#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 3.92 0.05 2.12 2.20 -1.26 -0.87 119.74 125.89 3fac s LYS 2 Ca 0.00 0.22 0.03 0.00 -0.36 0.00 0.00 55.97 55.86 3fac s LYS 2 Cb 0.00 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 3fac s LYS 2 CO 0.00 0.57 -0.09 0.20 -0.36 0.00 0.00 175.35 175.67 3fac s GLY 3 N -0.60 0.60 -0.04 5.54 0.00 -0.90 -0.82 107.32 111.11 3fac s GLY 3 Ca 0.20 -0.83 -0.17 0.00 0.00 0.00 0.00 44.72 43.92 3fac s GLY 3 CO 0.09 -0.88 0.37 -0.51 0.00 0.00 0.00 173.10 172.17 3fac s THR 4 N -1.37 0.04 1.14 0.90 -4.23 -0.21 -0.81 115.64 111.11 3fac s THR 4 Ca -0.08 -0.35 -0.19 0.00 -1.18 0.00 0.00 61.69 59.89 3fac s THR 4 Cb -0.10 -0.66 0.27 0.00 1.34 0.00 0.00 72.50 73.35 3fac s THR 4 CO 0.01 -0.19 1.17 0.00 -0.54 0.00 0.00 174.62 175.07 3fac h HIS 6 N -2.34 0.27 -0.52 0.00 2.76 -1.93 -3.18 115.15 110.21 3fac h HIS 6 Ca -0.44 -0.07 0.02 0.00 -2.20 0.00 0.00 60.37 57.67 3fac h HIS 6 Cb 1.27 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 30.15 3fac h HIS 6 CO -1.94 0.60 0.35 0.00 -1.30 0.00 0.00 177.93 175.63 3fac n GLY 8 N -1.47 0.66 0.35 0.00 0.00 -1.20 -4.96 105.19 98.57 3fac n GLY 8 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 1.62 -3.28 4.61 0.00 -1.89 -3.41 119.26 116.90 3fac h ALA 9 Ca 0.00 -0.03 -0.67 0.00 0.00 0.00 0.00 54.91 54.21 3fac h ALA 9 Cb 0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 17.79 17.26 3fac h ALA 9 CO 0.00 0.30 -0.81 0.08 0.00 0.00 0.00 179.25 178.82 3fac s VAL 10 N -5.71 2.62 -0.00 0.00 1.01 -1.26 -3.42 120.40 113.63 3fac s VAL 10 Ca -0.10 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.11 3fac s VAL 10 Cb 0.19 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 3fac s VAL 10 CO 0.77 0.53 -0.12 -0.70 0.00 0.00 0.00 175.10 175.58 3fac s GLU 11 N 0.50 0.99 0.32 2.72 2.12 -0.91 -0.54 118.70 123.89 3fac s GLU 11 Ca -0.12 -0.48 0.03 0.00 0.36 0.00 0.00 54.97 54.77 3fac s GLU 11 Cb -0.16 -0.96 -0.05 0.00 0.26 0.00 0.00 34.13 33.22 3fac s GLU 11 CO 0.05 0.26 0.08 0.96 -0.54 0.00 0.00 175.26 176.07 3fac s ILE 12 N -0.36 0.90 -0.04 -3.70 -4.36 0.01 -0.42 121.20 113.24 3fac s ILE 12 Ca 0.04 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.44 3fac s ILE 12 Cb -0.05 -2.67 0.02 0.00 1.25 0.00 0.00 42.46 41.02 3fac s ILE 12 CO -0.00 0.00 -0.02 -0.70 0.24 0.00 0.00 174.94 174.46 3fac s GLU 13 N -3.89 0.52 -0.05 0.37 2.12 0.21 -2.12 118.70 115.85 3fac s GLU 13 Ca 0.34 0.01 -0.16 0.00 0.36 0.00 0.00 54.97 55.52 3fac s GLU 13 Cb 0.07 -0.64 0.03 0.00 0.26 0.00 0.00 34.13 33.85 3fac s GLU 13 CO 0.15 -0.12 0.38 0.54 -0.54 0.00 0.00 175.26 175.66 3fac s VAL 14 N 1.02 0.04 -0.26 3.70 0.11 -0.05 -0.85 120.40 124.10 3fac s VAL 14 Ca -0.10 -0.30 -0.01 0.00 -2.93 0.00 0.00 61.98 58.64 3fac s VAL 14 Cb -0.14 -0.64 0.03 0.00 -1.53 0.00 0.00 36.38 34.10 3fac s VAL 14 CO -0.01 -0.16 -0.05 -1.61 -3.33 0.00 0.00 175.10 169.93 3fac s GLU 15 N -0.92 2.70 0.44 1.54 0.41 0.40 -1.48 118.70 121.79 3fac s GLU 15 Ca -0.10 -1.07 -0.25 0.00 -0.41 0.00 0.00 54.97 53.15 3fac s GLU 15 Cb -0.04 -3.01 -0.08 0.00 -1.78 0.00 0.00 34.13 29.22 3fac s GLU 15 CO 0.04 -0.46 1.31 -0.51 -0.49 0.00 0.00 175.26 175.15 3fac s LEU 16 N 1.29 4.12 0.05 1.80 1.43 -1.26 -4.52 118.68 121.59 3fac s LEU 16 Ca -0.02 2.65 -0.32 0.00 -1.03 