#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf5 n GLN 6 N 0.00 3.72 0.00 6.28 6.02 -1.26 -4.97 117.38 127.18 3cf5 n GLN 6 Ca 0.00 -3.09 0.00 0.00 -0.01 0.00 0.00 57.00 53.90 3cf5 n GLN 6 Cb 0.00 -2.18 0.00 0.00 1.02 0.00 0.00 30.24 29.08 3cf5 n GLN 6 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3cf5 n THR 7 N -0.14 0.00 -2.22 5.09 -1.04 -1.26 -5.12 114.28 109.59 3cf5 n THR 7 Ca 0.38 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.37 3cf5 n THR 7 Cb 1.32 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.82 3cf5 n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cf5 n GLY 8 N 0.46 -5.24 0.00 3.41 0.00 -1.26 -5.02 105.19 97.54 3cf5 n GLY 8 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 3cf5 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 9 N 1.50 -0.60 0.00 -0.02 0.00 -1.26 -4.77 105.19 100.03 3cf5 n GLY 9 Ca -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3cf5 n GLY 9 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3cf5 n LYS 10 N 0.00 -0.76 -1.04 1.61 2.85 -1.26 -4.85 118.16 114.70 3cf5 n LYS 10 Ca 0.00 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.40 3cf5 n LYS 10 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 3cf5 n LYS 10 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3cf5 n GLN 11 N 0.00 -2.21 0.00 -1.58 1.13 -1.15 -4.89 117.38 108.69 3cf5 n GLN 11 Ca 0.00 1.60 0.00 0.00 -1.94 0.00 0.00 57.00 56.66 3cf5 n GLN 11 Cb 0.00 -2.65 0.00 0.00 0.11 0.00 0.00 30.24 27.70 3cf5 n GLN 11 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 3cf5 n TYR 12 N -3.67 0.00 0.00 1.08 9.36 -1.12 -4.79 117.16 118.02 3cf5 n TYR 12 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 3cf5 n TYR 12 Cb 0.48 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.19 3cf5 n TYR 12 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 3cf5 n ARG 13 N 0.00 0.00 0.00 2.98 0.63 -1.26 -4.95 116.66 114.05 3cf5 n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3cf5 n ARG 13 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3cf5 n ARG 13 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3cf5 n VAL 14 N 0.00 0.00 0.00 5.15 0.31 -1.26 -5.06 118.33 117.47 3cf5 n VAL 14 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3cf5 n VAL 14 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3cf5 n VAL 14 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3cf5 n SER 15 N 0.00 0.00 -3.69 4.52 7.64 -1.26 -4.87 113.62 115.96 3cf5 n SER 15 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 3cf5 n SER 15 Cb 0.05 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.20 3cf5 n SER 15 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3cf5 s GLU 16 N -1.73 1.04 -0.48 1.43 2.02 -1.22 -4.83 118.70 114.94 3cf5 s GLU 16 Ca 0.00 -0.78 -0.19 0.00 0.02 0.00 0.00 54.97 54.03 3cf5 s GLU 16 Cb 0.00 0.45 0.05 0.00 0.10 0.00 0.00 34.13 34.72 3cf5 s GLU 16 CO 0.00 -0.40 0.58 0.20 0.02 0.00 0.00 175.26 175.67 3cf5 s GLY 17 N -2.82 1.80 0.25 -1.39 0.00 -1.26 -0.10 107.32 103.79 3cf5 s GLY 17 Ca 0.04 -1.63 0.12 0.00 0.00 0.00 0.00 44.72 43.25 3cf5 