#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pmr n SER 2 N 0.00 -1.16 -3.58 -3.46 7.64 -1.25 -4.86 113.62 106.95 1pmr n SER 2 Ca 0.00 -0.58 -0.41 0.00 1.01 0.00 0.00 58.87 58.90 1pmr n SER 2 Cb 0.00 -0.13 -0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1pmr n SER 2 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1pmr n VAL 3 N -2.81 4.86 -2.76 0.44 0.31 -1.24 -4.85 118.33 112.29 1pmr n VAL 3 Ca 0.02 -4.17 -0.43 0.00 -0.01 0.00 0.00 64.34 59.75 1pmr n VAL 3 Cb 0.07 -2.22 -0.03 0.00 -0.91 0.00 0.00 33.84 30.76 1pmr n VAL 3 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1pmr s ASP 4 N 0.72 6.59 0.45 4.52 1.11 -1.26 -2.86 116.67 125.94 1pmr s ASP 4 Ca 0.51 -1.83 0.08 0.00 0.18 0.00 0.00 52.55 51.48 1pmr s ASP 4 Cb 0.16 -2.48 0.01 0.00 1.07 0.00 0.00 42.92 41.68 1pmr s ASP 4 CO -0.06 -1.24 0.52 0.27 1.18 0.00 0.00 175.17 175.83 1pmr s ILE 5 N 3.66 2.66 0.00 0.77 -0.00 -0.86 -4.95 121.20 122.48 1pmr s ILE 5 Ca 0.39 -1.16 0.00 0.00 -0.00 0.00 0.00 60.65 59.88 1pmr s ILE 5 Cb -0.02 -2.82 0.00 0.00 -0.00 0.00 0.00 42.46 39.61 1pmr s ILE 5 CO -0.09 0.00 0.00 0.18 -0.00 0.00 0.00 174.94 175.03 1pmr n LEU 6 N -1.79 0.00 -2.78 0.37 4.32 -1.25 0.73 117.00 116.59 1pmr n LEU 6 Ca 0.07 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.85 1pmr n LEU 6 Cb 0.61 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.40 1pmr n LEU 6 CO 0.40 0.00 0.01 0.52 -1.22 0.00 0.00 177.39 177.11 1pmr n VAL 7 N 0.00 1.66 0.97 4.08 0.31 0.96 -4.56 118.33 121.74 1pmr n VAL 7 Ca 0.00 -4.52 -0.00 0.00 -0.01 0.00 0.00 64.34 59.80 1pmr n VAL 7 Cb 0.00 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 1pmr n VAL 7 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1pmr n PRO 8 N -0.16 1.03 0.00 5.55 -0.04 -1.26 -1.86 135.00 138.26 1pmr n PRO 8 Ca 0.26 -0.05 0.04 0.00 -0.04 0.00 0.00 63.50 63.72 1pmr n PRO 8 Cb 0.64 -1.12 0.02 0.00 -0.04 0.00 0.00 33.50 33.00 1pmr n PRO 8 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pmr n ASP 9 N 0.38 1.42 -4.77 3.54 9.92 -1.26 -4.94 116.55 120.85 1pmr n ASP 9 Ca 0.01 -1.21 -0.40 0.00 -0.53 0.00 0.00 54.79 52.65 1pmr n ASP 9 Cb 0.47 0.25 -0.02 0.00 -0.64 0.00 0.00 41.12 41.17 1pmr n ASP 9 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1pmr s LEU 10 N -1.16 4.43 0.00 0.64 1.43 -1.22 -5.02 118.68 117.77 1pmr s LEU 10 Ca 0.09 2.61 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 1pmr s LEU 10 Cb 0.07 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1pmr s LEU 10 CO 0.17 -0.50 0.00 -0.81 0.23 0.00 0.00 176.35 175.44 1pmr n PRO 11 N 0.79 1.02 -0.81 1.29 -0.04 -1.26 -4.94 135.00 131.06 1pmr n PRO 11 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.49 1pmr n PRO 11 Cb 0.42 0.00 0.32 0.00 -0.04 0.00 0.00 33.50 34.21 1pmr n PRO 11 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1pmr n GLU 12 N 0.00 4.06 -3.07 0.54 4.71 -1.26 -4.40 120.64 121.21 1pmr n GLU 12 Ca 0.00 -2.69 -0.18 0.00 -0.01 0.00 0.00 57.16 54.28 1pmr n GLU 12 Cb 0.00 -2.14 -0.02 0.00 -1.01 0.00 0.00 31.44 