#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fle s GLN 2 N 0.00 3.39 -0.11 0.54 0.74 -1.26 -5.10 119.66 117.87 2fle s GLN 2 Ca 0.00 -0.27 0.01 0.00 0.05 0.00 0.00 55.36 55.15 2fle s GLN 2 Cb 0.00 -3.06 0.02 0.00 1.10 0.00 0.00 33.01 31.07 2fle s GLN 2 CO 0.00 0.65 -0.12 0.42 -0.55 0.00 0.00 175.29 175.70 2fle s ILE 3 N -0.70 1.27 0.76 -2.34 1.01 -1.26 -5.13 121.20 114.81 2fle s ILE 3 Ca 0.12 -0.48 -0.08 0.00 0.00 0.00 0.00 60.65 60.21 2fle s ILE 3 Cb -0.12 -1.21 0.09 0.00 0.01 0.00 0.00 42.46 41.24 2fle s ILE 3 CO 0.03 0.40 1.09 0.42 0.00 0.00 0.00 174.94 176.88 2fle s THR 4 N 1.28 2.17 -0.21 2.92 -4.23 -1.26 -5.03 115.64 111.28 2fle s THR 4 Ca -0.02 -0.22 0.14 0.00 -1.18 0.00 0.00 61.69 60.41 2fle s THR 4 Cb -0.14 -2.95 0.46 0.00 1.34 0.00 0.00 72.50 71.20 2fle s THR 4 CO -0.05 0.00 1.35 0.18 -0.54 0.00 0.00 174.62 175.57 2fle n LEU 5 N -3.11 3.49 0.25 4.79 4.77 -1.26 -4.56 117.00 121.37 2fle n LEU 5 Ca 0.10 -3.39 0.16 0.00 -0.03 0.00 0.00 56.01 52.85 2fle n LEU 5 Cb 0.60 -0.55 0.65 0.00 -2.33 0.00 0.00 43.42 41.79 2fle n LEU 5 CO 0.51 0.96 0.97 -0.50 -1.33 0.00 0.00 177.39 178.00 2fle h TRP 6 N 1.04 0.00 -3.13 -1.77 4.06 -2.07 -3.43 115.95 110.65 2fle h TRP 6 Ca 0.07 0.00 -0.39 0.00 2.06 0.00 0.00 58.89 60.63 2fle h TRP 6 Cb 1.37 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.38 2fle h TRP 6 CO 0.59 0.00 -0.71 -0.65 -3.56 0.00 0.00 178.44 174.12 2fle s GLN 7 N -3.60 1.24 0.25 0.49 -1.52 -1.26 -5.10 119.66 110.16 2fle s GLN 7 Ca 0.02 -1.57 -0.31 0.00 -1.95 0.00 0.00 55.36 51.55 2fle s GLN 7 Cb 0.09 -0.84 -0.12 0.00 -0.22 0.00 0.00 33.01 31.92 2fle s GLN 7 CO 0.52 0.08 1.64 0.54 -0.25 0.00 0.00 175.29 177.82 2fle n ARG 8 N -0.33 2.67 -2.05 2.91 1.74 -1.26 -4.85 116.66 115.49 2fle n ARG 8 Ca -0.08 0.96 -0.39 0.00 -0.77 0.00 0.00 57.85 57.56 2fle n ARG 8 Cb 0.61 -2.76 -0.02 0.00 -1.02 0.00 0.00 32.46 29.27 2fle n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2fle n PRO 9 N 3.01 2.48 -3.50 5.56 -0.04 -1.26 -4.95 135.00 136.30 2fle n PRO 9 Ca 0.12 -2.72 -0.37 0.00 -0.04 0.00 0.00 63.50 60.49 2fle n PRO 9 Cb 0.35 -3.42 -0.06 0.00 -0.04 0.00 0.00 33.50 30.33 2fle n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2fle s LEU 10 N 4.96 4.44 0.15 1.53 1.43 -1.26 -0.70 118.68 129.23 2fle s LEU 10 Ca 0.56 0.94 0.02 0.00 -1.03 0.00 0.00 54.13 54.62 2fle s LEU 10 Cb 0.07 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 2fle s LEU 10 CO 0.06 0.27 -0.01 0.68 0.23 0.00 0.00 176.35 177.58 2fle s VAL 11 N -1.18 0.63 -0.10 -1.59 -7.23 -0.20 -4.95 120.40 105.78 2fle s VAL 11 Ca 0.27 -1.96 -0.14 0.00 -1.81 0.00 0.00 61.98 58.34 2fle s VAL 11 Cb -0.16 -1.98 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 2fle s VAL 11 CO 0.15 -0.60 0.33 -0.89 -0.31 0.00 0.00 175.10 173.78 2fle s THR 12 N -3.68 5.24 0.17 5.32 2.01 -1.26 -0.94 115.64 122.50 2fle s THR 12 Ca 0.20 0.63 0.08 0.00 0.31 0.00 0.00 61.69 62.92 2fle s THR 12 Cb 0.06 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 2fle s THR 12 CO 0.01 0.47 -0.17 0.27 -0.69 0.00 0.00 174.62 174.51 2fle s ILE 13 N -0.20 1.77 -0.12 1.82 -4.36 0.61 -1.01 121.20 119.71 2fle s ILE 13 Ca 0.19 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 58.63 2fle