0.00 0.00 54.13 55.41 3fac s LEU 16 Cb -0.17 -4.01 -0.19 0.00 0.03 0.00 0.00 46.19 41.85 3fac s LEU 16 CO -0.04 -1.01 1.49 0.25 0.23 0.00 0.00 176.35 177.27 3fac h LEU 17 N 2.36 -0.83 -5.87 1.79 5.85 -1.73 -3.37 115.31 113.50 3fac h LEU 17 Ca -0.50 0.01 -0.52 0.00 0.84 0.00 0.00 57.88 57.71 3fac h LEU 17 Cb 1.26 0.22 -0.40 0.00 0.37 0.00 0.00 40.66 42.10 3fac h LEU 17 CO 0.61 -0.55 -1.04 -3.20 -0.34 0.00 0.00 178.44 173.92 3fac n ASN 18 N -5.49 1.61 0.00 1.25 5.15 -1.26 -5.08 115.26 111.44 3fac n ASN 18 Ca -0.14 -3.12 0.00 0.00 -0.60 0.00 0.00 54.58 50.73 3fac n ASN 18 Cb 0.40 -0.61 0.00 0.00 -0.53 0.00 0.00 39.78 39.04 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 0.39 1.98 1.12 8.20 0.00 -1.26 -2.57 105.19 113.05 3fac n GLY 19 Ca 0.26 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 0.99 -0.34 1.61 3.72 -1.26 -4.63 117.46 131.55 3fac n PHE 20 Ca 0.00 -0.61 0.03 0.00 -0.05 0.00 0.00 57.45 56.81 3fac n PHE 20 Cb 0.00 -0.16 0.17 0.00 -0.94 0.00 0.00 39.48 38.55 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 2.99 1.31 -0.60 4.37 0.00 -1.94 -2.90 119.26 122.48 3fac h ALA 21 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 3fac h ALA 21 Cb 1.16 -0.24 -0.11 0.00 0.00 0.00 0.00 17.79 18.61 3fac h ALA 21 CO 0.13 0.29 0.18 -0.25 0.00 0.00 0.00 179.25 179.61 3fac n ASP 22 N -4.60 4.22 -4.69 0.00 10.43 -1.26 -4.99 116.55 115.66 3fac n ASP 22 Ca 0.15 -3.30 -0.44 0.00 2.57 0.00 0.00 54.79 53.77 3fac n ASP 22 Cb 0.22 -0.70 -0.03 0.00 1.84 0.00 0.00 41.12 42.45 3fac n ASP 22 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3fac n ALA 23 N -0.44 2.01 -4.18 2.24 0.00 -1.10 -4.84 120.51 114.20 3fac n ALA 23 Ca 0.37 0.36 -0.21 0.00 0.00 0.00 0.00 53.44 53.96 3fac n ALA 23 Cb 1.26 -2.52 -0.06 0.00 0.00 0.00 0.00 19.45 18.13 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 4.92 0.49 -3.59 0.00 1.74 -0.96 -4.27 116.66 114.98 3fac n ARG 24 Ca 0.18 -2.84 -0.27 0.00 -0.77 0.00 0.00 57.85 54.15 3fac n ARG 24 Cb 0.34 1.92 -0.16 0.00 -1.02 0.00 0.00 32.46 33.54 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 -3.22 0.09 0.35 5.56 0.52 -0.58 -2.08 118.95 119.59 3fac s ARG 25 Ca 0.25 -0.19 -0.27 0.00 -0.52 0.00 0.00 55.73 55.00 3fac s ARG 25 Cb 0.01 -1.66 -0.09 0.00 0.52 0.00 0.00 34.95 33.73 3fac s ARG 25 CO 0.18 -0.76 1.15 0.00 0.02 0.00 0.00 175.30 175.89 3fac n ASP 27 N 0.55 3.28 -4.72 0.00 5.75 -1.13 -3.52 116.55 116.76 3fac n ASP 27 Ca 0.02 -3.14 -0.30 0.00 -0.01 0.00 0.00 54.79 51.36 3fac n ASP 27 Cb 0.45 -0.52 0.13 0.00 -1.03 0.00 0.00 41.12 40.16 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 -1.52 0.22 0.00 0.00 4.64 -1.99 0.18 113.55 115.09 3fac h SER 29 Ca -0.49 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3fac h SER 29 Cb 1.28 0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 3fac h SER 29 CO 0.55 -0.37 -0.25 0.15 -0.87 0.00 0.00 176.83 176.04 3fac h PHE 30 N 0.06 0.00 -0.94 4.77 3.57 -1.97 -3.34 116.94 119.09 3fac h PHE 30 Ca 0.79 0.00 0.23 0.00 3.53 0.00 0.00 57.97 62.52 3fac h PHE 30 Cb 1.97 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 40.59 3fac h PHE 30 CO -0.09 0.00 0.47 0.00 -2.23 0.00 0.00 178.31 176.46 3fac h ARG 32 N 0.46 0.00 0.00 0.00 0.11 -0.69 -1.58 114.38 112.68 3fac h ARG 32 Ca 0.60 