.00 0.00 72.50 70.96 2avm s THR 4 CO -0.10 0.00 1.10 0.18 -0.54 0.00 0.00 174.62 175.26 2avm n LEU 5 N -3.34 2.20 0.18 4.79 4.77 -1.26 -4.60 117.00 119.73 2avm n LEU 5 Ca 0.12 -2.71 0.03 0.00 -0.03 0.00 0.00 56.01 53.42 2avm n LEU 5 Cb 0.60 -0.29 0.38 0.00 -2.33 0.00 0.00 43.42 41.78 2avm n LEU 5 CO 0.49 0.64 0.78 -0.50 -1.33 0.00 0.00 177.39 177.46 2avm h TRP 6 N 0.00 0.06 -1.87 -1.77 4.06 -2.06 -3.43 115.95 110.94 2avm h TRP 6 Ca 0.00 -0.01 -0.61 0.00 2.06 0.00 0.00 58.89 60.33 2avm h TRP 6 Cb 0.85 -0.02 -0.13 0.00 -1.00 0.00 0.00 29.16 28.87 2avm h TRP 6 CO 0.00 0.35 -0.64 0.15 -3.56 0.00 0.00 178.44 174.74 2avm s LYS 7 N -4.36 1.92 0.32 0.49 1.02 -1.26 -5.11 119.74 112.77 2avm s LYS 7 Ca -0.04 -1.92 -0.29 0.00 0.02 0.00 0.00 55.97 53.74 2avm s LYS 7 Cb 0.15 -1.76 -0.12 0.00 -0.52 0.00 0.00 37.83 35.58 2avm s LYS 7 CO 0.72 0.09 1.48 0.54 -0.92 0.00 0.00 175.35 177.27 2avm n ARG 8 N -0.88 2.50 -2.12 1.68 1.74 -1.26 -4.86 116.66 113.46 2avm n ARG 8 Ca -0.05 0.88 -0.42 0.00 -0.77 0.00 0.00 57.85 57.49 2avm n ARG 8 Cb 0.64 -2.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 2avm n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2avm n PRO 9 N 1.30 3.11 -3.14 5.56 -0.04 -1.26 -4.94 135.00 135.60 2avm n PRO 9 Ca 0.06 -3.02 -0.39 0.00 -0.04 0.00 0.00 63.50 60.11 2avm n PRO 9 Cb 0.37 -3.25 -0.06 0.00 -0.04 0.00 0.00 33.50 30.52 2avm n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2avm s LEU 10 N 2.14 4.45 0.21 1.53 1.43 -1.26 -1.21 118.68 125.96 2avm s LEU 10 Ca 0.47 1.27 0.04 0.00 -1.03 0.00 0.00 54.13 54.88 2avm s LEU 10 Cb 0.10 -3.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 2avm s LEU 10 CO -0.03 0.10 -0.03 0.68 0.23 0.00 0.00 176.35 177.31 2avm s VAL 11 N -0.29 1.07 -0.05 -1.59 -7.23 0.06 -4.97 120.40 107.40 2avm s VAL 11 Ca 0.33 -2.04 -0.17 0.00 -1.81 0.00 0.00 61.98 58.28 2avm s VAL 11 Cb -0.19 -2.23 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 2avm s VAL 11 CO 0.19 -0.42 0.48 -0.89 -0.31 0.00 0.00 175.10 174.15 2avm s THR 12 N -3.40 5.06 0.30 5.32 2.01 -1.26 -1.00 115.64 122.67 2avm s THR 12 Ca 0.26 0.97 0.10 0.00 0.31 0.00 0.00 61.69 63.33 2avm s THR 12 Cb 0.05 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 2avm s THR 12 CO 0.07 0.44 -0.04 0.27 -0.69 0.00 0.00 174.62 174.67 2avm s ILE 13 N -0.21 2.86 -0.09 1.82 -4.36 0.43 -0.97 121.20 120.68 2avm s ILE 13 Ca 0.26 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.60 2avm s ILE 13 Cb -0.16 -2.69 0.02 0.00 1.25 0.00 0.00 42.46 40.87 2avm s ILE 13 CO 0.13 -0.31 -0.10 -0.75 0.24 0.00 0.00 174.94 174.16 2avm s LYS 14 N -3.65 1.60 -0.09 0.37 2.20 -0.22 -1.28 119.74 118.67 2avm s LYS 14 Ca 0.33 -0.33 -0.06 0.00 -0.36 0.00 0.00 55.97 55.55 2avm s LYS 14 Cb -0.03 -1.49 0.04 0.00 -1.51 0.00 0.00 37.83 34.83 2avm s LYS 14 CO 0.18 -0.13 0.22 0.42 -0.36 0.00 0.00 175.35 175.69 2avm s ILE 15 N 1.22 -0.02 -1.86 5.43 1.01 -0.51 -1.33 121.20 125.13 2avm s ILE 15 Ca -0.04 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.70 2avm s ILE 15 Cb -0.14 -0.34 0.00 0.00 0.01 0.00 0.00 42.46 41.99 2avm s ILE 15 CO -0.03 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.56 2avm n GLY 16 N 3.71 -0.13 2.64 6.18 