#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pns s VAL 2 N 0.00 2.78 0.33 1.12 0.11 -1.26 -0.58 120.40 122.90 1pns s VAL 2 Ca 0.00 0.50 0.07 0.00 -2.93 0.00 0.00 61.98 59.62 1pns s VAL 2 Cb 0.00 -3.32 -0.06 0.00 -1.53 0.00 0.00 36.38 31.47 1pns s VAL 2 CO 0.00 0.03 -0.05 -0.54 -3.33 0.00 0.00 175.10 171.21 1pns s LYS 3 N 1.49 1.73 -0.27 1.54 1.02 0.78 -1.89 119.74 124.15 1pns s LYS 3 Ca 0.70 -1.91 0.03 0.00 0.02 0.00 0.00 55.97 54.81 1pns s LYS 3 Cb -0.42 -1.42 0.06 0.00 -0.52 0.00 0.00 37.83 35.53 1pns s LYS 3 CO 0.31 0.04 -0.09 0.42 -0.92 0.00 0.00 175.35 175.11 1pns s ILE 4 N -2.83 2.11 0.36 2.17 1.01 -1.07 -1.52 121.20 121.43 1pns s ILE 4 Ca 0.32 -1.67 -0.00 0.00 0.00 0.00 0.00 60.65 59.31 1pns s ILE 4 Cb 0.05 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.25 1pns s ILE 4 CO 0.15 -0.10 0.47 -2.11 0.00 0.00 0.00 174.94 173.35 1pns n ARG 5 N 4.44 0.67 -3.08 2.79 1.85 0.08 -1.40 116.66 122.01 1pns n ARG 5 Ca -0.12 -3.00 -0.31 0.00 -1.00 0.00 0.00 57.85 53.42 1pns n ARG 5 Cb 0.42 2.80 -0.04 0.00 -1.05 0.00 0.00 32.46 34.59 1pns n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1pns s LEU 6 N 0.00 3.97 -0.13 2.89 1.02 -1.26 0.48 118.68 125.65 1pns s LEU 6 Ca 0.32 1.07 -0.02 0.00 0.02 0.00 0.00 54.13 55.52 1pns s LEU 6 Cb -0.00 -3.90 0.04 0.00 0.02 0.00 0.00 46.19 42.35 1pns s LEU 6 CO 0.23 -0.27 0.01 0.00 0.02 0.00 0.00 176.35 176.33 1pns s ALA 7 N -2.15 0.91 0.03 4.21 0.00 -1.19 -4.86 121.76 118.71 1pns s ALA 7 Ca 0.50 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 1pns s ALA 7 Cb -0.10 -0.96 -0.09 0.00 0.00 0.00 0.00 23.12 21.96 1pns s ALA 7 CO 0.26 -0.78 1.97 0.54 0.00 0.00 0.00 175.76 177.75 1pns n ARG 8 N 5.08 2.85 0.00 0.00 5.12 -1.26 -2.01 116.66 126.44 1pns n ARG 8 Ca -0.08 1.05 0.00 0.00 -1.93 0.00 0.00 57.85 56.88 1pns n ARG 8 Cb 0.49 -3.00 0.00 0.00 -1.16 0.00 0.00 32.46 28.79 1pns n ARG 8 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1pns n PHE 9 N 7.48 0.00 0.00 -1.55 3.72 0.30 -4.87 117.46 122.54 1pns n PHE 9 Ca 0.20 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 1pns n PHE 9 Cb 0.40 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 1pns n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pns n GLY 10 N -0.01 -1.61 3.81 1.37 0.00 -0.97 -4.68 105.19 103.10 1pns n GLY 10 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 45.98 1pns n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pns s SER 11 N -1.74 -0.00 -0.03 1.61 1.04 -0.77 -4.83 113.70 108.97 1pns s SER 11 Ca 0.00 -0.00 -0.34 0.00 0.48 0.00 0.00 55.95 56.08 1pns s SER 11 Cb 0.00 0.00 -0.12 0.00 0.10 0.00 0.00 66.02 66.00 1pns s SER 11 CO 0.00 -0.01 1.81 1.17 0.98 0.00 0.00 173.24 177.19 1pns n LYS 12 N -0.76 2.16 -0.79 4.02 4.81 -1.26 -0.30 118.16 126.04 1pns n