#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fic n ALA 20 N 0.00 0.00 -2.15 3.14 0.00 -1.26 -5.13 120.51 115.12 3fic n ALA 20 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3fic n ALA 20 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3fic n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3fic s LYS 21 N 0.00 3.89 0.57 0.00 -0.14 -1.26 -4.86 119.74 117.93 3fic s LYS 21 Ca 0.00 1.70 0.27 0.00 -1.36 0.00 0.00 55.97 56.58 3fic s LYS 21 Cb 0.00 -4.00 1.54 0.00 -1.68 0.00 0.00 37.83 33.69 3fic s LYS 21 CO 0.00 -1.18 2.06 0.28 -0.76 0.00 0.00 175.35 175.75 3fic h VAL 22 N 6.01 0.57 -0.55 3.17 2.07 -1.66 -2.17 116.25 123.69 3fic h VAL 22 Ca -0.33 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.30 3fic h VAL 22 Cb 1.15 0.80 -0.10 0.00 -1.52 0.00 0.00 31.29 31.62 3fic h VAL 22 CO 1.00 0.00 -0.06 0.50 0.02 0.00 0.00 177.57 179.03 3fic h LYS 23 N 0.00 0.06 0.10 1.57 1.63 -1.75 -2.49 116.57 115.69 3fic h LYS 23 Ca 0.13 -0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.65 3fic h LYS 23 Cb 0.65 -0.01 0.02 0.00 -0.60 0.00 0.00 32.23 32.29 3fic h LYS 23 CO -0.00 0.04 -1.19 0.00 -3.45 0.00 0.00 179.45 174.85 3fic h ALA 24 N 1.52 0.10 0.00 5.00 0.00 -1.73 -3.31 119.26 120.84 3fic h ALA 24 Ca 0.28 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3fic h ALA 24 Cb 0.43 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3fic h ALA 24 CO -0.51 0.78 0.64 1.15 0.00 0.00 0.00 179.25 181.32 3fic h THR 25 N 0.21 0.00 -4.40 0.00 2.02 -1.29 -3.40 112.91 106.05 3fic h THR 25 Ca -0.15 0.00 -0.38 0.00 0.77 0.00 0.00 66.41 66.64 3fic h THR 25 Cb 1.86 0.09 -0.08 0.00 -1.74 0.00 0.00 68.15 68.28 3fic h THR 25 CO 0.22 0.00 -0.30 0.18 0.37 0.00 0.00 175.52 175.98 3fic n LEU 26 N -1.89 0.00 0.00 2.58 4.77 -1.24 -5.10 117.00 116.12 3fic n LEU 26 Ca -0.00 -2.03 0.00 0.00 -0.03 0.00 0.00 56.01 53.95 3fic n LEU 26 Cb 0.65 0.49 0.00 0.00 -2.33 0.00 0.00 43.42 42.23 3fic n LEU 26 CO 0.02 -0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.38 3fic n GLY 27 N 0.63 2.89 3.55 -0.72 0.00 -1.26 -4.99 105.19 105.29 3fic n GLY 27 Ca -0.08 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 3fic n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fic s GLU 28 N 4.51 3.94 -0.18 1.61 2.02 -1.26 -4.96 118.70 124.38 3fic s GLU 28 Ca 0.00 -1.97 -0.04 0.00 0.02 0.00 0.00 54.97 52.98 3fic s GLU 28 Cb 0.00 -5.40 -0.02 0.00 0.10 0.00 0.00 34.13 28.80 3fic s GLU 28 CO 0.00 -2.14 -0.02 -0.59 0.02 0.00 0.00 175.26 172.52 3fic s PHE 29 N 3.80 3.03 -0.67 1.61 -0.12 -1.26 -5.04 117.98 119.33 3fic s PHE 29 Ca 0.50 -0.40 -0.26 0.00 -0.05 0.00 0.00 56.93 56.72 3fic s PHE 29 Cb 0.02 -2.02 -0.05 0.00 -0.63 