0.00 -1.26 -1.58 105.19 114.75 2avm n GLY 16 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2avm n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avm n GLY 17 N -0.92 0.75 3.43 -0.02 0.00 -1.26 -5.01 105.19 102.15 2avm n GLY 17 Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 2avm n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2avm s GLN 18 N -0.07 2.29 0.04 1.61 -1.52 -0.62 -5.11 119.66 116.28 2avm s GLN 18 Ca 0.00 -0.83 -0.23 0.00 -1.95 0.00 0.00 55.36 52.35 2avm s GLN 18 Cb 0.00 -2.24 -0.06 0.00 -0.22 0.00 0.00 33.01 30.49 2avm s GLN 18 CO 0.00 0.59 0.68 -0.51 -0.25 0.00 0.00 175.29 175.80 2avm s LEU 19 N -0.88 4.45 0.07 2.90 1.43 -1.26 -1.42 118.68 123.97 2avm s LEU 19 Ca 0.12 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 2avm s LEU 19 Cb -0.10 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 2avm s LEU 19 CO 0.01 0.09 -0.05 -0.54 0.23 0.00 0.00 176.35 176.09 2avm s LYS 20 N -0.28 0.70 0.03 1.70 1.02 -0.40 -4.98 119.74 117.52 2avm s LYS 20 Ca 0.35 -1.24 -0.14 0.00 0.02 0.00 0.00 55.97 54.95 2avm s LYS 20 Cb -0.20 0.02 -0.06 0.00 -0.52 0.00 0.00 37.83 37.07 2avm s LYS 20 CO 0.21 -0.07 0.42 -1.21 -0.92 0.00 0.00 175.35 173.78 2avm s GLU 21 N -3.77 3.90 0.09 1.68 0.41 -1.26 -0.43 118.70 119.31 2avm s GLU 21 Ca 0.08 0.38 -0.10 0.00 -0.41 0.00 0.00 54.97 54.93 2avm s GLU 21 Cb 0.06 -3.16 0.00 0.00 -1.78 0.00 0.00 34.13 29.25 2avm s GLU 21 CO -0.07 0.65 0.21 0.00 -0.49 0.00 0.00 175.26 175.57 2avm s ALA 22 N -1.16 -0.31 -0.25 5.21 0.00 -0.17 -4.57 121.76 120.51 2avm s ALA 22 Ca 0.26 -0.54 -0.11 0.00 0.00 0.00 0.00 51.96 51.58 2avm s ALA 22 Cb -0.16 0.50 -0.05 0.00 0.00 0.00 0.00 23.12 23.41 2avm s ALA 22 CO 0.15 -0.52 0.17 -1.17 0.00 0.00 0.00 175.76 174.38 2avm s LEU 23 N -2.83 4.08 -0.12 0.00 2.96 0.03 -0.76 118.68 122.03 2avm s LEU 23 Ca 0.04 0.08 -0.29 0.00 -0.22 0.00 0.00 54.13 53.74 2avm s LEU 23 Cb 0.04 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 2avm s LEU 23 CO -0.11 0.04 1.59 -0.63 -1.32 0.00 0.00 176.35 175.92 2avm s ILE 24 N 1.23 3.71 -0.40 6.68 1.01 -0.35 -0.90 121.20 132.17 2avm s ILE 24 Ca 0.07 0.84 0.02 0.00 0.00 0.00 0.00 60.65 61.58 2avm s ILE 24 Cb -0.14 -3.60 0.13 0.00 0.01 0.00 0.00 42.46 38.85 2avm s ILE 24 CO 0.06 -0.14 0.20 -0.62 0.00 0.00 0.00 174.94 174.43 2avm s ASP 25 N 3.49 3.80 0.59 3.58 -1.08 -0.17 -4.79 116.67 122.09 2avm s ASP 25 Ca 0.71 -2.38 0.37 0.00 -0.52 0.00 0.00 52.55 50.73 2avm s ASP 25 Cb -0.29 -1.03 1.74 0.00 -1.46 0.00 0.00 42.92 41.88 2avm s ASP 25 CO 0.27 -0.31 2.12 0.71 0.52 0.00 0.00 175.17 178.48 2avm h THR 26 N 5.60 0.00 -0.14 1.71 1.35 -1.93 -2.09 112.91 117.40 2avm h THR 26 Ca -0.04 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 2avm h THR 26 Cb 0.95 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2avm h THR 26 CO 0.48 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 2avm n GLY 27 N -0.36 -0.17 3.40 5.82 0.00 -1.26 -4.80 105.19 107.82 2avm n GLY 27 Ca -0.01 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 2avm n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2avm s ALA 28 N -1.81 2.82 0.22 4.61 0.00 -0.79 -5.00 121.76 121.82 2avm s ALA 28 Ca 0.23 