s ILE 13 Cb -0.14 -1.86 0.01 0.00 1.25 0.00 0.00 42.46 41.72 2fle s ILE 13 CO 0.07 -0.38 -0.17 -0.75 0.24 0.00 0.00 174.94 173.95 2fle s LYS 14 N -2.97 2.49 -0.13 0.37 2.20 0.28 -1.41 119.74 120.57 2fle s LYS 14 Ca 0.17 -0.66 -0.10 0.00 -0.36 0.00 0.00 55.97 55.02 2fle s LYS 14 Cb -0.05 -2.09 0.04 0.00 -1.51 0.00 0.00 37.83 34.22 2fle s LYS 14 CO 0.06 -0.07 0.32 -1.50 -0.36 0.00 0.00 175.35 173.81 2fle s ILE 15 N 0.98 -0.01 -1.60 5.43 2.07 -0.39 -1.25 121.20 126.43 2fle s ILE 15 Ca -0.05 0.04 -0.01 0.00 -1.41 0.00 0.00 60.65 59.22 2fle s ILE 15 Cb -0.15 -0.47 0.00 0.00 0.13 0.00 0.00 42.46 41.98 2fle s ILE 15 CO -0.03 0.02 0.11 0.61 -1.91 0.00 0.00 174.94 173.74 2fle n GLY 16 N 3.34 -0.50 2.61 1.50 0.00 -1.26 -1.01 105.19 109.86 2fle n GLY 16 Ca -0.17 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2fle n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fle n GLY 17 N -1.06 0.48 3.52 -0.02 0.00 -1.26 -4.99 105.19 101.86 2fle n GLY 17 Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 2fle n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fle s GLN 18 N -0.47 1.87 -0.18 1.61 -0.21 -0.18 -5.13 119.66 116.98 2fle s GLN 18 Ca 0.00 -1.26 -0.09 0.00 0.02 0.00 0.00 55.36 54.03 2fle s GLN 18 Cb 0.00 -2.10 -0.05 0.00 1.00 0.00 0.00 33.01 31.86 2fle s GLN 18 CO 0.00 0.45 0.11 -0.51 -2.12 0.00 0.00 175.29 173.22 2fle s LEU 19 N -2.51 4.12 0.10 2.90 1.43 -1.26 -1.26 118.68 122.20 2fle s LEU 19 Ca 0.21 0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 53.49 2fle s LEU 19 Cb -0.09 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 2fle s LEU 19 CO 0.12 0.22 0.12 -0.54 0.23 0.00 0.00 176.35 176.50 2fle s LYS 20 N 0.09 0.86 -0.12 1.70 1.02 -0.50 -5.00 119.74 117.79 2fle s LYS 20 Ca 0.08 -1.18 -0.03 0.00 0.02 0.00 0.00 55.97 54.85 2fle s LYS 20 Cb -0.11 0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 37.45 2fle s LYS 20 CO -0.00 -0.25 0.00 -2.00 -0.92 0.00 0.00 175.35 172.18 2fle s GLU 21 N -3.94 3.35 0.03 1.68 2.12 -1.26 -0.28 118.70 120.39 2fle s GLU 21 Ca 0.12 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.03 2fle s GLU 21 Cb 0.06 -2.90 -0.02 0.00 0.26 0.00 0.00 34.13 31.52 2fle s GLU 21 CO -0.06 0.51 -0.04 0.00 -0.54 0.00 0.00 175.26 175.13 2fle s ALA 22 N -0.33 0.29 -0.15 6.30 0.00 -0.11 -4.54 121.76 123.20 2fle s ALA 22 Ca 0.07 -0.72 -0.24 0.00 0.00 0.00 0.00 51.96 51.07 2fle s ALA 22 Cb -0.12 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2fle s ALA 22 CO 0.02 -0.16 0.77 -1.17 0.00 0.00 0.00 175.76 175.22 2fle s LEU 23 N -1.70 4.20 -0.47 0.00 2.96 -0.11 -1.03 118.68 122.52 2fle s LEU 23 Ca -0.11 1.11 -0.28 0.00 -0.22 0.00 0.00 54.13 54.62 2fle s LEU 23 Cb -0.07 -3.14 0.01 0.00 0.50 0.00 0.00 46.19 43.49 2fle s LEU 23 CO -0.02 -0.32 1.37 -0.76 -1.32 0.00 0.00 176.35 175.30 2fle s LEU 24 N 1.82 3.53 -0.43 -0.68 1.43 0.12 -0.71 118.68 123.76 2fle s LEU 24 Ca 0.36 0.58 0.01 0.00 -1.03 0.00 0.00 54.13 54.06 2fle s LEU 24 Cb -0.17 -3.38 0.12 0.00 0.03 0.00 0.00 46.19 42.79 2fle s LEU 24 CO 0.13 -1.50 0.19 -0.62 0.23 0.00 0.00 176.35 174.78 2fle s ASP 25 N 3.86 4.88 0.56 2.29 -1.08 -0.48 -4.79 116.67 121.92 2fle s ASP 25 Ca 0.56 -2.39 0.37 0.00 -0.52 0.00 0.00 52.55 50.57 2fle s ASP 