#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pns s ARG 3 N 0.00 -0.89 0.00 0.54 0.52 -1.26 -5.09 118.95 112.77 1pns s ARG 3 Ca 0.00 0.27 0.00 0.00 -0.52 0.00 0.00 55.73 55.48 1pns s ARG 3 Cb 0.00 -1.60 0.00 0.00 0.52 0.00 0.00 34.95 33.87 1pns s ARG 3 CO 0.00 -3.56 0.00 -1.13 0.02 0.00 0.00 175.30 170.63 1pns n SER 4 N -4.72 0.00 -0.04 0.23 3.41 -1.26 -5.05 113.62 106.19 1pns n SER 4 Ca 0.09 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.63 1pns n SER 4 Cb 0.58 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.50 1pns n SER 4 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1pns n LEU 5 N 0.00 2.02 0.00 1.04 4.77 -1.26 -5.13 117.00 118.43 1pns n LEU 5 Ca 0.00 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1pns n LEU 5 Cb 0.00 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1pns n LEU 5 CO 0.00 0.45 0.00 0.29 -1.33 0.00 0.00 177.39 176.80 1pns n LYS 6 N -3.00 0.00 -3.88 3.23 5.02 -1.26 -4.95 118.16 113.33 1pns n LYS 6 Ca -0.15 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.84 1pns n LYS 6 Cb 0.64 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.50 1pns n LYS 6 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1pns s LYS 7 N 0.00 1.27 0.00 1.97 -2.85 -1.26 -4.85 119.74 114.02 1pns s LYS 7 Ca 0.00 -1.74 0.00 0.00 -1.00 0.00 0.00 55.97 53.23 1pns s LYS 7 Cb 0.00 -2.71 0.00 0.00 -2.06 0.00 0.00 37.83 33.06 1pns s LYS 7 CO 0.00 -1.01 0.00 0.41 0.10 0.00 0.00 175.35 174.85 1pns n GLY 8 N 4.19 0.22 1.87 0.59 0.00 -1.26 -5.06 105.19 105.74 1pns n GLY 8 Ca 0.03 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1pns n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pns n VAL 9 N 0.00 0.00 -2.50 1.61 0.31 -1.26 -4.82 118.33 111.67 1pns n VAL 9 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 1pns n VAL 9 Cb 0.00 -0.28 -0.04 0.00 -0.91 0.00 0.00 33.84 32.61 1pns n VAL 9 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1pns s PHE 10 N 4.04 3.61 -0.26 3.52 5.99 -1.26 -4.97 117.98 128.66 1pns s PHE 10 Ca 0.71 1.70 -0.05 0.00 0.00 0.00 0.00 56.93 59.28 1pns s PHE 10 Cb -0.78 -3.26 0.13 0.00 0.00 0.00 0.00 43.02 39.11 1pns s PHE 10 CO 0.33 -0.49 0.51 0.08 -0.00 0.00 0.00 175.22 175.65 1pns s VAL 11 N -1.03 -0.80 0.31 3.12 1.01 -1.26 -1.37 120.40 120.38 1pns s VAL 11 Ca 0.45 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 1pns s VAL 11 Cb -0.31 -0.86 -0.12 0.00 0.00 0.00 0.00 36.38 35.09 1pns s VAL 11 CO 0.40 -0.01 1.45 0.47 0.00 0.00 0.00 175.10 177.41 1pns n ASP 12 N 5.41 3.30 -1.51 3.32 9.92 -1.26 -4.87 116.55 130.85 1pns n ASP 12 Ca -0.06 1.18 -0.10 0.00 -0.53 0.00 0.00 54.79 55.28 1pns n ASP 12 Cb 0.50 -1.53 0.09 0.00 -0.64 0.00 0.00 41.12 39.53 1pns n ASP 12 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1pns n ASP 13 N 1.45 3.32 -0.07 -2.24 3.85 -1.26 -3.21 116.55 118.39 1pns n ASP 13 Ca 0.07 -2.69 -0.10 0.00 -0.71 0.00 0.00 54.79 51.36 1pns n ASP 13 Cb 0.36 -0.65 -0.08 0.00 -1.35 0.00 0.00 41.12 39.40 1pns n ASP 13 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 1pns h HIS 14 N 0.53 0.00 0.00 2.11 3.86 -1.98 -3.30 115.15 116.37 1pns h HIS 14 Ca 0.26 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.29 1pns h HIS 14 Cb 1.78 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 30.22 1pns h HIS 14 CO 0.69 0.69 -1.19 1.37 0.86 0.00 0.00 177.93 180.35 1pns h LEU 15 N -1.00 0.00 0.00 2.43 8.10 -1.95 -3.24 115.31 119.64 1pns h LEU 15 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.95 1pns h LEU 15 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.92 1pns h LEU 15 CO -0.02 0.69 0.00 -0.11 -4.11 0.00 0.00 178.44 174.89 1pns n LEU 16 N -3.06 0.04 0.00 0.17 7.94 -1.20 0.20 117.00 121.09 1pns n LEU 16 Ca -0.07 0.78 0.01 0.00 -1.11 0.00 0.00 56.01 55.62 1pns n LEU 16 Cb 0.87 -0.29 0.06 0.00 0.53 0.00 0.00 43.42 44.59 1pns n LEU 16 CO 0.43 -0.29 0.42 -1.84 -1.11 0.00 0.00 177.39 175.00 1pns n GLU 17 N -1.38 0.04 -0.01 1.96 0.28 -1.24 0.06 120.64 120.36 1pns n GLU 17 Ca 0.00 0.22 0.10 0.00 -0.16 0.00 0.00 57.16 57.32 1pns n GLU 17 Cb 0.00 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.22 1pns n GLU 17 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1pns n LYS 18 N -1.24 0.60 0.01 3.44 4.81 -0.96 -3.75 118.16 121.06 1pns n LYS 18 Ca 0.01 -0.14 -0.21 0.00 -0.87 0.00 0.00 58.31 57.10 1pns n LYS 18 Cb 0.02 -1.46 -0.14 0.00 0.02 0.00 0.00 35.03 33.46 1pns n LYS 18 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1pns n VAL 19 N -2.03 1.78 0.20 3.15 3.14 0.54 -3.97 118.33 121.14 1pns n VAL 19 Ca -0.02 -0.66 0.08 0.00 -2.96 0.00 0.00 64.34 60.78 1pns n VAL 19 Cb 0.47 -1.73 0.32 0.00 -1.06 0.00 0.00 33.84 31.84 1pns n VAL 19 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 1pns h LEU 20 N 0.07 0.00 -1.50 6.55 8.10 -1.52 -2.32 115.31 124.70 1pns h LEU 20 Ca -0.42 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.52 1pns h LEU 20 Cb 2.04 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 42.25 1pns h LEU 20 CO 0.09 0.30 -0.17 -0.33 -4.11 0.00 0.00 178.44 174.21 1pns h GLU 21 N 0.00 0.11 0.00 0.17 5.08 -1.71 0.17 114.58 118.40 1pns h GLU 21 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1pns h GLU 21 Cb 0.94 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1pns h GLU 21 CO 0.04 0.29 -0.06 1.28 -1.00 0.00 0.00 179.01 179.56 1pns n LEU 22 N -4.28 0.48 0.21 