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 2avm s ALA 28 Cb 0.12 -1.49 0.20 0.00 0.00 0.00 0.00 23.12 21.95 2avm s ALA 28 CO 0.17 0.03 1.75 -0.44 0.00 0.00 0.00 175.76 177.28 2avm h ASP 29 N 7.13 1.00 -2.52 0.00 3.32 -1.87 -0.00 116.42 123.48 2avm h ASP 29 Ca -0.32 -0.20 -0.54 0.00 0.02 0.00 0.00 57.03 55.98 2avm h ASP 29 Cb 1.19 -0.26 -0.13 0.00 0.22 0.00 0.00 39.33 40.34 2avm h ASP 29 CO 0.60 0.95 -0.62 -1.81 -1.72 0.00 0.00 179.24 176.64 2avm s ASP 30 N -6.48 3.08 -0.23 6.45 1.01 -1.26 -2.22 116.67 117.01 2avm s ASP 30 Ca -0.11 -1.35 -0.11 0.00 0.71 0.00 0.00 52.55 51.69 2avm s ASP 30 Cb 0.15 -0.23 -0.05 0.00 1.01 0.00 0.00 42.92 43.80 2avm s ASP 30 CO 0.83 -0.50 0.17 -0.89 0.21 0.00 0.00 175.17 175.00 2avm s THR 31 N -3.00 5.36 -0.08 -1.27 2.01 -1.26 -2.92 115.64 114.48 2avm s THR 31 Ca 0.35 0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.57 2avm s THR 31 Cb 0.08 -3.51 0.02 0.00 0.01 0.00 0.00 72.50 69.11 2avm s THR 31 CO 0.16 0.36 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.68 2avm s VAL 32 N 0.96 0.94 0.09 3.82 1.01 -0.38 -0.97 120.40 125.87 2avm s VAL 32 Ca 0.08 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 61.86 2avm s VAL 32 Cb -0.13 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 2avm s VAL 32 CO 0.04 0.33 -0.24 -0.63 0.00 0.00 0.00 175.10 174.60 2avm s ILE 33 N 1.25 1.96 0.95 2.22 -1.09 0.29 -0.79 121.20 126.00 2avm s ILE 33 Ca -0.04 -1.53 -0.11 0.00 -2.23 0.00 0.00 60.65 56.74 2avm s ILE 33 Cb -0.14 -1.74 0.14 0.00 -1.58 0.00 0.00 42.46 39.15 2avm s ILE 33 CO -0.03 0.11 1.01 -0.62 -1.23 0.00 0.00 174.94 174.18 2avm n GLU 34 N 1.28 -0.62 -1.59 2.79 1.02 -1.26 -1.83 120.64 120.43 2avm n GLU 34 Ca -0.18 -0.12 -0.56 0.00 -0.02 0.00 0.00 57.16 56.27 2avm n GLU 34 Cb 0.53 -2.27 -0.07 0.00 -0.02 0.00 0.00 31.44 29.61 2avm n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2avm n GLU 35 N -3.89 0.69 -3.84 3.49 4.07 -1.25 -4.65 120.64 115.25 2avm n GLU 35 Ca 0.10 0.25 -0.06 0.00 -0.06 0.00 0.00 57.16 57.39 2avm n GLU 35 Cb 0.53 -1.84 -0.02 0.00 -0.06 0.00 0.00 31.44 30.05 2avm n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2avm s MET 36 N 1.00 1.68 -0.14 5.31 0.23 -1.26 -5.06 119.30 121.05 2avm s MET 36 Ca 0.90 -0.93 -0.14 0.00 -1.03 0.00 0.00 55.69 54.49 2avm s MET 36 Cb -1.12 0.57 -0.05 0.00 -1.53 0.00 0.00 34.83 32.70 2avm s MET 36 CO 0.56 -0.77 0.32 0.45 -2.03 0.00 0.00 175.02 173.55 2avm s SER 37 N -2.93 6.50 0.13 -1.18 0.15 -1.26 -5.07 113.70 110.04 2avm s SER 37 Ca 0.11 0.59 0.07 0.00 0.70 0.00 0.00 55.95 57.42 2avm s SER 37 Cb -0.05 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 62.03 2avm s SER 37 CO 0.06 0.12 -0.17 -0.76 1.20 0.00 0.00 173.24 173.70 2avm s LEU 38 N 0.27 2.39 0.60 3.45 1.43 -1.26 -4.96 118.68 120.60 2avm s LEU 38 Ca 0.18 -0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 52.37 2avm s LEU 38 Cb -0.14 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 2avm s LEU 38 CO 0.06 -0.07 1.01 -2.16 0.23 0.00 0.00 176.35 175.42 2avm s PRO 39 N -2.54 3.63 0.56 1.29 0.04 -1.26 -4.95 135.00 131.77 2avm s PRO 39 Ca 0.10 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.89 2avm s PRO 39 Cb -0.06 