28.26 1pmr n GLU 12 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1pmr n SER 13 N 0.35 1.52 -2.98 1.62 2.88 -1.26 -4.98 113.62 110.77 1pmr n SER 13 Ca 0.27 -3.09 -0.02 0.00 -1.33 0.00 0.00 58.87 54.71 1pmr n SER 13 Cb 1.12 -0.60 -0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1pmr n SER 13 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pmr s VAL 14 N -2.88 -0.98 0.60 2.46 0.11 -1.26 -4.75 120.40 113.69 1pmr s VAL 14 Ca 0.40 -0.56 0.30 0.00 -2.93 0.00 0.00 61.98 59.19 1pmr s VAL 14 Cb 0.36 -0.02 0.44 0.00 -1.53 0.00 0.00 36.38 35.62 1pmr s VAL 14 CO -0.08 -0.02 1.49 0.00 -3.33 0.00 0.00 175.10 173.16 1pmr h ALA 15 N 5.94 2.92 -1.12 1.54 0.00 -1.95 -3.42 119.26 123.16 1pmr h ALA 15 Ca 0.06 -0.04 0.31 0.00 0.00 0.00 0.00 54.91 55.24 1pmr h ALA 15 Cb 1.14 0.08 -0.21 0.00 0.00 0.00 0.00 17.79 18.79 1pmr h ALA 15 CO 0.06 -1.60 0.95 0.16 0.00 0.00 0.00 179.25 178.82 1pmr s ASP 16 N -3.96 -0.04 0.00 0.00 1.47 -1.26 -4.93 116.67 107.96 1pmr s ASP 16 Ca -0.03 0.01 0.00 0.00 1.18 0.00 0.00 52.55 53.70 1pmr s ASP 16 Cb 0.16 0.04 0.00 0.00 -0.34 0.00 0.00 42.92 42.78 1pmr s ASP 16 CO 0.55 -0.06 0.00 0.00 0.68 0.00 0.00 175.17 176.34 1pmr n ALA 17 N 0.04 0.00 -3.61 2.11 0.00 -0.48 -4.81 120.51 113.76 1pmr n ALA 17 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 1pmr n ALA 17 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 1pmr n ALA 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pmr s THR 18 N 0.24 -0.00 -0.89 0.00 2.01 -0.81 -2.46 115.64 113.73 1pmr s THR 18 Ca 0.00 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.76 1pmr s THR 18 Cb 0.00 -0.97 -0.01 0.00 0.01 0.00 0.00 72.50 71.53 1pmr s THR 18 CO 0.00 0.00 1.76 -0.69 -0.69 0.00 0.00 174.62 175.00 1pmr s VAL 19 N 0.40 3.58 0.07 3.82 1.01 -1.16 0.18 120.40 128.30 1pmr s VAL 19 Ca -0.00 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 1pmr s VAL 19 Cb -0.05 -4.34 -0.11 0.00 0.00 0.00 0.00 36.38 31.88 1pmr s VAL 19 CO 0.00 -1.27 1.40 0.00 0.00 0.00 0.00 175.10 175.23 1pmr h ALA 20 N 11.25 -0.94 -1.86 5.51 0.00 -0.03 1.01 119.26 134.19 1pmr h ALA 20 Ca 0.06 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1pmr h ALA 20 Cb 1.03 0.70 -0.21 0.00 0.00 0.00 0.00 17.79 19.31 1pmr h ALA 20 CO 1.28 -1.01 -0.03 0.99 0.00 0.00 0.00 179.25 180.48 1pmr s THR 21 N -4.99 -0.67 0.00 0.00 2.01 -1.09 -4.31 115.64 106.59 1pmr s THR 21 Ca -0.12 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1pmr s THR 21 Cb 0.04 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.55 1pmr s THR 21 CO 0.43 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 175.15 1pmr n TRP 22 N 5.06 -1.82 -2.31 4.92 7.02 -1.26 -2.63 117.44 126.41 1pmr n TRP 22 Ca -0.14 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.33 1pmr n TRP 22 Cb 0.52 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.40 1pmr n TRP 22 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1pmr n HIS 23 N -1.72 -0.06 -4.70 -5.99 8.25 -1.26 -4.83 115.22 104.91 1pmr n HIS 23 Ca 0.00 -0.70 -0.31 0.00 -0.26 0.00 0.00 57.72 56.45 1pmr n HIS 23 Cb 0.00 0.25 -0.08 0.00 1.12 0.00 0.00 29.99 31.28 1pmr n HIS 23 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1pmr s LYS 24 N -0.25 2.12 0.32 -0.41 1.02 -1.26 -4.72 119.74 116.57 1pmr s LYS 24 Ca 0.17 -2.34 0.04 0.00 0.02 0.00 0.00 55.97 53.86 1pmr s LYS 24 Cb 0.22 -1.34 -0.01 0.00 -0.52 0.00 0.00 37.83 36.18 1pmr s LYS 24 CO -0.08 -0.37 0.13 1.63 -0.92 0.00 0.00 175.35 175.74 1pmr n LYS 25 N -1.17 0.60 -2.03 1.68 4.76 -1.26 -5.02 118.16 115.72 1pmr n LYS 25 Ca -0.16 -2.74 -0.27 0.00 -2.87 0.00 0.00 58.31 52.28 1pmr n LYS 25 Cb 0.67 1.60 -0.06 0.00 -1.84 0.00 0.00 35.03 35.40 1pmr n LYS 25 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1pmr s PRO 26 N -3.22 2.47 0.00 1.97 0.04 -1.26 -3.01 135.00 131.99 1pmr s PRO 26 Ca 0.19 -0.61 0.00 0.00 0.04 0.00 0.00 61.00 60.62 1pmr s PRO 26 Cb 0.01 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.43 1pmr s PRO 26 CO 0.13 -3.70 0.00 0.41 0.04 0.00 0.00 177.00 173.88 1pmr n GLY 27 N 6.43 0.59 0.00 0.56 0.00 -0.78 -4.79 105.19 107.21 1pmr n GLY 27 Ca 0.42 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1pmr n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pmr n ASP 28 N -0.24 0.00 -2.99 1.61 8.00 -1.16 -4.59 116.55 117.17 1pmr n ASP 28 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.50 1pmr n ASP 28 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1pmr n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pmr s ALA 29 N -2.28 -2.75 0.52 2.24 0.00 -1.26 -3.60 121.76 114.63 1pmr s ALA 29 Ca 0.00 0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.22 1pmr s ALA 29 Cb 0.00 -2.79 0.03 0.00 0.00 0.00 0.00 23.12 20.36 1pmr s ALA 29 CO 0.00 -2.29 0.73 0.54 0.00 0.00 0.00 175.76 174.74 1pmr s VAL 30 N 1.55 2.72 0.17 0.00 0.11 0.89 -4.96 120.40 120.89 1pmr s VAL 30 Ca 0.20 -0.76 0.00 0.00 -2.93 0.00 0.00 61.98 58.49 1pmr s VAL 30 Cb -0.01 -2.97 0.00 0.00 -1.53 0.00 0.00 36.38 31.88 1pmr s VAL 30 CO -0.08 0.00 0.00 0.55 -3.33 0.00 0.00 175.10 172.24 1pmr n VAL 31 N -2.23 0.27 -3.16 2.04 3.14 -1.26 -2.66 118.33 114.47 1pmr n VAL 31 Ca 0.08 0.09 -0.20 0.00 -2.96 0.00 0.00 64.34 61.36 1pmr n VAL 31 Cb 0.60 -0.83 -0.04 0.00 -1.06 0.00 0.00 33.84 32.51 1pmr n VAL 31 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1pmr n ARG 32 N -3.25 0.87 0.00 1.45 1.74 -1.25 -3.64 116.66 112.57 1pmr n ARG 32 Ca 0.00 -3.23 0.00 0.00 -0.77 0.00 0.00 57.85 53.85 1pmr n ARG 32 Cb 0.04 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1pmr n ARG 32 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1pmr n ASP 33 N 0.76 0.00 -4.97 0.55 8.00 -1.25 -4.91 116.55 114.73 1pmr n ASP 33 Ca 0.22 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.51 1pmr n ASP 33 Cb 0.61 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.73 1pmr n ASP 33 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1pmr s GLU 34 N 0.00 2.78 0.46 -1.24 2.12 -0.69 -4.87 118.70 117.25 1pmr s GLU 34 Ca 0.00 -0.72 -0.10 0.00 0.36 0.00 0.00 54.97 54.51 1pmr s