25 Cb -0.12 -1.72 1.81 0.00 -1.46 0.00 0.00 42.92 41.44 2fle s ASP 25 CO 0.30 -0.39 2.12 0.71 0.52 0.00 0.00 175.17 178.42 2fle h THR 26 N 6.14 0.00 -0.00 1.71 1.35 -1.93 -2.49 112.91 117.70 2fle h THR 26 Ca -0.07 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 2fle h THR 26 Cb 0.99 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2fle h THR 26 CO 0.63 0.00 -0.26 0.61 -0.25 0.00 0.00 175.52 176.25 2fle n GLY 27 N -0.59 -1.36 3.70 5.82 0.00 -1.26 -4.81 105.19 106.69 2fle n GLY 27 Ca -0.01 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 2fle n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fle s ALA 28 N -2.99 3.62 0.17 4.61 0.00 -0.94 -4.97 121.76 121.26 2fle s ALA 28 Ca 0.13 -0.68 -0.09 0.00 0.00 0.00 0.00 51.96 51.32 2fle s ALA 28 Cb 0.18 -2.34 0.03 0.00 0.00 0.00 0.00 23.12 21.00 2fle s ALA 28 CO 0.62 -0.04 1.55 -0.44 0.00 0.00 0.00 175.76 177.45 2fle h ASP 29 N 7.05 0.98 -1.66 0.00 3.32 -1.88 0.11 116.42 124.33 2fle h ASP 29 Ca -0.39 -0.39 -0.54 0.00 0.02 0.00 0.00 57.03 55.73 2fle h ASP 29 Cb 1.16 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 40.37 2fle h ASP 29 CO 0.72 1.17 -0.48 -1.81 -1.72 0.00 0.00 179.24 177.13 2fle s ASP 30 N -6.76 4.68 -0.21 6.45 1.01 -1.26 -2.84 116.67 117.74 2fle s ASP 30 Ca -0.11 -0.89 -0.07 0.00 0.71 0.00 0.00 52.55 52.19 2fle s ASP 30 Cb 0.12 -0.58 -0.03 0.00 1.01 0.00 0.00 42.92 43.44 2fle s ASP 30 CO 0.87 -0.50 0.05 -0.89 0.21 0.00 0.00 175.17 174.91 2fle s THR 31 N -2.51 4.40 -0.06 -1.27 2.01 -1.26 -2.94 115.64 114.01 2fle s THR 31 Ca 0.42 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.28 2fle s THR 31 Cb 0.00 -3.02 0.02 0.00 0.01 0.00 0.00 72.50 69.51 2fle s THR 31 CO 0.24 0.40 -0.07 0.54 -0.69 0.00 0.00 174.62 175.04 2fle s VAL 32 N 1.04 0.80 0.11 3.82 0.11 -0.37 -0.96 120.40 124.94 2fle s VAL 32 Ca 0.04 -0.26 0.08 0.00 -2.93 0.00 0.00 61.98 58.91 2fle s VAL 32 Cb -0.14 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 2fle s VAL 32 CO 0.03 0.29 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.16 2fle s LEU 33 N 0.93 2.77 0.99 2.54 1.43 0.80 0.07 118.68 128.21 2fle s LEU 33 Ca -0.10 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.36 2fle s LEU 33 Cb -0.15 -1.61 0.16 0.00 0.03 0.00 0.00 46.19 44.62 2fle s LEU 33 CO 0.01 0.18 0.93 -0.62 0.23 0.00 0.00 176.35 177.07 2fle n GLU 34 N 0.80 -0.96 -1.60 1.70 1.02 -1.26 -2.10 120.64 118.25 2fle n GLU 34 Ca -0.15 -0.23 -0.53 0.00 -0.02 0.00 0.00 57.16 56.24 2fle n GLU 34 Cb 0.53 -2.20 -0.06 0.00 -0.02 0.00 0.00 31.44 29.68 2fle n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2fle n GLU 35 N -3.86 1.16 -3.92 3.49 4.07 -1.14 -4.55 120.64 115.88 2fle n GLU 35 Ca 0.08 0.42 -0.08 0.00 -0.06 0.00 0.00 57.16 57.52 2fle n GLU 35 Cb 0.53 -2.07 -0.03 0.00 -0.06 0.00 0.00 31.44 29.81 2fle n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2fle s MET 36 N 0.80 1.72 -0.43 5.31 0.23 -1.26 -5.03 119.30 120.64 2fle s MET 36 Ca 0.86 -1.15 -0.21 0.00 -1.03 0.00 0.00 55.69 54.15 2fle s MET 36 Cb -0.96 0.55 0.02 0.00 -1.53 0.00 0.00 34.83 32.91 2fle s MET 36 CO 0.49 -0.76 0.67 0.45 -2.03 0.00 0.00 175.02 173.83 2fle s SER 37 N -2.98 6.35 0.03 -1.18 0.15 -1.26 -5.05 113.70 109.76 2fle s SER 37 