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.52 3fac h ARG 32 Cb 1.15 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.21 3fac h ARG 32 CO -0.51 0.11 -0.74 0.00 0.10 0.00 0.00 179.97 178.93 3fac h ARG 33 N 0.00 0.00 -0.21 0.08 3.08 -0.58 -3.20 114.38 113.55 3fac h ARG 33 Ca -0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 3fac h ARG 33 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3fac h ARG 33 CO 0.01 0.74 -0.62 0.00 -1.07 0.00 0.00 179.97 179.04 3fac h ARG 34 N 0.00 0.71 0.00 0.04 3.08 -0.79 -3.47 114.38 113.95 3fac h ARG 34 Ca -0.01 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3fac h ARG 34 Cb 1.52 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.64 3fac h ARG 34 CO 0.10 1.11 0.00 0.41 -1.07 0.00 0.00 179.97 180.52 3fac n GLY 35 N 0.42 1.08 3.82 0.04 0.00 -0.68 -4.98 105.19 104.89 3fac n GLY 35 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.83 2.85 0.01 4.61 0.00 -1.26 -5.05 121.76 121.09 3fac s ALA 36 Ca 0.00 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.02 3fac s ALA 36 Cb 0.00 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 19.89 3fac s ALA 36 CO 0.00 -0.71 0.50 0.42 0.00 0.00 0.00 175.76 175.97 3fac s ILE 37 N -2.67 4.93 -0.01 0.00 1.01 -1.26 -4.79 121.20 118.41 3fac s ILE 37 Ca 0.60 1.05 0.05 0.00 0.00 0.00 0.00 60.65 62.36 3fac s ILE 37 Cb -0.13 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 3fac s ILE 37 CO 0.40 0.51 -0.18 0.00 0.00 0.00 0.00 174.94 175.67 3fac s ALA 38 N -0.69 1.46 0.15 9.38 0.00 -0.89 -2.15 121.76 129.02 3fac s ALA 38 Ca 0.27 -0.77 0.09 0.00 0.00 0.00 0.00 51.96 51.56 3fac s ALA 38 Cb -0.18 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 3fac s ALA 38 CO 0.15 0.36 -0.16 0.00 0.00 0.00 0.00 175.76 176.11 3fac s ALA 39 N -0.43 2.76 0.51 0.00 0.00 -0.90 -2.27 121.76 121.43 3fac s ALA 39 Ca 0.07 -1.44 -0.09 0.00 0.00 0.00 0.00 51.96 50.50 3fac s ALA 39 Cb -0.07 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.37 3fac s ALA 39 CO -0.01 0.53 0.87 0.99 0.00 0.00 0.00 175.76 178.14 3fac s THR 40 N -1.42 4.80 -0.28 0.00 2.01 -1.26 -1.15 115.64 118.35 3fac s THR 40 Ca 0.21 0.55 -0.23 0.00 0.31 0.00 0.00 61.69 62.53 3fac s THR 40 Cb -0.10 -3.83 0.09 0.00 0.01 0.00 0.00 72.50 68.67 3fac s THR 40 CO 0.12 -0.87 0.82 0.00 -0.69 0.00 0.00 174.62 173.99 3fac s ALA 41 N -2.80 -1.88 0.51 7.40 0.00 -1.09 -1.85 121.76 122.05 3fac s ALA 41 Ca 0.51 2.06 -0.21 0.00 0.00 0.00 0.00 51.96 54.32 3fac s ALA 41 Cb -0.10 -1.32 -0.06 0.00 0.00 0.00 0.00 23.12 21.63 3fac s ALA 41 CO 0.44 -0.32 1.15 1.03 0.00 0.00 0.00 175.76 178.07 3fac s ARG 42 N 0.59 3.49 0.42 0.00 0.52 -1.26 0.21 118.95 122.90 3fac s ARG 42 Ca -0.01 1.70 0.18 0.00 -0.52 0.00 0.00 55.73 57.08 3fac s ARG 42 Cb -0.05 -2.16 1.09 0.00 0.52 0.00 0.00 34.95 34.35 3fac s ARG 42 CO -0.05 -0.76 1.83 -0.07 0.02 0.00 0.00 175.30 176.28 3fac h LEU 43 N 1.52 0.41 -0.51 2.53 3.38 -1.64 0.34 115.31 121.35 3fac h LEU 43 Ca -0.50 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3fac h LEU 43 Cb 1.26 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3fac h LEU 43 CO 0.58 0.15 0.00 -1.54 0.09 0.00 0.00 178.44 177.72 3fac n SER 44 N -4.53 0.76 -0.50 -0.43 3.41 -1.26 -3.53 113.62 107.54 3fac n SER 44 Ca 0.21 -1.53 0.05 0.00 -0.26 0.00 