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2avm s PRO 39 CO 0.04 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 176.97 2avm n GLY 40 N -2.60 -2.09 3.86 0.56 0.00 -1.26 -4.93 105.19 98.73 2avm n GLY 40 Ca 0.06 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 2avm n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2avm s ARG 41 N -0.13 3.90 0.25 1.61 0.52 -1.26 -5.10 118.95 118.75 2avm s ARG 41 Ca 0.00 0.59 0.09 0.00 -0.52 0.00 0.00 55.73 55.89 2avm s ARG 41 Cb 0.00 -2.40 -0.05 0.00 0.52 0.00 0.00 34.95 33.02 2avm s ARG 41 CO 0.00 0.05 -0.14 1.67 0.02 0.00 0.00 175.30 176.90 2avm s TRP 42 N -2.19 1.98 0.16 -0.53 1.48 -1.26 -4.69 118.94 113.89 2avm s TRP 42 Ca 0.53 -0.52 0.10 0.00 -1.06 0.00 0.00 56.10 55.14 2avm s TRP 42 Cb -0.10 -0.97 -0.04 0.00 -1.16 0.00 0.00 33.47 31.20 2avm s TRP 42 CO 0.24 0.46 -0.21 0.15 -4.06 0.00 0.00 176.95 173.53 2avm s LYS 43 N -3.62 1.35 0.41 3.25 1.02 -0.61 -4.91 119.74 116.63 2avm s LYS 43 Ca 0.27 -1.41 -0.22 0.00 0.02 0.00 0.00 55.97 54.64 2avm s LYS 43 Cb -0.01 -1.57 -0.11 0.00 -0.52 0.00 0.00 37.83 35.63 2avm s LYS 43 CO 0.11 0.34 0.94 -1.25 -0.92 0.00 0.00 175.35 174.57 2avm s PRO 44 N -2.56 4.27 -0.12 -1.68 0.04 -1.26 -0.73 135.00 132.96 2avm s PRO 44 Ca 0.16 1.14 -0.14 0.00 0.04 0.00 0.00 61.00 62.20 2avm s PRO 44 Cb -0.08 -2.27 0.04 0.00 0.04 0.00 0.00 34.50 32.23 2avm s PRO 44 CO 0.07 0.02 0.37 0.21 0.04 0.00 0.00 177.00 177.71 2avm s LYS 45 N -3.02 0.48 -0.16 4.56 2.20 -1.02 -4.85 119.74 117.92 2avm s LYS 45 Ca 0.60 0.43 -0.06 0.00 -0.36 0.00 0.00 55.97 56.58 2avm s LYS 45 Cb -0.10 0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 36.41 2avm s LYS 45 CO 0.15 -0.07 0.04 1.41 -0.36 0.00 0.00 175.35 176.52 2avm s MET 46 N -0.01 3.77 0.17 4.03 -2.45 -1.26 -1.03 119.30 122.52 2avm s MET 46 Ca -0.02 -0.36 0.07 0.00 -1.25 0.00 0.00 55.69 54.13 2avm s MET 46 Cb -0.03 -3.11 -0.04 0.00 1.25 0.00 0.00 34.83 32.89 2avm s MET 46 CO 0.01 0.36 -0.13 0.96 1.05 0.00 0.00 175.02 177.27 2avm s ILE 47 N 0.10 1.53 0.12 10.11 -4.36 -0.29 -4.98 121.20 123.43 2avm s ILE 47 Ca 0.04 -2.08 0.10 0.00 -0.26 0.00 0.00 60.65 58.45 2avm s ILE 47 Cb -0.12 -1.90 -0.04 0.00 1.25 0.00 0.00 42.46 41.65 2avm s ILE 47 CO 0.01 -0.59 -0.25 -0.83 0.24 0.00 0.00 174.94 173.52 2avm s GLY 48 N -3.11 1.46 0.00 6.27 0.00 -1.26 -0.83 107.32 109.86 2avm s GLY 48 Ca 0.18 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.52 2avm s GLY 48 CO 0.05 -1.37 0.00 0.61 0.00 0.00 0.00 173.10 172.38 2avm n GLY 49 N 1.00 4.64 0.36 0.20 0.00 -0.09 -5.00 105.19 106.32 2avm n GLY 49 Ca -0.18 -1.46 0.09 0.00 0.00 0.00 0.00 46.02 44.47 2avm n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2avm h ILE 50 N 0.34 0.93 -0.01 -0.61 6.09 -2.02 -3.04 117.51 119.18 2avm h ILE 50 Ca 0.00 -0.25 0.00 0.00 -1.37 0.00 0.00 64.86 63.24 2avm h ILE 50 Cb 0.00 0.13 0.00 0.00 0.47 0.00 0.00 36.82 37.42 2avm h ILE 50 CO 0.00 0.13 -0.66 0.61 -3.07 0.00 0.00 178.15 175.17 2avm n GLY 51 N -1.44 -0.35 0.00 8.18 0.00 -1.26 -5.08 105.19 105.24 2avm n GLY 51 Ca 0.14 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2avm n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avm n GLY 52 N 1.45 0.85 3.61 -0.02 0.00 -1.15 -5.13 105.19 104.80 2avm n GLY 52 Ca 0.07 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 2avm n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2avm s PHE 53 N -3.36 2.84 0.08 1.61 0.40 -1.26 -0.91 117.98 117.38 2avm s PHE 53 Ca 0.00 -0.09 0.03 0.00 -0.60 0.00 0.00 56.93 56.26 2avm s PHE 53 Cb 0.00 -1.51 -0.03 0.00 0.51 0.00 0.00 43.02 41.99 2avm s PHE 53 CO 0.00 0.42 -0.08 0.96 0.70 0.00 0.00 175.22 177.22 2avm s ILE 54 N -1.17 0.74 0.05 0.64 -4.36 -0.01 -4.98 121.20 112.11 2avm s ILE 54 Ca 0.21 -1.54 -0.22 0.00 -0.26 0.00 0.00 60.65 58.85 2avm s ILE 54 Cb -0.11 -1.21 -0.06 0.00 1.25 0.00 0.00 42.46 42.33 2avm s ILE 54 CO 0.13 -0.58 0.64 -0.54 0.24 0.00 0.00 174.94 174.83 2avm s LYS 55 N -2.68 4.35 0.21 0.37 1.02 -1.26 -1.13 119.74 120.62 2avm s LYS 55 Ca 0.02 0.85 0.01 0.00 0.02 0.00 0.00 55.97 56.87 2avm s LYS 55 Cb -0.03 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 2avm s LYS 55 CO -0.01 0.45 0.05 0.14 -0.92 0.00 0.00 175.35 175.06 2avm s VAL 56 N -0.52 0.57 -0.22 3.17 -7.23 -0.20 -4.54 120.40 111.43 2avm s VAL 56 Ca 0.32 -1.99 -0.10 0.00 -1.81 0.00 0.00 61.98 58.41 2avm s VAL 56 Cb -0.20 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 2avm s VAL 56 CO 0.20 -0.23 0.13 -0.13 -0.31 0.00 0.00 175.10 174.76 2avm s ARG 57 N -3.99 4.08 -0.29 4.82 0.52 -0.09 -2.42 118.95 121.58 2avm s ARG 57 Ca 0.31 -0.27 -0.12 0.00 -0.52 0.00 0.00 55.73 55.13 2avm s ARG 57 Cb 0.07 -3.44 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 2avm s ARG 57 CO 0.09 0.16 0.24 -1.14 0.02 0.00 0.00 175.30 174.67 2avm s GLN 58 N 0.75 3.87 -0.14 3.54 0.74 0.10 -0.79 119.66 127.73 2avm s GLN 58 Ca 0.07 -0.31 -0.02 0.00 0.05 0.00 0.00 55.36 55.15 2avm s GLN 58 Cb -0.13 -3.69 -0.02 0.00 1.10 0.00 0.00 33.01 30.27 2avm s GLN 58 CO 0.02 -0.26 -0.09 0.71 -0.55 0.00 0.00 175.29 175.12 2avm s TYR 59 N 1.83 2.90 0.13 1.67 1.51 -0.43 -1.57 117.35 123.39 2avm s TYR 59 Ca 0.09 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 2avm s TYR 59 Cb -0.16 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 2avm s TYR 59 CO 0.11 -0.13 0.24 -0.51 -1.11 0.00 0.00 175.55 174.15 2avm s ASP 60 N 0.33 6.17 -1.35 2.29 1.01 -1.26 -0.92 116.67 122.94 2avm s ASP 60 Ca -0.08 0.13 -0.07 0.00 0.71 0.00 0.00 52.55 53.24 2avm s ASP 60 Cb -0.15 -1.82 0.02 0.00 1.01 0.00 0.00 42.92 41.97 2avm s ASP 60 CO 0.05 0.08 1.10 1.67 0.21 0.00 0.00 175.17 178.28 2avm n GLN 61 N -0.32 -7.24 -3.20 8.23 7.27 -1.11 -4.90 117.38 116.11 2avm n GLN 61 Ca -0.07 0.79 -0.39 0.00 0.07 0.00 0.00 57.00 57.40 2avm n GLN 61 Cb 0.53 -5.80 -0.05 0.00 2.41 0.00 0.00 30.24 27.33 2avm n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2avm s ILE 62 N -3.34 5.03 -0.06 1.69 -1.09 -0.09 -4.65 121.20 118.69 2avm s ILE 62 Ca 0.46 1.21 -0.30 0.00 -2.23 0.00 0.00 60.65 59.79 2avm s ILE 62 Cb -0.21 -3.93 -0.03 0.00 -1.58 0.00 0.00 42.46 36.72 2avm s ILE 62 CO 0.75 0.35 1.12 -0.63 -1.23 0.00 0.00 174.94 175.30 2avm s ILE 63 N 0.30 4.46 -0.09 2.92 1.01 -1.26 -1.21 121.20 127.33 2avm s ILE 63 Ca 0.31 1.76 -0.09 0.00 0.00 0.00 0.00 60.65 62.63 2avm s ILE 63 Cb -0.17 -4.13 0.02 0.00 0.01 0.00 0.00 42.46 38.19 2avm s ILE 63 CO 0.15 0.02 0.25 -0.51 0.00 0.00 