s GLY 17 CO -0.11 1.41 -0.21 0.51 0.00 0.00 0.00 173.10 174.70 3cf5 s ASP 18 N 2.41 3.58 -0.12 1.64 1.47 -1.21 -4.87 116.67 119.58 3cf5 s ASP 18 Ca 0.15 -0.95 -0.14 0.00 1.18 0.00 0.00 52.55 52.79 3cf5 s ASP 18 Cb -0.18 -0.31 -0.05 0.00 -0.34 0.00 0.00 42.92 42.04 3cf5 s ASP 18 CO 0.13 0.07 0.33 -0.69 0.68 0.00 0.00 175.17 175.70 3cf5 s VAL 19 N -2.19 5.25 0.20 2.11 1.01 -1.26 0.19 120.40 125.70 3cf5 s VAL 19 Ca 0.27 0.65 -0.06 0.00 0.00 0.00 0.00 61.98 62.83 3cf5 s VAL 19 Cb -0.06 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 3cf5 s VAL 19 CO 0.13 0.43 0.26 0.27 0.00 0.00 0.00 175.10 176.19 3cf5 s ILE 20 N 0.10 0.03 0.98 2.22 -5.25 -0.35 -4.96 121.20 113.97 3cf5 s ILE 20 Ca 0.19 -1.67 -0.27 0.00 -0.99 0.00 0.00 60.65 57.91 3cf5 s ILE 20 Cb -0.14 -2.19 -0.20 0.00 2.95 0.00 0.00 42.46 42.88 3cf5 s ILE 20 CO 0.07 -0.13 -1.53 0.54 -1.79 0.00 0.00 174.94 172.09 3cf5 n ARG 21 N -0.27 0.00 -1.85 0.37 5.12 -1.26 -0.25 116.66 118.53 3cf5 n ARG 21 Ca -0.02 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.48 3cf5 n ARG 21 Cb 0.64 -0.98 -0.02 0.00 -1.16 0.00 0.00 32.46 30.93 3cf5 n ARG 21 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3cf5 s VAL 22 N -1.97 2.31 -1.43 1.55 -7.23 -1.26 -3.01 120.40 109.37 3cf5 s VAL 22 Ca 0.35 0.24 0.18 0.00 -1.81 0.00 0.00 61.98 60.94 3cf5 s VAL 22 Cb 0.11 -3.15 0.65 0.00 0.56 0.00 0.00 36.38 34.55 3cf5 s VAL 22 CO 0.64 0.03 1.55 -0.62 -0.31 0.00 0.00 175.10 176.39 3cf5 n GLU 23 N 3.19 3.25 0.00 4.82 -0.58 -1.26 -4.93 120.64 125.13 3cf5 n GLU 23 Ca 0.12 -2.59 0.00 0.00 -0.42 0.00 0.00 57.16 54.27 3cf5 n GLU 23 Cb 0.38 -1.76 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 3cf5 n GLU 23 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3cf5 n SER 24 N 1.17 0.00 -3.51 1.62 2.88 -1.26 -4.70 113.62 109.83 3cf5 n SER 24 Ca 0.24 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.64 3cf5 n SER 24 Cb 0.76 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 64.08 3cf5 n SER 24 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3cf5 n LEU 25 N 0.00 -1.29 0.00 2.46 4.77 -1.26 -4.80 117.00 116.88 3cf5 n LEU 25 Ca 0.00 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 3cf5 n LEU 25 Cb 0.00 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 3cf5 n LEU 25 CO 0.00 -1.19 0.00 1.67 -1.33 0.00 0.00 177.39 176.54 3cf5 n GLN 26 N 4.21 1.38 0.00 3.23 7.27 -1.26 -4.87 117.38 127.34 3cf5 n GLN 26 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.48 3cf5 n GLN 26 Cb 0.19 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.84 3cf5 n GLN 26 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3cf5 n GLY 27 N 1.11 0.76 0.00 1.69 0.00 -1.26 -4.68 105.19 102.81 3cf5 n GLY 27 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3cf5 n GLY 27 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cf5 n GLU 28 N 0.00 1.72 0.00 1.61 4.71 -1.26 -4.86 120.64 122.56 3cf5 n GLU 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3cf5 n GLU 28 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 3cf5 n GLU 28 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3cf5 