0.00 58.87 57.33 3fac n SER 44 Cb 0.75 -0.04 0.10 0.00 -0.26 0.00 0.00 64.21 64.75 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 -0.29 2.47 -3.83 4.04 9.92 0.12 -4.94 116.55 124.03 3fac n ASP 45 Ca 0.15 -1.79 -0.22 0.00 -0.53 0.00 0.00 54.79 52.40 3fac n ASP 45 Cb 0.19 -0.13 -0.17 0.00 -0.64 0.00 0.00 41.12 40.37 3fac n ASP 45 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3fac s LEU 46 N -0.94 0.96 -0.01 0.64 0.20 -1.20 -0.45 118.68 117.88 3fac s LEU 46 Ca 0.17 -0.12 0.03 0.00 0.69 0.00 0.00 54.13 54.90 3fac s LEU 46 Cb 0.10 -0.48 -0.00 0.00 -0.43 0.00 0.00 46.19 45.38 3fac s LEU 46 CO 0.13 -0.13 -0.09 -0.60 -0.29 0.00 0.00 176.35 175.38 3fac s ARG 47 N 1.49 0.81 -0.27 1.98 3.52 -0.03 -4.97 118.95 121.47 3fac s ARG 47 Ca -0.02 -0.32 -0.27 0.00 -0.13 0.00 0.00 55.73 54.99 3fac s ARG 47 Cb -0.13 -0.78 0.01 0.00 -1.56 0.00 0.00 34.95 32.49 3fac s ARG 47 CO -0.03 0.17 0.96 0.08 -0.81 0.00 0.00 175.30 175.67 3fac s VAL 48 N -0.08 4.68 -0.03 7.11 1.01 -1.26 -0.62 120.40 131.20 3fac s VAL 48 Ca 0.01 1.70 -0.22 0.00 0.00 0.00 0.00 61.98 63.47 3fac s VAL 48 Cb -0.05 -4.28 -0.25 0.00 0.00 0.00 0.00 36.38 31.81 3fac s VAL 48 CO -0.00 -0.26 1.03 0.58 0.00 0.00 0.00 175.10 176.45 3fac h VAL 49 N 5.56 1.50 -3.44 2.92 2.07 -1.03 -3.48 116.25 120.35 3fac h VAL 49 Ca -0.21 -2.09 -0.05 0.00 0.82 0.00 0.00 66.70 65.17 3fac h VAL 49 Cb 1.07 2.77 -0.12 0.00 -1.52 0.00 0.00 31.29 33.49 3fac h VAL 49 CO 0.96 0.59 -0.08 -0.60 0.02 0.00 0.00 177.57 178.46 3fac s ARG 50 N -3.04 1.17 -0.74 1.57 3.52 -0.94 -4.93 118.95 115.56 3fac s ARG 50 Ca -0.15 -0.83 0.00 0.00 -0.13 0.00 0.00 55.73 54.63 3fac s ARG 50 Cb 0.02 0.47 0.00 0.00 -1.56 0.00 0.00 34.95 33.88 3fac s ARG 50 CO 0.78 -0.47 0.00 0.41 -0.81 0.00 0.00 175.30 175.22 3fac n GLY 51 N -0.25 0.91 0.33 8.12 0.00 -1.22 -2.15 105.19 110.92 3fac n GLY 51 Ca -0.13 -0.66 0.22 0.00 0.00 0.00 0.00 46.02 45.45 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 1.01 -0.00 4.61 0.00 -1.91 0.54 119.26 123.50 3fac h ALA 52 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3fac h ALA 52 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3fac h ALA 52 CO 0.21 0.00 -0.18 -0.85 0.00 0.00 0.00 179.25 178.43 3fac n GLU 53 N -3.10 0.64 -0.16 0.00 0.00 -1.26 -3.40 120.64 113.36 3fac n GLU 53 Ca -0.02 -0.29 0.09 0.00 0.00 0.00 0.00 57.16 56.94 3fac n GLU 53 Cb 0.12 -1.49 0.17 0.00 0.00 0.00 0.00 31.44 30.23 3fac n GLU 53 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3fac n ASN 54 N -0.93 3.02 -4.78 -1.84 2.85 0.18 -4.94 115.26 108.82 3fac n ASN 54 Ca 0.13 -1.88 -0.37 0.00 -0.11 0.00 0.00 54.58 52.35 3fac n ASN 54 Cb 0.31 -0.21 -0.07 0.00 1.24 0.00 0.00 39.78 41.06 3fac n ASN 54 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3fac s LEU 55 N -1.19 4.32 -0.13 1.20 1.43 -1.20 -0.86 118.68 122.26 3fac s LEU 55 Ca 0.29 0.62 -0.10 0.00 -1.03 0.00 0.00 54.13 53.91 3fac s LEU 55 Cb 0.17 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 3fac s LEU 55 CO 0.23 0.20 0.21 -0.89 0.23 0.00 0.00 176.35 176.34 3fac s THR 56 N -0.14 5.37 0.07 5.49 2.01 0.36 -4.89 115.64 123.90 3fac s THR 56 Ca 0.18 0.38 -0.07 0.00 0.31 0.00 0.00 61.69 62.49 3fac s THR 56 Cb -0.14 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 3fac s THR 56 CO 