0.00 174.94 174.86 2avm s ILE 64 N 1.95 0.01 -0.11 2.92 2.07 -0.49 -4.48 121.20 123.06 2avm s ILE 64 Ca 0.53 -0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.70 2avm s ILE 64 Cb -0.23 -0.37 -0.03 0.00 0.13 0.00 0.00 42.46 41.96 2avm s ILE 64 CO 0.22 -0.03 -0.02 -1.61 -1.91 0.00 0.00 174.94 171.58 2avm s GLU 65 N -0.01 3.22 -0.27 3.50 2.02 -0.44 -0.91 118.70 125.81 2avm s GLU 65 Ca -0.01 -0.47 0.03 0.00 0.02 0.00 0.00 54.97 54.53 2avm s GLU 65 Cb -0.02 -2.81 0.07 0.00 0.10 0.00 0.00 34.13 31.46 2avm s GLU 65 CO 0.01 0.52 -0.07 0.42 0.02 0.00 0.00 175.26 176.15 2avm s ILE 66 N -0.38 2.01 -1.57 -1.63 1.01 0.21 -1.05 121.20 119.79 2avm s ILE 66 Ca 0.07 -1.64 -0.15 0.00 0.00 0.00 0.00 60.65 58.92 2avm s ILE 66 Cb -0.12 -2.21 0.11 0.00 0.01 0.00 0.00 42.46 40.24 2avm s ILE 66 CO 0.02 -0.15 0.88 0.00 0.00 0.00 0.00 174.94 175.69 2avm n ALA 67 N 4.47 -1.24 -0.16 9.38 0.00 -0.14 -0.83 120.51 131.99 2avm n ALA 67 Ca -0.11 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2avm n ALA 67 Cb 0.42 -4.06 0.00 0.00 0.00 0.00 0.00 19.45 15.81 2avm n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2avm n GLY 68 N -1.55 1.61 3.75 0.00 0.00 -1.26 -5.03 105.19 102.71 2avm n GLY 68 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2avm n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2avm s HIS 69 N -2.78 3.49 0.10 1.61 4.02 -0.01 -5.06 115.29 116.66 2avm s HIS 69 Ca 0.00 0.59 -0.27 0.00 1.02 0.00 0.00 55.06 56.40 2avm s HIS 69 Cb 0.00 -2.28 -0.06 0.00 -1.02 0.00 0.00 32.58 29.22 2avm s HIS 69 CO 0.00 0.32 0.86 0.15 1.02 0.00 0.00 174.74 177.09 2avm s LYS 70 N 0.19 4.62 0.06 1.40 1.02 -1.26 -0.62 119.74 125.15 2avm s LYS 70 Ca 0.16 1.27 0.00 0.00 0.02 0.00 0.00 55.97 57.42 2avm s LYS 70 Cb -0.13 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 2avm s LYS 70 CO 0.04 0.31 -0.04 0.00 -0.92 0.00 0.00 175.35 174.74 2avm s ALA 71 N -0.27 0.63 -0.15 5.17 0.00 -0.09 -4.79 121.76 122.25 2avm s ALA 71 Ca 0.42 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 51.14 2avm s ALA 71 Cb -0.22 0.22 0.06 0.00 0.00 0.00 0.00 23.12 23.18 2avm s ALA 71 CO 0.27 -0.30 0.12 0.42 0.00 0.00 0.00 175.76 176.27 2avm s ILE 72 N -3.56 -0.17 0.00 0.00 1.01 -1.26 -1.40 121.20 115.83 2avm s ILE 72 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2avm s ILE 72 Cb 0.05 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 42.02 2avm s ILE 72 CO -0.07 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.33 2avm n GLY 73 N 5.30 1.19 3.73 6.18 0.00 -0.35 -4.78 105.19 116.45 2avm n GLY 73 Ca -0.06 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 2avm n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2avm s THR 74 N -2.29 4.45 -0.08 2.61 2.01 -1.26 -0.91 115.64 120.17 2avm s THR 74 Ca 0.00 1.99 0.03 0.00 0.31 0.00 0.00 61.69 64.01 2avm s THR 74 Cb 0.00 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2avm s THR 74 CO 0.00 0.28 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.36 2avm s VAL 75 N 0.17 1.45 -0.10 3.82 1.01 -0.10 -4.51 120.40 122.13 2avm s VAL 75 Ca 0.49 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 2avm s VAL 75 Cb -0.24 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 