0.00 0.00 43.02 40.34 3fic s PHE 29 CO 0.03 -0.16 2.04 0.34 -0.05 0.00 0.00 175.22 177.43 3fic s ASP 30 N 0.71 4.95 0.00 1.98 2.15 -1.26 -4.79 116.67 120.41 3fic s ASP 30 Ca -0.01 0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.20 3fic s ASP 30 Cb -0.14 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 3fic s ASP 30 CO 0.02 -2.70 1.70 0.00 -0.17 0.00 0.00 175.17 174.03 3fic n LEU 31 N 14.19 4.60 -0.24 -1.34 -0.00 -1.26 -1.98 117.00 130.97 3fic n LEU 31 Ca 0.30 -2.10 0.03 0.00 -0.00 0.00 0.00 56.01 54.25 3fic n LEU 31 Cb 0.51 -0.95 0.05 0.00 -0.00 0.00 0.00 43.42 43.02 3fic n LEU 31 CO 0.67 0.86 0.38 -1.14 -0.00 0.00 0.00 177.39 178.16 3fic n ARG 32 N 1.36 0.73 -3.90 1.47 3.00 -1.26 -4.37 116.66 113.68 3fic n ARG 32 Ca 0.00 -1.50 -0.35 0.00 -0.00 0.00 0.00 57.85 56.00 3fic n ARG 32 Cb 0.47 -0.88 -0.14 0.00 0.00 0.00 0.00 32.46 31.91 3fic n ARG 32 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3fic s ASP 33 N -1.47 4.43 -0.49 6.15 3.68 -0.84 -5.00 116.67 123.14 3fic s ASP 33 Ca 0.10 -0.36 -0.02 0.00 2.13 0.00 0.00 52.55 54.41 3fic s ASP 33 Cb 0.09 -1.77 0.30 0.00 -1.45 0.00 0.00 42.92 40.09 3fic s ASP 33 CO 0.01 -0.02 2.08 0.00 0.13 0.00 0.00 175.17 177.38 3fic n TYR 34 N 4.78 2.27 0.00 -5.34 0.18 -1.26 -4.28 117.16 113.51 3fic n TYR 34 Ca -0.18 -2.40 0.00 0.00 1.88 0.00 0.00 57.90 57.20 3fic n TYR 34 Cb 0.51 -1.19 0.00 0.00 -0.38 0.00 0.00 39.34 38.28 3fic n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3fic n ARG 35 N -0.14 0.00 -0.50 -3.48 1.74 -1.26 -4.44 116.66 108.57 3fic n ARG 35 Ca 0.45 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.46 3fic n ARG 35 Cb 0.59 -0.36 -0.08 0.00 -1.02 0.00 0.00 32.46 31.59 3fic n ARG 35 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3fic n ASN 36 N -0.65 2.72 -0.19 0.55 6.94 -1.26 -4.66 115.26 118.71 3fic n ASN 36 Ca 0.00 -2.01 -0.01 0.00 -0.02 0.00 0.00 54.58 52.55 3fic n ASN 36 Cb 0.00 -0.72 0.02 0.00 -2.36 0.00 0.00 39.78 36.71 3fic n ASN 36 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 3fic n VAL 37 N 2.90 -0.26 -0.30 3.53 0.24 -1.26 -0.10 118.33 123.07 3fic n VAL 37 Ca 0.23 1.16 0.06 0.00 -2.04 0.00 0.00 64.34 63.75 3fic n VAL 37 Cb 0.42 -1.53 0.15 0.00 -1.47 0.00 0.00 33.84 31.41 3fic n VAL 37 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3fic h GLU 38 N 0.00 0.02 0.00 7.34 5.08 -1.96 1.55 114.58 126.61 3fic h GLU 38 Ca 0.17 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3fic h GLU 38 Cb 0.29 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3fic h GLU 38 CO -0.49 0.01 0.00 0.28 -1.00 0.00 0.00 179.01 177.81 3fic n VAL 39 N -5.50 0.00 -0.39 3.13 0.31 0.85 -2.49 118.33 114.23 3fic n VAL 