0.06 0.52 0.33 -0.22 -0.69 0.00 0.00 174.62 174.62 3fac s LEU 57 N -0.35 4.34 -0.08 4.42 2.96 -1.26 -2.12 118.68 126.58 3fac s LEU 57 Ca 0.15 0.62 -0.04 0.00 -0.22 0.00 0.00 54.13 54.64 3fac s LEU 57 Cb -0.13 -2.94 0.04 0.00 0.50 0.00 0.00 46.19 43.66 3fac s LEU 57 CO 0.04 0.17 0.18 -0.47 -1.32 0.00 0.00 176.35 174.95 3fac s TYR 58 N -1.43 -0.22 0.08 5.38 5.04 0.19 -5.00 117.35 121.39 3fac s TYR 58 Ca 0.33 0.59 0.03 0.00 -2.44 0.00 0.00 57.07 55.58 3fac s TYR 58 Cb -0.13 -0.07 -0.03 0.00 0.35 0.00 0.00 41.96 42.07 3fac s TYR 58 CO 0.20 -0.20 -0.09 -0.65 -1.34 0.00 0.00 175.55 173.46 3fac s GLN 59 N 1.38 0.74 0.30 4.97 -0.21 -1.26 -2.46 119.66 123.13 3fac s GLN 59 Ca -0.07 -1.04 -0.20 0.00 0.02 0.00 0.00 55.36 54.07 3fac s GLN 59 Cb -0.11 -0.45 0.03 0.00 1.00 0.00 0.00 33.01 33.48 3fac s GLN 59 CO -0.07 0.07 0.76 -0.59 -2.12 0.00 0.00 175.29 173.34 3fac s PHE 60 N -2.15 -0.10 0.00 0.91 -0.12 -1.26 -4.97 117.98 110.28 3fac s PHE 60 Ca 0.01 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.49 3fac s PHE 60 Cb -0.05 0.74 0.00 0.00 -0.63 0.00 0.00 43.02 43.08 3fac s PHE 60 CO -0.00 -1.29 0.00 0.41 -0.05 0.00 0.00 175.22 174.29 3fac n GLY 61 N -0.48 2.79 0.00 1.99 0.00 -1.26 -1.53 105.19 106.70 3fac n GLY 61 Ca -0.05 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 0.50 -3.60 2.61 -2.24 -1.26 -4.87 114.28 105.42 3fac n THR 62 Ca 0.00 0.13 -0.25 0.00 -2.27 0.00 0.00 64.05 61.66 3fac n THR 62 Cb 0.00 -0.76 0.07 0.00 -2.10 0.00 0.00 70.33 67.54 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 -1.48 -7.23 -0.10 -0.78 1.74 -0.58 -4.87 116.66 103.37 3fac n ARG 63 Ca 0.06 0.79 -0.09 0.00 -0.77 0.00 0.00 57.85 57.84 3fac n ARG 63 Cb 0.24 -5.80 -0.16 0.00 -1.02 0.00 0.00 32.46 25.72 3fac n ARG 63 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3fac n THR 64 N -4.90 1.32 -3.41 0.55 -1.04 -1.26 -4.96 114.28 100.58 3fac n THR 64 Ca 0.00 -0.84 -0.36 0.00 -2.04 0.00 0.00 64.05 60.82 3fac n THR 64 Cb 0.56 -0.44 -0.06 0.00 -1.82 0.00 0.00 70.33 68.57 3fac n THR 64 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fac s ALA 65 N -2.54 3.62 -0.20 2.41 0.00 -1.26 -4.83 121.76 118.97 3fac s ALA 65 Ca -0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 3fac s ALA 65 Cb 0.06 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.71 3fac s ALA 65 CO 0.83 0.47 -0.08 0.15 0.00 0.00 0.00 175.76 177.14 3fac s LYS 66 N -1.76 3.34 -0.14 0.00 1.02 -1.13 -4.69 119.74 116.37 3fac s LYS 66 Ca 0.34 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.68 3fac s LYS 66 Cb -0.15 -2.89 -0.01 0.00 -0.52 0.00 0.00 37.83 34.26 3fac s LYS 66 CO 0.18 -0.12 -0.15 -1.01 -0.92 0.00 0.00 175.35 173.33 3fac s HIS 67 N 1.25 2.78 0.14 3.18 3.76 -1.03 -0.91 115.29 124.46 3fac s HIS 67 Ca 0.03 -0.92 0.11 0.00 -0.15 0.00 0.00 55.06 54.13 3fac s HIS 67 Cb -0.14 -1.87 -0.04 0.00 1.11 0.00 0.00 32.58 31.64 3fac s HIS 67 CO -0.03 -0.39 -0.24 -1.58 -0.85 0.00 0.00 174.74 171.65 3fac s TRP 68 N 0.65 2.37 -0.15 1.40 0.51 -1.05 -0.63 118.94 122.03 3fac s TRP 68 Ca -0.08 -0.35 -0.28 0.00 -2.12 0.00 0.00 56.10 53.27 3fac s TRP 68 Cb -0.16 -1.26 0.07 0.00 -0.81 0.00 0.00 33.47 31.32 3fac s TRP 68 CO 0.02 0.37 0.72 -0.59 -0.51 0.00 0.00 176.95 176.97 3fac s PHE 69 N -1.17 -0.69 0.18 -1.98 -0.12 -0.90 -3.06 117.98 110.24 3fac s PHE 69 Ca 0.16 1.42 -0.32 0.00 -0.05 0.00 0.00 56.93 58.13 3fac s PHE 69 Cb -0.10 0.36 -0.12 0.00 -0.63 0.00 0.00 43.02 42.52 3fac s PHE 69 CO 0.08 -0.50 1.71 0.00 -0.05 0.00 0.00 175.22 176.46 3fac n ARG 71 N 4.10 0.12 -0.13 0.00 1.85 -0.03 -1.00 116.66 121.56 3fac n ARG 71 Ca 0.17 0.18 -0.28 0.00 -1.00 0.00 0.00 57.85 56.92 3fac n ARG 71 Cb 0.34 -1.66 -0.10 0.00 -1.05 0.00 0.00 32.46 29.98 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 -1.88 1.53 0.98 8.89 -1.04 -1.26 -4.61 114.28 116.90 3fac n THR 72 Ca 0.05 -0.33 0.11 0.00 -2.04 0.00 0.00 64.05 61.83 3fac n THR 72 Cb 0.32 -1.89 -0.01 0.00 -1.82 0.00 0.00 70.33 66.94 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 1.50 0.38 3.67 0.00 0.00 -0.17 -4.97 105.19 105.60 3fac n GLY 74 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.91 4.61 -0.01 -0.61 -1.09 -1.26 -4.68 121.20 116.25 3fac s ILE 75 Ca 0.00 1.91 -0.30 0.00 -2.23 0.00 0.00 60.65 60.03 3fac s ILE 75 Cb 0.00 -4.23 -0.05 0.00 -1.58 0.00 0.00 42.46 36.60 3fac s ILE 75 CO 0.00 -0.09 1.41 -0.47 -1.23 0.00 0.00 174.94 174.56 3fac s TYR 76 N 2.72 2.80 -0.25 3.97 5.04 -1.26 -1.65 117.35 128.71 3fac s TYR 76 Ca 0.48 0.80 -0.16 0.00 -2.44 0.00 0.00 57.07 55.75 3fac s TYR 76 Cb -0.18 -3.67 -0.13 0.00 0.35 0.00 0.00 41.96 38.33 3fac s TYR 76 CO 0.13 -2.47 -0.21 0.25 -1.34 0.00 0.00 175.55 171.91 3fac n THR 77 N 4.75 1.53 -3.82 4.34 -2.24 -1.17 -4.62 114.28 113.04 3fac n THR 77 Ca 0.13 -0.26 -0.06 0.00 -2.27 0.00 0.00 64.05 61.60 3fac n THR 77 Cb 0.44 -1.95 -0.00 0.00 -2.10 0.00 0.00 70.33 66.71 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 -2.49 -0.07 0.02 4.78 -3.43 -1.26 -1.41 115.29 111.42 3fac s HIS 78 Ca -0.35 -0.37 -0.27 0.00 -0.80 0.00 0.00 55.06 53.26 3fac s HIS 78 Cb 0.12 0.71 0.07 0.00 -1.43 0.00 0.00 32.58 32.05 3fac s HIS 78 CO 0.51 -1.13 0.63 -3.38 -2.00 0.00 0.00 174.74 169.37 3fac s HIS 79 N -3.16 -0.59 -0.41 0.38 -3.43 -0.12 -2.54 115.29 105.43 3fac s HIS 79 Ca 0.14 0.82 -0.21 0.00 -0.80 0.00 0.00 55.06 55.01 3fac s HIS 79 Cb -0.04 0.43 0.02 0.00 -1.43 0.00 0.00 32.58 31.56 3fac s HIS 79 CO 0.06 -0.67 0.65 -1.14 -2.00 0.00 0.00 174.74 171.65 3fac s GLN 80 N -2.00 3.45 0.39 -0.38 0.74 -0.09 0.91 119.66 122.68 3fac s GLN 80 Ca -0.07 -0.18 -0.26 0.00 0.05 0.00 0.00 55.36 54.90 3fac s GLN 80 Cb -0.00 -3.89 -0.11 0.00 1.10 0.00 0.00 33.01 30.10 3fac s GLN 80 CO 0.03 -0.92 1.15 0.54 -0.55 0.00 0.00 175.29 175.54 3fac n ARG 81 N 6.23 1.70 0.12 1.67 1.74 -0.53 -2.83 116.66 124.75 3fac n ARG 81 Ca -0.01 0.60 -0.19 0.00 -0.77 0.00 0.00 57.85 57.48 3fac n ARG 81 Cb 0.48 -2.19 -0.14 0.00 -1.02 0.00 0.00 32.46 29.59 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 1.97 0.41 -0.58 5.56 2.43 -1.91 -3.18 114.38 119.08 3fac h ARG 82 Ca -0.45 -0.66 0.01 0.00 -0.81 0.00 0.00 59.98 58.06 3fac h ARG 82 Cb 1.31 0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 31.07 3fac h ARG 82 CO 0.59 1.31 0.38 0.66 -1.51 0.00 0.00 179.97 181.41 3fac h SER 83 N 0.13 0.67 -3.02 -3.80 4.64 -1.98 -3.39 113.55 106.80 3fac h SER 83 Ca -0.18 -0.02 -0.56 0.00 -0.47 0.00 0.00 61.79 60.56 3fac h SER 83 Cb 2.01 -0.17 -0.40 0.00 -0.31 0.00 0.00 62.40 63.54 3fac h SER 83 CO 0.23 0.49 -0.77 0.21 -0.87 0.00 0.00 176.83 176.12 3fac s