#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fac s LYS 2 N 0.00 4.57 -0.03 2.12 2.20 -1.26 -1.81 119.74 125.53 3fac s LYS 2 Ca 0.00 1.50 0.01 0.00 -0.36 0.00 0.00 55.97 57.13 3fac s LYS 2 Cb 0.00 -2.94 0.01 0.00 -1.51 0.00 0.00 37.83 33.40 3fac s LYS 2 CO 0.00 0.23 -0.06 0.20 -0.36 0.00 0.00 175.35 175.37 3fac s GLY 3 N -1.35 0.44 0.00 5.54 0.00 -0.51 -0.72 107.32 110.72 3fac s GLY 3 Ca 0.48 -0.14 -0.00 0.00 0.00 0.00 0.00 44.72 45.06 3fac s GLY 3 CO 0.30 0.22 0.00 -0.51 0.00 0.00 0.00 173.10 173.11 3fac s THR 4 N 0.59 0.02 1.13 0.90 -4.23 -0.21 0.10 115.64 113.94 3fac s THR 4 Ca -0.08 -0.19 -0.19 0.00 -1.18 0.00 0.00 61.69 60.05 3fac s THR 4 Cb -0.11 -0.07 0.28 0.00 1.34 0.00 0.00 72.50 73.93 3fac s THR 4 CO 0.00 -0.11 1.11 0.00 -0.54 0.00 0.00 174.62 175.09 3fac h HIS 6 N -2.46 1.00 -1.00 0.00 2.76 -1.93 -3.20 115.15 110.32 3fac h HIS 6 Ca -0.40 -0.46 0.13 0.00 -2.20 0.00 0.00 60.37 57.44 3fac h HIS 6 Cb 1.20 -0.15 -0.09 0.00 1.55 0.00 0.00 27.41 29.92 3fac h HIS 6 CO 0.00 1.28 0.63 0.00 -1.30 0.00 0.00 177.93 178.54 3fac n GLY 8 N -1.35 3.23 0.26 0.00 0.00 -1.21 -4.93 105.19 101.19 3fac n GLY 8 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.25 3fac n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fac h ALA 9 N 0.00 0.93 -3.25 4.61 0.00 -1.88 -3.41 119.26 116.25 3fac h ALA 9 Ca 0.00 0.12 -0.62 0.00 0.00 0.00 0.00 54.91 54.41 3fac h ALA 9 Cb 0.00 0.12 -0.15 0.00 0.00 0.00 0.00 17.79 17.76 3fac h ALA 9 CO 0.00 -0.24 -0.55 0.08 0.00 0.00 0.00 179.25 178.54 3fac s VAL 10 N -6.05 4.93 -0.03 0.00 1.01 -1.26 -3.20 120.40 115.79 3fac s VAL 10 Ca -0.13 0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.87 3fac s VAL 10 Cb 0.19 -3.22 0.02 0.00 0.00 0.00 0.00 36.38 33.38 3fac s VAL 10 CO 0.75 0.47 -0.01 -0.70 0.00 0.00 0.00 175.10 175.61 3fac s GLU 11 N 0.26 0.43 0.30 2.72 2.12 0.10 -2.28 118.70 122.36 3fac s GLU 11 Ca 0.05 0.01 0.07 0.00 0.36 0.00 0.00 54.97 55.46 3fac s GLU 11 Cb -0.12 -0.55 -0.06 0.00 0.26 0.00 0.00 34.13 33.66 3fac s GLU 11 CO -0.00 -0.10 -0.06 0.96 -0.54 0.00 0.00 175.26 175.52 3fac s ILE 12 N 0.87 1.79 -0.12 -3.70 -4.36 0.11 0.91 121.20 116.70 3fac s ILE 12 Ca -0.09 -2.14 0.01 0.00 -0.26 0.00 0.00 60.65 58.16 3fac s ILE 12 Cb -0.13 -2.53 0.02 0.00 1.25 0.00 0.00 42.46 41.07 3fac s ILE 12 CO -0.01 -0.25 -0.12 -0.70 0.24 0.00 0.00 174.94 174.09 3fac s GLU 13 N -3.70 2.00 0.02 0.37 2.12 0.12 -1.43 118.70 118.20 3fac s GLU 13 Ca 0.31 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.18 3fac s GLU 13 Cb 0.04 -1.84 -0.02 0.00 0.26 0.00 0.00 34.13 32.57 3fac s GLU 13 CO 0.13 -0.18 -0.04 0.54 -0.54 0.00 0.00 175.26 175.18 3fac s VAL 14 N 1.36 0.17 -0.29 3.70 0.11 -0.75 -1.38 120.40 123.31 3fac s VAL 14 Ca 0.00 -0.90 0.03 0.00 -2.93 0.00 0.00 61.98 58.18 3fac s VAL 14 Cb -0.13 -0.30 0.08 0.00 -1.53 0.00 0.00 36.38 34.49 3fac s VAL 14 CO -0.06 -0.46 -0.04 -1.61 -3.33 0.00 0.00 175.10 169.59 3fac s GLU 15 N -1.42 1.84 0.79 1.54 0.41 -0.40 -2.27 118.70 119.19 3fac s GLU 15 Ca -0.15 -1.47 -0.14 0.00 -0.41 0.00 0.00 54.97 52.80 3fac s GLU 15 Cb -0.10 -2.93 0.05 0.00 -1.78 0.00 0.00 34.13 29.38 3fac s GLU 15 CO -0.01 -0.72 1.07 1.28 -0.49 0.00 0.00 175.26 176.40 3fac n LEU 16 N 4.42 3.80 0.06 1.80 4.77 -1.26 -4.49 117.00 126.10 3fac n LEU 16 Ca -0.07 0.60 -0.05 0.00 -0.03 0.00 0.00 56.01 56.45 3fac n LEU 16 Cb 0.42 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 