39 Ca 0.15 1.19 -0.10 0.00 -0.01 0.00 0.00 64.34 65.56 3fic n VAL 39 Cb 0.50 -2.12 -0.09 0.00 -0.91 0.00 0.00 33.84 31.22 3fic n VAL 39 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3fic n LEU 40 N -1.15 -0.99 -0.26 7.52 4.77 -0.79 0.15 117.00 126.24 3fic n LEU 40 Ca 0.00 1.69 0.29 0.00 -0.03 0.00 0.00 56.01 57.97 3fic n LEU 40 Cb 0.00 -0.23 0.45 0.00 -2.33 0.00 0.00 43.42 41.31 3fic n LEU 40 CO 0.00 -1.37 1.20 1.17 -1.33 0.00 0.00 177.39 177.06 3fic n LYS 41 N -5.15 0.01 0.00 3.23 3.00 0.52 0.16 118.16 119.94 3fic n LYS 41 Ca 0.02 0.96 0.10 0.00 -0.00 0.00 0.00 58.31 59.39 3fic n LYS 41 Cb 0.24 -2.37 0.50 0.00 0.00 0.00 0.00 35.03 33.41 3fic n LYS 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3fic n ARG 42 N -3.20 0.20 -2.45 1.64 0.63 0.39 -3.52 116.66 110.36 3fic n ARG 42 Ca 0.24 0.11 -0.32 0.00 -0.92 0.00 0.00 57.85 56.96 3fic n ARG 42 Cb 1.50 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 32.91 3fic n ARG 42 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3fic n PHE 43 N -1.36 3.35 -2.74 -0.14 3.01 0.43 -4.79 117.46 115.22 3fic n PHE 43 Ca 0.08 -3.01 -0.01 0.00 1.01 0.00 0.00 57.45 55.53 3fic n PHE 43 Cb 0.19 -0.61 0.08 0.00 -0.01 0.00 0.00 39.48 39.12 3fic n PHE 43 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3fic n LEU 44 N -0.39 0.35 0.00 4.37 4.32 -1.23 -3.37 117.00 121.05 3fic n LEU 44 Ca 0.42 -3.03 0.00 0.00 -0.02 0.00 0.00 56.01 53.38 3fic n LEU 44 Cb 0.44 0.30 0.00 0.00 -1.62 0.00 0.00 43.42 42.54 3fic n LEU 44 CO 0.41 1.28 0.00 -1.54 -1.22 0.00 0.00 177.39 176.32 3fic n SER 45 N -0.90 0.00 -0.94 -1.43 3.41 -1.25 -2.79 113.62 109.70 3fic n SER 45 Ca -0.03 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.60 3fic n SER 45 Cb 0.84 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.81 3fic n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fic n GLU 46 N 14.00 0.10 0.00 4.33 -0.58 -1.26 -4.73 120.64 132.50 3fic n GLU 46 Ca 0.00 -1.59 0.00 0.00 -0.42 0.00 0.00 57.16 55.15 3fic n GLU 46 Cb 0.00 -0.35 0.00 0.00 -0.57 0.00 0.00 31.44 30.52 3fic n GLU 46 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3fic n THR 47 N 0.14 0.00 0.00 2.62 -1.04 -1.24 -4.51 114.28 110.25 3fic n THR 47 Ca 0.04 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 3fic n THR 47 Cb 0.90 1.04 0.00 0.00 -1.82 0.00 0.00 70.33 70.45 3fic n THR 47 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fic n GLY 48 N 0.51 1.77 3.63 3.41 0.00 -1.12 -1.93 105.19 111.45 3fic n GLY 48 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3fic n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fic n LYS 49 N -1.77 1.66 -1.18 1.61 4.76 -1.25 -4.82 118.16 117.17 3fic n LYS 49 Ca 0.00 0.59 -0.30 0.00 -2.87 0.00 0.00 58.31 55.72 3fic n LYS 49 Cb 0.00 -2.08 0.12 0.00 -1.84 0.00 0.00 35.03 31.24 3fic n LYS 49 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3fic s ILE 50 N -0.78 2.87 -0.08 -0.18 -1.09 -1.26 -3.91 121.20 116.76 3fic s ILE 50 Ca 0.61 0.28 -0.01 0.00 -2.23 0.00 0.00 60.65 59.31 3fic s ILE 50 Cb -0.67 -2.