#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 3.08 -0.14 2.12 2.20 -1.26 -1.06 119.74 124.68 3fac s LYS 2 Ca 0.00 1.13 -0.07 0.00 -0.36 0.00 0.00 55.97 56.67 3fac s LYS 2 Cb 0.00 -2.00 0.06 0.00 -1.51 0.00 0.00 37.83 34.37 3fac s LYS 2 CO 0.00 -1.00 0.33 0.20 -0.36 0.00 0.00 175.35 174.53 3fac s GLY 3 N -3.15 -0.24 0.07 5.54 0.00 0.60 -2.17 107.32 107.97 3fac s GLY 3 Ca 0.62 1.28 0.02 0.00 0.00 0.00 0.00 44.72 46.64 3fac s GLY 3 CO 0.45 1.57 -0.08 -0.51 0.00 0.00 0.00 173.10 174.53 3fac s THR 4 N 1.47 0.66 0.46 0.90 -4.23 -0.74 0.11 115.64 114.27 3fac s THR 4 Ca -0.08 -1.48 -0.04 0.00 -1.18 0.00 0.00 61.69 58.91 3fac s THR 4 Cb -0.10 -1.12 0.10 0.00 1.34 0.00 0.00 72.50 72.73 3fac s THR 4 CO -0.11 -0.59 0.63 0.00 -0.54 0.00 0.00 174.62 174.02 3fac h HIS 6 N -0.86 -0.02 -0.75 0.00 2.76 -1.94 -3.20 115.15 111.15 3fac h HIS 6 Ca -0.21 -0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.12 3fac h HIS 6 Cb 0.68 0.01 -0.14 0.00 1.55 0.00 0.00 27.41 29.50 3fac h HIS 6 CO 0.00 0.56 -0.13 0.00 -1.30 0.00 0.00 177.93 177.05 3fac n GLY 8 N -1.47 0.50 0.27 0.00 0.00 -1.21 -4.97 105.19 98.31 3fac n GLY 8 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.62 -2.74 4.61 0.00 -1.87 -3.42 119.26 115.21 3fac h ALA 9 Ca 0.00 -0.15 -0.56 0.00 0.00 0.00 0.00 54.91 54.20 3fac h ALA 9 Cb 0.00 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 3fac h ALA 9 CO 0.00 -0.82 0.03 0.08 0.00 0.00 0.00 179.25 178.54 3fac s VAL 10 N -5.86 5.01 -0.05 0.00 1.01 -1.26 -3.17 120.40 116.08 3fac s VAL 10 Ca -0.16 1.34 -0.01 0.00 0.00 0.00 0.00 61.98 63.15 3fac s VAL 10 Cb 0.04 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.46 3fac s VAL 10 CO 0.62 0.31 0.01 -0.70 0.00 0.00 0.00 175.10 175.34 3fac s GLU 11 N 0.48 0.38 0.34 2.72 2.12 0.23 -2.79 118.70 122.17 3fac s GLU 11 Ca 0.34 0.16 0.09 0.00 0.36 0.00 0.00 54.97 55.92 3fac s GLU 11 Cb -0.18 -0.75 -0.05 0.00 0.26 0.00 0.00 34.13 33.42 3fac s GLU 11 CO 0.17 -0.26 0.08 0.96 -0.54 0.00 0.00 175.26 175.67 3fac s ILE 12 N 1.78 2.90 -0.08 -3.70 -4.36 0.30 0.21 121.20 118.24 3fac s ILE 12 Ca 0.01 -1.82 0.01 0.00 -0.26 0.00 0.00 60.65 58.60 3fac s ILE 12 Cb -0.13 -2.90 0.02 0.00 1.25 0.00 0.00 42.46 40.70 3fac s ILE 12 CO -0.04 -0.20 -0.09 -0.70 0.24 0.00 0.00 174.94 174.15 3fac s GLU 13 N -3.78 1.51 0.09 0.37 2.12 0.14 -0.29 118.70 118.87 3fac s GLU 13 Ca 0.36 -0.31 -0.10 0.00 0.36 0.00 0.00 54.97 55.28 3fac s GLU 13 Cb -0.02 -1.39 0.01 0.00 0.26 0.00 0.00 34.13 32.99 3fac s GLU 13 CO 0.21 -0.09 0.23 0.54 -0.54 0.00 0.00 175.26 175.61 3fac s VAL 14 N 1.07 0.13 -0.24 3.70 0.11 -0.22 -0.49 120.40 124.45 3fac s VAL 14 Ca -0.07 -1.05 -0.00 0.00 -2.93 0.00 0.00 61.98 57.92 3fac s VAL 14 Cb -0.14 -1.29 0.07 0.00 -1.53 0.00 0.00 36.38 33.49 3fac s VAL 14 CO -0.01 -0.58 0.00 -1.61 -3.33 0.00 0.00 175.10 169.58 3fac s GLU 15 N -3.78 1.19 0.33 1.54 0.41 -0.00 -2.42 118.70 115.97 3fac s GLU 15 Ca 0.04 -0.91 -0.29 0.00 -0.41 0.00 0.00 54.97 53.40 3fac s GLU 15 Cb 0.04 -2.40 -0.11 0.00 -1.78 0.00 0.00 34.13 29.88 3fac s GLU 15 CO -0.11 -0.70 1.54 1.28 -0.49 0.00 0.00 175.26 176.78 3fac n LEU 16 N 4.78 4.52 -0.16 1.80 4.77 -1.26 -4.32 117.00 127.12 3fac n LEU 16 Ca -0.08 1.19 -0.03 0.00 -0.03 0.00 0.00 56.01 57.06 3fac n LEU 16 Cb 0.44 -1.60 0.06 