3fac n LEU 16 CO 0.21 -1.94 0.14 0.25 -1.33 0.00 0.00 177.39 174.72 3fac h LEU 17 N -0.74 -0.22 -5.57 2.23 5.85 -1.77 -3.40 115.31 111.69 3fac h LEU 17 Ca -0.46 -0.06 -0.56 0.00 0.84 0.00 0.00 57.88 57.64 3fac h LEU 17 Cb 1.31 0.06 -0.41 0.00 0.37 0.00 0.00 40.66 41.98 3fac h LEU 17 CO 0.45 0.27 -0.82 -3.20 -0.34 0.00 0.00 178.44 174.80 3fac n ASN 18 N -4.95 3.23 0.00 1.25 5.15 -1.26 -5.07 115.26 113.61 3fac n ASN 18 Ca -0.04 -3.45 0.00 0.00 -0.60 0.00 0.00 54.58 50.49 3fac n ASN 18 Cb 0.14 -0.59 0.00 0.00 -0.53 0.00 0.00 39.78 38.80 3fac n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fac n GLY 19 N 0.00 2.22 0.66 8.20 0.00 -1.26 -2.70 105.19 112.31 3fac n GLY 19 Ca 0.29 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 46.13 3fac n GLY 19 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fac n PHE 20 N 14.00 0.36 -0.36 1.61 3.72 -1.26 -4.67 117.46 130.86 3fac n PHE 20 Ca 0.00 -0.33 0.04 0.00 -0.05 0.00 0.00 57.45 57.11 3fac n PHE 20 Cb 0.00 -0.02 0.20 0.00 -0.94 0.00 0.00 39.48 38.73 3fac n PHE 20 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fac h ALA 21 N 2.40 1.45 -0.32 4.37 0.00 -1.96 -2.03 119.26 123.18 3fac h ALA 21 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fac h ALA 21 Cb 0.69 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3fac h ALA 21 CO 0.00 0.36 0.00 -0.40 0.00 0.00 0.00 179.25 179.21 3fac n ASP 22 N -4.54 1.93 -4.66 0.00 5.68 -1.26 -4.95 116.55 108.75 3fac n ASP 22 Ca 0.17 -1.92 -0.52 0.00 -0.50 0.00 0.00 54.79 52.02 3fac n ASP 22 Cb 0.25 -0.21 -0.06 0.00 -1.14 0.00 0.00 41.12 39.96 3fac n ASP 22 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fac n ALA 23 N 0.53 0.16 -3.95 2.12 0.00 -0.76 -4.89 120.51 113.72 3fac n ALA 23 Ca 0.14 0.41 -0.14 0.00 0.00 0.00 0.00 53.44 53.84 3fac n ALA 23 Cb 0.32 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.46 3fac n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fac n ARG 24 N 4.56 0.55 -4.02 0.00 1.74 -1.13 -4.39 116.66 113.95 3fac n ARG 24 Ca 0.22 -2.55 -0.24 0.00 -0.77 0.00 0.00 57.85 54.51 3fac n ARG 24 Cb 0.22 2.35 -0.17 0.00 -1.02 0.00 0.00 32.46 33.84 3fac n ARG 24 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3fac s ARG 25 N -2.82 1.10 0.17 5.56 0.52 0.12 -2.13 118.95 121.47 3fac s ARG 25 Ca 0.28 -0.13 -0.25 0.00 -0.52 0.00 0.00 55.73 55.11 3fac s ARG 25 Cb -0.00 -1.19 -0.08 0.00 0.52 0.00 0.00 34.95 34.20 3fac s ARG 25 CO 0.20 -0.19 0.77 0.00 0.02 0.00 0.00 175.30 176.09 3fac n ASP 27 N 1.51 3.17 -4.74 0.00 5.75 -1.25 -3.38 116.55 117.61 3fac n ASP 27 Ca -0.06 -3.40 -0.30 0.00 -0.01 0.00 0.00 54.79 51.03 3fac n ASP 27 Cb 0.49 -0.59 0.12 0.00 -1.03 0.00 0.00 41.12 40.10 3fac n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fac h SER 29 N -1.38 0.18 0.00 0.00 4.64 -2.00 -0.98 113.55 114.02 3fac h SER 29 Ca -0.47 0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 60.77 3fac h SER 29 Cb 1.26 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 3fac h SER 29 CO 0.54 -0.01 -0.84 0.15 -0.87 0.00 0.00 176.83 175.80 3fac h PHE 30 N 0.14 0.00 -0.93 4.77 3.57 -1.96 -3.35 116.94 119.18 3fac h PHE 30 Ca 0.66 0.00 0.06 0.00 3.53 0.00 0.00 57.97 62.22 3fac h PHE 30 Cb 2.23 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.92 3fac h PHE 30 CO -0.00 0.99 0.60 0.00 -2.23 0.00 0.00 178.31 177.67 3fac h ARG 32 N 1.08 0.40 -0.11 0.00 0.11 -1.20 0.50 