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.45 3fic s ILE 50 CO 0.58 -0.37 -0.03 -0.76 -1.23 0.00 0.00 174.94 173.13 3fic s LEU 51 N -6.15 3.38 0.78 2.97 1.43 -1.22 -4.87 118.68 115.01 3fic s LEU 51 Ca 0.63 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.69 3fic s LEU 51 Cb -0.18 -1.76 0.06 0.00 0.03 0.00 0.00 46.19 44.34 3fic s LEU 51 CO 0.57 0.37 1.09 -2.16 0.23 0.00 0.00 176.35 176.45 3fic s PRO 52 N -0.86 2.16 0.48 1.29 0.04 -1.26 -4.68 135.00 132.17 3fic s PRO 52 Ca 0.13 1.13 0.14 0.00 0.04 0.00 0.00 61.00 62.44 3fic s PRO 52 Cb -0.11 -1.89 1.12 0.00 0.04 0.00 0.00 34.50 33.66 3fic s PRO 52 CO 0.02 -1.70 2.08 0.00 0.04 0.00 0.00 177.00 177.44 3fic h ARG 53 N -1.17 0.08 0.00 4.56 3.08 -1.95 0.25 114.38 119.23 3fic h ARG 53 Ca -0.44 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3fic h ARG 53 Cb 1.24 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3fic h ARG 53 CO 0.52 0.11 0.03 0.54 -1.07 0.00 0.00 179.97 180.10 3fic n ARG 54 N -4.46 0.00 0.00 0.04 1.74 -1.26 0.10 116.66 112.82 3fic n ARG 54 Ca -0.02 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3fic n ARG 54 Cb 0.14 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 3fic n ARG 54 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3fic n ARG 55 N -0.94 0.00 -0.37 5.56 5.12 -0.74 -4.81 116.66 120.49 3fic n ARG 55 Ca 0.00 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.93 3fic n ARG 55 Cb 0.03 -0.03 0.16 0.00 -1.16 0.00 0.00 32.46 31.46 3fic n ARG 55 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3fic h THR 56 N 0.00 1.14 -0.49 0.55 1.35 -0.83 -3.01 112.91 111.62 3fic h THR 56 Ca 0.00 -0.42 -0.21 0.00 -0.55 0.00 0.00 66.41 65.23 3fic h THR 56 Cb 0.00 -0.20 -0.08 0.00 -1.73 0.00 0.00 68.15 66.14 3fic h THR 56 CO 0.00 0.22 -0.19 0.61 -0.25 0.00 0.00 175.52 175.91 3fic n GLY 57 N -1.37 1.13 3.94 5.82 0.00 0.28 -2.63 105.19 112.37 3fic n GLY 57 Ca 0.14 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 3fic n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fic s LEU 58 N -2.32 2.80 0.36 0.99 1.02 -1.26 -4.86 118.68 115.40 3fic s LEU 58 Ca 0.00 0.21 -0.09 0.00 0.02 0.00 0.00 54.13 54.27 3fic s LEU 58 Cb 0.00 -2.56 -0.06 0.00 0.02 0.00 0.00 46.19 43.59 3fic s LEU 58 CO 0.00 -2.08 0.69 -0.55 0.02 0.00 0.00 176.35 174.43 3fic s SER 