LYS 12 Ca -0.01 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 1pns n LYS 12 Cb 0.61 -2.61 0.00 0.00 0.02 0.00 0.00 35.03 33.04 1pns n LYS 12 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1pns n HIS 13 N 5.88 0.00 -2.82 5.64 8.25 -1.26 -4.80 115.22 126.10 1pns n HIS 13 Ca 0.21 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.48 1pns n HIS 13 Cb 0.29 -1.34 -0.01 0.00 1.12 0.00 0.00 29.99 30.05 1pns n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1pns n ASN 14 N -0.35 2.69 -4.77 0.41 5.15 0.58 -5.10 115.26 113.87 1pns n ASN 14 Ca 0.00 -3.23 -0.40 0.00 -0.60 0.00 0.00 54.58 50.35 1pns n ASN 14 Cb 0.18 -0.54 0.01 0.00 -0.53 0.00 0.00 39.78 38.89 1pns n ASN 14 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1pns s PRO 15 N -3.11 3.77 -0.23 1.20 0.04 -1.19 -1.85 135.00 133.64 1pns s PRO 15 Ca 0.40 2.45 -0.03 0.00 0.04 0.00 0.00 61.00 63.86 1pns s PRO 15 Cb 0.38 -2.72 0.12 0.00 0.04 0.00 0.00 34.50 32.32 1pns s PRO 15 CO -0.08 -0.76 0.33 -1.01 0.04 0.00 0.00 177.00 175.52 1pns s HIS 16 N -1.19 -0.66 0.54 0.56 3.76 -1.26 -4.46 115.29 112.58 1pns s HIS 16 Ca 0.59 0.66 -0.02 0.00 -0.15 0.00 0.00 55.06 56.14 1pns s HIS 16 Cb -0.44 -0.09 0.02 0.00 1.11 0.00 0.00 32.58 33.17 1pns s HIS 16 CO 0.58 -0.68 0.80 0.71 -0.85 0.00 0.00 174.74 175.30 1pns s TYR 17 N 2.48 3.10 -0.30 1.40 1.51 -0.58 -0.54 117.35 124.43 1pns s TYR 17 Ca 0.11 0.31 0.00 0.00 -1.01 0.00 0.00 57.07 56.48 1pns s TYR 17 Cb -0.15 -2.65 0.09 0.00 -0.11 0.00 0.00 41.96 39.14 1pns s TYR 17 CO -0.15 -0.74 0.07 1.03 -1.11 0.00 0.00 175.55 174.65 1pns s ARG 18 N -4.81 0.94 -0.25 -0.62 0.52 -0.85 -2.13 118.95 111.74 1pns s ARG 18 Ca 0.54 -1.14 -0.33 0.00 -0.52 0.00 0.00 55.73 54.27 1pns s ARG 18 Cb -0.10 -2.27 -0.10 0.00 0.52 0.00 0.00 34.95 33.00 1pns s ARG 18 CO 0.41 -0.91 2.11 -0.89 0.02 0.00 0.00 175.30 176.04 1pns n ILE 19 N 4.75 0.32 -4.30 1.52 5.41 -0.23 -3.19 119.36 123.63 1pns n ILE 19 Ca -0.03 -0.27 -0.19 0.00 1.00 0.00 0.00 62.75 63.26 1pns n ILE 19 Cb 0.43 -1.91 -0.11 0.00 -0.71 0.00 0.00 39.64 37.34 1pns n ILE 19 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1pns s VAL 20 N 6.69 1.60 -0.46 1.39 1.01 0.18 -1.46 120.40 129.35 1pns s VAL 20 Ca 1.03 -1.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 1pns s VAL 20 Cb -0.70 -1.79 0.12 0.00 0.00 0.00 0.00 36.38 34.01 1pns s VAL 20 CO 0.47 -0.44 0.29 -0.69 0.00 0.00 0.00 175.10 174.73 1pns s VAL 21 N -2.38 3.74 0.46 2.92 1.01 -0.17 -0.74 120.40 125.24 1pns s VAL 21 Ca 0.15 -2.04 0.03 0.00 0.00 0.00 0.00 61.98 60.12 1pns s VAL 21 Cb -0.04 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1pns s VAL 21 CO 0.05 -0.75 0.09 0.28 0.00 0.00 0.00 175.10 174.77 1pns s THR 22 N 1.10 0.71 0.02 3.92 -1.32 -0.57 0.17 115.64 119.68 1pns s THR 22 Ca 