ASN 84 N -5.73 3.83 0.15 4.97 2.47 -1.24 -5.00 114.94 114.39 3fac s ASN 84 Ca -0.13 -1.50 0.09 0.00 0.42 0.00 0.00 52.86 51.74 3fac s ASN 84 Cb 0.13 -0.67 0.48 0.00 -1.45 0.00 0.00 41.25 39.74 3fac s ASN 84 CO 0.75 -0.42 1.23 -2.65 -3.72 0.00 0.00 177.10 172.28 3fac n PRO 85 N 5.00 0.06 -0.18 0.43 -0.02 -1.20 -1.66 135.00 137.43 3fac n PRO 85 Ca -0.04 0.52 0.08 0.00 -2.02 0.00 0.00 63.50 62.05 3fac n PRO 85 Cb 0.42 -1.76 0.24 0.00 -0.02 0.00 0.00 33.50 32.38 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 -1.79 1.96 -4.13 -0.52 -0.58 -1.26 -4.88 120.64 109.44 3fac n GLU 86 Ca -0.01 -1.48 -0.16 0.00 -0.42 0.00 0.00 57.16 55.09 3fac n GLU 86 Cb 0.08 -1.36 -0.12 0.00 -0.57 0.00 0.00 31.44 29.47 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 -1.53 0.70 0.33 3.49 2.02 -0.67 -1.65 118.70 121.39 3fac s GLU 87 Ca 0.30 -0.88 0.08 0.00 0.02 0.00 0.00 54.97 54.49 3fac s GLU 87 Cb 0.16 -0.60 -0.03 0.00 0.10 0.00 0.00 34.13 33.76 3fac s GLU 87 CO 0.22 0.13 0.24 0.71 0.02 0.00 0.00 175.26 176.58 3fac s TYR 88 N -1.35 2.87 -0.08 1.61 2.02 0.13 -1.45 117.35 121.10 3fac s TYR 88 Ca -0.05 -0.30 0.04 0.00 -0.37 0.00 0.00 57.07 56.39 3fac s TYR 88 Cb -0.10 -1.70 -0.00 0.00 -0.40 0.00 0.00 41.96 39.76 3fac s TYR 88 CO 0.01 0.27 -0.21 0.20 -1.57 0.00 0.00 175.55 174.25 3fac s GLY 89 N -3.93 1.15 -0.04 0.71 0.00 0.26 -2.66 107.32 102.81 3fac s GLY 89 Ca 0.39 -0.83 0.06 0.00 0.00 0.00 0.00 44.72 44.34 3fac s GLY 89 CO 0.25 -0.31 -0.23 0.14 0.00 0.00 0.00 173.10 172.95 3fac s VAL 90 N 0.25 2.26 -0.63 1.40 1.01 -0.30 -0.94 120.40 123.45 3fac s VAL 90 Ca -0.13 -1.01 -0.27 0.00 0.00 0.00 0.00 61.98 60.58 3fac s VAL 90 Cb -0.16 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 3fac s VAL 90 CO 0.06 0.58 1.66 0.21 0.00 0.00 0.00 175.10 177.60 3fac s ASN 91 N -0.42 5.62 0.60 3.32 3.84 -0.50 -2.11 114.94 125.29 3fac s ASN 91 Ca 0.04 0.16 0.28 0.00 0.21 0.00 0.00 52.86 53.55 3fac s ASN 91 Cb -0.12 -2.54 1.38 0.00 -0.55 0.00 0.00 41.25 39.43 3fac s ASN 91 CO 0.01 -2.14 1.79 -0.37 -2.79 0.00 0.00 177.10 173.60 3fac h VAL 92 N 6.60 0.26 0.00 -5.21 -1.51 -1.77 -0.54 116.25 114.08 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 1.13 0.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 3fac h VAL 92 CO 1.22 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.56 3fac h ALA 93 N 1.27 1.00 0.00 5.19 0.00 -1.82 -2.76 119.26 122.15 3fac h ALA 93 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3fac h ALA 93 Cb 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3fac h ALA 93 CO -0.00 0.00 -0.43 0.44 0.00 0.00 0.00 179.25 179.26 3fac n ILE 94 N -2.79 0.01 -2.43 0.00 -5.35 -0.21 -4.84 119.36 103.75 3fac n ILE 94 Ca 0.02 -0.01 -0.43 0.00 -0.27 0.00 0.00 62.75 62.06 3fac n ILE 94 Cb 0.30 0.13 -0.02 0.00 -1.74 0.00 0.00 39.64 38.31 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 -3.04 4.08 -0.36 7.28 1.43 -1.04 -1.05 118.68 125.99 3fac s LEU 95 Ca 0.11 1.53 -0.42 0.00 -1.03 0.00 0.00 54.13 54.33 3fac s LEU 95 Cb 0.18 -3.54 -0.16 0.00 0.03 0.00 0.00 46.19 42.69 3fac s LEU 95 CO 0.68 -0.86 1.79 1.21 0.23 0.00 0.00 176.35 179.40 3fac n GLU 96 N 6.82 0.80 -0.93 1.70 2.13 0.00 -1.74 120.64 129.43 3fac n GLU 96 Ca 0.14 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.24 