114.38 115.16 3fac h ARG 32 Ca 0.39 -0.07 -0.22 0.00 0.10 0.00 0.00 59.98 60.18 3fac h ARG 32 Cb 0.16 -0.07 0.01 0.00 1.11 0.00 0.00 29.97 31.18 3fac h ARG 32 CO -0.14 0.43 -0.82 0.00 0.10 0.00 0.00 179.97 179.53 3fac h ARG 33 N 0.39 0.69 -0.29 0.08 3.08 -1.42 -2.97 114.38 113.94 3fac h ARG 33 Ca 0.09 -0.60 -0.08 0.00 0.07 0.00 0.00 59.98 59.46 3fac h ARG 33 Cb 0.26 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3fac h ARG 33 CO 0.01 1.21 -0.15 -0.09 -1.07 0.00 0.00 179.97 179.87 3fac h ARG 34 N 0.46 0.51 -0.14 0.04 2.43 -0.93 -3.47 114.38 113.29 3fac h ARG 34 Ca -0.06 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 58.89 3fac h ARG 34 Cb 1.44 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.92 3fac h ARG 34 CO 0.16 0.65 -0.05 0.41 -1.51 0.00 0.00 179.97 179.63 3fac n GLY 35 N -0.56 0.33 3.92 2.80 0.00 0.13 -5.00 105.19 106.81 3fac n GLY 35 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3fac n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fac s ALA 36 N -1.36 3.41 -0.22 4.61 0.00 -1.26 -5.07 121.76 121.86 3fac s ALA 36 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 3fac s ALA 36 Cb 0.00 -2.54 -0.05 0.00 0.00 0.00 0.00 23.12 20.53 3fac s ALA 36 CO 0.00 -0.51 0.19 0.42 0.00 0.00 0.00 175.76 175.86 3fac s ILE 37 N -2.80 5.35 0.09 0.00 1.01 -1.26 -4.69 121.20 118.89 3fac s ILE 37 Ca 0.50 0.27 0.07 0.00 0.00 0.00 0.00 60.65 61.49 3fac s ILE 37 Cb -0.10 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 3fac s ILE 37 CO 0.44 0.36 -0.13 0.00 0.00 0.00 0.00 174.94 175.60 3fac s ALA 38 N 0.91 2.83 -0.01 9.38 0.00 -0.91 -2.28 121.76 131.68 3fac s ALA 38 Ca 0.10 -1.25 0.07 0.00 0.00 0.00 0.00 51.96 50.88 3fac s ALA 38 Cb -0.13 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 3fac s ALA 38 CO 0.04 0.62 -0.23 0.00 0.00 0.00 0.00 175.76 176.18 3fac s ALA 39 N -1.14 1.94 0.68 0.00 0.00 -0.32 -2.86 121.76 120.06 3fac s ALA 39 Ca 0.19 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.00 3fac s ALA 39 Cb -0.11 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.53 3fac s ALA 39 CO 0.11 0.47 1.07 0.99 0.00 0.00 0.00 175.76 178.41 3fac s THR 40 N -0.58 3.68 -0.28 0.00 2.01 -1.26 -1.14 115.64 118.07 3fac s THR 40 Ca 0.09 0.65 -0.23 0.00 0.31 0.00 0.00 61.69 62.51 3fac s THR 40 Cb -0.09 -3.23 0.11 0.00 0.01 0.00 0.00 72.50 69.29 3fac s THR 40 CO -0.01 -0.61 0.92 0.00 -0.69 0.00 0.00 174.62 174.23 3fac s ALA 41 N -2.73 -1.96 0.69 7.40 0.00 -0.79 -2.07 121.76 122.30 3fac s ALA 41 Ca 0.62 2.02 -0.15 0.00 0.00 0.00 0.00 51.96 54.44 3fac s ALA 41 Cb -0.16 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.55 3fac s ALA 41 CO 0.48 -0.29 1.16 1.03 0.00 0.00 0.00 175.76 178.13 3fac s ARG 42 N 0.58 2.52 0.09 0.00 0.52 -1.26 0.62 118.95 122.01 3fac s ARG 42 Ca -0.01 1.58 -0.36 0.00 -0.52 0.00 0.00 55.73 56.42 3fac s ARG 42 Cb -0.05 -1.90 -0.17 0.00 0.52 0.00 0.00 34.95 33.35 3fac s ARG 42 CO -0.07 -1.50 1.56 -0.07 0.02 0.00 0.00 175.30 175.24 3fac h LEU 43 N -0.05 -1.43 -0.43 2.53 3.38 -1.73 -1.03 115.31 116.56 3fac h LEU 43 Ca -0.47 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3fac h LEU 43 Cb 1.27 0.47 0.00 0.00 0.09 0.00 0.00 40.66 42.50 3fac h LEU 43 CO 0.52 -0.67 0.07 -1.54 0.09 0.00 0.00 178.44 176.91 3fac n SER 44 N -5.56 0.17 -0.41 -0.43 3.41 -1.26 -1.28 113.62 108.25 3fac n SER 44 Ca -0.12 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 3fac