2avm s VAL 75 CO 0.30 0.43 0.23 -0.76 0.00 0.00 0.00 175.10 175.30 2avm s LEU 76 N 0.62 4.37 -0.10 3.92 1.43 -0.15 -1.31 118.68 127.46 2avm s LEU 76 Ca -0.15 0.58 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 2avm s LEU 76 Cb -0.16 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.80 2avm s LEU 76 CO 0.05 0.31 -0.20 -0.69 0.23 0.00 0.00 176.35 176.04 2avm s VAL 77 N -0.63 1.79 -2.07 -1.59 1.01 0.03 -0.55 120.40 118.40 2avm s VAL 77 Ca 0.17 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2avm s VAL 77 Cb -0.13 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.67 2avm s VAL 77 CO 0.06 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2avm n GLY 78 N 3.74 -1.10 2.28 4.51 0.00 -0.76 -0.91 105.19 112.95 2avm n GLY 78 Ca -0.20 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 2avm n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2avm n PRO 79 N 0.00 3.52 -2.77 1.61 -0.04 -1.26 -3.95 135.00 132.10 2avm n PRO 79 Ca 0.00 -2.11 -0.36 0.00 -0.04 0.00 0.00 63.50 60.99 2avm n PRO 79 Cb 0.00 -2.67 -0.06 0.00 -0.04 0.00 0.00 33.50 30.72 2avm n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2avm s THR 80 N 1.75 4.22 0.03 0.52 -1.32 -1.26 -4.96 115.64 114.63 2avm s THR 80 Ca 0.68 1.69 0.26 0.00 -1.21 0.00 0.00 61.69 63.12 2avm s THR 80 Cb 0.20 -3.87 0.29 0.00 -1.51 0.00 0.00 72.50 67.61 2avm s THR 80 CO -0.06 -0.00 1.83 1.55 -2.21 0.00 0.00 174.62 175.73 2avm h PRO 81 N 2.76 0.00 -3.35 7.08 0.13 -1.98 -3.44 132.00 133.19 2avm h PRO 81 Ca -0.48 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.49 2avm h PRO 81 Cb 1.19 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.08 2avm h PRO 81 CO 0.64 0.14 -0.49 0.14 -0.23 0.00 0.00 178.00 178.20 2avm s VAL 82 N -3.56 0.03 0.13 1.56 -7.23 -1.26 -5.10 120.40 104.97 2avm s VAL 82 Ca 0.02 -0.22 -0.31 0.00 -1.81 0.00 0.00 61.98 59.65 2avm s VAL 82 Cb 0.09 -0.32 -0.08 0.00 0.56 0.00 0.00 36.38 36.62 2avm s VAL 82 CO 0.62 -0.12 1.44 0.20 -0.31 0.00 0.00 175.10 176.93 2avm s ASN 83 N -0.39 6.76 -0.03 4.85 0.01 -1.26 -4.82 114.94 120.05 2avm s ASN 83 Ca -0.05 2.41 0.04 0.00 -0.71 0.00 0.00 52.86 54.55 2avm s ASN 83 Cb -0.03 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 39.03 2avm s ASN 83 CO 0.01 -0.70 -0.15 0.27 -1.51 0.00 0.00 177.10 175.02 2avm s ILE 84 N 1.15 1.22 -0.36 0.60 -4.36 0.03 -0.79 121.20 118.68 2avm s ILE 84 Ca 0.66 -0.62 -0.12 0.00 -0.26 0.00 0.00 60.65 60.31 2avm s ILE 84 Cb -0.39 -1.04 0.00 0.00 1.25 0.00 0.00 42.46 42.29 2avm s ILE 84 CO 0.30 0.35 0.23 -0.63 0.24 0.00 0.00 174.94 175.44 2avm s ILE 85 N -0.06 4.99 0.28 8.37 -1.09 -0.08 -1.25 121.20 132.35 2avm s ILE 85 Ca -0.00 -0.52 0.04 0.00 -2.23 0.00 0.00 60.65 57.94 2avm s ILE 85 Cb -0.09 -3.67 0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2avm s ILE 85 CO 0.01 -0.13 0.34 0.61 -1.23 0.00 0.00 174.94 174.54 2avm n GLY 86 N 5.07 2.18 0.24 6.18 0.00 -1.15 -1.00 105.19 116.71 2avm n GLY 86 Ca -0.12 -2.19 0.08 0.00 0.00 0.00 0.00 46.02 43.78 2avm n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2avm h ARG 87 N 0.00 0.00 -0.65 1.61 3.08 -0.90 -1.01 114.38 116.52 2avm h ARG 87 Ca -0.14 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.97 