0.00 -2.33 0.00 0.00 43.42 40.00 3fac n LEU 16 CO 0.16 0.13 0.93 0.25 -1.33 0.00 0.00 177.39 177.53 3fac h LEU 17 N 3.89 0.07 -5.36 2.23 5.85 -1.62 -3.36 115.31 117.02 3fac h LEU 17 Ca -0.49 0.08 -0.33 0.00 0.84 0.00 0.00 57.88 57.98 3fac h LEU 17 Cb 1.23 0.09 -0.24 0.00 0.37 0.00 0.00 40.66 42.12 3fac h LEU 17 CO 0.72 0.07 -0.71 -3.20 -0.34 0.00 0.00 178.44 174.97 3fac n ASN 18 N -5.07 -1.44 0.00 1.25 5.15 -1.26 -5.01 115.26 108.88 3fac n ASN 18 Ca 0.05 -3.31 0.00 0.00 -0.60 0.00 0.00 54.58 50.72 3fac n ASN 18 Cb 0.23 0.99 0.00 0.00 -0.53 0.00 0.00 39.78 40.46 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 0.82 1.26 1.82 8.20 0.00 -1.26 -2.91 105.19 113.12 3fac n GLY 19 Ca 0.13 -0.54 0.07 0.00 0.00 0.00 0.00 46.02 45.68 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 2.93 1.97 -0.07 1.61 3.72 -1.26 -4.61 117.46 121.75 3fac n PHE 20 Ca 0.00 -0.72 -0.07 0.00 -0.05 0.00 0.00 57.45 56.61 3fac n PHE 20 Cb 0.00 -0.47 -0.01 0.00 -0.94 0.00 0.00 39.48 38.05 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 3.92 0.18 -0.81 4.37 0.00 -1.97 -2.43 119.26 122.52 3fac h ALA 21 Ca 0.00 0.11 -0.41 0.00 0.00 0.00 0.00 54.91 54.60 3fac h ALA 21 Cb 1.90 0.22 -0.25 0.00 0.00 0.00 0.00 17.79 19.66 3fac h ALA 21 CO 0.45 -0.47 0.53 -0.40 0.00 0.00 0.00 179.25 179.36 3fac n ASP 22 N -5.24 3.63 -4.58 0.00 5.68 -1.26 -4.96 116.55 109.81 3fac n ASP 22 Ca -0.01 -3.30 -0.44 0.00 -0.50 0.00 0.00 54.79 50.55 3fac n ASP 22 Cb 0.16 -0.77 -0.04 0.00 -1.14 0.00 0.00 41.12 39.33 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 -0.82 1.67 -2.48 2.12 0.00 -0.92 -4.85 120.51 115.24 3fac n ALA 23 Ca 0.48 -0.19 -0.23 0.00 0.00 0.00 0.00 53.44 53.50 3fac n ALA 23 Cb 1.45 -2.85 -0.10 0.00 0.00 0.00 0.00 19.45 17.94 3fac n ALA 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3fac s ARG 24 N 6.21 1.71 -0.12 0.00 0.52 -1.13 -4.18 118.95 121.96 3fac s ARG 24 Ca 1.01 -1.96 -0.00 0.00 -0.52 0.00 0.00 55.73 54.26 3fac s ARG 24 Cb -0.42 -0.93 0.03 0.00 0.52 0.00 0.00 34.95 34.15 3fac s ARG 24 CO 0.38 -0.20 -0.08 1.03 0.02 0.00 0.00 175.30 176.44 3fac s ARG 25 N -3.86 1.61 0.30 3.54 0.52 -1.01 -2.57 118.95 117.48 3fac s ARG 25 Ca 0.35 -0.32 -0.22 0.00 -0.52 0.00 0.00 55.73 55.01 3fac s ARG 25 Cb 0.08 -1.70 -0.09 0.00 0.52 0.00 0.00 34.95 33.76 3fac s ARG 25 CO 0.15 -0.28 0.86 0.00 0.02 0.00 0.00 175.30 176.05 3fac n ASP 27 N 0.39 3.44 -4.68 0.00 5.75 -1.20 -3.47 116.55 116.78 3fac n ASP 27 Ca 0.01 -2.74 -0.29 0.00 -0.01 0.00 0.00 54.79 51.76 3fac n ASP 27 Cb 0.51 -0.44 0.16 0.00 -1.03 0.00 0.00 41.12 40.32 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 -1.75 0.14 0.00 0.00 4.64 -2.01 -1.57 113.55 113.00 3fac h SER 29 Ca -0.52 0.22 -0.11 0.00 -0.47 0.00 0.00 61.79 60.92 3fac h SER 29 Cb 1.30 0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.64 3fac h SER 29 CO 0.54 -0.24 -0.63 0.15 -0.87 0.00 0.00 176.83 175.78 3fac h PHE 30 N 0.17 0.00 -0.67 4.77 3.57 -1.97 -3.35 116.94 119.45 3fac h PHE 30 Ca 0.67 0.00 0.11 0.00 3.53 0.00 0.00 57.97 62.29 3fac h PHE 30 Cb 1.52 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.22 3fac h PHE 30 CO -0.18 1.06 0.45 0.00 -2.23 0.00 0.00 178.31 177.41 3fac h ARG 32 N 0.45 0.44 0.00 0.00 0.11 -1.32 -2.27 114.38 111.79 3fac h ARG 32 Ca 0.32 -0.24 -0.02 0.00 0.10 0.00 0.00 59.98 60.14 3fac h ARG 32 Cb 0.62 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.71 3fac h ARG 32 CO -0.10 0.81 -0.09 0.00 0.10 0.00 0.00 179.97 180.68 3fac h ARG 33 N 0.35 0.00 0.32 0.08 3.08 -1.42 -3.20 114.38 113.59 3fac h ARG 33 Ca 0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3fac h ARG 33 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 3fac h ARG 33 CO 0.08 0.09 -0.15 0.00 -1.07 0.00 0.00 179.97 178.92 3fac h ARG 34 N 0.00 -0.41 0.00 0.04 3.08 -1.08 -3.48 114.38 112.53 3fac h ARG 34 Ca -0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3fac h ARG 34 Cb 0.75 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.89 3fac h ARG 34 CO 0.01 -0.27 0.00 0.41 -1.07 0.00 0.00 179.97 179.05 3fac n GLY 35 N 0.70 2.77 3.23 0.04 0.00 -0.88 -5.05 105.19 106.00 3fac n GLY 35 Ca -0.05 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 3fac n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fac n ALA 36 N 0.00 -3.50 -2.51 4.61 0.00 -1.26 -4.95 120.51 112.89 3fac n ALA 36 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 3fac n ALA 36 Cb 0.00 -1.47 -0.10 0.00 0.00 0.00 0.00 19.45 17.87 3fac n ALA 36 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fac s ILE 37 N -2.03 5.19 0.09 0.00 1.01 -1.26 -4.79 121.20 119.40 3fac s ILE 37 Ca 0.53 -0.59 -0.12 0.00 0.00 0.00 0.00 60.65 60.47 3fac s ILE 37 Cb -0.31 -3.85 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 3fac s ILE 37 CO 0.70 -0.24 0.44 0.00 0.00 0.00 0.00 174.94 175.84 3fac s ALA 38 N 1.67 3.68 0.18 9.38 0.00 -1.06 -2.30 121.76 133.32 3fac s ALA 38 Ca 0.05 -0.29 0.11 0.00 0.00 0.00 0.00 51.96 51.83 3fac s ALA 38 Cb -0.19 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 3fac s ALA 38 CO 0.10 0.52 -0.23 0.00 0.00 0.00 0.00 175.76 176.15 3fac s ALA 39 N -1.37 2.43 0.41 0.00 0.00 -0.53 -2.83 121.76 119.87 3fac s ALA 39 Ca 0.33 -1.59 -0.09 0.00 0.00 0.00 0.00 51.96 50.60 3fac s ALA 39 Cb -0.15 -0.31 -0.06 0.00 0.00 0.00 0.00 23.12 22.60 3fac s ALA 39 CO 0.18 0.41 0.76 0.99 0.00 0.00 0.00 175.76 178.10 3fac s THR 40 N -1.66 4.82 -0.22 0.00 2.01 -1.26 -1.12 115.64 118.20 3fac s THR 40 Ca 0.19 0.53 -0.15 0.00 0.31 0.00 0.00 61.69 62.57 3fac s THR 40 Cb -0.08 -3.75 0.07 0.00 0.01 0.00 0.00 72.50 68.74 3fac s THR 40 CO 0.09 -0.56 0.56 0.00 -0.69 0.00 0.00 174.62 174.02 3fac s ALA 41 N -2.41 -1.47 0.33 7.40 0.00 -1.20 -1.56 121.76 122.85 3fac s ALA 41 Ca 0.50 1.88 -0.29 0.00 0.00 0.00 0.00 51.96 54.05 3fac s ALA 41 Cb -0.10 -1.11 -0.12 0.00 0.00 0.00 0.00 23.12 21.79 3fac s ALA 41 CO 0.33 -0.31 1.37 0.54 0.00 0.00 0.00 175.76 177.70 3fac n ARG 42 N 3.78 2.29 -0.31 0.00 1.74 -1.26 -1.42 116.66 121.47 3fac n ARG 42 Ca -0.19 0.80 0.31 0.00 -0.77 0.00 0.00 57.85 58.00 3fac n ARG 42 Cb 0.57 -2.44 0.68 0.00 -1.02 0.00 0.00 32.46 30.24 3fac n ARG 42 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3fac h LEU 43 N 3.01 0.14 -1.03 0.55 7.12 -0.57 0.76 115.31 125.30 3fac h LEU 43 Ca -0.47 0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.57 3fac h LEU 43 Cb 1.27 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.40 3fac h LEU 43 CO 0.66 0.02 0.00 -1.54 -0.13 0.00 0.00 178.44 177.45 3fac n SER 44 N -4.33 1.54 -0.51 1.25 3.41 -1.26 -3.98 113.62 109.74 3fac n SER 44 