GLU 34 Cb 0.00 -2.55 -0.08 0.00 0.26 0.00 0.00 34.13 31.76 1pmr s GLU 34 CO 0.00 -0.48 -0.32 1.55 -0.54 0.00 0.00 175.26 175.47 1pmr n VAL 35 N -2.18 0.00 -3.19 3.70 3.14 -1.26 -3.02 118.33 115.53 1pmr n VAL 35 Ca 0.05 -0.28 -0.21 0.00 -2.96 0.00 0.00 64.34 60.94 1pmr n VAL 35 Cb 0.59 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.32 1pmr n VAL 35 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pmr n LEU 36 N 1.76 0.90 -3.57 6.55 -0.00 -1.25 -2.35 117.00 119.03 1pmr n LEU 36 Ca 0.01 -4.94 -0.34 0.00 -0.00 0.00 0.00 56.01 50.75 1pmr n LEU 36 Cb 0.29 0.55 0.03 0.00 -0.00 0.00 0.00 43.42 44.30 1pmr n LEU 36 CO 0.30 2.19 -1.63 0.55 -0.00 0.00 0.00 177.39 178.80 1pmr n VAL 37 N 0.74 0.00 -3.81 1.47 3.14 -1.26 -4.12 118.33 114.50 1pmr n VAL 37 Ca 0.24 -0.18 -0.30 0.00 -2.96 0.00 0.00 64.34 61.14 1pmr n VAL 37 Cb 0.58 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.21 1pmr n VAL 37 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1pmr s GLU 38 N -1.79 1.01 0.00 1.45 0.41 -1.08 -3.09 118.70 115.61 1pmr s GLU 38 Ca 0.34 -1.43 0.00 0.00 -0.41 0.00 0.00 54.97 53.46 1pmr s GLU 38 Cb -0.01 -2.37 0.00 0.00 -1.78 0.00 0.00 34.13 29.97 1pmr s GLU 38 CO 0.65 -1.00 0.00 1.51 -0.49 0.00 0.00 175.26 175.93 1pmr n ILE 39 N 4.49 0.00 -3.72 -1.63 0.13 -0.64 0.60 119.36 118.59 1pmr n ILE 39 Ca 0.01 0.00 -0.25 0.00 -1.10 0.00 0.00 62.75 61.41 1pmr n ILE 39 Cb 0.41 -1.98 -0.17 0.00 -0.84 0.00 0.00 39.64 37.06 1pmr n ILE 39 CO 0.00 0.00 0.00 -1.61 2.80 0.00 0.00 176.55 177.74 1pmr s GLU 40 N -2.44 0.44 0.00 9.51 2.02 0.46 -4.32 118.70 124.37 1pmr s GLU 40 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 54.91 1pmr s GLU 40 Cb 0.00 -1.48 0.00 0.00 0.10 0.00 0.00 34.13 32.75 1pmr s GLU 40 CO 0.00 -0.50 0.00 2.41 0.02 0.00 0.00 175.26 177.19 1pmr n THR 41 N 5.16 0.00 -3.42 3.63 -1.04 -1.16 -1.92 114.28 115.52 1pmr n THR 41 Ca -0.07 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.72 1pmr n THR 41 Cb 0.49 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.89 1pmr n THR 41 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1pmr s ASP 42 N -0.37 2.08 0.00 8.00 -1.08 -1.26 -4.85 116.67 119.19 1pmr s ASP 42 Ca 0.00 -1.37 0.00 0.00 -0.52 0.00 0.00 52.55 50.66 1pmr s ASP 42 Cb 0.00 0.21 0.00 0.00 -1.46 0.00 0.00 42.92 41.67 1pmr s ASP 42 CO 0.00 -0.34 0.00 1.17 0.52 0.00 0.00 175.17 176.52 1pmr n LYS 43 N 4.73 0.00 -3.89 4.34 4.81 -1.26 -4.95 118.16 121.95 1pmr n LYS 43 Ca 0.04 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.24 1pmr n LYS 43 Cb 0.43 -0.14 -0.04 0.00 0.02 0.00 0.00 35.03 35.30 1pmr n LYS 43 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1pmr n VAL 44 N -0.40 0.00 -3.66 3.15 0.31 -1.26 -5.15 118.33 111.32 1pmr n VAL 44 Ca 0.00 -1.74 -0.12 0.00 -0.01 0.00 0.00 64.34 62.47 1pmr n VAL 44 Cb 0.00 0.30 -0.12 0.00 -0.91 0.00 0.00 33.84 33.11 1pmr n VAL 44 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1pmr s VAL 45 N -2.31 -0.48 0.62 2.52 1.01 -1.26 -2.99 120.40 117.51 1pmr s VAL 45 Ca 0.02 