0.08 -2.00 -0.20 0.00 -1.21 0.00 0.00 61.69 58.37 1pns s THR 22 Cb -0.24 -2.19 -0.06 0.00 -1.51 0.00 0.00 72.50 68.51 1pns s THR 22 CO -0.03 0.00 0.57 -0.62 -2.21 0.00 0.00 174.62 172.33 1pns s ASP 23 N -3.74 6.99 0.45 8.08 -1.08 -1.26 -0.15 116.67 125.96 1pns s ASP 23 Ca 0.14 1.18 0.29 0.00 -0.52 0.00 0.00 52.55 53.63 1pns s ASP 23 Cb 0.01 -2.35 1.36 0.00 -1.46 0.00 0.00 42.92 40.48 1pns s ASP 23 CO 0.09 0.18 1.69 0.00 0.52 0.00 0.00 175.17 177.65 1pns h ALA 24 N 5.19 2.70 0.00 3.66 0.00 -1.17 -1.64 119.26 128.00 1pns h ALA 24 Ca -0.47 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1pns h ALA 24 Cb 1.21 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1pns h ALA 24 CO 0.67 -1.22 0.00 0.54 0.00 0.00 0.00 179.25 179.24 1pns n ARG 25 N -4.56 0.06 -1.70 0.00 1.74 -1.26 -4.92 116.66 106.03 1pns n ARG 25 Ca 0.32 0.09 -0.29 0.00 -0.77 0.00 0.00 57.85 57.21 1pns n ARG 25 Cb 1.27 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 31.32 1pns n ARG 25 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1pns s ARG 26 N -2.92 1.66 0.87 5.56 0.52 -0.62 -5.00 118.95 119.01 1pns s ARG 26 Ca 0.13 0.27 -0.11 0.00 -0.52 0.00 0.00 55.73 55.50 1pns s ARG 26 Cb 0.15 -1.90 0.12 0.00 0.52 0.00 0.00 34.95 33.84 1pns s ARG 26 CO 0.41 -1.84 1.16 0.15 0.02 0.00 0.00 175.30 175.20 1pns s LYS 27 N -5.38 1.34 0.30 3.54 1.02 -1.26 -4.86 119.74 114.45 1pns s LYS 27 Ca 0.62 1.57 0.09 0.00 0.02 0.00 0.00 55.97 58.27 1pns s LYS 27 Cb -0.13 -1.76 0.48 0.00 -0.52 0.00 0.00 37.83 35.90 1pns s LYS 27 CO 0.52 -2.40 1.70 0.07 -0.92 0.00 0.00 175.35 174.32 1pns h ARG 28 N -1.50 0.12 -0.60 1.68 0.11 -1.94 -2.42 114.38 109.82 1pns h ARG 28 Ca -0.44 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1pns h ARG 28 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1pns h ARG 28 CO 0.44 0.56 0.00 -0.25 0.10 0.00 0.00 179.97 180.82 1pns n ASP 29 N -3.98 5.36 -2.10 0.08 10.43 -1.26 -4.62 116.55 120.46 1pns n ASP 29 Ca -0.02 -2.75 0.00 0.00 2.57 0.00 0.00 54.79 54.60 1pns n ASP 29 Cb 0.50 -0.64 0.00 0.00 1.84 0.00 0.00 41.12 42.82 1pns n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1pns n GLY 30 N 0.81 -0.54 3.64 0.44 0.00 -0.91 -4.98 105.19 103.65 1pns n GLY 30 Ca 0.27 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 1pns n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pns s LYS 31 N -2.12 3.98 0.67 1.61 2.20 -1.26 -4.93 119.74 119.89 1pns s LYS 31 Ca 0.00 1.86 -0.01 0.00 -0.36 0.00 0.00 55.97 57.46 1pns s LYS 31 Cb 0.00 -3.99 0.10 0.00 -1.51 0.00 0.00 37.83 32.42 1pns s LYS 31 CO 0.00 -1.08 0.94 1.52 -0.36 0.00 0.00 175.35 176.37 1pns s TYR 32 N 4.63 2.07 -0.04 4.03 1.13 -1.26 -4.80 117.35 123.11 1pns s TYR 32 Ca 0.71 -0.13 0.05 0.00 -1.41 0.00 0.00 57.07 56.29 1pns s TYR 32 Cb -0.28 -2.96 -0.24 0.00 -1.10 0.00 0.00 41.96 37.38 1pns s TYR 32 CO 0.28 -1.46 0.69 0.82 -2.51 0.00 0.00 175.55 173.37 1pns h ILE 33 N -0.38 0.93 -1.60 -3.49 2.04 -0.63 -3.48 117.51 110.89 1pns h ILE 33 Ca -0.39 -2.70 0.10 0.00 1.00 0.00 0.00 64.86 62.87 1pns h ILE 33 Cb 1.28 2.54 -0.22 0.00 -0.74 0.00 0.00 36.82 39.67 1pns h ILE 33 CO 0.45 0.67 0.58 -0.70 0.00 0.00 0.00 178.15 179.16 1pns s GLU 34 N -2.60 0.57 -0.04 2.37 2.12 -1.07 -4.99 118.70 115.05 1pns s GLU 34 Ca -0.09 0.08 -0.05 0.00 0.36 0.00 0.00 54.97 55.27 1pns s GLU 34 Cb 0.08 0.27 -0.04 0.00 0.26 0.00 0.00 34.13 34.69 1pns s GLU 34 CO 0.82 -0.19 0.19 0.21 -0.54 0.00 0.00 175.26 175.74 1pns s LYS 35 N -1.38 3.46 0.00 4.30 2.20 -1.26 -1.00 119.74 126.06 1pns s LYS 35 Ca 0.00 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 1pns s LYS 35 Cb -0.01 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 1pns s LYS 35 CO -0.00 0.70 0.17 0.44 -0.36 0.00 0.00 175.35 176.30 1pns n ILE 36 N 1.26 0.01 0.00 5.43 -5.35 -0.54 -4.94 119.36 115.23 1pns n ILE 36 Ca -0.13 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 1pns n ILE 36 Cb 0.53 1.66 0.00 0.00 -1.74 0.00 0.00 39.64 40.10 1pns n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pns n GLY 37 N -0.00 -0.98 3.26 3.28 0.00 -1.01 -3.70 105.19 106.04 1pns n GLY 37 Ca 0.00 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 1pns n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pns s TYR 38 N -2.00 -0.04 -0.11 1.61 -0.85 -1.09 -1.07 117.35 113.80 1pns s TYR 38 Ca 0.00 -0.33 -0.05 0.00 -0.52 0.00 0.00 57.07 56.17 1pns s TYR 38 Cb 0.00 0.11 0.05 0.00 0.38 0.00 0.00 41.96 42.50 1pns s TYR 38 CO 0.00 -0.63 0.24 -0.47 -1.52 0.00 0.00 175.55 173.17 1pns s TYR 39 N -3.83 -0.33 -0.51 -3.49 5.04 -0.91 -2.81 117.35 110.52 1pns s TYR 39 Ca 0.04 0.79 -0.11 0.00 -2.44 0.00 0.00 57.07 55.35 1pns s TYR 39 Cb 0.03 0.02 0.13 0.00 0.35 0.00 0.00 41.96 42.49 1pns s TYR 39 CO -0.12 -0.25 0.41 0.34 -1.34 0.00 0.00 175.55 174.59 1pns s ASP 40 N 1.46 5.86 0.34 4.32 3.68 -0.52 -1.52 116.67 130.28 1pns s ASP 40 Ca -0.07 -1.95 0.14 0.00 2.13 0.00 0.00 52.55 52.79 1pns s ASP 40 Cb -0.11 -2.06 1.04 0.00 -1.45 0.00 0.00 42.92 40.34 1pns s ASP 40 CO -0.08 -0.72 1.68 -0.65 0.13 0.00 0.00 175.17 175.53 1pns h PRO 41 N 8.49 0.38 -0.63 4.34 0.11 -1.86 -0.60 132.00 142.23 1pns h PRO 41 Ca -0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1pns h PRO 41 Cb 1.07 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1pns h PRO 41 CO 0.90 0.25 0.00 0.54 -0.21 0.00 0.00 178.00 179.48 1pns n ARG 42 N -4.99 3.28 -3.94 1.05 1.74 -1.26 -4.95 116.66 107.58 1pns n ARG 42 Ca 0.30 -2.41 -0.30 0.00 -0.77 0.00 0.00 57.85 54.68 1pns n ARG 42 Cb 0.93 -1.79 -0.02 0.00 -1.02 0.00 0.00 32.46 30.55 1pns