Ca 0.17 -0.22 0.06 0.00 0.70 0.00 0.00 55.95 56.66 2fle s SER 37 Cb -0.04 -2.33 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 2fle s SER 37 CO 0.09 -0.77 -0.19 -0.76 1.20 0.00 0.00 173.24 172.81 2fle s LEU 38 N 2.88 2.13 0.40 3.45 1.43 -1.26 -4.87 118.68 122.85 2fle s LEU 38 Ca 0.24 -0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 2fle s LEU 38 Cb -0.14 -0.89 -0.05 0.00 0.03 0.00 0.00 46.19 45.14 2fle s LEU 38 CO 0.19 0.15 0.70 -2.16 0.23 0.00 0.00 176.35 175.47 2fle s PRO 39 N -0.97 3.62 0.02 1.29 0.04 -1.26 -5.01 135.00 132.73 2fle s PRO 39 Ca 0.06 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.28 2fle s PRO 39 Cb -0.08 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.99 2fle s PRO 39 CO 0.01 -0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.44 2fle n GLY 40 N -1.63 -3.75 3.82 0.56 0.00 -1.26 -5.00 105.19 97.93 2fle n GLY 40 Ca -0.00 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 2fle n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fle s LYS 41 N -0.81 3.57 0.09 1.61 1.02 -1.26 -5.08 119.74 118.88 2fle s LYS 41 Ca 0.00 1.10 -0.12 0.00 0.02 0.00 0.00 55.97 56.96 2fle s LYS 41 Cb 0.00 -2.07 0.01 0.00 -0.52 0.00 0.00 37.83 35.25 2fle s LYS 41 CO 0.00 -0.60 0.28 1.67 -0.92 0.00 0.00 175.35 175.79 2fle s TRP 42 N -2.54 -0.02 -0.06 3.18 1.48 -1.26 -4.68 118.94 115.04 2fle s TRP 42 Ca 0.62 -0.32 0.05 0.00 -1.06 0.00 0.00 56.10 55.38 2fle s TRP 42 Cb -0.13 0.08 -0.00 0.00 -1.16 0.00 0.00 33.47 32.25 2fle s TRP 42 CO 0.35 -0.59 -0.21 0.15 -4.06 0.00 0.00 176.95 172.59 2fle s LYS 43 N -3.59 2.37 0.15 3.25 1.02 -0.43 -4.85 119.74 117.65 2fle s LYS 43 Ca 0.02 -0.77 -0.31 0.00 0.02 0.00 0.00 55.97 54.93 2fle s LYS 43 Cb 0.03 -1.95 -0.09 0.00 -0.52 0.00 0.00 37.83 35.29 2fle s LYS 43 CO -0.10 0.27 1.50 -1.25 -0.92 0.00 0.00 175.35 174.85 2fle s PRO 44 N 0.07 4.26 0.16 -1.68 0.04 -1.26 -0.14 135.00 136.45 2fle s PRO 44 Ca -0.08 2.26 0.01 0.00 0.04 0.00 0.00 61.00 63.23 2fle s PRO 44 Cb -0.14 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 2fle s PRO 44 CO 0.04 -0.53 0.00 0.21 0.04 0.00 0.00 177.00 176.76 2fle s LYS 45 N 1.03 1.07 -0.11 4.56 2.20 -0.18 -4.90 119.74 123.42 2fle s LYS 45 Ca 0.67 -1.51 0.01 0.00 -0.36 0.00 0.00 55.97 54.79 2fle s LYS 45 Cb -0.41 -0.21 0.02 0.00 -1.51 0.00 0.00 37.83 35.72 2fle s LYS 45 CO 0.32 -0.13 -0.13 1.41 -0.36 0.00 0.00 175.35 176.45 2fle s MET 46 N -3.92 2.02 0.16 4.03 -2.45 -1.26 -0.97 119.30 116.90 2fle s MET 46 Ca 0.23 -0.48 0.11 0.00 -1.25 0.00 0.00 55.69 54.30 2fle s MET 46 Cb 0.06 -1.80 -0.04 0.00 1.25 0.00 0.00 34.83 34.30 2fle s MET 46 CO 0.03 -0.12 -0.24 0.96 1.05 0.00 0.00 175.02 176.70 2fle s ILE 47 N 1.17 2.19 0.47 10.11 -4.36 -0.88 -4.98 121.20 124.93 2fle s ILE 47 Ca -0.03 -1.86 0.06 0.00 -0.26 0.00 0.00 60.65 58.56 2fle s ILE 47 Cb -0.14 -1.98 -0.01 0.00 1.25 0.00 0.00 42.46 41.57 2fle s ILE 47 CO -0.04 -0.05 0.24 -0.83 0.24 0.00 0.00 174.94 174.51 2fle s GLY 48 N -2.34 2.44 0.00 6.27 0.00 -1.26 -1.67 107.32 110.76 2fle s GLY 48 Ca 0.16 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.34 2fle s GLY 48 CO 0.07 -1.95 0.00 0.61 0.00 0.00 0.00 173.10 171.83 2fle n GLY 49 N -1.45 -0.66 3.74 0.20 0.00 -0.24 -4.97 105.19 