1.33 4.77 -0.90 -2.75 117.00 115.86 1pns n LEU 22 Ca -0.02 0.50 0.14 0.00 -0.03 0.00 0.00 56.01 56.60 1pns n LEU 22 Cb 0.27 -0.38 0.39 0.00 -2.33 0.00 0.00 43.42 41.37 1pns n LEU 22 CO 0.37 -0.09 0.88 0.78 -1.33 0.00 0.00 177.39 178.00 1pns h ASN 23 N 0.00 0.00 -0.17 -1.43 2.35 -0.40 -2.08 115.58 113.85 1pns h ASN 23 Ca 0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 1pns h ASN 23 Cb 0.64 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.01 1pns h ASN 23 CO 0.00 0.00 -0.54 0.00 -1.65 0.00 0.00 177.43 175.24 1pns h ALA 24 N 2.10 0.30 -0.53 -0.83 0.00 -1.34 -3.04 119.26 115.91 1pns h ALA 24 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1pns h ALA 24 Cb 0.76 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1pns h ALA 24 CO 0.00 0.51 0.01 1.63 0.00 0.00 0.00 179.25 181.40 1pns n LYS 25 N -4.13 4.49 0.00 0.00 4.01 -1.18 -4.99 118.16 116.35 1pns n LYS 25 Ca -0.07 -2.85 0.00 0.00 -0.51 0.00 0.00 58.31 54.89 1pns n LYS 25 Cb 0.62 -2.20 0.00 0.00 -0.51 0.00 0.00 35.03 32.94 1pns n LYS 25 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1pns n GLY 26 N 0.53 0.69 0.00 0.72 0.00 -0.91 -4.86 105.19 101.36 1pns n GLY 26 Ca 0.26 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1pns n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pns n GLU 27 N 0.00 0.00 -3.16 1.61 -0.58 -0.83 -3.58 120.64 114.10 1pns n GLU 27 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1pns n GLU 27 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1pns n GLU 27 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1pns n LYS 28 N 0.00 -0.11 -3.51 3.49 4.81 -1.26 -4.64 118.16 116.94 1pns n LYS 28 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 1pns n LYS 28 Cb 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.94 1pns n LYS 28 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1pns s ARG 29 N -0.32 1.11 0.00 1.64 0.52 -1.26 -4.99 118.95 115.65 1pns s ARG 29 Ca 0.00 -2.16 0.00 0.00 -0.52 0.00 0.00 55.73 53.05 1pns s ARG 29 Cb 0.00 -1.77 0.00 0.00 0.52 0.00 0.00 34.95 33.70 1pns s ARG 29 CO 0.00 -1.33 0.00 1.28 0.02 0.00 0.00 175.30 175.27 1pns n LEU 30 N 2.97 0.00 0.00 2.53 4.77 -1.26 -5.13 117.00 120.87 1pns n LEU 30 Ca 0.24 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.20 1pns n LEU 30 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1pns n LEU 30 CO 0.13 0.00 0.09 -0.38 -1.33 0.00 0.00 177.39 175.91 1pns n ILE 31 N 1.25 0.00 0.00 -0.08 2.08 -1.22 -4.95 119.36 116.44 1pns n ILE 31 Ca 0.00 -0.15 0.00 0.00 0.56 0.00 0.00 62.75 63.16 1pns n ILE 31 Cb 0.00 0.15 0.00 0.00 -0.75 0.00 0.00 39.64 39.04 1pns n ILE 31 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1pns