Ca 0.25 -1.69 0.06 0.00 -0.26 0.00 0.00 58.87 57.23 3fac n SER 44 Cb 1.11 -0.10 0.16 0.00 -0.26 0.00 0.00 64.21 65.12 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 0.24 2.98 -4.10 4.04 8.00 0.27 -4.99 116.55 122.99 3fac n ASP 45 Ca 0.16 -2.52 -0.21 0.00 0.71 0.00 0.00 54.79 52.92 3fac n ASP 45 Cb 0.31 -0.33 -0.15 0.00 -0.02 0.00 0.00 41.12 40.94 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 -1.93 2.06 -0.21 0.64 0.20 -1.23 -0.82 118.68 117.39 3fac s LEU 46 Ca 0.27 -0.29 -0.16 0.00 0.69 0.00 0.00 54.13 54.64 3fac s LEU 46 Cb 0.20 -0.64 0.06 0.00 -0.43 0.00 0.00 46.19 45.37 3fac s LEU 46 CO 0.08 0.13 0.55 0.00 -0.29 0.00 0.00 176.35 176.82 3fac s ARG 47 N -0.51 0.60 0.09 1.98 1.70 0.36 -5.00 118.95 118.17 3fac s ARG 47 Ca 0.04 0.87 -0.30 0.00 -0.47 0.00 0.00 55.73 55.87 3fac s ARG 47 Cb -0.06 0.20 -0.06 0.00 -0.57 0.00 0.00 34.95 34.47 3fac s ARG 47 CO -0.00 -0.11 1.08 0.08 -1.08 0.00 0.00 175.30 175.27 3fac s VAL 48 N 0.82 4.25 -0.16 4.99 1.01 -1.26 0.28 120.40 130.32 3fac s VAL 48 Ca -0.04 1.73 0.05 0.00 0.00 0.00 0.00 61.98 63.72 3fac s VAL 48 Cb -0.05 -4.11 -0.23 0.00 0.00 0.00 0.00 36.38 31.99 3fac s VAL 48 CO -0.06 0.20 0.18 0.52 0.00 0.00 0.00 175.10 175.93 3fac n VAL 49 N 3.32 1.58 -3.48 2.92 0.31 0.57 -4.88 118.33 118.67 3fac n VAL 49 Ca 0.06 -0.70 -0.12 0.00 -0.01 0.00 0.00 64.34 63.57 3fac n VAL 49 Cb 0.48 -1.23 -0.03 0.00 -0.91 0.00 0.00 33.84 32.15 3fac n VAL 49 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3fac s ARG 50 N -2.54 1.22 -0.01 5.55 3.52 -0.59 -4.94 118.95 121.16 3fac s ARG 50 Ca -0.20 -0.52 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 3fac s ARG 50 Cb 0.07 0.56 0.00 0.00 -1.56 0.00 0.00 34.95 34.02 3fac s ARG 50 CO 0.74 -0.52 0.00 0.41 -0.81 0.00 0.00 175.30 175.12 3fac n GLY 51 N -0.31 0.47 0.37 8.12 0.00 -1.19 -0.60 105.19 112.05 3fac n GLY 51 Ca -0.17 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 45.72 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 1.56 0.00 4.61 0.00 -1.92 0.18 119.26 123.70 3fac h ALA 52 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fac h ALA 52 Cb 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3fac h ALA 52 CO 0.00 0.26 0.00 -0.85 0.00 0.00 0.00 179.25 178.66 3fac n GLU 53 N -4.53 0.12 -0.08 0.00 0.00 -1.26 -2.12 120.64 112.77 3fac n GLU 53 Ca 0.16 0.38 0.12 0.00 0.00 0.00 0.00 57.16 57.82 3fac n GLU 53 Cb 0.28 -1.74 0.22 0.00 0.00 0.00 0.00 31.44 30.20 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 -1.96 2.87 -4.72 -1.84 2.85 0.64 -4.90 115.26 108.19 3fac n ASN 54 Ca 0.02 -1.92 -0.37 0.00 -0.11 0.00 0.00 54.58 52.21 3fac n ASN 54 Cb 0.19 -0.10 -0.07 0.00 1.24 0.00 0.00 39.78 41.04 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 -1.77 4.25 0.02 1.20 1.43 -0.90 -1.45 118.68 121.46 3fac s LEU 55 Ca 0.33 0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 53.91 3fac s LEU 55 Cb 0.21 -2.53 -0.06 0.00 0.03 0.00 0.00 46.19 43.84 3fac s LEU 55 CO 0.31 0.04 0.51 -0.89 0.23 0.00 0.00 176.35 176.55 3fac s THR 56 N 0.59 4.90 -0.17 5.49 2.01 -0.15 -4.91 115.64 123.40 3fac s THR 56 Ca 0.21 1.07 -0.09 0.00 0.31 0.00 0.00 61.69 63.20 3fac s THR 56 Cb -0.14 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 3fac s THR 56 CO 0.07 0.53 0.13 -0.22 -0.69 0.00 0.00 