101.81 2fle n GLY 49 Ca -0.04 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 2fle n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fle s ILE 50 N -3.00 2.99 0.00 -0.61 -1.09 -1.26 -2.52 121.20 115.71 2fle s ILE 50 Ca 0.00 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.23 2fle s ILE 50 Cb 0.00 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 2fle s ILE 50 CO 0.00 0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.44 2fle n GLY 51 N 2.46 2.91 0.00 6.18 0.00 -1.26 -4.91 105.19 110.57 2fle n GLY 51 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2fle n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fle n GLY 52 N -2.00 0.29 3.36 -0.02 0.00 -1.05 -5.10 105.19 100.67 2fle n GLY 52 Ca 0.00 -1.49 -0.19 0.00 0.00 0.00 0.00 46.02 44.34 2fle n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2fle s PHE 53 N -2.01 1.70 0.02 1.61 -0.71 -1.26 -1.08 117.98 116.25 2fle s PHE 53 Ca 0.00 -0.78 -0.01 0.00 -1.04 0.00 0.00 56.93 55.10 2fle s PHE 53 Cb 0.00 -0.95 -0.02 0.00 -1.21 0.00 0.00 43.02 40.84 2fle s PHE 53 CO 0.00 0.14 -0.01 0.96 -1.34 0.00 0.00 175.22 174.97 2fle s ILE 54 N -3.20 0.13 -0.11 -4.49 -4.36 -0.67 -5.00 121.20 103.50 2fle s ILE 54 Ca 0.27 -1.05 -0.14 0.00 -0.26 0.00 0.00 60.65 59.47 2fle s ILE 54 Cb 0.04 -0.52 -0.05 0.00 1.25 0.00 0.00 42.46 43.18 2fle s ILE 54 CO 0.09 -0.58 0.34 -0.54 0.24 0.00 0.00 174.94 174.48 2fle s LYS 55 N -1.93 4.10 0.26 0.37 1.02 -1.26 -2.06 119.74 120.24 2fle s LYS 55 Ca -0.11 0.21 0.01 0.00 0.02 0.00 0.00 55.97 56.10 2fle s LYS 55 Cb -0.06 -3.35 -0.05 0.00 -0.52 0.00 0.00 37.83 33.85 2fle s LYS 55 CO -0.02 0.39 0.11 0.14 -0.92 0.00 0.00 175.35 175.05 2fle s VAL 56 N -0.05 0.49 -0.17 3.17 -7.23 -0.14 -4.36 120.40 112.11 2fle s VAL 56 Ca 0.20 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.29 2fle s VAL 56 Cb -0.14 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 2fle s VAL 56 CO 0.07 0.00 0.07 -0.13 -0.31 0.00 0.00 175.10 174.80 2fle s ARG 57 N -4.02 3.88 -0.27 4.82 0.52 0.76 -1.01 118.95 123.63 2fle s ARG 57 Ca 0.38 -0.32 -0.11 0.00 -0.52 0.00 0.00 55.73 55.16 2fle s ARG 57 Cb 0.07 -3.19 -0.05 0.00 0.52 0.00 0.00 34.95 32.30 2fle s ARG 57 CO 0.14 0.35 0.18 -1.14 0.02 0.00 0.00 175.30 174.85 2fle s GLN 58 N 0.15 3.95 -0.15 3.54 0.74 0.80 -1.11 119.66 127.59 2fle s GLN 58 Ca 0.05 -0.32 -0.01 0.00 0.05 0.00 0.00 55.36 55.13 2fle s GLN 58 Cb -0.12 -3.63 -0.01 0.00 1.10 0.00 0.00 33.01 30.35 2fle s GLN 58 CO 0.00 -0.14 -0.10 0.71 -0.55 0.00 0.00 175.29 175.21 2fle s TYR 59 N 1.65 2.87 0.27 1.67 2.02 -0.47 -1.32 117.35 124.05 2fle s TYR 59 Ca 0.07 -0.67 0.08 0.00 -0.37 0.00 0.00 57.07 56.17 2fle s TYR 59 Cb -0.16 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 2fle s TYR 59 CO 0.10 -0.26 0.18 -0.51 -1.57 0.00 0.00 175.55 173.49 2fle s ASP 60 N 0.59 5.31 -1.39 2.29 1.11 -1.26 -0.30 116.67 123.02 2fle s ASP 60 Ca -0.06 -0.38 -0.05 0.00 0.18 0.00 0.00 52.55 52.24 2fle s ASP 60 Cb -0.15 -1.22 0.03 0.00 1.07 0.00 0.00 42.92 42.65 2fle s ASP 60 CO 0.03 -0.10 0.80 0.00 1.18 0.00 0.00 175.17 177.07 2fle n GLN 61 N -1.18 -5.13 -3.53 8.23 6.02 -1.15 -4.90 117.38 115.75 2fle n GLN 61 Ca -0.06 0.61 -0.37 0.00 -0.01 0.00 0.00 57.00 57.17 2fle n