n LYS 32 N -0.09 0.00 -4.20 0.38 2.85 -1.26 -3.47 118.16 112.37 1pns n LYS 32 Ca -0.01 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.09 1pns n LYS 32 Cb 0.10 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.37 1pns n LYS 32 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1pns s THR 33 N 0.00 1.08 -2.67 0.58 2.01 -1.11 -4.97 115.64 110.56 1pns s THR 33 Ca 0.00 -1.62 0.25 0.00 0.31 0.00 0.00 61.69 60.64 1pns s THR 33 Cb 0.00 -1.37 0.39 0.00 0.01 0.00 0.00 72.50 71.54 1pns s THR 33 CO 0.00 -0.47 1.52 0.79 -0.69 0.00 0.00 174.62 175.76 1pns n TRP 34 N 0.65 0.06 -1.72 4.92 5.03 -1.26 -3.65 117.44 121.46 1pns n TRP 34 Ca -0.17 -0.03 -0.41 0.00 3.03 0.00 0.00 57.50 59.93 1pns n TRP 34 Cb 0.57 0.00 -0.01 0.00 -1.03 0.00 0.00 31.31 30.84 1pns n TRP 34 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 1pns n SER 35 N 0.74 6.51 0.00 -0.99 2.88 -1.26 -4.53 113.62 116.96 1pns n SER 35 Ca 0.17 -2.84 0.13 0.00 -1.33 0.00 0.00 58.87 55.00 1pns n SER 35 Cb 0.47 -1.55 0.68 0.00 -0.75 0.00 0.00 64.21 63.06 1pns n SER 35 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1pns n ARG 36 N 4.12 0.48 0.14 -1.46 1.85 -1.26 -2.63 116.66 117.90 1pns n ARG 36 Ca 0.61 0.03 0.13 0.00 -1.00 0.00 0.00 57.85 57.63 1pns n ARG 36 Cb 0.30 -1.50 0.45 0.00 -1.05 0.00 0.00 32.46 30.66 1pns n ARG 36 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pns h ARG 37 N 0.00 0.00 -6.43 2.89 2.47 -1.85 -3.23 114.38 108.23 1pns h ARG 37 Ca 0.00 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.18 1pns h ARG 37 Cb 0.17 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.46 1pns h ARG 37 CO 0.00 0.00 0.04 -1.54 0.56 0.00 0.00 179.97 179.03 1pns s SER 38 N -4.65 7.05 0.77 7.04 1.04 -1.08 -4.89 113.70 118.98 1pns s SER 38 Ca 0.07 1.34 -0.11 0.00 0.48 0.00 0.00 55.95 57.73 1pns s SER 38 Cb 0.10 -2.39 0.05 0.00 0.10 0.00 0.00 66.02 63.88 1pns s SER 38 CO 0.51 0.13 1.08 -0.89 0.98 0.00 0.00 173.24 175.06 1pns s THR 39 N -1.36 3.39 -0.17 2.02 2.01 -0.47 -3.82 115.64 117.24 1pns s THR 39 Ca 0.37 0.45 -0.06 0.00 0.31 0.00 0.00 61.69 62.77 1pns s THR 39 Cb -0.18 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1pns s THR 39 CO 0.21 -0.59 0.02 -0.63 -0.69 0.00 0.00 174.62 172.94 1pns s ILE 40 N -3.09 4.44 0.16 1.82 1.01 -0.51 -4.76 121.20 120.27 1pns s ILE 40 Ca 0.60 -0.16 0.07 0.00 0.00 0.00 0.00 60.65 61.16 1pns s ILE 40 Cb -0.15 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 1pns s ILE 40 CO 0.55 0.47 -0.00 0.68 0.00 0.00 0.00 174.94 176.64 1pns s VAL 41 N 0.37 3.76 0.23 2.92 -7.23 -1.26 -3.93 120.40 115.26 1pns s VAL 41 Ca 0.00 -1.35 -0.13 0.00 -1.81 0.00 0.00 61.98 58.69 1pns s