174.62 174.44 3fac s LEU 57 N -0.83 4.26 -0.06 4.42 2.96 -1.26 -2.72 118.68 125.45 3fac s LEU 57 Ca 0.27 0.32 0.02 0.00 -0.22 0.00 0.00 54.13 54.52 3fac s LEU 57 Cb -0.18 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.45 3fac s LEU 57 CO 0.16 0.27 -0.08 -0.47 -1.32 0.00 0.00 176.35 174.91 3fac s TYR 58 N -0.21 1.12 0.04 5.38 5.04 0.22 -5.00 117.35 123.94 3fac s TYR 58 Ca 0.11 -0.39 0.02 0.00 -2.44 0.00 0.00 57.07 54.37 3fac s TYR 58 Cb -0.11 -0.88 -0.02 0.00 0.35 0.00 0.00 41.96 41.29 3fac s TYR 58 CO 0.01 -0.24 -0.08 -0.65 -1.34 0.00 0.00 175.55 173.25 3fac s GLN 59 N 0.80 0.52 0.20 4.97 -0.21 -1.26 -1.95 119.66 122.73 3fac s GLN 59 Ca -0.13 -0.70 -0.19 0.00 0.02 0.00 0.00 55.36 54.36 3fac s GLN 59 Cb -0.15 -0.31 0.04 0.00 1.00 0.00 0.00 33.01 33.58 3fac s GLN 59 CO 0.02 0.06 0.56 -0.59 -2.12 0.00 0.00 175.29 173.22 3fac s PHE 60 N -1.24 -0.22 0.00 0.91 -0.12 -1.26 -4.97 117.98 111.08 3fac s PHE 60 Ca -0.09 -0.11 0.00 0.00 -0.05 0.00 0.00 56.93 56.68 3fac s PHE 60 Cb -0.09 0.47 0.00 0.00 -0.63 0.00 0.00 43.02 42.77 3fac s PHE 60 CO 0.00 -0.94 0.00 0.41 -0.05 0.00 0.00 175.22 174.64 3fac n GLY 61 N -0.36 1.76 0.00 1.99 0.00 -1.26 -2.19 105.19 105.13 3fac n GLY 61 Ca -0.11 -0.46 0.04 0.00 0.00 0.00 0.00 46.02 45.49 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 0.88 -2.93 2.61 -2.24 -1.26 -4.80 114.28 106.54 3fac n THR 62 Ca 0.00 0.22 -0.20 0.00 -2.27 0.00 0.00 64.05 61.80 3fac n THR 62 Cb 0.00 -1.08 0.01 0.00 -2.10 0.00 0.00 70.33 67.15 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 -1.30 -3.36 -0.07 -0.78 1.74 -0.93 -4.87 116.66 107.09 3fac n ARG 63 Ca 0.04 0.69 -0.06 0.00 -0.77 0.00 0.00 57.85 57.74 3fac n ARG 63 Cb 0.07 -5.41 -0.03 0.00 -1.02 0.00 0.00 32.46 26.07 3fac n ARG 63 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3fac h THR 64 N -0.74 0.29 -4.27 0.55 2.02 -1.87 -3.48 112.91 105.42 3fac h THR 64 Ca -0.43 -1.28 -0.52 0.00 0.77 0.00 0.00 66.41 64.95 3fac h THR 64 Cb 1.30 0.62 0.15 0.00 -1.74 0.00 0.00 68.15 68.48 3fac h THR 64 CO 0.50 0.10 0.30 0.00 0.37 0.00 0.00 175.52 176.79 3fac s ALA 65 N -2.57 1.99 -0.10 6.16 0.00 -1.26 -4.90 121.76 121.09 3fac s ALA 65 Ca -0.12 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 3fac s ALA 65 Cb 0.01 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.79 3fac s ALA 65 CO 0.23 -2.07 -0.04 0.15 0.00 0.00 0.00 175.76 174.03 3fac s LYS 66 N -4.60 1.15 -0.16 0.00 1.02 -1.00 -4.74 119.74 111.41 3fac s LYS 66 Ca 0.65 -0.11 -0.01 0.00 0.02 0.00 0.00 55.97 56.53 3fac s LYS 66 Cb -0.21 -1.33 -0.01 0.00 -0.52 0.00 0.00 37.83 35.76 3fac s LYS 66 CO 0.54 -0.28 -0.11 -1.01 -0.92 0.00 0.00 175.35 173.57 3fac s HIS 67 N 1.80 2.85 0.13 3.18 3.76 -0.82 0.27 115.29 126.45 3fac s HIS 67 Ca 0.05 -0.83 0.09 0.00 -0.15 0.00 0.00 55.06 54.21 3fac s HIS 67 Cb -0.12 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 3fac s HIS 67 CO -0.07 -0.37 -0.14 -1.58 -0.85 0.00 0.00 174.74 171.73 3fac s TRP 68 N 0.76 2.60 -0.18 1.40 0.51 -0.73 -0.61 118.94 122.69 3fac s TRP 68 Ca -0.05 -0.23 -0.27 0.00 -2.12 0.00 0.00 56.10 53.43 3fac s TRP 68 Cb -0.15 -1.35 0.07 0.00 -0.81 0.00 0.00 33.47 31.23 3fac s TRP 68 CO 0.01 0.43 0.71 -0.59 -0.51 0.00 0.00 176.95 177.00 3fac s PHE 69 N -1.29 -0.73 0.31 -1.98 -0.12 -1.10 -2.97 117.98 110.09 3fac s PHE 69 Ca 0.20 1.59 -0.29 0.00 -0.05 0.00 0.00 56.93 58.38 3fac s PHE 69 Cb -0.10 0.33 -0.11 0.00 -0.63 0.00 0.00 43.02 42.51 3fac s PHE 69 CO 0.12 -0.47 1.51 0.00 -0.05 0.00 0.00 175.22 176.33 3fac n ARG 71 N 1.71 0.24 -0.10 0.00 1.85 -0.53 -1.45 116.66 118.37 3fac n ARG 71 Ca 0.06 0.01 -0.16 0.00 -1.00 0.00 0.00 57.85 56.76 3fac n ARG 71 Cb 0.39 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.24 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 -1.38 1.50 0.88 8.89 -1.04 -1.26 -4.62 114.28 117.25 3fac n THR 72 Ca 0.11 -0.03 0.11 0.00 -2.04 0.00 0.00 64.05 62.21 3fac n THR 72 Cb 0.28 -2.19 0.13 0.00 -1.82 0.00 0.00 70.33 66.72 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 1.46 0.54 3.67 0.00 0.00 -0.53 -4.97 105.19 105.36 3fac n GLY 74 Ca 0.04 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.90 4.76 0.03 -0.61 -1.09 -1.25 -4.69 121.20 116.45 3fac s ILE 75 Ca 0.00 1.90 -0.30 0.00 -2.23 0.00 0.00 60.65 60.01 3fac s ILE 75 Cb 0.00 -4.25 -0.07 0.00 -1.58 0.00 0.00 42.46 36.56 3fac s ILE 75 CO 0.00 -0.08 1.47 -0.47 -1.23 0.00 0.00 174.94 174.63 3fac s TYR 76 N 2.65 2.78 -0.25 3.97 5.04 -1.26 -1.78 117.35 128.49 3fac s TYR 76 Ca 0.43 0.69 -0.13 0.00 -2.44 0.00 0.00 57.07 55.62 3fac s TYR 76 Cb -0.16 -3.75 -0.11 0.00 0.35 0.00 0.00 41.96 38.29 3fac s TYR 76 CO 0.10 -2.85 -0.33 0.25 -1.34 0.00 0.00 175.55 171.39 3fac n THR 77 N 4.60 1.40 -3.81 4.34 -2.24 -1.16 -4.62 114.28 112.78 3fac n THR 77 Ca 0.14 -0.35 -0.05 0.00 -2.27 0.00 0.00 64.05 61.51 3fac n THR 77 Cb 0.43 -1.85 -0.01 0.00 -2.10 0.00 0.00 70.33 66.79 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 -2.47 -0.14 0.04 4.78 -3.43 -1.26 -1.44 115.29 111.37 3fac s HIS 78 Ca -0.36 -0.26 -0.21 0.00 -0.80 0.00 0.00 55.06 53.43 3fac s HIS 78 Cb 0.14 0.69 0.05 0.00 -1.43 0.00 0.00 32.58 32.02 3fac s HIS 78 CO 0.45 -1.07 0.49 -3.38 -2.00 0.00 0.00 174.74 169.23 3fac s HIS 79 N -3.53 -0.38 -0.50 0.38 -3.43 -0.18 -1.78 115.29 105.87 3fac s HIS 79 Ca 0.12 0.43 -0.20 0.00 -0.80 0.00 0.00 55.06 54.61 3fac s HIS 79 Cb -0.04 0.30 0.05 0.00 -1.43 0.00 0.00 32.58 31.47 3fac s HIS 79 CO 0.05 -0.62 0.64 -1.14 -2.00 0.00 0.00 174.74 171.67 3fac s GLN 80 N -2.37 3.15 0.23 -0.38 0.74 0.14 0.11 119.66 121.28 3fac s GLN 80 Ca -0.06 -0.78 -0.30 0.00 0.05 0.00 0.00 55.36 54.28 3fac s GLN 80 Cb -0.01 -4.07 -0.15 0.00 1.10 0.00 0.00 33.01 29.88 3fac s GLN 80 CO -0.01 -1.19 1.00 0.54 -0.55 0.00 0.00 175.29 175.08 3fac n ARG 81 N 6.23 1.07 -0.03 1.67 1.74 -1.12 -2.39 116.66 123.83 3fac n ARG 81 Ca -0.05 0.38 -0.15 0.00 -0.77 0.00 0.00 57.85 57.25 3fac n ARG 81 Cb 0.46 -1.75 -0.04 0.00 -1.02 0.00 0.00 32.46 30.11 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 2.40 0.75 -0.48 5.56 2.43 -1.93 -3.24 114.38 119.87 3fac h ARG 82 Ca -0.40 -0.56 0.02 0.00 -0.81 0.00 0.00 59.98 58.24 3fac h ARG 82 Cb 1.36 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.97 3fac h ARG 82 CO 0.64 1.18 0.28 0.66 -1.51 0.00 0.00 179.97 181.22 3fac h SER 83 N 0.54 0.45 -2.89 -3.80 4.64 -1.99 -3.40 113.55 107.10 3fac h SER 83 Ca -0.02 0.01 -0.55 0.00 -0.47 0.00 0.00 61.79 60.76 3fac h SER 83 Cb 1.29 -0.09 -0.40 0.00 -0.31 0.00 0.00 62.40 62.89 3fac h SER 83 CO 0.14 0.32 -0.77 0.21 -0.87 0.00 0.00 176.83 175.86 