GLN 61 Cb 0.59 -5.28 -0.07 0.00 1.02 0.00 0.00 30.24 26.50 2fle n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2fle s ILE 62 N -3.55 5.29 -0.03 5.09 -1.09 0.67 -4.75 121.20 122.83 2fle s ILE 62 Ca 0.24 0.59 -0.29 0.00 -2.23 0.00 0.00 60.65 58.96 2fle s ILE 62 Cb -0.12 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 2fle s ILE 62 CO 0.82 0.40 0.92 -0.22 -1.23 0.00 0.00 174.94 175.63 2fle s LEU 63 N 0.37 4.34 -0.00 2.97 2.96 -1.26 -1.58 118.68 126.47 2fle s LEU 63 Ca 0.18 1.54 0.01 0.00 -0.22 0.00 0.00 54.13 55.63 2fle s LEU 63 Cb -0.13 -3.46 -0.00 0.00 0.50 0.00 0.00 46.19 43.09 2fle s LEU 63 CO 0.05 -0.26 -0.03 -0.51 -1.32 0.00 0.00 176.35 174.28 2fle s ILE 64 N 1.14 0.21 -0.29 6.68 2.07 0.27 -4.43 121.20 126.85 2fle s ILE 64 Ca 0.48 -0.11 0.01 0.00 -1.41 0.00 0.00 60.65 59.63 2fle s ILE 64 Cb -0.20 -0.19 0.06 0.00 0.13 0.00 0.00 42.46 42.27 2fle s ILE 64 CO 0.24 0.06 -0.04 -0.70 -1.91 0.00 0.00 174.94 172.60 2fle s GLU 65 N -0.01 2.22 -0.32 3.50 2.12 -0.38 -0.97 118.70 124.86 2fle s GLU 65 Ca 0.01 -1.39 -0.12 0.00 0.36 0.00 0.00 54.97 53.82 2fle s GLU 65 Cb -0.02 -3.06 -0.02 0.00 0.26 0.00 0.00 34.13 31.29 2fle s GLU 65 CO -0.00 -0.65 0.21 0.42 -0.54 0.00 0.00 175.26 174.70 2fle s ILE 66 N 1.14 5.15 -1.78 -3.70 1.01 0.27 -0.55 121.20 122.74 2fle s ILE 66 Ca -0.05 -0.15 -0.19 0.00 0.00 0.00 0.00 60.65 60.26 2fle s ILE 66 Cb -0.20 -3.59 0.18 0.00 0.01 0.00 0.00 42.46 38.86 2fle s ILE 66 CO -0.04 0.08 0.59 0.00 0.00 0.00 0.00 174.94 175.57 2fle n GLY 68 N -1.36 0.73 3.30 0.00 0.00 -1.26 -5.05 105.19 101.55 2fle n GLY 68 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2fle n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fle s HIS 69 N -2.68 2.82 0.34 1.61 4.02 0.71 -5.11 115.29 116.99 2fle s HIS 69 Ca 0.00 -0.93 -0.20 0.00 1.02 0.00 0.00 55.06 54.95 2fle s HIS 69 Cb 0.00 -1.91 -0.10 0.00 -1.02 0.00 0.00 32.58 29.55 2fle s HIS 69 CO 0.00 -0.42 0.84 0.15 1.02 0.00 0.00 174.74 176.33 2fle s LYS 70 N 0.80 4.22 -0.10 1.40 1.02 -1.26 -0.56 119.74 125.26 2fle s LYS 70 Ca -0.05 0.96 -0.29 0.00 0.02 0.00 0.00 55.97 56.62 2fle s LYS 70 Cb -0.15 -2.51 0.07 0.00 -0.52 0.00 0.00 37.83 34.72 2fle s LYS 70 CO 0.01 0.17 0.67 0.00 -0.92 0.00 0.00 175.35 175.27 2fle s ALA 71 N -1.89 -1.72 -0.08 5.17 0.00 -0.15 -4.82 121.76 118.28 2fle s ALA 71 Ca 0.54 1.42 0.04 0.00 0.00 0.00 0.00 51.96 53.96 2fle s ALA 71 Cb -0.13 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.74 2fle s ALA 71 CO 0.18 -0.36 -0.22 0.42 0.00 0.00 0.00 175.76 175.78 2fle s ILE 72 N -0.85 1.86 0.00 0.00 1.01 -1.26 -0.57 121.20 121.40 2fle s ILE 72 Ca -0.09 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 2fle s ILE 72 Cb -0.01 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.85 2fle s ILE 72 CO 0.08 0.52 0.17 0.61 0.00 0.00 0.00 174.94 176.31 2fle n GLY 73 N 3.47 0.76 3.73 6.18 0.00 -0.61 -4.85 105.19 113.86 2fle n GLY 73 Ca -0.19 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 2fle n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fle s THR 74 N -2.24 4.65 -0.06 2.61 2.01 -1.26 -0.24 115.64 121.10 2fle s THR 74 Ca 0.04 1.88 0.02 0.00 0.31 0.00 0.00 61.69 63.94 2fle s THR 74 Cb -0.00 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.29 