VAL 41 Cb -0.13 -2.87 0.29 0.00 0.56 0.00 0.00 36.38 34.23 1pns s VAL 41 CO 0.01 -0.07 1.44 -2.65 -0.31 0.00 0.00 175.10 173.52 1pns n PRO 42 N 0.00 -0.17 0.29 4.82 -0.02 -1.26 -0.01 135.00 138.66 1pns n PRO 42 Ca -0.10 1.43 0.09 0.00 -2.02 0.00 0.00 63.50 62.90 1pns n PRO 42 Cb 0.55 -2.12 0.41 0.00 -0.02 0.00 0.00 33.50 32.31 1pns n PRO 42 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1pns h GLU 43 N 0.00 0.00 0.05 -0.52 9.09 -2.01 1.04 114.58 122.22 1pns h GLU 43 Ca 0.36 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.54 1pns h GLU 43 Cb 0.60 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.68 1pns h GLU 43 CO -0.93 0.00 -1.09 0.52 0.05 0.00 0.00 179.01 177.57 1pns h MET 44 N 0.00 0.10 -6.03 1.06 2.86 -0.83 -3.45 114.93 108.64 1pns h MET 44 Ca 0.04 -0.17 -0.56 0.00 -2.06 0.00 0.00 59.70 56.94 1pns h MET 44 Cb 1.44 0.06 0.22 0.00 0.06 0.00 0.00 31.60 33.38 1pns h MET 44 CO -0.00 1.08 -1.62 0.28 1.06 0.00 0.00 176.91 177.71 1pns n VAL 45 N -3.42 0.03 0.00 -2.22 0.31 0.36 -1.07 118.33 112.32 1pns n VAL 45 Ca -0.03 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1pns n VAL 45 Cb 0.97 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.88 1pns n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pns n GLY 46 N 3.16 0.63 3.37 2.92 0.00 0.29 -4.91 105.19 110.64 1pns n GLY 46 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1pns n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pns s HIS 47 N 0.00 -0.28 -0.38 1.61 4.02 -0.23 -4.75 115.29 115.27 1pns s HIS 47 Ca 0.00 0.61 0.02 0.00 1.02 0.00 0.00 55.06 56.72 1pns s HIS 47 Cb 0.00 -3.01 0.16 0.00 -1.02 0.00 0.00 32.58 28.71 1pns s HIS 47 CO 0.00 -4.72 0.30 0.99 1.02 0.00 0.00 174.74 172.33 1pns s THR 48 N -2.41 0.11 -0.00 1.30 2.01 -1.26 -2.24 115.64 113.15 1pns s THR 48 Ca 0.69 -1.97 -0.22 0.00 0.31 0.00 0.00 61.69 60.51 1pns s THR 48 Cb -0.14 -1.07 -0.05 0.00 0.01 0.00 0.00 72.50 71.25 1pns s THR 48 CO 0.58 -1.00 0.64 -0.63 -0.69 0.00 0.00 174.62 173.52 1pns s ILE 49 N 0.70 4.88 -0.38 1.82 1.01 -1.01 -3.41 121.20 124.82 1pns s ILE 49 Ca 0.24 1.35 -0.14 0.00 0.00 0.00 0.00 60.65 62.10 1pns s ILE 49 Cb -0.10 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.40 1pns s ILE 49 CO -0.08 0.39 0.27 0.00 0.00 0.00 0.00 174.94 175.51 1pns s ALA 50 N -0.06 3.44 0.55 9.38 0.00 -1.23 -1.02 121.76 132.83 1pns s ALA 50 Ca 0.33 -1.63 -0.06 0.00 0.00 0.00 0.00 51.96 50.60 1pns s ALA 50 Cb -0.19 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 1pns s ALA 50 CO 0.18 -1.32 0.87 0.08 0.00 0.00 0.00 175.76 175.58 1pns s VAL 51 N 1.67 4.36 -0.25 0.00 1.01 0.31 -2.76 120.40 124.74 1pns s VAL 51 Ca 0.05 