n SER 44 Cb 0.46 -0.54 0.17 0.00 -0.26 0.00 0.00 64.21 64.05 3fac n SER 44 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3fac n ASP 45 N -1.69 1.64 -4.29 4.04 8.00 -0.40 -4.91 116.55 118.93 3fac n ASP 45 Ca -0.00 -1.28 -0.29 0.00 0.71 0.00 0.00 54.79 53.93 3fac n ASP 45 Cb 0.08 0.31 -0.15 0.00 -0.02 0.00 0.00 41.12 41.33 3fac n ASP 45 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3fac s LEU 46 N -2.45 2.11 -0.21 0.64 0.20 -0.41 -1.27 118.68 117.28 3fac s LEU 46 Ca 0.22 -0.50 -0.17 0.00 0.69 0.00 0.00 54.13 54.37 3fac s LEU 46 Cb 0.19 -1.20 0.06 0.00 -0.43 0.00 0.00 46.19 44.80 3fac s LEU 46 CO 0.53 0.26 0.55 -0.60 -0.29 0.00 0.00 176.35 176.80 3fac s ARG 47 N -0.90 0.61 -0.18 1.98 3.52 -0.48 -4.96 118.95 118.53 3fac s ARG 47 Ca 0.10 0.86 -0.27 0.00 -0.13 0.00 0.00 55.73 56.28 3fac s ARG 47 Cb -0.09 0.22 -0.00 0.00 -1.56 0.00 0.00 34.95 33.51 3fac s ARG 47 CO 0.01 -0.11 0.94 0.08 -0.81 0.00 0.00 175.30 175.41 3fac s VAL 48 N 0.75 4.79 -0.12 7.11 1.01 -1.26 0.15 120.40 132.83 3fac s VAL 48 Ca -0.04 1.85 -0.28 0.00 0.00 0.00 0.00 61.98 63.51 3fac s VAL 48 Cb -0.05 -4.23 -0.26 0.00 0.00 0.00 0.00 36.38 31.84 3fac s VAL 48 CO -0.06 -0.06 0.84 0.58 0.00 0.00 0.00 175.10 176.41 3fac h VAL 49 N 5.29 1.73 -3.46 2.92 2.07 0.23 -3.47 116.25 121.55 3fac h VAL 49 Ca -0.25 -2.22 -0.08 0.00 0.82 0.00 0.00 66.70 64.97 3fac h VAL 49 Cb 1.11 3.23 -0.15 0.00 -1.52 0.00 0.00 31.29 33.96 3fac h VAL 49 CO 0.89 0.58 -0.23 -0.60 0.02 0.00 0.00 177.57 178.23 3fac s ARG 50 N -2.49 0.89 0.00 1.57 3.52 -0.34 -4.92 118.95 117.18 3fac s ARG 50 Ca -0.18 -0.68 0.00 0.00 -0.13 0.00 0.00 55.73 54.74 3fac s ARG 50 Cb -0.02 0.38 0.00 0.00 -1.56 0.00 0.00 34.95 33.75 3fac s ARG 50 CO 0.70 -0.30 0.00 0.41 -0.81 0.00 0.00 175.30 175.30 3fac n GLY 51 N 0.20 0.70 0.36 8.12 0.00 -1.20 -0.72 105.19 112.65 3fac n GLY 51 Ca -0.17 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.05 3fac n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fac h ALA 52 N 0.00 1.92 0.00 4.61 0.00 -1.91 0.45 119.26 124.32 3fac h ALA 52 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3fac h ALA 52 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3fac h ALA 52 CO 0.00 -0.39 0.00 1.05 0.00 0.00 0.00 179.25 179.91 3fac h GLU 53 N 0.51 0.00 -0.14 0.00 9.09 -1.97 -2.30 114.58 119.78 3fac h GLU 53 Ca 0.65 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.06 3fac h GLU 53 Cb 1.35 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.45 3fac h GLU 53 CO -0.45 0.00 0.00 -1.71 0.05 0.00 0.00 179.01 176.90 3fac n ASN 54 N -2.38 2.08 -4.69 3.06 4.05 0.15 -4.86 115.26 112.67 3fac n ASN 54 Ca 0.03 -1.73 -0.38 0.00 0.45 0.00 0.00 54.58 52.94 3fac n ASN 54 Cb 0.29 -0.08 -0.07 0.00 1.23 0.00 0.00 39.78 41.15 3fac n ASN 54 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3fac s LEU 55 N -1.75 4.21 -0.07 1.20 1.43 -0.87 -1.53 118.68 121.31 3fac s LEU 55 Ca 0.34 0.70 -0.13 0.00 -1.03 0.00 0.00 54.13 54.01 3fac s LEU 55 Cb 0.20 -2.65 -0.05 0.00 0.03 0.00 0.00 46.19 43.71 3fac s LEU 55 CO 0.30 -0.07 0.34 -0.89 0.23 0.00 0.00 176.35 176.26 3fac s THR 56 N 1.08 5.19 -0.11 5.49 2.01 0.82 -4.90 115.64 125.23 3fac s THR 56 Ca 0.24 0.67 -0.08 0.00 0.31 0.00 0.00 61.69 62.83 3fac s THR 56 Cb -0.15 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 3fac s THR 56 CO 0.09 0.52 0.18 -0.22 -0.69 0.00 0.00 174.62 174.50 3fac s LEU 57 N -0.54 4.40 -0.09 4.42 2.96 -1.26 -2.21 118.68 126.36 3fac s LEU 57 Ca 0.21 0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 54.62 3fac s LEU 57 Cb -0.15 -2.15 0.04 0.00 0.50 0.00 0.00 46.19 44.43 3fac s LEU 57 CO 0.09 0.39 0.06 -0.47 -1.32 0.00 0.00 176.35 175.10 3fac s TYR 58 N -0.99 0.28 0.27 5.38 5.04 0.34 -4.99 117.35 122.67 3fac s TYR 58 Ca 0.16 -0.06 0.12 0.00 -2.44 0.00 0.00 57.07 54.84 3fac s TYR 58 Cb -0.13 -0.64 -0.05 0.00 0.35 0.00 0.00 41.96 41.50 3fac s TYR 58 CO 0.05 -0.34 -0.19 -0.65 -1.34 0.00 0.00 175.55 173.08 3fac s GLN 59 N 2.10 1.71 0.17 4.97 -0.21 -1.26 -2.43 119.66 124.70 3fac s GLN 59 Ca 0.04 -1.71 -0.23 0.00 0.02 0.00 0.00 55.36 53.48 3fac s GLN 59 Cb -0.14 -1.81 0.08 0.00 1.00 0.00 0.00 33.01 32.14 3fac s GLN 59 CO -0.05 0.34 1.04 -0.59 -2.12 0.00 0.00 175.29 173.91 3fac s PHE 60 N -2.37 0.03 0.00 0.91 -0.12 -1.26 -4.99 117.98 110.18 3fac s PHE 60 Ca 0.29 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.77 3fac s PHE 60 Cb -0.06 0.68 0.00 0.00 -0.63 0.00 0.00 43.02 43.02 3fac s PHE 60 CO 0.15 -0.87 0.00 0.41 -0.05 0.00 0.00 175.22 174.86 3fac n GLY 61 N -0.66 4.19 0.07 1.99 0.00 -1.26 -0.13 105.19 109.39 3fac n GLY 61 Ca -0.03 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.19 3fac n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fac n THR 62 N 0.00 0.68 -2.00 2.61 -2.24 -1.26 -4.88 114.28 107.19 3fac n THR 62 Ca 0.00 0.08 -0.20 0.00 -2.27 0.00 0.00 64.05 61.65 3fac n THR 62 Cb 0.00 -0.88 -0.05 0.00 -2.10 0.00 0.00 70.33 67.30 3fac n THR 62 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fac n ARG 63 N -1.95 -1.58 0.05 -0.78 1.74 0.82 -4.84 116.66 110.11 3fac n ARG 63 Ca 0.04 1.10 -0.02 0.00 -0.77 0.00 0.00 57.85 58.20 3fac n ARG 63 Cb 0.28 -5.62 -0.07 0.00 -1.02 0.00 0.00 32.46 26.02 3fac n ARG 63 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3fac h THR 64 N 0.00 0.80 -3.06 0.55 1.35 -1.90 -3.46 112.91 107.18 3fac h THR 64 Ca -0.45 -2.35 -0.56 0.00 -0.55 0.00 0.00 66.41 62.50 3fac h THR 64 Cb 1.35 2.29 -0.03 0.00 -1.73 0.00 0.00 68.15 70.03 3fac h THR 64 CO 0.59 0.45 -0.30 0.00 -0.25 0.00 0.00 175.52 176.02 3fac s ALA 65 N -2.85 3.78 -0.10 6.62 0.00 -1.26 -4.81 121.76 123.14 3fac s ALA 65 Ca -0.01 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.32 3fac s ALA 65 Cb 0.08 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 21.11 3fac s ALA 65 CO 0.80 0.53 -0.18 0.15 0.00 0.00 0.00 175.76 177.06 3fac s LYS 66 N -3.02 2.44 -0.11 0.00 1.02 -1.15 -4.63 119.74 114.29 3fac s LYS 66 Ca 0.41 -0.66 0.02 0.00 0.02 0.00 0.00 55.97 55.76 3fac s LYS 66 Cb -0.12 -1.94 -0.01 0.00 -0.52 0.00 0.00 37.83 35.24 3fac s LYS 66 CO 0.27 0.05 -0.19 -1.01 -0.92 0.00 0.00 175.35 173.56 3fac s HIS 67 N 0.65 2.68 0.07 3.18 3.76 -1.02 -0.77 115.29 123.84 3fac s HIS 67 Ca -0.13 -0.82 0.10 0.00 -0.15 0.00 0.00 55.06 54.05 3fac s HIS 67 Cb -0.16 -1.77 -0.03 0.00 1.11 0.00 0.00 32.58 31.73 3fac s HIS 67 CO 0.04 -0.30 -0.26 -1.58 -0.85 0.00 0.00 174.74 171.79 3fac s TRP 68 N 0.30 2.34 0.00 1.40 0.51 -0.75 -0.51 118.94 122.23 3fac s TRP 68 Ca -0.14 -0.39 -0.24 0.00 -2.12 0.00 0.00 56.10 53.21 3fac s TRP 68 Cb -0.17 -1.35 0.05 0.00 -0.81 0.00 0.00 33.47 31.20 3fac s TRP 68 CO 0.07 0.21 0.53 -0.59 -0.51 0.00 0.00 176.95 176.66 3fac s PHE 69 N -0.90 -0.46 -0.07 -1.98 -0.12 -0.94 -2.82 117.98 110.69 3fac s PHE 69 Ca 0.13 0.66 -0.30 0.00 -0.05 0.00 0.00 