2fle s THR 74 CO 0.00 0.31 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.44 2fle s VAL 75 N 0.12 1.12 -0.11 3.82 1.01 0.59 -4.51 120.40 122.43 2fle s VAL 75 Ca 0.44 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 2fle s VAL 75 Cb -0.22 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2fle s VAL 75 CO 0.27 0.35 0.12 -0.76 0.00 0.00 0.00 175.10 175.07 2fle s LEU 76 N 0.65 4.25 -0.10 3.92 1.43 -0.14 -1.37 118.68 127.33 2fle s LEU 76 Ca -0.14 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 2fle s LEU 76 Cb -0.16 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.05 2fle s LEU 76 CO 0.04 0.40 -0.16 -0.69 0.23 0.00 0.00 176.35 176.17 2fle s VAL 77 N -1.00 1.50 0.00 -1.59 1.01 -0.26 -0.14 120.40 119.91 2fle s VAL 77 Ca 0.15 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2fle s VAL 77 Cb -0.12 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.91 2fle s VAL 77 CO 0.04 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.18 2fle n GLY 78 N 3.99 0.84 2.08 4.51 0.00 -0.89 -0.17 105.19 115.55 2fle n GLY 78 Ca -0.20 -0.76 -0.04 0.00 0.00 0.00 0.00 46.02 45.02 2fle n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2fle n PRO 79 N 0.00 0.91 -2.90 1.61 -0.04 -1.26 -2.91 135.00 130.42 2fle n PRO 79 Ca 0.00 -0.37 -0.37 0.00 -0.04 0.00 0.00 63.50 62.71 2fle n PRO 79 Cb 0.00 -1.60 -0.06 0.00 -0.04 0.00 0.00 33.50 31.79 2fle n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2fle s THR 80 N 1.61 4.32 -0.24 0.52 -1.32 -1.26 -4.95 115.64 114.32 2fle s THR 80 Ca 0.25 1.67 0.28 0.00 -1.21 0.00 0.00 61.69 62.68 2fle s THR 80 Cb 0.12 -4.01 0.30 0.00 -1.51 0.00 0.00 72.50 67.40 2fle s THR 80 CO 0.00 0.24 1.82 -0.65 -2.21 0.00 0.00 174.62 173.83 2fle h PRO 81 N 3.48 0.00 -2.64 7.08 0.11 -1.98 -3.42 132.00 134.64 2fle h PRO 81 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 2fle h PRO 81 Cb 1.19 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.14 2fle h PRO 81 CO 0.65 0.00 0.11 0.00 -0.21 0.00 0.00 178.00 178.55 2fle s ALA 82 N -3.47 -1.49 -0.03 -0.75 0.00 -1.26 -5.05 121.76 109.71 2fle s ALA 82 Ca 0.03 0.74 -0.30 0.00 0.00 0.00 0.00 51.96 52.43 2fle s ALA 82 Cb 0.09 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 2fle s ALA 82 CO 0.44 -0.53 1.32 -0.80 0.00 0.00 0.00 175.76 176.19 2fle s ASN 83 N -1.95 6.93 -0.13 0.00 0.01 -1.26 -4.59 114.94 113.95 2fle s ASN 83 Ca -0.05 1.97 0.03 0.00 -0.71 0.00 0.00 52.86 54.10 2fle s ASN 83 Cb -0.01 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.10 2fle s ASN 83 CO -0.01 -0.67 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.06 2fle s ILE 84 N 2.43 2.15 -0.41 0.60 1.01 0.11 -0.93 121.20 126.16 2fle s ILE 84 Ca 0.60 -0.96 -0.14 0.00 0.00 0.00 0.00 60.65 60.16 2fle s ILE 84 Cb -0.28 -1.85 0.03 0.00 0.01 0.00 0.00 42.46 40.37 2fle s ILE 84 CO 0.24 0.55 0.29 -0.63 0.00 0.00 0.00 174.94 175.39 2fle s ILE 85 N 0.66 5.00 0.79 2.92 -1.09 0.11 -1.24 121.20 128.36 2fle s ILE 85 Ca -0.10 -0.83 -0.04 0.00 -2.23 0.00 0.00 60.65 57.45 2fle s ILE 85 Cb -0.16 -3.84 0.16 0.00 -1.58 0.00 0.00 42.46 37.04 2fle s ILE 85 CO 0.02 -0.35 1.09 -0.83 -1.23 0.00 0.00 174.94 173.64 2fle s GLY 86 N 1.81 1.76 0.56 6.18 0.00 -1.15 -1.38 