59 N -4.71 6.52 0.09 2.29 0.15 -1.26 -4.77 113.70 112.00 3fic s SER 59 Ca 0.67 1.01 -0.21 0.00 0.70 0.00 0.00 55.95 58.11 3fic s SER 59 Cb -0.07 -2.27 -0.07 0.00 -1.71 0.00 0.00 66.02 61.90 3fic s SER 59 CO 0.48 -0.31 1.36 0.00 1.20 0.00 0.00 173.24 175.96 3fic h ALA 60 N 1.49 -0.59 -1.00 5.45 0.00 -1.98 0.85 119.26 123.48 3fic h ALA 60 Ca -0.47 0.01 0.38 0.00 0.00 0.00 0.00 54.91 54.83 3fic h ALA 60 Cb 1.19 1.01 -0.18 0.00 0.00 0.00 0.00 17.79 19.81 3fic h ALA 60 CO 0.65 -0.77 0.45 -0.22 0.00 0.00 0.00 179.25 179.35 3fic h LYS 61 N -0.23 0.03 0.15 0.00 3.64 -1.99 0.19 116.57 118.35 3fic h LYS 61 Ca 0.05 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3fic h LYS 61 Cb 0.38 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3fic h LYS 61 CO -0.41 0.02 -0.07 0.93 -2.27 0.00 0.00 179.45 177.65 3fic h GLU 62 N 0.03 -0.19 -0.96 1.90 5.08 -0.74 -2.72 114.58 116.98 3fic h GLU 62 Ca 0.79 0.01 0.35 0.00 -1.00 0.00 0.00 59.36 59.52 3fic h GLU 62 Cb 2.00 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 31.18 3fic h GLU 62 CO -0.78 -0.13 0.59 0.94 -1.00 0.00 0.00 179.01 178.63 3fic n GLN 63 N -3.08 -0.03 0.00 2.33 -0.06 0.25 -0.53 117.38 116.25 3fic n GLN 63 Ca -0.02 0.99 0.00 0.00 -2.00 0.00 0.00 57.00 55.97 3fic n GLN 63 Cb 0.08 -1.90 0.00 0.00 -4.06 0.00 0.00 30.24 24.36 3fic n GLN 63 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3fic n ARG 64 N -4.39 0.00 -0.30 3.69 1.74 0.45 -1.77 116.66 116.07 3fic n ARG 64 Ca 0.30 0.00 0.25 0.00 -0.77 0.00 0.00 57.85 57.64 3fic n ARG 64 Cb 1.13 -0.62 0.39 0.00 -1.02 0.00 0.00 32.46 32.34 3fic n ARG 64 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3fic n ILE 65 N -0.39 0.00 0.03 0.55 -6.64 -0.19 0.38 119.36 113.10 3fic n ILE 65 Ca 0.00 0.81 -0.02 0.00 -1.77 0.00 0.00 62.75 61.78 3fic n ILE 65 Cb 0.00 -1.39 -0.01 0.00 -1.44 0.00 0.00 39.64 36.80 3fic n ILE 65 CO 0.00 0.00 0.00 0.25 -1.77 0.00 0.00 176.55 175.03 3fic h LEU 66 N 0.00 -0.09 -1.14 7.28 5.85 -0.83 -2.27 115.31 124.11 3fic h LEU 66 Ca 0.45 0.00 0.43 0.00 0.84 0.00 0.00 57.88 59.60 3fic h LEU 66 Cb 2.01 0.02 -0.15 0.00 0.37 0.00 0.00 40.66 42.92 3fic h LEU 66 CO -0.00 0.04 0.69 0.00 -0.34 0.00 0.00 178.44 178.83 3fic n ALA 67 N -2.22 1.15 -0.50 1.25 0.00 0.16 -0.06 120.51 120.28 3fic n ALA 67 Ca -0.01 0.88 0.00 0.00 0.00 0.00 0.00 53.44 54.31 3fic n ALA 67 Cb 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3fic n ALA 67 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fic n LYS 68 N -4.83 0.00 -0.28 0.00 4.01 -0.94 -1.67 118.16 114.46 3fic n LYS 68 Ca 0.37 0.25 0.19 0.00 -0.51 0.00 0.00 58.31 58.61 3fic n LYS 68 Cb 1.36 -1.07 0.35 0.00 -0.51 0.00 0.00 35.03 35.16 