2avm h ARG 87 Cb 0.61 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 2avm h ARG 87 CO 0.21 0.14 0.43 -2.95 -1.07 0.00 0.00 179.97 176.73 2avm h ASN 88 N 0.00 0.58 0.15 7.04 -1.07 -1.71 -1.78 115.58 118.79 2avm h ASN 88 Ca -0.00 0.00 -0.28 0.00 0.07 0.00 0.00 56.30 56.09 2avm h ASN 88 Cb 0.28 -0.12 -0.05 0.00 -2.07 0.00 0.00 38.32 36.35 2avm h ASN 88 CO 0.02 0.38 -2.12 0.18 0.07 0.00 0.00 177.43 175.96 2avm n LEU 89 N -4.47 0.23 -0.08 6.14 4.77 -0.76 -4.14 117.00 118.68 2avm n LEU 89 Ca 0.09 0.10 0.01 0.00 -0.03 0.00 0.00 56.01 56.18 2avm n LEU 89 Cb 0.22 0.33 0.30 0.00 -2.33 0.00 0.00 43.42 41.94 2avm n LEU 89 CO 0.34 0.37 1.09 -0.07 -1.33 0.00 0.00 177.39 177.79 2avm h LEU 90 N 0.00 0.63 -1.26 2.23 3.38 -0.99 -1.29 115.31 118.01 2avm h LEU 90 Ca -0.39 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 2avm h LEU 90 Cb 1.95 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 2avm h LEU 90 CO 0.03 0.55 -0.26 0.71 0.09 0.00 0.00 178.44 179.56 2avm h THR 91 N 0.70 1.23 0.00 0.22 1.35 -1.52 -1.53 112.91 113.36 2avm h THR 91 Ca 0.17 -1.09 -0.07 0.00 -0.55 0.00 0.00 66.41 64.87 2avm h THR 91 Cb 0.09 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 2avm h THR 91 CO -0.02 0.32 -0.36 1.56 -0.25 0.00 0.00 175.52 176.78 2avm h GLN 92 N 0.16 0.00 -0.33 4.72 4.20 -1.40 -2.77 115.11 119.68 2avm h GLN 92 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2avm h GLN 92 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2avm h GLN 92 CO 0.04 0.36 0.00 0.44 -0.67 0.00 0.00 178.83 178.99 2avm n ILE 93 N -3.96 0.43 -1.44 2.54 -5.35 -1.05 -4.96 119.36 105.58 2avm n ILE 93 Ca -0.02 -0.67 -0.02 0.00 -0.27 0.00 0.00 62.75 61.77 2avm n ILE 93 Cb 0.41 0.93 -0.01 0.00 -1.74 0.00 0.00 39.64 39.23 2avm n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2avm n GLY 94 N 1.45 0.44 3.76 3.28 0.00 -0.93 -5.00 105.19 108.18 2avm n GLY 94 Ca 0.19 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 2avm n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2avm s ALA 95 N -2.09 3.41 0.15 4.61 0.00 -0.62 -5.03 121.76 122.19 2avm s ALA 95 Ca 0.00 0.89 0.04 0.00 0.00 0.00 0.00 51.96 52.90 2avm s ALA 95 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2avm s ALA 95 CO 0.00 -0.18 -0.09 0.95 0.00 0.00 0.00 175.76 176.44 2avm s THR 96 N -1.00 1.11 -0.08 0.00 -4.23 -1.26 -4.73 115.64 105.45 2avm s THR 96 Ca 0.45 -2.05 -0.08 0.00 -1.18 0.00 0.00 61.69 58.84 2avm s THR 96 Cb -0.32 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 2avm s THR 96 CO 0.40 -0.72 0.20 -0.76 -0.54 0.00 0.00 174.62 173.20 2avm s LEU 97 N -3.17 4.40 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.77 2avm s LEU 97 Ca 0.17 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 2avm s LEU 97 Cb 0.03 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 44.00 2avm s LEU 97 CO 0.01 0.37 -0.01 0.20 0.23 0.00 0.00 176.35 177.15 2avm s ASN 98 N -1.16 0.27 0.00 2.29 0.01 -1.26 -5.30 114.94 109.79 2avm s ASN 98 Ca 0.19 -0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.31 2avm s ASN 98 Cb -0.13 -0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.43 2avm s ASN 98 CO 0.08 -0.04 0.00 2.22 -1.51 0.00 0.00 177.10 177.85