107.32 115.10 2fle s GLY 86 Ca 0.04 -1.73 0.25 0.00 0.00 0.00 0.00 44.72 43.28 2fle s GLY 86 CO 0.08 -1.07 2.09 3.21 0.00 0.00 0.00 173.10 177.40 2fle h ARG 87 N -0.83 0.00 -0.02 2.90 3.08 -0.84 -1.36 114.38 117.30 2fle h ARG 87 Ca -0.37 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.69 2fle h ARG 87 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 2fle h ARG 87 CO 0.37 0.00 0.02 -2.95 -1.07 0.00 0.00 179.97 176.34 2fle h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.77 -2.43 115.58 117.34 2fle h ASN 88 Ca 0.11 0.00 -0.27 0.00 0.07 0.00 0.00 56.30 56.21 2fle h ASN 88 Cb 0.52 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.72 2fle h ASN 88 CO -0.00 0.00 -2.03 0.18 0.07 0.00 0.00 177.43 175.65 2fle n LEU 89 N -4.14 0.82 -0.21 6.14 4.77 -0.68 -4.45 117.00 119.25 2fle n LEU 89 Ca -0.02 -0.03 0.07 0.00 -0.03 0.00 0.00 56.01 56.00 2fle n LEU 89 Cb 0.11 0.08 0.35 0.00 -2.33 0.00 0.00 43.42 41.63 2fle n LEU 89 CO 0.30 0.49 1.22 -0.07 -1.33 0.00 0.00 177.39 178.00 2fle h LEU 90 N 0.00 0.69 -1.13 2.23 3.38 -1.10 -0.73 115.31 118.65 2fle h LEU 90 Ca -0.40 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 2fle h LEU 90 Cb 1.84 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 2fle h LEU 90 CO -0.00 0.43 0.03 0.71 0.09 0.00 0.00 178.44 179.70 2fle h THR 91 N 0.77 1.21 0.00 0.22 1.35 -1.67 -1.70 112.91 113.09 2fle h THR 91 Ca 0.34 -0.83 -0.05 0.00 -0.55 0.00 0.00 66.41 65.33 2fle h THR 91 Cb 0.34 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 2fle h THR 91 CO -0.12 0.29 -0.23 1.56 -0.25 0.00 0.00 175.52 176.77 2fle h GLN 92 N 0.62 0.00 -0.69 4.72 4.20 -1.35 -2.40 115.11 120.21 2fle h GLN 92 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2fle h GLN 92 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2fle h GLN 92 CO 0.01 0.23 0.00 0.44 -0.67 0.00 0.00 178.83 178.84 2fle n ILE 93 N -3.63 0.98 -2.49 2.54 -5.35 -1.04 -4.94 119.36 105.43 2fle n ILE 93 Ca -0.01 -0.94 -0.14 0.00 -0.27 0.00 0.00 62.75 61.39 2fle n ILE 93 Cb 0.36 0.44 0.01 0.00 -1.74 0.00 0.00 39.64 38.70 2fle n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2fle n GLY 94 N 1.57 -0.15 3.73 3.28 0.00 -0.90 -4.99 105.19 107.72 2fle n GLY 94 Ca 0.23 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2fle n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fle s THR 96 N 0.08 0.80 -0.00 0.00 -4.23 -1.26 -4.71 115.64 106.32 2fle s THR 96 Ca 0.48 -1.97 -0.01 0.00 -1.18 0.00 0.00 61.69 59.01 2fle s THR 96 Cb -0.24 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 2fle s THR 96 CO 0.30 -0.78 0.11 -0.76 -0.54 0.00 0.00 174.62 172.96 2fle s LEU 97 N -3.10 4.02 -0.03 4.79 1.43 -1.26 -5.08 118.68 119.46 2fle s LEU 97 Ca 0.15 0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.43 2fle s LEU 97 Cb 0.05 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.91 2fle s LEU 97 CO -0.02 0.27 0.06 0.20 0.23 0.00 0.00 176.35 177.08 2fle s ASN 98 N -1.82 -0.03 0.00 2.29 0.01 -1.26 -5.28 114.94 108.86 2fle s ASN 98 Ca 0.24 0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.50 2fle s ASN 98 Cb -0.12 0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.61 2fle s ASN 98 CO 0.15 -0.07 0.00 2.22 -1.51 0.00 0.00 177.10 177.90