n ALA 29 N -3.00 0.00 -0.03 0.62 0.00 -1.22 -4.65 120.51 112.23 3cf5 n ALA 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3cf5 n ALA 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3cf5 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cf5 n GLY 30 N 0.00 0.00 3.13 0.00 0.00 -1.26 -4.24 105.19 102.82 3cf5 n GLY 30 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 3cf5 n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cf5 n ASP 31 N 0.11 0.62 -4.92 1.61 8.00 -1.26 -3.83 116.55 116.87 3cf5 n ASP 31 Ca 0.00 1.01 -0.30 0.00 0.71 0.00 0.00 54.79 56.21 3cf5 n ASP 31 Cb 0.01 -0.77 -0.04 0.00 -0.02 0.00 0.00 41.12 40.30 3cf5 n ASP 31 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3cf5 s LYS 32 N 1.54 3.45 -0.14 -1.24 -0.14 2.16 -4.91 119.74 120.46 3cf5 s LYS 32 Ca 0.85 -0.46 0.00 0.00 -1.36 0.00 0.00 55.97 55.01 3cf5 s LYS 32 Cb -1.21 -3.01 0.02 0.00 -1.68 0.00 0.00 37.83 31.96 3cf5 s LYS 32 CO 0.62 0.58 -0.13 0.14 -0.76 0.00 0.00 175.35 175.79 3cf5 s VAL 33 N -1.58 1.47 -0.04 3.17 -7.23 -1.26 -0.39 120.40 114.55 3cf5 s VAL 33 Ca 0.35 -0.57 0.07 0.00 -1.81 0.00 0.00 61.98 60.02 3cf5 s VAL 33 Cb -0.12 -1.40 -0.02 0.00 0.56 0.00 0.00 36.38 35.40 3cf5 s VAL 33 CO 0.28 0.44 -0.25 -1.61 -0.31 0.00 0.00 175.10 173.65 3cf5 s GLU 34 N 1.53 2.24 0.00 4.82 0.41 0.08 -5.00 118.70 122.78 3cf5 s GLU 34 Ca 0.05 -0.90 0.00 0.00 -0.41 0.00 0.00 54.97 53.71 3cf5 s GLU 34 Cb -0.13 -2.04 0.00 0.00 -1.78 0.00 0.00 34.13 30.18 3cf5 s GLU 34 CO -0.10 0.47 0.00 -0.11 -0.49 0.00 0.00 175.26 175.03 3cf5 n LEU 35 N 2.67 0.00 0.00 1.80 0.00 -1.26 -1.02 117.00 119.19 3cf5 n LEU 35 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.84 3cf5 n LEU 35 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.94 3cf5 n LEU 35 CO 0.24 0.00 0.00 0.29 0.00 0.00 0.00 177.39 177.92 3cf5 n LYS 36 N 0.00 0.00 -0.01 1.96 5.02 -1.26 -3.23 118.16 120.64 3cf5 n LYS 36 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 3cf5 n LYS 36 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 3cf5 n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cf5 n ALA 37 N -1.16 2.68 -2.24 7.82 0.00 -1.26 -4.25 120.51 122.10 3cf5 n ALA 37 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 3cf5 n ALA 37 Cb 0.00 0.47 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 3cf5 n ALA 37 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3cf5 s LEU 38 N -5.91 1.66 0.00 0.00 1.98 -1.25 0.87 118.68 116.03 3cf5 s LEU 38 Ca -0.03 -1.15 0.00 0.00 -2.89 0.00 0.00 54.13 50.06 3cf5 s LEU 38 Cb 0.01 0.43 0.00 0.00 0.66 0.00 0.00 46.19 47.30 3cf5 s LEU 38 CO 0.04 -0.75 0.00 2.22 -1.89 0.00 0.00 176.35 175.97 3cf5 n PHE 39 N -0.11 0.00 -3.23 5.38 1.16 -0.53 -2.79 117.46 117.34 3cf5 n PHE 39 Ca -0.06 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.28 3cf5 n PHE 39 Cb 0.64 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.43 3cf5 n PHE 39 CO 0.00 0.00 0.00 1.33 -1.87 0.00 0.00 176.76 176.22 3cf5 n VAL 40 N -0.77 -0.16 -1.95 1.97 0.24 -1.26 0.11 118.33 116.51 3cf5 n VAL 40 Ca 0.00 -4.23 -0.26 0.00 -2.04 0.00 0.00 64.34 57.81 3cf5 n VAL 40 Cb 0.00 -1.97 -0.05 0.00 -1.47 0.00 0.00 33.84 30.35 3cf5 n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3cf5 s GLY 41 N -1.42 -0.01 0.00 7.63 0.00 -1.26 -1.41 107.32 110.85 3cf5 s GLY 41 Ca 0.36 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.86 3cf5 s GLY 41 CO -0.09 3.63 0.00 0.61 0.00 0.00 0.00 173.10 177.25 3cf5 n GLY 42 N 6.66 1.50 3.22 0.20 0.00 -1.26 -4.06 105.19 111.46 3cf5 n GLY 42 Ca 0.38 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3cf5 n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cf5 n GLU 43 N -0.94 0.00 -1.77 1.61 1.02 -0.50 -4.93 120.64 115.12 3cf5 n GLU 43 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 3cf5 n GLU 43 Cb 0.14 -1.68 -0.10 0.00 -0.02 0.00 0.00 31.44 29.79 3cf5 n GLU 43 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3cf5 n GLN 44 N -2.00 0.71 -1.66 3.49 6.02 -1.26 -4.89 117.38 117.79 3cf5 n GLN 44 Ca 0.00 -2.02 -0.56 0.00 -0.01 0.00 0.00 57.00 54.41 3cf5 n GLN 44 Cb 0.00 -3.86 -0.07 0.00 1.02 0.00 0.00 30.24 27.33 3cf5 n GLN 44 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3cf5 n THR 45 N 8.58 0.16 -3.59 5.09 -2.24 -1.26 -4.10 114.28 116.92 3cf5 n THR 45 Ca 0.43 -0.03 -0.20 0.00 -2.27 0.00 0.00 64.05 61.98 3cf5 n THR 45 Cb 0.47 -0.98 -0.15 0.00 -2.10 0.00 0.00 70.33 67.56 3cf5 n THR 45 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3cf5 s VAL 46 N 2.21 -0.22 0.34 2.28 1.01 0.12 -4.97 120.40 121.17 3cf5 s VAL 46 Ca 0.93 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.98 3cf5 s VAL 46 Cb -1.06 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3cf5 s VAL 46 CO 0.59 -0.09 0.52 0.72 0.00 0.00 0.00 175.10 176.84 3cf5 s PHE 47 N 2.25 3.43 0.00 5.22 -0.12 -1.26 -1.45 117.98 126.05 3cf5 s PHE 47 Ca 0.04 0.23 0.00 0.00 -0.05 0.00 0.00 56.93 57.15 3cf5 s PHE 47 Cb -0.14 -1.89 0.00 0.00 -0.63 0.00 0.00 43.02 40.36 3cf5 s PHE 47 CO -0.09 0.12 0.00 0.41 -0.05 0.00 0.00 175.22 175.61 3cf5 n GLY 48 N -1.74 0.00 4.88 1.99 0.00 0.25 -2.62 105.19 107.95 3cf5 n GLY 48 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3cf5 n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cf5 n GLU 49 N 0.00 0.00 0.00 1.61 1.02 -1.26 -2.63 120.64 119.37 3cf5 n GLU 49 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 3cf5 n GLU 49 Cb 0.00 0.00 0.25 0.00 -0.02 0.00 0.00 31.44 31.67 3cf5 n GLU 49 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3cf5 n ASP 50 N 0.00 0.00 -0.05 1.62 2.03 -1.23 -1.74 116.55 117.18 3cf5 n ASP 50 Ca 0.00 0.17 -0.04 0.00 0.52 0.00 0.00 54.79 55.45 3cf5 n ASP 50 Cb 0.00 -0.31 -0.11 0.00 -0.72 0.00 0.00 41.12 39.99 3cf5 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3cf5 n ALA 51 N -1.31 1.85 -0.04 -1.67 0.00 -1.08 -4.38 120.51 113.88 3cf5 n ALA 51 Ca 0.05 -0.78 0.24 0.00 0.00 0.00 0.00 53.44 52.95 3cf5 n ALA 51 Cb 0.08 -0.13 0.71 0.00 0.00 0.00 0.00 19.45 20.12 3cf5 n ALA 51 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3cf5 h GLY 52 N 2.67 0.00 -0.81 0.00 0.00 -1.52 0.24 103.07 103.65 3cf5 h GLY 52 Ca -0.29 