3fac s ASN 84 N -5.56 3.68 0.00 4.97 3.84 -1.23 -4.99 114.94 115.65 3fac s ASN 84 Ca -0.13 -1.39 0.00 0.00 0.21 0.00 0.00 52.86 51.55 3fac s ASN 84 Cb 0.12 -0.50 0.00 0.00 -0.55 0.00 0.00 41.25 40.33 3fac s ASN 84 CO 0.73 -0.43 0.67 -2.65 -2.79 0.00 0.00 177.10 172.63 3fac n PRO 85 N 5.13 0.00 0.00 0.43 -0.02 -1.23 -0.45 135.00 138.86 3fac n PRO 85 Ca -0.05 0.21 0.12 0.00 -2.02 0.00 0.00 63.50 61.77 3fac n PRO 85 Cb 0.42 -1.54 0.17 0.00 -0.02 0.00 0.00 33.50 32.53 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 -1.17 1.73 -4.38 -0.52 -0.58 -1.26 -4.91 120.64 109.54 3fac n GLU 86 Ca 0.00 -1.34 -0.27 0.00 -0.42 0.00 0.00 57.16 55.14 3fac n GLU 86 Cb 0.04 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 29.33 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 -2.20 1.72 0.23 3.49 2.02 0.40 0.19 118.70 124.55 3fac s GLU 87 Ca 0.26 -1.44 0.10 0.00 0.02 0.00 0.00 54.97 53.92 3fac s GLU 87 Cb 0.20 -1.96 -0.04 0.00 0.10 0.00 0.00 34.13 32.42 3fac s GLU 87 CO 0.41 0.41 -0.12 0.71 0.02 0.00 0.00 175.26 176.69 3fac s TYR 88 N -1.71 2.51 -0.20 1.61 2.02 -0.51 -2.81 117.35 118.26 3fac s TYR 88 Ca 0.23 -0.27 -0.03 0.00 -0.37 0.00 0.00 57.07 56.62 3fac s TYR 88 Cb -0.08 -1.16 -0.01 0.00 -0.40 0.00 0.00 41.96 40.31 3fac s TYR 88 CO 0.12 0.59 -0.06 0.20 -1.57 0.00 0.00 175.55 174.83 3fac s GLY 89 N -3.19 1.60 -0.14 0.71 0.00 0.30 -3.27 107.32 103.33 3fac s GLY 89 Ca 0.27 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 43.92 3fac s GLY 89 CO 0.15 0.26 -0.18 0.14 0.00 0.00 0.00 173.10 173.48 3fac s VAL 90 N 1.16 2.47 -0.60 1.40 1.01 -0.28 -1.01 120.40 124.55 3fac s VAL 90 Ca 0.02 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 60.88 3fac s VAL 90 Cb -0.14 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3fac s VAL 90 CO -0.01 0.53 1.81 0.21 0.00 0.00 0.00 175.10 177.64 3fac s ASN 91 N 0.66 5.39 0.55 3.32 3.84 -0.52 -1.46 114.94 126.71 3fac s ASN 91 Ca -0.09 0.36 0.25 0.00 0.21 0.00 0.00 52.86 53.58 3fac s ASN 91 Cb -0.16 -2.53 1.46 0.00 -0.55 0.00 0.00 41.25 39.47 3fac s ASN 91 CO 0.02 -2.28 2.06 -0.37 -2.79 0.00 0.00 177.10 173.73 3fac h VAL 92 N 6.82 0.69 -0.10 -5.21 -1.51 -1.80 -1.46 116.25 113.68 3fac h VAL 92 Ca -0.27 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.23 3fac h VAL 92 Cb 1.15 0.82 -0.00 0.00 -2.13 0.00 0.00 31.29 31.13 3fac h VAL 92 CO 1.21 0.00 0.09 0.00 -1.23 0.00 0.00 177.57 177.64 3fac h ALA 93 N 1.79 1.81 0.00 5.19 0.00 -1.88 -1.64 119.26 124.52 3fac h ALA 93 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3fac h ALA 93 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3fac h ALA 93 CO -0.00 -0.15 -0.42 -0.84 0.00 0.00 0.00 179.25 177.84 3fac h ILE 94 N 0.00 0.00 -3.06 0.00 3.07 -1.50 -3.47 117.51 112.54 3fac h ILE 94 Ca 0.05 -0.52 -0.53 0.00 1.55 0.00 0.00 64.86 65.40 3fac h ILE 94 Cb 0.24 1.25 0.02 0.00 -0.27 0.00 0.00 36.82 38.06 3fac h ILE 94 CO -0.00 0.00 0.69 -0.76 -1.05 0.00 0.00 178.15 177.03 3fac s LEU 95 N -4.44 4.37 0.53 0.16 1.43 -0.62 -1.79 118.68 118.32 3fac s LEU 95 Ca 0.07 2.28 -0.22 0.00 -1.03 0.00 0.00 54.13 55.23 3fac s LEU 95 Cb 0.13 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 3fac s LEU 95 CO 0.68 -0.61 1.35 -0.70 0.23 0.00 0.00 176.35 177.30 3fac s GLU 96 N 0.99 3.27 -0.42 1.70 2.12 -0.92 -2.24 118.70 123.20 3fac s GLU 96 Ca 0.63 2.22 0.00 0.00 0.36 0.00 0.00 54.97 58.18 3fac s GLU 96 Cb -0.36 -2.32 0.00 0.00 0.26 0.00 0.00 34.13 31.71 3fac s GLU 96 CO 0.31 -1.08 0.00 0.41 -0.54 0.00 0.00 175.26 174.35 3fac n GLY 97 N 0.68 0.55 3.23 -1.50 0.00 -1.26 -4.91 105.19 101.98 3fac n GLY 97 Ca 0.09 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.71 1.69 -0.28 1.61 1.01 -0.95 -5.10 120.40 116.68 3fac s VAL 98 Ca 0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 3fac s VAL 98 Cb 0.00 -1.41 0.08 0.00 0.00 0.00 0.00 36.38 35.05 3fac s VAL 98 CO 0.00 0.48 0.05 0.21 0.00 0.00 0.00 175.10 175.84 3fac s ASN 99 N -0.44 3.87 0.65 3.32 3.84 -1.26 -4.81 114.94 120.10 3fac s ASN 99 Ca 0.07 -1.45 0.22 0.00 0.21 0.00 0.00 52.86 51.91 3fac s ASN 99 Cb -0.09 -0.96 1.16 0.00 -0.55 0.00 0.00 41.25 40.81 3fac s ASN 99 CO -0.00 -0.35 1.65 1.55 -2.79 0.00 0.00 177.10 177.15 3fac h PRO 100 N 8.04 0.00 0.00 0.43 0.13 -1.90 0.27 132.00 138.96 3fac h PRO 100 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3fac h PRO 100 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3fac h PRO 100 CO 0.44 0.00 0.00 -2.13 -0.23 0.00 0.00 178.00 176.08 3fac n ARG 101 N -2.89 0.13 0.00 0.86 0.63 -1.26 -2.02 116.66 112.11 3fac n ARG 101 Ca 0.01 0.43 0.12 0.00 -0.92 0.00 0.00 57.85 57.49 3fac n ARG 101 Cb 0.62 -1.78 0.24 0.00 0.45 0.00 0.00 32.46 31.98 3fac n ARG 101 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3fac n ASP 102 N -2.04 1.06 0.01 6.15 8.00 0.93 -3.81 116.55 126.86 3fac n ASP 102 Ca 0.02 -0.85 0.13 0.00 0.71 0.00 0.00 54.79 54.81 3fac n ASP 102 Cb 0.17 0.30 0.51 0.00 -0.02 0.00 0.00 41.12 42.08 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 -0.84 0.20 0.00 0.64 4.77 -0.86 -5.03 117.00 115.88 3fac n LEU 103 Ca 0.09 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 3fac n LEU 103 Cb 0.36 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3fac n LEU 103 CO 0.30 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3fac n GLY 104 N 1.48 -0.42 3.62 -0.72 0.00 -1.25 -4.59 105.19 103.31 3fac n GLY 104 Ca 0.06 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 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 3.78 0.05 1.61 2.56 -1.26 -4.98 118.70 120.45 3fac s GLU 105 Ca 0.00 1.44 -0.11 0.00 0.00 0.00 0.00 54.97 56.29 3fac s GLU 105 Cb 0.00 -4.00 -0.06 0.00 2.00 0.00 0.00 34.13 32.08 3fac s GLU 105 CO 0.00 -1.31 0.40 0.14 -0.56 0.00 0.00 175.26 173.93 3fac s VAL 106 N 5.08 5.08 0.31 3.70 -7.23 -1.26 -5.07 120.40 121.01 3fac s VAL 106 Ca 0.66 0.58 -0.29 0.00 -1.81 0.00 0.00 61.98 61.12 3fac s VAL 106 Cb -0.21 -3.66 -0.10 0.00 0.56 0.00 0.00 36.38 32.97 3fac s VAL 106 CO 0.28 0.39 1.20 -2.16 -0.31 0.00 0.00 175.10 174.50 3fac s PRO 107 N -1.61 4.48 0.08 4.82 0.04 -1.26 -4.81 135.00 136.72 3fac s PRO 107 Ca 0.30 2.00 -0.25 0.00 0.04 0.00 0.00 61.00 63.09 3fac s PRO 107 Cb -0.15 -3.11 -0.06 0.00 0.04 0.00 0.00 34.50 31.23 3fac s PRO 107 CO 0.16 -0.00 0.75 -1.58 0.04 0.00 0.00 177.00 176.37 3fac s TRP 108 N -1.17 3.78 -2.71 0.56 0.52 -1.26 -2.40 118.94 116.26 3fac s TRP 108 Ca 0.47 1.49 0.26 0.00 0.02 0.00 0.00 56.10 58.35 3fac s TRP 108 Cb -0.36 -2.78 0.69 0.00 -1.15 0.00 0.00 33.47 29.87 3fac s TRP 108 CO 0.47 0.36 1.54 0.25 0.02 0.00 0.00 176.95 179.58