n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1pns n LYS 43 N 0.94 -0.65 0.00 5.56 4.01 -0.23 -4.74 118.16 123.05 1pns n LYS 43 Ca 0.22 -0.03 0.10 0.00 -0.51 0.00 0.00 58.31 58.09 1pns n LYS 43 Cb 0.76 -2.05 0.45 0.00 -0.51 0.00 0.00 35.03 33.69 1pns n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1pns n THR 44 N -3.88 0.56 -3.97 -0.18 -2.24 -1.26 -4.76 114.28 98.55 1pns n THR 44 Ca -0.15 0.14 -0.08 0.00 -2.27 0.00 0.00 64.05 61.68 1pns n THR 44 Cb 0.46 -0.80 -0.09 0.00 -2.10 0.00 0.00 70.33 67.80 1pns n THR 44 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1pns s THR 45 N -2.88 0.16 0.59 4.28 -4.23 -1.26 -5.03 115.64 107.28 1pns s THR 45 Ca 0.12 -1.35 0.41 0.00 -1.18 0.00 0.00 61.69 59.69 1pns s THR 45 Cb 0.13 -1.20 0.41 0.00 1.34 0.00 0.00 72.50 73.18 1pns s THR 45 CO 0.35 -0.75 2.24 1.55 -0.54 0.00 0.00 174.62 177.47 1pns h PRO 46 N 3.30 0.00 -2.53 3.99 0.13 -2.02 -3.07 132.00 131.79 1pns h PRO 46 Ca -0.33 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.10 1pns h PRO 46 Cb 1.17 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.95 1pns h PRO 46 CO 0.57 0.00 0.08 -3.47 -0.23 0.00 0.00 178.00 174.94 1pns n ASP 47 N -2.97 5.08 -1.59 1.44 4.64 -1.26 -4.85 116.55 117.03 1pns n ASP 47 Ca -0.03 -3.44 0.08 0.00 -1.38 0.00 0.00 54.79 50.02 1pns n ASP 47 Cb 0.12 -0.96 0.34 0.00 -1.04 0.00 0.00 41.12 39.58 1pns n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.82 0.00 0.00 177.20 173.71 1pns n TRP 48 N 1.05 1.57 -3.08 -0.67 4.27 -1.16 -4.82 117.44 114.58 1pns n TRP 48 Ca 0.28 -0.59 0.04 0.00 -3.89 0.00 0.00 57.50 53.34 1pns n TRP 48 Cb 0.37 -0.32 0.00 0.00 -1.36 0.00 0.00 31.31 30.00 1pns n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 1pns s LEU 49 N -2.01 -0.78 0.13 5.67 2.96 -1.26 -1.44 118.68 121.94 1pns s LEU 49 Ca 0.48 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 1pns s LEU 49 Cb 0.33 1.35 -0.04 0.00 0.50 0.00 0.00 46.19 48.33 1pns s LEU 49 CO 0.20 -0.13 0.20 -0.75 -1.32 0.00 0.00 176.35 174.55 1pns s LYS 50 N 2.63 3.20 0.00 1.98 2.20 -1.12 -5.00 119.74 123.63 1pns s LYS 50 Ca 0.20 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 1pns s LYS 50 Cb -0.03 -2.85 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1pns s LYS 50 CO -0.21 0.53 0.00 0.28 -0.36 0.00 0.00 175.35 175.60 1pns n VAL 51 N -0.21 0.00 -3.92 4.02 0.31 -1.26 -2.69 118.33 114.58 1pns n VAL 51 Ca -0.07 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.86 1pns n VAL 51 Cb 0.53 0.71 0.02 0.00 -0.91 0.00 0.00 33.84 34.20 1pns n VAL 51 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1pns n ASP 52 N 0.00 -4.64 0.05 4.52 2.03 -1.24 -4.52 116.55 112.75 1pns n ASP 52 Ca 0.00 -1.16 0.22 0.00 0.52 0.00 0.00 54.79 54.36 1pns n ASP 52 Cb 0.00 -2.21 0.73 0.00 -0.72 0.00 0.00 41.12 38.92 1pns n