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.15 3cf5 h GLY 52 CO 0.02 0.00 -0.46 0.50 0.00 0.00 0.00 176.54 176.60 3cf5 h LYS 53 N 0.00 -0.08 -7.43 4.80 1.57 -1.76 -3.40 116.57 110.27 3cf5 h LYS 53 Ca 0.31 0.01 -0.50 0.00 -1.87 0.00 0.00 60.65 58.60 3cf5 h LYS 53 Cb 1.49 0.02 0.07 0.00 0.08 0.00 0.00 32.23 33.89 3cf5 h LYS 53 CO -0.00 -0.05 0.42 0.71 -0.57 0.00 0.00 179.45 179.95 3cf5 s TYR 54 N -5.80 3.43 0.28 -1.35 1.51 0.83 -5.09 117.35 111.16 3cf5 s TYR 54 Ca -0.13 1.14 -0.03 0.00 -1.01 0.00 0.00 57.07 57.04 3cf5 s TYR 54 Cb 0.15 -2.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.05 3cf5 s TYR 54 CO 0.67 -1.00 0.34 0.95 -1.11 0.00 0.00 175.55 175.39 3cf5 s THR 55 N -3.29 0.00 -0.03 -0.71 -4.23 -1.26 -4.51 115.64 101.62 3cf5 s THR 55 Ca 0.57 -1.75 0.02 0.00 -1.18 0.00 0.00 61.69 59.35 3cf5 s THR 55 Cb -0.11 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 71.26 3cf5 s THR 55 CO 0.53 0.00 -0.06 0.68 -0.54 0.00 0.00 174.62 175.22 3cf5 s VAL 56 N -3.67 0.60 -0.20 2.29 -7.23 -0.19 -1.82 120.40 110.18 3cf5 s VAL 56 Ca 0.33 -0.24 -0.06 0.00 -1.81 0.00 0.00 61.98 60.21 3cf5 s VAL 56 Cb 0.02 -0.56 -0.03 0.00 0.56 0.00 0.00 36.38 36.38 3cf5 s VAL 56 CO 0.17 0.21 0.02 -1.10 -0.31 0.00 0.00 175.10 174.08 3cf5 s GLN 57 N 0.38 3.70 0.07 4.82 -0.21 -1.26 -0.74 119.66 126.42 3cf5 s GLN 57 Ca -0.05 -0.48 0.04 0.00 0.02 0.00 0.00 55.36 54.89 3cf5 s GLN 57 Cb -0.09 -3.13 -0.03 0.00 1.00 0.00 0.00 33.01 30.76 3cf5 s GLN 57 CO 0.00 0.06 -0.10 0.00 -2.12 0.00 0.00 175.29 173.13 3cf5 s ALA 58 N 0.89 0.93 -0.13 6.09 0.00 0.48 0.91 121.76 130.93 3cf5 s ALA 58 Ca 0.02 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 3cf5 s ALA 58 Cb -0.14 -0.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 3cf5 s ALA 58 CO 0.02 0.03 -0.11 -1.21 0.00 0.00 0.00 175.76 174.49 3cf5 s GLU 59 N -2.05 3.38 -0.51 0.00 2.02 -0.47 0.55 118.70 121.62 3cf5 s GLU 59 Ca -0.02 -0.65 -0.27 0.00 0.02 0.00 0.00 54.97 54.05 3cf5 s GLU 59 Cb -0.07 -2.67 -0.09 0.00 0.10 0.00 0.00 34.13 31.40 3cf5 s GLU 59 CO 0.01 0.26 2.42 0.28 0.02 0.00 0.00 175.26 178.24 3cf5 n VAL 60 N 3.41 -0.02 0.03 2.63 0.31 -1.25 -1.37 118.33 122.07 3cf5 n VAL 60 Ca -0.18 -0.66 -0.12 0.00 -0.01 0.00 0.00 64.34 63.36 3cf5 n VAL 60 Cb 0.53 -2.50 -0.09 0.00 -0.91 0.00 0.00 33.84 30.86 3cf5 n VAL 60 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3cf5 h VAL 61 N 7.65 1.13 -2.25 2.52 2.07 0.16 -3.24 116.25 124.29 3cf5 h VAL 61 Ca -0.24 -1.13 0.14 0.00 0.82 0.00 0.00 66.70 66.29 3cf5 h VAL 61 Cb 1.27 1.82 -0.13 0.00 -1.52 0.00 0.00 31.29 32.73 3cf5 h VAL 61 CO 1.15 0.26 0.51 -0.70 0.02 0.00 0.00 177.57 178.82 3cf5 s GLU 62 N -3.92 0.91 -0.26 1.57 2.12 -1.17 -4.94 118.70 113.02 3cf5 s GLU 62 Ca -0.15 -0.41 -0.05 0.00 0.36 0.00 0.00 54.97 54.72 3cf5 s GLU 62 Cb 0.01 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.78 3cf5 s GLU 62 CO 0.59 -0.41 0.02 -1.01 -0.54 0.00 0.00 175.26 173.91 3cf5 s HIS 63 N -3.13 3.07 0.34 5.30 3.76 -1.26 0.11 115.29 123.48 3cf5 s HIS 63 Ca 0.08 -1.02 0.08 0.00 -0.15 0.00 0.00 55.06 54.06 3cf5 s HIS 63 Cb -0.01 -2.17 -0.05 