56.93 57.37 3fac s PHE 69 Cb -0.10 0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 3fac s PHE 69 CO 0.04 -0.58 1.41 0.00 -0.05 0.00 0.00 175.22 176.03 3fac n ARG 71 N 6.16 0.00 -0.08 0.00 1.85 -0.58 -0.17 116.66 123.84 3fac n ARG 71 Ca 0.14 0.28 -0.06 0.00 -1.00 0.00 0.00 57.85 57.21 3fac n ARG 71 Cb 0.44 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.33 3fac n ARG 71 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3fac n THR 72 N -1.50 1.42 1.02 8.89 -1.04 -1.26 -4.59 114.28 117.21 3fac n THR 72 Ca 0.03 0.19 0.12 0.00 -2.04 0.00 0.00 64.05 62.35 3fac n THR 72 Cb 0.15 -2.36 0.16 0.00 -1.82 0.00 0.00 70.33 66.45 3fac n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fac n GLY 74 N 1.49 0.37 3.70 0.00 0.00 0.76 -4.95 105.19 106.57 3fac n GLY 74 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3fac n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fac s ILE 75 N -1.79 4.84 -0.08 -0.61 -1.09 -1.25 -4.67 121.20 116.55 3fac s ILE 75 Ca 0.00 2.05 -0.30 0.00 -2.23 0.00 0.00 60.65 60.17 3fac s ILE 75 Cb 0.00 -4.31 -0.03 0.00 -1.58 0.00 0.00 42.46 36.54 3fac s ILE 75 CO 0.00 0.12 1.21 -0.47 -1.23 0.00 0.00 174.94 174.56 3fac s TYR 76 N 1.29 3.13 -0.18 3.97 5.04 -1.26 -1.73 117.35 127.60 3fac s TYR 76 Ca 0.51 1.18 -0.15 0.00 -2.44 0.00 0.00 57.07 56.18 3fac s TYR 76 Cb -0.20 -3.43 -0.07 0.00 0.35 0.00 0.00 41.96 38.60 3fac s TYR 76 CO 0.25 -1.37 -0.22 0.25 -1.34 0.00 0.00 175.55 173.13 3fac n THR 77 N 4.76 1.48 -3.84 4.34 -2.24 -1.13 -4.64 114.28 113.01 3fac n THR 77 Ca 0.11 0.08 -0.07 0.00 -2.27 0.00 0.00 64.05 61.90 3fac n THR 77 Cb 0.46 -2.26 -0.00 0.00 -2.10 0.00 0.00 70.33 66.42 3fac n THR 77 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3fac s HIS 78 N -2.54 -0.07 -0.04 4.78 -3.43 -1.25 -1.28 115.29 111.46 3fac s HIS 78 Ca -0.25 -0.45 -0.27 0.00 -0.80 0.00 0.00 55.06 53.29 3fac s HIS 78 Cb 0.05 0.75 0.06 0.00 -1.43 0.00 0.00 32.58 32.01 3fac s HIS 78 CO 0.38 -1.31 0.59 -3.38 -2.00 0.00 0.00 174.74 169.02 3fac s HIS 79 N -3.27 -0.54 -0.36 0.38 -3.43 -0.53 -1.80 115.29 105.75 3fac s HIS 79 Ca 0.13 0.90 -0.24 0.00 -0.80 0.00 0.00 55.06 55.05 3fac s HIS 79 Cb -0.05 0.33 0.01 0.00 -1.43 0.00 0.00 32.58 31.44 3fac s HIS 79 CO 0.08 -0.56 0.81 -1.14 -2.00 0.00 0.00 174.74 171.93 3fac s GLN 80 N -1.28 3.80 0.26 -0.38 0.74 0.05 0.57 119.66 123.42 3fac s GLN 80 Ca -0.11 0.41 -0.30 0.00 0.05 0.00 0.00 55.36 55.41 3fac s GLN 80 Cb -0.01 -3.79 -0.14 0.00 1.10 0.00 0.00 33.01 30.16 3fac s GLN 80 CO 0.08 -0.84 1.12 0.54 -0.55 0.00 0.00 175.29 175.64 3fac n ARG 81 N 6.46 1.46 -0.02 1.67 1.74 -0.65 -2.91 116.66 124.39 3fac n ARG 81 Ca 0.04 0.51 -0.15 0.00 -0.77 0.00 0.00 57.85 57.48 3fac n ARG 81 Cb 0.48 -1.97 -0.10 0.00 -1.02 0.00 0.00 32.46 29.85 3fac n ARG 81 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3fac h ARG 82 N 2.65 0.29 0.00 5.56 2.43 -1.91 -3.05 114.38 120.36 3fac h ARG 82 Ca -0.42 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.49 3fac h ARG 82 Cb 1.33 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 3fac h ARG 82 CO 0.65 0.93 0.00 -1.13 -1.51 0.00 0.00 179.97 178.91 3fac n SER 83 N -4.43 0.09 -3.14 -3.80 3.41 -1.26 -4.30 113.62 100.20 3fac n SER 83 Ca -0.09 0.53 0.03 0.00 -0.26 0.00 0.00 58.87 59.08 3fac n SER 83 Cb 0.52 -0.55 -0.00 0.00 -0.26 0.00 0.00 64.21 63.92 3fac n SER 83 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3fac