3fic n LYS 68 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3fic n THR 69 N -1.25 -0.35 0.01 -0.18 -2.24 -0.04 0.43 114.28 110.66 3fic n THR 69 Ca 0.00 1.75 -0.01 0.00 -2.27 0.00 0.00 64.05 63.52 3fic n THR 69 Cb 0.00 -2.68 -0.00 0.00 -2.10 0.00 0.00 70.33 65.54 3fic n THR 69 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3fic h ILE 70 N 0.00 0.00 -1.00 2.28 1.08 -0.46 -1.72 117.51 117.69 3fic h ILE 70 Ca 0.59 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 65.25 3fic h ILE 70 Cb 1.41 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 34.98 3fic h ILE 70 CO -0.71 0.00 -0.28 0.11 -0.69 0.00 0.00 178.15 176.58 3fic h LYS 71 N -0.04 -0.00 -0.17 2.37 1.57 0.90 0.18 116.57 121.38 3fic h LYS 71 Ca -0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3fic h LYS 71 Cb 0.03 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 3fic h LYS 71 CO -0.00 -0.00 -0.40 0.00 -0.57 0.00 0.00 179.45 178.48 3fic h ARG 72 N -0.00 -0.36 -0.18 3.15 3.08 -0.62 -0.54 114.38 118.92 3fic h ARG 72 Ca 0.45 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.58 3fic h ARG 72 Cb 0.70 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.78 3fic h ARG 72 CO -1.02 -0.24 -0.18 0.00 -1.07 0.00 0.00 179.97 177.46 3fic h ALA 73 N -0.53 -0.08 -0.95 0.04 0.00 -0.13 0.23 119.26 117.84 3fic h ALA 73 Ca 0.03 0.06 0.38 0.00 0.00 0.00 0.00 54.91 55.39 3fic h ALA 73 Cb 0.47 0.38 -0.17 0.00 0.00 0.00 0.00 17.79 18.47 3fic h ALA 73 CO -0.36 -0.62 0.47 -2.13 0.00 0.00 0.00 179.25 176.60 3fic n ARG 74 N -5.33 -0.06 0.09 0.00 0.63 0.45 0.28 116.66 112.71 3fic n ARG 74 Ca -0.02 1.32 -0.06 0.00 -0.92 0.00 0.00 57.85 58.17 3fic n ARG 74 Cb 0.25 -2.34 0.09 0.00 0.45 0.00 0.00 32.46 30.91 3fic n ARG 74 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3fic h ILE 75 N 0.00 1.42 0.00 5.15 2.04 0.10 -2.26 117.51 123.96 3fic h ILE 75 Ca 0.78 -2.15 0.00 0.00 1.00 0.00 0.00 64.86 64.49 3fic h ILE 75 Cb 2.04 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 40.25 3fic h ILE 75 CO -0.74 0.63 0.00 0.18 0.00 0.00 0.00 178.15 178.22 3fic n LEU 76 N -3.81 0.00 -0.62 1.44 7.99 0.80 -4.83 117.00 117.97 3fic n LEU 76 Ca -0.03 0.16 -0.02 0.00 -0.01 0.00 0.00 56.01 56.11 3fic n LEU 76 Cb 0.67 -0.16 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 3fic n LEU 76 CO 0.45 -0.07 0.01 0.61 -1.51 0.00 0.00 177.39 176.88 3fic n GLY 77 N 0.10 0.73 0.06 -0.72 0.00 -0.67 -4.95 105.19 99.74 3fic n GLY 77 Ca 0.10 -0.65 0.01 0.00 0.00 0.00 0.00 46.02 45.48 3fic n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fic n LEU 78 N -0.72 0.89 -3.76 0.99 4.77 -1.15 -5.00 117.00 113.02 3fic n LEU 78 Ca -0.00 -0.87 -0.13 0.00 -0.03 0.00 