0.00 1.11 0.00 0.00 32.58 31.46 3cf5 s HIS 63 CO -0.05 -0.57 0.09 0.20 -0.85 0.00 0.00 174.74 173.56 3cf5 s GLY 64 N 1.47 2.02 -0.16 -2.22 0.00 -0.71 -4.95 107.32 102.76 3cf5 s GLY 64 Ca 0.03 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.86 3cf5 s GLY 64 CO -0.00 -1.82 -0.10 -1.60 0.00 0.00 0.00 173.10 169.57 3cf5 s ARG 65 N -3.80 1.93 0.81 2.90 3.52 -1.26 0.15 118.95 123.20 3cf5 s ARG 65 Ca 0.37 -0.59 -0.10 0.00 -0.13 0.00 0.00 55.73 55.28 3cf5 s ARG 65 Cb -0.01 -2.10 0.06 0.00 -1.56 0.00 0.00 34.95 31.34 3cf5 s ARG 65 CO 0.21 -0.34 -0.01 0.41 -0.81 0.00 0.00 175.30 174.77 3cf5 n GLY 66 N 4.79 -1.96 3.68 8.12 0.00 -1.09 -4.90 105.19 113.83 3cf5 n GLY 66 Ca -0.15 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 3cf5 n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cf5 s LYS 67 N -2.74 4.36 0.03 1.61 2.47 -1.26 -4.84 119.74 119.36 3cf5 s LYS 67 Ca 0.22 1.44 -0.36 0.00 -1.56 0.00 0.00 55.97 55.72 3cf5 s LYS 67 Cb -0.02 -3.58 -0.15 0.00 -1.46 0.00 0.00 37.83 32.62 3cf5 s LYS 67 CO 0.25 -0.44 1.58 1.17 0.16 0.00 0.00 175.35 178.07 3cf5 n LYS 68 N 5.46 1.67 -4.35 4.03 3.00 -1.26 -4.72 118.16 121.99 3cf5 n LYS 68 Ca 0.10 0.61 -0.28 0.00 -0.00 0.00 0.00 58.31 58.74 3cf5 n LYS 68 Cb 0.47 -2.33 -0.12 0.00 0.00 0.00 0.00 35.03 33.05 3cf5 n LYS 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3cf5 s ILE 69 N 1.73 2.62 -0.18 3.15 1.01 0.11 -4.99 121.20 124.65 3cf5 s ILE 69 Ca 0.86 -1.73 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 3cf5 s ILE 69 Cb -0.83 -2.22 -0.00 0.00 0.01 0.00 0.00 42.46 39.42 3cf5 s ILE 69 CO 0.47 0.01 -0.12 -0.31 0.00 0.00 0.00 174.94 175.00 3cf5 s TYR 70 N -1.33 2.84 -0.49 3.97 1.51 -1.26 -1.20 117.35 121.39 3cf5 s TYR 70 Ca 0.19 -1.06 -0.19 0.00 -1.01 0.00 0.00 57.07 54.99 3cf5 s TYR 70 Cb -0.09 -1.96 0.05 0.00 -0.11 0.00 0.00 41.96 39.84 3cf5 s TYR 70 CO 0.10 -0.52 0.63 0.42 -1.11 0.00 0.00 175.55 175.06 3cf5 s ILE 71 N 1.05 4.86 0.06 2.71 1.01 0.22 -4.92 121.20 126.19 3cf5 s ILE 71 Ca -0.00 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.35 3cf5 s ILE 71 Cb -0.15 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 3cf5 s ILE 71 CO -0.03 -0.75 -0.06 -0.13 0.00 0.00 0.00 174.94 173.97 3cf5 s ARG 72 N 2.68 2.42 0.28 2.79 0.52 -1.25 -1.27 118.95 125.13 3cf5 s ARG 72 Ca 0.17 -0.84 0.04 0.00 -0.52 0.00 0.00 55.73 54.58 3cf5 s ARG 72 Cb -0.18 -2.45 -0.06 0.00 0.52 0.00 0.00 34.95 32.78 3cf5 s ARG 72 CO 0.14 0.56 0.02 0.15 0.02 0.00 0.00 175.30 176.19 3cf5 s LYS 73 N -1.89 1.52 -0.30 3.54 1.02 -0.17 -4.97 119.74 118.49 3cf5 s LYS 73 Ca 0.21 -1.80 -0.16 0.00 0.02 0.00 0.00 55.97 54.23 3cf5 s LYS 73 Cb -0.11 -0.79 0.18 0.00 -0.52 0.00 0.00 37.83 36.59 3cf5 s LYS 73 CO 0.12 -0.13 1.13 -0.47 -0.92 0.00 0.00 175.35 175.08 3cf5 s TYR 74 N -3.32 -0.33 -0.07 3.18 5.04 -1.26 -3.05 117.35 117.54 3cf5 s TYR 74 Ca 0.33 0.63 0.02 0.00 -2.44 0.00 0.00 57.07 55.61 3cf5 s TYR 74 Cb 0.07 0.20 0.02 0.00 0.35 0.00 0.00 41.96 42.59 3cf5 s TYR 74 CO 0.13 -0.16 -0.10 0.15 -1.34 0.00 0.00 175.55 174.22 3cf5 s LYS 75 N 1.53 1.56 0.24 4.97 1.02 -1.13 -5.07 119.74 122.86 3cf5 s LYS 75 Ca -0.06 -0.34 -0.14 0.00 0.02 0.00 0.00 55.97 55.45 3cf5 s LYS 75 Cb -0.03 -1.38 -0.08 0.00 -0.52 0.00 0.00 37.83 35.82 3cf5 s LYS 75 CO -0.14 -0.05 0.64 -1.54 -0.92 0.00 0.00 175.35 173.35 3cf5 s SER 76 N 0.92 6.78 0.00 2.83 1.04 -1.26 -4.04 113.70 119.96 3cf5 s SER 76 Ca -0.10 1.16 0.00 0.00 0.48 0.00 0.00 55.95 57.48 3cf5 s SER 76 Cb -0.15 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.65 3cf5 s SER 76 CO 0.01 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.77 3cf5 n GLY 77 N 0.10 0.72 0.11 7.32 0.00 -1.26 -4.82 105.19 107.37 3cf5 n GLY 77 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3cf5 n GLY 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3cf5 n VAL 78 N -2.32 0.95 0.00 1.61 3.14 -1.26 -5.09 118.33 115.37 3cf5 n VAL 78 Ca 0.00 -1.08 0.00 0.00 -2.96 0.00 0.00 64.34 60.30 3cf5 n VAL 78 Cb 0.02 0.34 0.00 0.00 -1.06 0.00 0.00 33.84 33.14 3cf5 n VAL 78 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3cf5 n GLN 79 N -0.64 0.00 -2.71 1.45 1.13 -1.26 -4.97 117.38 110.38 3cf5 n GLN 79 Ca 0.05 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.10 3cf5 n GLN 79 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.86 3cf5 n GLN 79 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 3cf5 n TYR 80 N 13.14 -3.80 -3.97 1.08 4.19 -1.26 -4.37 117.16 122.16 3cf5 n TYR 80 Ca 0.00 1.65 -0.22 0.00 3.31 0.00 0.00 57.90 62.64 3cf5 n TYR 80 Cb 0.00 -3.98 -0.17 0.00 0.49 0.00 0.00 39.34 35.68 3cf5 n TYR 80 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 3cf5 s ARG 81 N -1.82 0.81 -0.13 2.98 0.52 -1.26 -2.86 118.95 117.19 3cf5 s ARG 81 Ca 0.06 -0.03 -0.00 0.00 -0.52 0.00 0.00 55.73 55.23 3cf5 s ARG 81 Cb -0.02 -0.97 0.02 0.00 0.52 0.00 0.00 34.95 34.51 3cf5 s ARG 81 CO 0.76 -0.19 -0.10 1.03 0.02 0.00 0.00 175.30 176.82 3cf5 s ARG 82 N 1.44 1.85 -0.17 3.54 1.81 -1.17 -4.98 118.95 121.27 3cf5 s ARG 82 Ca -0.03 -0.38 -0.01 0.00 -1.72 0.00 0.00 55.73 53.59 3cf5 s ARG 82 Cb -0.13 -1.80 -0.01 0.00 -0.45 0.00 0.00 34.95 32.57 3cf5 s ARG 82 CO -0.03 -0.25 -0.12 0.50 -0.68 0.00 0.00 175.30 174.72 3cf5 s ARG 83 N 1.60 3.30 -0.14 3.54 6.06 -1.26 -1.00 118.95 131.05 3cf5 s ARG 83 Ca 0.05 -0.70 -0.07 0.00 -2.50 0.00 0.00 55.73 52.51 3cf5 s ARG 83 Cb -0.13 -2.74 0.06 0.00 0.06 0.00 0.00 34.95 32.21 3cf5 s ARG 83 CO -0.09 -0.01 0.33 0.95 -2.50 0.00 0.00 175.30 173.98 3cf5 s THR 84 N 0.91 -0.14 0.51 4.11 -4.23 -0.39 -5.00 115.64 111.40 3cf5 s THR 84 Ca -0.03 0.15 -0.19 0.00 -1.18 0.00 0.00 61.69 60.44 3cf5 s THR 84 Cb -0.15 -0.50 -0.08 0.00 1.34 0.00 0.00 72.50 73.11 3cf5 s THR 84 CO -0.01 0.06 1.02 -0.83 -0.54 0.00 0.00 174.62 174.33 3cf5 s GLY 85 N 1.60 2.35 0.19 3.99 0.00 -1.26 0.71 107.32 114.91 3cf5 s GLY 85 Ca -0.07 0.48 -0.23 0.00 0.00 0.00 0.00 44.72 44.90 3cf5 s GLY 85 CO -0.11 0.79 0.63 -1.58 0.00 0.00 0.00 173.10 172.83 3cf5 s HIS 86 N -2.19 -0.46 0.00 1.90 5.04 -0.34 -4.83 115.29 114.40 3cf5 s HIS 86 Ca 0.65 0.20 0.00 0.00 -1.54 0.00 0.00 55.06 54.36 3cf5 s HIS 86 Cb -0.15 0.59 0.00 0.00 0.04 0.00 0.00 32.58 33.07 3cf5 s HIS 