ASP 52 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1pns h VAL 53 N -2.11 0.40 0.33 5.18 -1.51 -1.88 -2.09 116.25 114.57 1pns h VAL 53 Ca -0.68 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1pns h VAL 53 Cb 1.39 0.62 -0.03 0.00 -2.13 0.00 0.00 31.29 31.13 1pns h VAL 53 CO 0.49 0.00 -0.47 -0.08 -1.23 0.00 0.00 177.57 176.28 1pns h GLU 54 N 0.00 -0.81 -0.25 5.19 4.57 -1.98 -2.75 114.58 118.56 1pns h GLU 54 Ca 0.23 0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.47 1pns h GLU 54 Cb 1.21 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.98 1pns h GLU 54 CO -0.00 -0.54 0.14 0.00 -1.18 0.00 0.00 179.01 177.42 1pns h ARG 55 N -0.84 0.34 -0.26 1.92 2.47 -1.71 -3.01 114.38 113.29 1pns h ARG 55 Ca -0.03 -0.04 0.03 0.00 -1.26 0.00 0.00 59.98 58.68 1pns h ARG 55 Cb 0.78 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.99 1pns h ARG 55 CO -0.14 0.30 -0.31 0.00 0.56 0.00 0.00 179.97 180.38 1pns h ALA 56 N 1.03 -0.54 -1.36 0.04 0.00 -1.49 0.49 119.26 117.42 1pns h ALA 56 Ca 0.09 0.00 0.42 0.00 0.00 0.00 0.00 54.91 55.42 1pns h ALA 56 Cb 0.05 0.97 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 1pns h ALA 56 CO -0.01 -0.70 0.91 0.00 0.00 0.00 0.00 179.25 179.45 1pns h ARG 57 N -0.20 0.11 0.07 0.00 3.08 -1.47 0.89 114.38 116.85 1pns h ARG 57 Ca 0.04 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1pns h ARG 57 Cb 0.32 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1pns h ARG 57 CO -0.35 0.07 -0.03 -0.92 -1.07 0.00 0.00 179.97 177.67 1pns h TYR 58 N 0.11 -0.08 -0.38 3.04 5.03 0.06 0.44 116.97 125.18 1pns h TYR 58 Ca 0.76 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 62.09 1pns h TYR 58 Cb 2.54 0.03 -0.02 0.00 1.55 0.00 0.00 36.73 40.83 1pns h TYR 58 CO -0.00 0.24 0.23 -1.49 -1.32 0.00 0.00 178.16 175.81 1pns h TRP 59 N -0.41 0.43 -0.61 -3.82 4.06 0.20 0.63 115.95 116.43 1pns h TRP 59 Ca -0.01 0.01 0.04 0.00 2.06 0.00 0.00 58.89 60.99 1pns h TRP 59 Cb 0.36 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 28.35 1pns h TRP 59 CO 0.03 0.25 0.40 -0.07 -3.56 0.00 0.00 178.44 175.50 1pns h LEU 60 N 0.46 0.59 -1.59 -4.49 3.38 -1.03 0.28 115.31 112.91 1pns h LEU 60 Ca 0.15 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1pns h LEU 60 Cb 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1pns h LEU 60 CO -0.07 0.40 0.52 -1.28 0.09 0.00 0.00 178.44 178.10 1pns h SER 61 N 0.69 0.00 -1.14 -0.43 0.87 0.14 -2.95 113.55 110.74 1pns h SER 61 Ca 0.25 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 60.41 1pns h SER 61 Cb 0.13 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 61.69 1pns h SER 61 CO -0.07 0.00 -1.13 0.52 -0.53 0.00 0.00 176.83 175.62 1pns n VAL 62 N -2.98 1.14 -0.12 2.23 0.31 0.94 -4.99 118.33 114.86 1pns n VAL 62 Ca 0.01 -3.42 