s ASN 84 N -3.17 -1.33 0.00 4.04 3.84 -1.18 -5.02 114.94 112.13 3fac s ASN 84 Ca 0.03 -0.18 0.00 0.00 0.21 0.00 0.00 52.86 52.93 3fac s ASN 84 Cb 0.05 1.77 0.01 0.00 -0.55 0.00 0.00 41.25 42.53 3fac s ASN 84 CO 0.16 -0.20 0.91 -2.65 -2.79 0.00 0.00 177.10 172.53 3fac n PRO 85 N 4.90 0.00 -0.09 0.43 -0.02 -1.16 -1.27 135.00 137.79 3fac n PRO 85 Ca 0.08 0.41 0.12 0.00 -2.02 0.00 0.00 63.50 62.08 3fac n PRO 85 Cb 0.56 -1.60 0.21 0.00 -0.02 0.00 0.00 33.50 32.66 3fac n PRO 85 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3fac n GLU 86 N -1.41 2.28 -4.43 -0.52 -0.58 -1.26 -4.88 120.64 109.83 3fac n GLU 86 Ca -0.00 -1.90 -0.26 0.00 -0.42 0.00 0.00 57.16 54.57 3fac n GLU 86 Cb 0.10 -1.48 -0.11 0.00 -0.57 0.00 0.00 31.44 29.37 3fac n GLU 86 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3fac s GLU 87 N -1.77 1.55 0.00 3.49 2.02 -0.40 -2.01 118.70 121.58 3fac s GLU 87 Ca 0.34 -1.58 0.08 0.00 0.02 0.00 0.00 54.97 53.83 3fac s GLU 87 Cb 0.21 -1.82 -0.02 0.00 0.10 0.00 0.00 34.13 32.59 3fac s GLU 87 CO 0.31 0.38 -0.24 0.71 0.02 0.00 0.00 175.26 176.44 3fac s TYR 88 N -1.85 2.40 -0.20 1.61 2.02 0.20 -1.64 117.35 119.89 3fac s TYR 88 Ca 0.23 -0.37 -0.09 0.00 -0.37 0.00 0.00 57.07 56.47 3fac s TYR 88 Cb -0.07 -1.48 -0.04 0.00 -0.40 0.00 0.00 41.96 39.97 3fac s TYR 88 CO 0.11 0.08 0.10 0.20 -1.57 0.00 0.00 175.55 174.46 3fac s GLY 89 N -0.92 1.95 -0.07 0.71 0.00 0.19 -1.89 107.32 107.29 3fac s GLY 89 Ca 0.11 -0.78 0.05 0.00 0.00 0.00 0.00 44.72 44.11 3fac s GLY 89 CO 0.01 0.16 -0.22 0.14 0.00 0.00 0.00 173.10 173.19 3fac s VAL 90 N 0.55 2.30 -0.57 1.40 1.01 -0.29 -1.45 120.40 123.36 3fac s VAL 90 Ca 0.05 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 60.79 3fac s VAL 90 Cb -0.12 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.39 3fac s VAL 90 CO 0.01 0.57 1.61 0.21 0.00 0.00 0.00 175.10 177.49 3fac s ASN 91 N -0.15 5.79 0.59 3.32 3.84 -0.40 -1.17 114.94 126.76 3fac s ASN 91 Ca -0.03 0.36 0.30 0.00 0.21 0.00 0.00 52.86 53.69 3fac s ASN 91 Cb -0.14 -2.54 1.75 0.00 -0.55 0.00 0.00 41.25 39.77 3fac s ASN 91 CO 0.04 -1.96 2.17 -0.37 -2.79 0.00 0.00 177.10 174.18 3fac h VAL 92 N 6.58 0.47 0.00 -5.21 -1.51 -1.79 -1.48 116.25 113.30 3fac h VAL 92 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 3fac h VAL 92 Cb 1.12 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 3fac h VAL 92 CO 1.18 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.52 3fac n ALA 93 N -2.31 1.73 0.75 5.19 0.00 -1.26 -2.21 120.51 122.39 3fac n ALA 93 Ca -0.00 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.47 3fac n ALA 93 Cb 0.22 -1.23 -0.12 0.00 0.00 0.00 0.00 19.45 18.32 3fac n ALA 93 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3fac n ILE 94 N -1.38 0.00 -2.56 0.00 -5.35 -0.56 -4.94 119.36 104.57 3fac n ILE 94 Ca 0.05 -0.12 -0.42 0.00 -0.27 0.00 0.00 62.75 62.00 3fac n ILE 94 Cb 0.13 0.81 -0.03 0.00 -1.74 0.00 0.00 39.64 38.81 3fac n ILE 94 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3fac s LEU 95 N -3.23 4.41 -0.08 7.28 1.43 -0.94 -1.05 118.68 126.50 3fac s LEU 95 Ca 0.05 1.90 -0.37 0.00 -1.03 0.00 0.00 54.13 54.68 3fac s LEU 95 Cb 0.15 -3.58 -0.14 0.00 0.03 0.00 0.00 46.19 42.64 3fac s LEU 95 CO 0.83 -0.31 1.68 1.21 0.23 0.00 0.00 176.35 179.99 3fac n GLU 96 N 3.47 1.64 -1.08 1.70 2.13 0.10 -1.78 120.64 126.81 3fac n GLU 96 Ca 0.06 0.60 -0.03 0.00 0.66 0.00 0.00 