3fac n GLU 96 Cb 0.45 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.21 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 4.68 0.57 2.94 8.31 0.00 -1.26 -4.94 105.19 115.49 3fac n GLY 97 Ca 0.31 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.00 1.90 -0.31 1.61 1.01 -0.71 -5.07 120.40 116.83 3fac s VAL 98 Ca 0.00 -2.13 -0.25 0.00 0.00 0.00 0.00 61.98 59.59 3fac s VAL 98 Cb 0.00 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.98 3fac s VAL 98 CO 0.00 -0.63 0.89 0.21 0.00 0.00 0.00 175.10 175.57 3fac s ASN 99 N 1.04 6.76 0.60 3.32 3.84 -1.26 -4.62 114.94 124.62 3fac s ASN 99 Ca 0.11 0.80 0.30 0.00 0.21 0.00 0.00 52.86 54.28 3fac s ASN 99 Cb -0.19 -2.45 1.68 0.00 -0.55 0.00 0.00 41.25 39.74 3fac s ASN 99 CO -0.12 -0.71 2.07 1.55 -2.79 0.00 0.00 177.10 177.10 3fac h PRO 100 N 8.10 0.00 -0.70 0.43 0.13 -1.93 -1.12 132.00 136.91 3fac h PRO 100 Ca -0.23 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.95 3fac h PRO 100 Cb 1.08 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 3fac h PRO 100 CO 0.94 0.00 0.46 -0.09 -0.23 0.00 0.00 178.00 179.08 3fac h ARG 101 N 0.00 0.77 0.00 0.86 2.43 -1.94 -2.21 114.38 114.29 3fac h ARG 101 Ca 0.09 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3fac h ARG 101 Cb 0.57 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3fac h ARG 101 CO -0.00 0.51 0.00 -0.25 -1.51 0.00 0.00 179.97 178.72 3fac n ASP 102 N -4.47 0.00 -0.29 -3.80 8.00 -0.42 -2.72 116.55 112.85 3fac n ASP 102 Ca 0.09 -0.37 0.14 0.00 0.71 0.00 0.00 54.79 55.37 3fac n ASP 102 Cb 0.17 -0.10 0.61 0.00 -0.02 0.00 0.00 41.12 41.78 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 -1.10 0.96 0.00 0.64 4.77 -0.83 -5.02 117.00 116.42 3fac n LEU 103 Ca 0.12 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3fac n LEU 103 Cb 0.09 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3fac n LEU 103 CO 0.12 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3fac n GLY 104 N 1.17 1.74 3.67 -0.72 0.00 -1.10 -4.57 105.19 105.38 3fac n GLY 104 Ca 0.19 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 3fac n GLY 104 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fac s GLU 105 N 0.00 4.23 -0.00 1.61 2.56 -1.26 -4.98 118.70 120.85 3fac s GLU 105 Ca 0.00 0.55 0.04 0.00 0.00 0.00 0.00 54.97 55.56 3fac s GLU 105 Cb 0.00 -3.55 -0.03 0.00 2.00 0.00 0.00 34.13 32.55 3fac s GLU 105 CO 0.00 -0.14 -0.13 0.14 -0.56 0.00 0.00 175.26 174.57 3fac s VAL 106 N 1.60 3.18 0.87 3.70 -7.23 -1.26 -5.12 120.40 116.14 3fac s VAL 106 Ca 0.27 -0.88 -0.13 0.00 -1.81 0.00 0.00 61.98 59.44 3fac s VAL 106 Cb -0.16 -2.32 0.07 0.00 0.56 0.00 0.00 36.38 34.53 3fac s VAL 106 CO 0.11 0.45 0.86 -2.65 -0.31 0.00 0.00 175.10 173.56 3fac n PRO 107 N 1.83 -0.12 -4.40 4.82 -0.02 -1.26 -4.80 135.00 131.04 3fac n PRO 107 Ca -0.16 0.03 -0.34 0.00 -2.02 0.00 0.00 63.50 61.00 3fac n PRO 107 Cb 0.52 -2.17 -0.11 0.00 -0.02 0.00 0.00 33.50 31.73 3fac n PRO 107 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3fac s TRP 108 N -2.31 3.08 -2.63 6.00 0.52 -1.26 -1.53 118.94 120.81 3fac s TRP 108 Ca 0.66 -0.01 0.21 0.00 0.02 0.00 0.00 56.10 56.98 3fac s TRP 108 Cb -0.26 -1.85 0.17 0.00 -1.15 0.00 0.00 33.47 30.38 3fac s TRP 108 CO 0.59 0.25 1.17 -2.37 0.02 0.00 0.00 176.95 176.60