0.00 0.00 -0.01 0.00 0.00 64.34 60.93 1pns n VAL 62 Cb 0.59 0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.86 1pns n VAL 62 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pns n GLY 63 N -0.10 1.12 3.69 2.92 0.00 -1.11 -5.02 105.19 106.69 1pns n GLY 63 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 1pns n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pns n ALA 64 N -1.03 1.83 -3.76 4.61 0.00 -0.88 -4.69 120.51 116.59 1pns n ALA 64 Ca 0.00 0.37 -0.34 0.00 0.00 0.00 0.00 53.44 53.47 1pns n ALA 64 Cb 0.00 -2.48 -0.14 0.00 0.00 0.00 0.00 19.45 16.83 1pns n ALA 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1pns s GLN 65 N 2.01 2.40 0.27 0.00 2.00 -0.79 -4.54 119.66 121.00 1pns s GLN 65 Ca 0.81 -1.27 -0.29 0.00 -2.00 0.00 0.00 55.36 52.61 1pns s GLN 65 Cb -0.59 -3.09 -0.09 0.00 0.80 0.00 0.00 33.01 30.04 1pns s GLN 65 CO 0.39 -0.59 1.12 -1.25 -0.50 0.00 0.00 175.29 174.46 1pns s PRO 66 N 1.22 4.60 1.02 1.67 0.04 -1.26 -2.59 135.00 139.70 1pns s PRO 66 Ca -0.06 1.84 -0.12 0.00 0.04 0.00 0.00 61.00 62.70 1pns s PRO 66 Cb -0.20 -3.19 0.18 0.00 0.04 0.00 0.00 34.50 31.33 1pns s PRO 66 CO -0.02 0.14 0.93 2.41 0.04 0.00 0.00 177.00 180.51 1pns n THR 67 N 1.38 0.00 0.37 1.26 -1.04 -0.50 -4.69 114.28 111.06 1pns n THR 67 Ca -0.00 -0.19 -0.14 0.00 -2.04 0.00 0.00 64.05 61.67 1pns n THR 67 Cb 0.45 -0.93 -0.07 0.00 -1.82 0.00 0.00 70.33 67.96 1pns n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1pns h ASP 68 N -2.15 -0.79 -1.06 8.00 3.32 -1.96 -1.26 116.42 120.52 1pns h ASP 68 Ca -0.50 0.03 0.29 0.00 0.02 0.00 0.00 57.03 56.87 1pns h ASP 68 Cb 1.30 0.20 -0.07 0.00 0.22 0.00 0.00 39.33 40.98 1pns h ASP 68 CO 0.43 -0.54 0.72 0.74 -1.72 0.00 0.00 179.24 178.87 1pns h THR 69 N -0.98 0.49 -0.35 0.35 2.02 -1.98 0.34 112.91 112.81 1pns h THR 69 Ca -0.10 -0.07 -0.08 0.00 0.77 0.00 0.00 66.41 66.93 1pns h THR 69 Cb 0.71 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1pns h THR 69 CO 0.16 0.04 -0.11 0.00 0.37 0.00 0.00 175.52 175.97 1pns h ALA 70 N 1.54 0.49 -0.73 6.16 0.00 -1.79 -2.84 119.26 122.09 1pns h ALA 70 Ca 0.56 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1pns h ALA 70 Cb 1.77 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 1pns h ALA 70 CO -0.16 0.36 0.40 -0.09 0.00 0.00 0.00 179.25 179.76 1pns h ARG 71 N 0.48 1.02 0.00 0.00 2.43 0.84 -0.09 114.38 119.06 1pns h ARG 71 Ca 0.09 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1pns h ARG 71 Cb 0.63 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1pns h ARG 71 CO 0.04 0.76 -0.04 -0.09 -1.51 0.00 0.00 179.97 179.13 1pns h ARG 72 N 1.01 0.00 0.16 0.20 2.43 -1.18 0.52 114.38 117.52 1pns h ARG 72 Ca 0.26 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.09 1pns h ARG 72 