57.16 58.45 3fac n GLU 96 Cb 0.48 -2.34 -0.01 0.00 0.27 0.00 0.00 31.44 29.84 3fac n GLU 96 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fac n GLY 97 N 3.81 0.61 3.08 8.31 0.00 -1.26 -4.94 105.19 114.80 3fac n GLY 97 Ca 0.22 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 3fac n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fac s VAL 98 N -2.05 3.24 -0.41 1.61 1.01 -0.74 -5.06 120.40 118.00 3fac s VAL 98 Ca 0.00 -2.58 -0.24 0.00 0.00 0.00 0.00 61.98 59.16 3fac s VAL 98 Cb 0.00 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.21 3fac s VAL 98 CO 0.00 -0.76 0.86 0.21 0.00 0.00 0.00 175.10 175.41 3fac s ASN 99 N 1.04 6.53 0.65 3.32 3.84 -1.26 -4.48 114.94 124.58 3fac s ASN 99 Ca 0.13 0.23 0.22 0.00 0.21 0.00 0.00 52.86 53.65 3fac s ASN 99 Cb -0.22 -2.43 1.17 0.00 -0.55 0.00 0.00 41.25 39.22 3fac s ASN 99 CO -0.04 -0.90 1.65 1.55 -2.79 0.00 0.00 177.10 176.58 3fac h PRO 100 N 8.78 0.00 -0.09 0.43 0.13 -1.93 0.26 132.00 139.58 3fac h PRO 100 Ca -0.24 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.79 3fac h PRO 100 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3fac h PRO 100 CO 0.97 0.00 -0.39 -0.09 -0.23 0.00 0.00 178.00 178.26 3fac h ARG 101 N 0.00 0.19 0.00 0.86 2.43 -1.94 -2.82 114.38 113.09 3fac h ARG 101 Ca 0.06 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3fac h ARG 101 Cb 1.20 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3fac h ARG 101 CO -0.00 0.55 0.00 -0.25 -1.51 0.00 0.00 179.97 178.76 3fac n ASP 102 N -4.05 0.00 0.07 -3.80 8.00 0.92 -2.56 116.55 115.14 3fac n ASP 102 Ca -0.01 0.33 0.13 0.00 0.71 0.00 0.00 54.79 55.94 3fac n ASP 102 Cb 0.46 -0.42 0.36 0.00 -0.02 0.00 0.00 41.12 41.49 3fac n ASP 102 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3fac n LEU 103 N -1.42 0.66 0.00 0.64 4.77 -1.07 -5.04 117.00 115.54 3fac n LEU 103 Ca 0.06 0.44 0.02 0.00 -0.03 0.00 0.00 56.01 56.50 3fac n LEU 103 Cb 0.19 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 3fac n LEU 103 CO 0.16 -0.11 -0.03 0.61 -1.33 0.00 0.00 177.39 176.69 3fac n GLY 104 N 1.35 -1.98 3.74 -0.72 0.00 -1.06 -4.80 105.19 101.73 3fac n GLY 104 Ca 0.05 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 3fac n GLY 104 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3fac n GLU 105 N -1.05 2.74 -4.40 1.61 4.07 -1.26 -4.99 120.64 117.36 3fac n GLU 105 Ca 0.00 0.98 -0.22 0.00 -0.06 0.00 0.00 57.16 57.86 3fac n GLU 105 Cb 0.07 -2.79 -0.10 0.00 -0.06 0.00 0.00 31.44 28.56 3fac n GLU 105 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 3fac s VAL 106 N 0.44 2.10 0.69 6.31 -7.23 -1.26 -5.15 120.40 116.30 3fac s VAL 106 Ca 0.68 -2.24 -0.14 0.00 -1.81 0.00 0.00 61.98 58.48 3fac s VAL 106 Cb -0.50 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.33 3fac s VAL 106 CO 0.42 -0.44 1.11 -2.84 -0.31 0.00 0.00 175.10 173.04 3fac s PRO 107 N -3.40 2.63 -0.39 4.82 0.02 -1.26 -4.87 135.00 132.55 3fac s PRO 107 Ca 0.24 1.35 -0.05 0.00 0.02 0.00 0.00 61.00 62.57 3fac s PRO 107 Cb -0.04 -1.93 0.08 0.00 0.02 0.00 0.00 34.50 32.64 3fac s PRO 107 CO 0.10 -1.38 0.18 -1.58 -0.33 0.00 0.00 177.00 173.99 3fac s TRP 108 N -2.46 3.43 -1.71 6.54 0.52 -1.26 -0.70 118.94 123.30 3fac s TRP 108 Ca 0.66 -1.97 0.00 0.00 0.02 0.00 0.00 56.10 54.81 3fac s TRP 108 Cb -0.20 -2.88 0.00 0.00 -1.15 0.00 0.00 33.47 29.24 3fac s TRP 108 CO 0.45 -0.89 0.43 0.25 0.02 0.00 0.00 176.95 177.21