86 CO 0.24 -0.94 0.00 2.89 -2.34 0.00 0.00 174.74 174.59 3cf5 n ARG 87 N -0.40 0.00 -2.34 2.88 1.85 -1.26 0.08 116.66 117.46 3cf5 n ARG 87 Ca -0.14 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.28 3cf5 n ARG 87 Cb 0.64 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 32.02 3cf5 n ARG 87 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 3cf5 s GLN 88 N 0.00 4.29 0.65 2.89 0.74 -1.26 -4.39 119.66 122.57 3cf5 s GLN 88 Ca 0.00 1.80 -0.15 0.00 0.05 0.00 0.00 55.36 57.06 3cf5 s GLN 88 Cb 0.00 -3.64 -0.01 0.00 1.10 0.00 0.00 33.01 30.46 3cf5 s GLN 88 CO 0.00 -0.58 1.09 -0.80 -0.55 0.00 0.00 175.29 174.45 3cf5 s ASN 89 N 1.86 5.31 0.00 6.67 0.01 -1.26 -2.67 114.94 124.86 3cf5 s ASN 89 Ca 0.59 1.91 0.00 0.00 -0.71 0.00 0.00 52.86 54.65 3cf5 s ASN 89 Cb -0.27 -2.54 -0.00 0.00 0.41 0.00 0.00 41.25 38.85 3cf5 s ASN 89 CO 0.22 -1.49 0.00 2.22 -1.51 0.00 0.00 177.10 176.55 3cf5 n PHE 90 N -2.39 -0.25 -3.74 2.20 1.16 0.40 -4.05 117.46 110.79 3cf5 n PHE 90 Ca 0.10 -0.03 -0.13 0.00 -1.87 0.00 0.00 57.45 55.51 3cf5 n PHE 90 Cb 0.52 0.01 -0.14 0.00 -1.61 0.00 0.00 39.48 38.26 3cf5 n PHE 90 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 3cf5 s THR 91 N -2.25 -0.05 -0.07 1.97 2.01 0.66 -1.74 115.64 116.17 3cf5 s THR 91 Ca 0.00 0.17 -0.20 0.00 0.31 0.00 0.00 61.69 61.97 3cf5 s THR 91 Cb 0.00 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 3cf5 s THR 91 CO 0.00 0.07 0.57 0.00 -0.69 0.00 0.00 174.62 174.57 3cf5 s ALA 92 N 1.23 3.45 -0.25 7.40 0.00 0.30 -1.21 121.76 132.67 3cf5 s ALA 92 Ca -0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 3cf5 s ALA 92 Cb -0.11 -2.75 0.08 0.00 0.00 0.00 0.00 23.12 20.34 3cf5 s ALA 92 CO -0.07 0.03 0.05 0.96 0.00 0.00 0.00 175.76 176.73 3cf5 s ILE 93 N 0.39 0.84 -0.24 0.00 -4.36 0.13 0.18 121.20 118.15 3cf5 s ILE 93 Ca 0.30 -1.03 -0.29 0.00 -0.26 0.00 0.00 60.65 59.38 3cf5 s ILE 93 Cb -0.17 -1.43 -0.03 0.00 1.25 0.00 0.00 42.46 42.09 3cf5 s ILE 93 CO 0.14 -0.39 1.66 -0.75 0.24 0.00 0.00 174.94 175.84 3cf5 s LYS 94 N 1.68 3.71 0.57 0.37 2.20 -0.47 -3.30 119.74 124.49 3cf5 s LYS 94 Ca 0.03 1.63 -0.17 0.00 -0.36 0.00 0.00 55.97 57.10 3cf5 s LYS 94 Cb -0.17 -4.07 -0.05 0.00 -1.51 0.00 0.00 37.83 32.03 3cf5 s LYS 94 CO -0.15 -1.40 1.05 0.42 -0.36 0.00 0.00 175.35 174.91 3cf5 s ILE 95 N 5.53 3.83 0.00 5.43 -1.09 0.86 -1.37 121.20 134.38 3cf5 s ILE 95 Ca 0.73 0.92 0.00 0.00 -2.23 0.00 0.00 60.65 60.07 3cf5 s ILE 95 Cb -0.25 -3.41 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 3cf5 s ILE 95 CO 0.30 -0.46 0.00 -0.11 -1.23 0.00 0.00 174.94 173.44 3cf5 n LEU 96 N -1.81 0.00 -2.48 2.97 7.94 -0.12 -3.41 117.00 120.08 3cf5 n LEU 96 Ca 0.09 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.76 3cf5 n LEU 96 Cb 0.53 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.50 3cf5 n LEU 96 CO 0.46 0.00 -0.72 0.61 -1.11 0.00 0.00 177.39 176.63 3cf5 n GLY 97 N 0.00 -2.65 0.00 -3.96 0.00 0.26 -4.71 105.19 94.13 3cf5 n GLY 97 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3cf5 n GLY 97 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71