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1pns h ARG 72 CO -0.04 0.04 -1.71 -0.07 -1.51 0.00 0.00 179.97 176.68 1pns h LEU 73 N 0.00 0.52 -1.28 3.80 3.38 -1.18 -2.94 115.31 117.60 1pns h LEU 73 Ca -0.00 -0.79 -0.04 0.00 0.09 0.00 0.00 57.88 57.14 1pns h LEU 73 Cb 0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1pns h LEU 73 CO 0.01 1.67 0.05 -0.07 0.09 0.00 0.00 178.44 180.19 1pns h LEU 74 N 0.09 0.50 -0.20 1.67 3.38 -0.18 -2.26 115.31 118.31 1pns h LEU 74 Ca -0.32 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 1pns h LEU 74 Cb 2.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 1pns h LEU 74 CO 0.16 0.53 -0.00 -0.09 0.09 0.00 0.00 178.44 179.13 1pns h ARG 75 N 0.53 0.36 -0.99 1.13 2.43 -0.04 -0.53 114.38 117.27 1pns h ARG 75 Ca 0.12 -0.12 0.22 0.00 -0.81 0.00 0.00 59.98 59.39 1pns h ARG 75 Cb 0.26 -0.03 -0.12 0.00 -0.42 0.00 0.00 29.97 29.66 1pns h ARG 75 CO 0.00 0.56 0.58 1.96 -1.51 0.00 0.00 179.97 181.56 1pns h GLN 76 N 0.12 0.61 -0.94 0.20 4.20 -1.23 1.46 115.11 119.52 1pns h GLN 76 Ca 0.06 -0.04 -0.19 0.00 0.06 0.00 0.00 58.65 58.54 1pns h GLN 76 Cb 0.40 -0.14 -0.11 0.00 0.30 0.00 0.00 27.48 27.93 1pns h GLN 76 CO 0.01 0.40 0.24 0.00 -0.67 0.00 0.00 178.83 178.81 1pns n ALA 77 N -2.34 3.81 -3.99 3.87 0.00 -0.97 -4.90 120.51 115.99 1pns n ALA 77 Ca 0.25 -1.30 -0.39 0.00 0.00 0.00 0.00 53.44 51.99 1pns n ALA 77 Cb 0.67 -1.18 0.01 0.00 0.00 0.00 0.00 19.45 18.95 1pns n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pns n GLY 78 N -0.15 -0.98 0.13 0.00 0.00 0.50 -4.83 105.19 99.86 1pns n GLY 78 Ca 0.25 0.42 0.10 0.00 0.00 0.00 0.00 46.02 46.79 1pns n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pns h VAL 79 N -1.80 0.09 0.00 1.61 2.07 -1.21 -3.37 116.25 113.64 1pns h VAL 79 Ca -0.68 -1.15 -0.35 0.00 0.82 0.00 0.00 66.70 65.34 1pns h VAL 79 Cb 1.39 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.78 1pns h VAL 79 CO 0.46 0.05 -2.30 0.49 0.02 0.00 0.00 177.57 176.29 1pns n PHE 80 N -2.81 0.00 -1.42 1.57 3.01 -1.26 -4.91 117.46 111.65 1pns n PHE 80 Ca -0.00 0.00 -0.60 0.00 1.01 0.00 0.00 57.45 57.85 1pns n PHE 80 Cb 0.58 -0.92 -0.11 0.00 -0.01 0.00 0.00 39.48 39.03 1pns n PHE 80 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1pns n ARG 81 N -2.83 0.21 -0.28 -1.08 0.63 -1.26 -4.79 116.66 107.26 1pns n ARG 81 Ca -0.34 0.07 0.09 0.00 -0.92 0.00 0.00 57.85 56.75 1pns n ARG 81 Cb 1.07 -1.66 0.25 0.00 0.45 0.00 0.00 32.46 32.56 1pns n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pns n GLN 82 N 6.67 2.77 0.00 -0.14 10.64 -1.26 -5.07 117.38 130.99 1pns n GLN 82 Ca 0.46 -2.39 0.00 0.00 -1.83 0.00 0.00 57.00 53.24 1pns n GLN 82 Cb 0.00 -1.44 0.00 0.00 -0.86 0.00 0.00 30.24 27.94 1pns n GLN 82 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62