0.00 56.01 54.98 3fic n LEU 78 Cb 0.51 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.46 3fic n LEU 78 CO 0.04 0.21 -0.17 -0.76 -1.33 0.00 0.00 177.39 175.38 3fic s LEU 79 N -0.68 0.82 -0.02 2.23 1.43 -1.26 -4.88 118.68 116.31 3fic s LEU 79 Ca 0.02 0.39 -0.35 0.00 -1.03 0.00 0.00 54.13 53.17 3fic s LEU 79 Cb 0.02 0.57 -0.13 0.00 0.03 0.00 0.00 46.19 46.68 3fic s LEU 79 CO 0.04 -0.13 1.77 -2.65 0.23 0.00 0.00 176.35 175.61 3fic n PRO 80 N 3.81 2.07 0.06 1.29 -0.02 -1.26 -4.53 135.00 136.42 3fic n PRO 80 Ca -0.21 0.76 -0.09 0.00 -2.02 0.00 0.00 63.50 61.93 3fic n PRO 80 Cb 0.54 -2.56 0.04 0.00 -0.02 0.00 0.00 33.50 31.51 3fic n PRO 80 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3fic h PHE 81 N 8.00 0.48 -2.13 6.00 -1.00 -1.89 -3.45 116.94 122.95 3fic h PHE 81 Ca -0.47 -0.21 0.14 0.00 2.81 0.00 0.00 57.97 60.24 3fic h PHE 81 Cb 1.27 -0.08 -0.15 0.00 3.61 0.00 0.00 35.95 40.60 3fic h PHE 81 CO 0.79 0.95 0.55 0.99 -1.61 0.00 0.00 178.31 179.99 3fic s THR 82 N -3.62 0.00 -0.29 -1.55 2.01 -1.26 -4.72 115.64 106.21 3fic s THR 82 Ca -0.05 -0.03 -0.15 0.00 0.31 0.00 0.00 61.69 61.76 3fic s THR 82 Cb 0.11 -1.06 0.11 0.00 0.01 0.00 0.00 72.50 71.67 3fic s THR 82 CO 0.83 0.00 0.78 -1.83 -0.69 0.00 0.00 174.62 173.71 3fic s GLU 83 N -2.99 0.57 0.78 4.92 -1.05 -0.81 -4.93 118.70 115.19 3fic s GLU 83 Ca 0.06 1.09 -0.13 0.00 -0.15 0.00 0.00 54.97 55.84 3fic s GLU 83 Cb -0.01 0.27 0.07 0.00 -0.44 0.00 0.00 34.13 34.01 3fic s GLU 83 CO -0.08 -0.14 1.17 0.15 0.95 0.00 0.00 175.26 177.32 3fic s LYS 84 N 1.83 1.88 0.27 -4.83 -0.14 -1.26 -4.19 119.74 113.29 3fic s LYS 84 Ca -0.09 1.62 -0.27 0.00 -1.36 0.00 0.00 55.97 55.87 3fic s LYS 84 Cb -0.06 -1.82 -0.09 0.00 -1.68 0.00 0.00 37.83 34.18 3fic s LYS 84 CO -0.18 -2.00 0.91 -1.17 -0.76 0.00 0.00 175.35 172.15 3fic s LEU 85 N -5.62 4.48 -0.24 3.17 2.96 -1.26 -4.87 118.68 117.31 3fic s LEU 85 Ca 0.70 1.84 -0.05 0.00 -0.22 0.00 0.00 54.13 56.40 3fic s LEU 85 Cb -0.26 -3.76 -0.01 0.00 0.50 0.00 0.00 46.19 42.66 3fic s LEU 85 CO 0.50 0.05 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.89 3fic s VAL 86 N -1.40 3.68 0.14 1.68 1.01 -1.26 -4.98 120.40 119.28 3fic s VAL 86 Ca 0.45 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.00 3fic s VAL 86 Cb -0.22 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.45 3fic s VAL 86 CO 0.27 0.37 0.00 -1.14 0.00 0.00 0.00 175.10 174.60 3fic n ARG 87 N 4.84 -2.32 0.00 2.72 0.63 -1.26 -5.25 116.66 116.02 3fic n ARG 87 Ca -0.17 1.66 0.13 0.00 -0.92 0.00 0.00 57.85 58.54 3fic n ARG 87 Cb 0.51 -2.11 0.21 0.00 0.45 0.00 0.00 32.46 31.51 3fic n ARG 87 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29