0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 1pns s VAL 51 Cb -0.19 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1pns s VAL 51 CO 0.09 -0.74 0.24 -0.47 0.00 0.00 0.00 175.10 174.23 1pns s TYR 52 N -2.92 3.29 0.22 5.22 5.04 -1.24 0.78 117.35 127.76 1pns s TYR 52 Ca 0.51 0.30 -0.06 0.00 -2.44 0.00 0.00 57.07 55.38 1pns s TYR 52 Cb -0.10 -2.39 0.20 0.00 0.35 0.00 0.00 41.96 40.02 1pns s TYR 52 CO 0.46 -0.05 1.76 -0.91 -1.34 0.00 0.00 175.55 175.48 1pns h ASN 53 N 7.79 1.01 0.00 4.32 -0.26 -0.57 -3.44 115.58 124.43 1pns h ASN 53 Ca -0.36 -0.19 0.00 0.00 -0.56 0.00 0.00 56.30 55.19 1pns h ASN 53 Cb 1.17 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 38.17 1pns h ASN 53 CO 0.64 0.95 0.00 0.61 -1.06 0.00 0.00 177.43 178.57 1pns n GLY 54 N -0.78 0.46 0.00 2.83 0.00 -1.26 -4.72 105.19 101.72 1pns n GLY 54 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1pns n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pns n LYS 55 N 0.00 0.00 -4.42 1.61 4.81 -1.26 -5.15 118.16 113.75 1pns n LYS 55 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 1pns n LYS 55 Cb 0.00 -0.16 -0.10 0.00 0.02 0.00 0.00 35.03 34.78 1pns n LYS 55 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1pns s GLN 56 N -1.00 1.57 -0.50 1.64 -1.52 -1.26 -5.11 119.66 113.48 1pns s GLN 56 Ca 0.00 -1.84 0.00 0.00 -1.95 0.00 0.00 55.36 51.57 1pns s GLN 56 Cb 0.00 -0.84 0.13 0.00 -0.22 0.00 0.00 33.01 32.08 1pns s GLN 56 CO 0.00 -0.14 0.27 -1.01 -0.25 0.00 0.00 175.29 174.16 1pns s HIS 57 N -3.29 3.45 -0.03 0.91 3.76 -1.25 0.18 115.29 119.02 1pns s HIS 57 Ca 0.34 -2.83 -0.23 0.00 -0.15 0.00 0.00 55.06 52.19 1pns s HIS 57 Cb 0.07 -3.05 -0.04 0.00 1.11 0.00 0.00 32.58 30.67 1pns s HIS 57 CO 0.14 -0.86 0.70 0.14 -0.85 0.00 0.00 174.74 174.00 1pns s VAL 58 N 0.31 4.96 -0.24 -0.90 -7.23 0.23 -4.77 120.40 112.76 1pns s VAL 58 Ca 0.14 1.45 -0.29 0.00 -1.81 0.00 0.00 61.98 61.47 1pns s VAL 58 Cb -0.22 -4.04 -0.02 0.00 0.56 0.00 0.00 36.38 32.66 1pns s VAL 58 CO -0.03 0.30 1.50 -2.16 -0.31 0.00 0.00 175.10 174.39 1pns s PRO 59 N 0.47 3.85 -0.27 4.82 0.04 -1.26 -0.53 135.00 142.12 1pns s PRO 59 Ca 0.37 1.53 0.01 0.00 0.04 0.00 0.00 61.00 62.95 1pns s PRO 59 Cb -0.18 -3.97 0.06 0.00 0.04 0.00 0.00 34.50 30.44 1pns s PRO 59 CO 0.19 -1.21 -0.07 0.08 0.04 0.00 0.00 177.00 176.02 1pns s VAL 60 N 4.85 2.45 -0.28 -0.36 1.01 -0.19 -4.96 120.40 122.91 1pns s VAL 60 Ca 0.66 -1.53 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1pns s VAL 60 Cb -0.22 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.74 1pns s VAL 60 CO 0.27 -0.04 1.23 -0.47 0.00 0.00 0.00 175.10 176.09 1pns s TYR 61 N 1.16 2.84 -0.47 5.22 5.04 -1.26 -2.39 117.35 127.48 1pns s TYR 61 Ca -0.07 0.98 -0.23 0.00 -2.44 0.00 0.00 57.07 55.31 1pns s TYR 61 Cb -0.20 -3.78 0.03 0.00 0.35 0.00 0.00 41.96 38.37 1pns s TYR 61 CO -0.04 -1.45 0.79 -1.50 -1.34 0.00 0.00 175.55 172.01 1pns s ILE 62 N 4.03 4.63 0.43 3.14 1.10 -0.95 -5.03 121.20 128.56 1pns s ILE 62 Ca 0.53 0.28 0.08 0.00 -0.51 0.00 0.00 60.65 61.03 1pns s ILE 62 Cb -0.16 -4.35 -0.01 0.00 0.15 0.00 0.00 42.46 38.09 1pns s ILE 62 CO 0.19 -0.80 0.46 -0.89 -2.11 0.00 0.00 174.94 171.79 1pns s THR 63 N 3.32 2.73 0.10 4.00 2.01 -1.26 -0.55 115.64 125.99 1pns s THR 63 Ca 0.28 -1.22 -0.28 0.00 0.31 0.00 0.00 61.69 60.78 1pns s THR 63 Cb -0.13 -2.95 -0.12 0.00 0.01 0.00 0.00 72.50 69.31 1pns s THR 63 CO 0.21 0.00 1.65 -0.08 -0.69 0.00 0.00 174.62 175.70 1pns h GLU 64 N 0.86 -0.51 -0.58 4.92 4.57 -1.97 -2.59 114.58 119.28 1pns h GLU 64 Ca -0.40 0.03 0.17 0.00 -1.18 0.00 0.00 59.36 57.98 1pns h GLU 64 Cb 1.27 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.96 1pns h GLU 64 CO 0.53 -0.34 0.93 -2.95 -1.18 0.00 0.00 179.01 176.00 1pns h ASN 65 N -0.53 0.00 -0.48 1.04 -1.07 -2.02 0.65 115.58 113.17 1pns h ASN 65 Ca -0.01 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.05 1pns h ASN 65 Cb 0.49 0.00 -0.20 0.00 -2.07 0.00 0.00 38.32 36.54 1pns h ASN 65 CO -0.05 0.00 -0.26 1.15 0.07 0.00 0.00 177.43 178.34 1pns n MET 66 N -3.12 2.39 0.00 4.14 0.00 -0.98 -4.88 117.12 114.66 1pns n MET 66 Ca 0.12 -3.50 0.00 0.00 0.00 0.00 0.00 57.70 54.32 1pns n MET 66 Cb 1.12 -1.97 0.00 0.00 0.00 0.00 0.00 33.22 32.37 1pns n MET 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1pns n VAL 67 N -0.99 0.00 0.16 3.17 0.31 0.22 -3.85 118.33 117.36 1pns n VAL 67 Ca 0.37 0.56 0.04 0.00 -0.01 0.00 0.00 64.34 65.31 1pns n VAL 67 Cb 0.93 -1.18 0.07 0.00 -0.91 0.00 0.00 33.84 32.75 1pns n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pns n GLY 68 N 0.74 -0.42 0.23 2.92 0.00 -1.25 -3.68 105.19 103.72 1pns n GLY 68 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 1pns n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pns n HIS 69 N -2.18 -2.76 -3.26 1.61 8.25 -1.25 -4.46 115.22 111.17 1pns n HIS 69 Ca 0.04 -0.06 -0.25 0.00 -0.26 0.00 0.00 57.72 57.19 1pns n HIS 69 Cb 0.85 -0.08 -0.07 0.00 1.12 0.00 0.00 29.99 31.81 1pns n HIS 69 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1pns n LYS 70 N -1.90 1.61 0.00 -0.41 5.02 -1.26 -1.42 118.16 119.80 1pns n LYS 70 Ca 0.01 -3.90 0.00 0.00 -2.02 0.00 0.00 58.31 52.40 1pns n LYS 70 Cb 0.04 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 1pns n LYS 70 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1pns n LEU 71 N 0.96 0.00 -0.24 -0.35 4.77 -1.25 -2.60 117.00 118.30 1pns n LEU 71 Ca 0.25 0.00 0.29 0.00 -0.03 0.00 0.00 56.01 56.53 1pns n LEU 71 Cb 0.49 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.28 1pns n LEU 71 CO 0.28 0.00 1.27 1.23 -1.33 0.00 0.00 177.39 178.84 1pns h GLY 72 N 0.00 0.17 1.17 -0.72 0.00 -1.86 0.60 103.07 102.43 1pns h GLY 72 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1pns h GLY 72 CO 0.00 -0.01 0.00 1.18 0.00 0.00 0.00 176.54 177.71 1pns n GLU 73 N -4.29 0.14 0.00 4.80 1.02 -1.07 -1.11 120.64 120.13 1pns n GLU 73 Ca 0.21 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1pns n GLU 73 Cb 1.03 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 1pns n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1pns n PHE 74 N -1.08 0.00 -3.63 -0.32 3.01 0.21 -4.87 117.46 110.77 1pns n PHE 74 Ca 0.04 -0.35 -0.29 0.00 1.01 0.00 0.00 57.45 57.85 1pns n PHE 74 Cb 0.03 -0.04 -0.12 0.00 -0.01 0.00 0.00 39.48 39.34 1pns n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pns s ALA 75 N -0.71 1.92 0.32 4.37 0.00 -0.27 -4.93 121.76 122.46 1pns s ALA 75 Ca 0.00 -2.51 -0.28 0.00 0.00 0.00 0.00 51.96 49.17 1pns s ALA 75 Cb 0.00 -1.81 -0.13 0.00 0.00 0.00 0.00 23.12 21.18 1pns s ALA 75 CO 0.00 -2.07 1.26 -0.35 0.00 0.00 0.00 175.76 174.60 1pns n PRO 76 N 3.46 2.01 -0.01 0.00 -0.04 -1.26 -4.82 135.00 134.34 1pns n PRO 76 Ca 0.13 0.70 -0.01 0.00 -0.04 0.00 0.00 63.50 64.28 1pns n PRO 76 Cb 0.37 -2.26 -0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1pns n PRO 76 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1pns h THR 77 N 2.51 0.00 -4.34 0.52 2.02 -1.91 -3.44 112.91 108.26 1pns h THR 77 Ca -0.45 -0.21 -0.51 0.00 0.77 0.00 0.00 66.41 66.01 1pns h THR 77 Cb 1.29 0.00 0.09 0.00 -1.74 0.00 0.00 68.15 67.79 1pns h THR 77 CO 0.63 0.00 0.37 -0.13 0.37 0.00 0.00 175.52 176.77 1pns s ARG 78 N -1.25 2.93 -0.17 6.66 0.52 -1.26 -4.98 118.95 121.40 1pns s ARG 78 Ca -0.03 0.87 0.01 0.00 -0.52 0.00 0.00 55.73 56.06 1pns s ARG 78 Cb 0.00 -2.00 0.01 0.00 0.52 0.00 0.00 34.95 33.49 1pns s ARG 78 CO 0.04 -1.08 -0.19 0.99 0.02 0.00 0.00 175.30 175.08 1pns s THR 79 N -3.09 2.25 0.10 0.02 2.01 -1.26 -5.12 115.64 110.55 1pns s THR 79 Ca 0.58 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.73 1pns s THR 79 Cb -0.14 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 1pns s THR 79 CO 0.55 0.53 -0.10 -0.47 -0.69 0.00 0.00 174.62 174.43 1pns s TYR 80 N 1.12 1.07 0.00 4.92 5.04 -1.26 -5.33 117.35 122.92 1pns s TYR 80 Ca 0.01 -0.66 0.00 0.00 -2.44 0.00 0.00 57.07 53.98 1pns s TYR 80 Cb -0.14 -0.59 0.00 0.00 0.35 0.00 0.00 41.96 41.58 1pns s TYR 80 CO -0.08 0.00 0.00 -2.13 -1.34 0.00 0.00 175.55 172.01