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 1pmr s VAL 45 Cb -0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1pmr s VAL 45 CO 0.01 0.10 1.03 -0.76 0.00 0.00 0.00 175.10 175.48 1pmr s LEU 46 N 2.44 3.26 0.00 3.92 1.43 -1.26 -4.82 118.68 123.64 1pmr s LEU 46 Ca -0.00 1.46 0.01 0.00 -1.03 0.00 0.00 54.13 54.56 1pmr s LEU 46 Cb -0.12 -4.48 -0.00 0.00 0.03 0.00 0.00 46.19 41.62 1pmr s LEU 46 CO -0.10 -0.91 0.02 -0.62 0.23 0.00 0.00 176.35 174.97 1pmr n GLU 47 N -2.68 1.27 -2.99 1.70 1.02 -1.26 -1.63 120.64 116.08 1pmr n GLU 47 Ca 0.06 -1.30 -0.16 0.00 -0.02 0.00 0.00 57.16 55.74 1pmr n GLU 47 Cb 0.54 0.48 -0.00 0.00 -0.02 0.00 0.00 31.44 32.44 1pmr n GLU 47 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1pmr n VAL 48 N -0.41 -0.29 -2.39 2.62 3.14 -1.18 -4.84 118.33 114.99 1pmr n VAL 48 Ca -0.05 -3.01 -0.43 0.00 -2.96 0.00 0.00 64.34 57.88 1pmr n VAL 48 Cb 0.23 -0.09 -0.02 0.00 -1.06 0.00 0.00 33.84 32.89 1pmr n VAL 48 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1pmr s PRO 49 N -0.66 3.95 0.53 1.45 0.04 -1.18 -3.74 135.00 135.39 1pmr s PRO 49 Ca 0.33 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 1pmr s PRO 49 Cb 0.24 -3.88 0.11 0.00 0.04 0.00 0.00 34.50 31.01 1pmr s PRO 49 CO -0.14 -1.08 0.73 0.00 0.04 0.00 0.00 177.00 176.56 1pmr n ALA 50 N 7.56 0.09 -1.59 8.56 0.00 -0.99 -4.88 120.51 129.26 1pmr n ALA 50 Ca 0.15 -1.41 0.05 0.00 0.00 0.00 0.00 53.44 52.23 1pmr n ALA 50 Cb 0.46 0.22 0.08 0.00 0.00 0.00 0.00 19.45 20.21 1pmr n ALA 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1pmr n SER 51 N -2.96 1.23 0.00 0.00 3.41 -1.26 -1.70 113.62 112.34 1pmr n SER 51 Ca 0.12 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.11 1pmr n SER 51 Cb 0.43 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1pmr n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pmr n ALA 52 N -0.69 0.00 -0.21 7.33 0.00 -1.24 -3.87 120.51 121.83 1pmr n ALA 52 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1pmr n ALA 52 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.15 1pmr n ALA 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pmr n ASP 53 N 0.00 0.00 0.00 0.00 8.00 -1.09 -4.79 116.55 118.68 1pmr n ASP 53 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1pmr n ASP 53 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1pmr n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pmr n GLY 54 N 0.00 2.29 3.52 0.44 0.00 -1.26 -0.07 105.19 110.10 1pmr n GLY 54 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1pmr n GLY 54 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pmr n ILE 55 N -0.30 -0.02 -1.49 -0.61 5.41 -1.24 -3.84 119.36 117.29 1pmr n ILE 55 Ca 0.00 -0.37 -0.48 0.00 1.00 0.00 0.00 62.75 62.90 1pmr n ILE 55 Cb 0.00 -0.99 -0.06 0.00 -0.71 0.00 0.00 39.64 37.87 1pmr n ILE 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1pmr n LEU 56 N 11.24 2.37 -0.03 1.39 7.94 -1.21 -2.95 117.00 135.75 1pmr n LEU 56 Ca 0.59 0.32 -0.07 0.00 -1.11 0.00 0.00 56.01 55.73 1pmr n LEU 56 Cb 0.22 -1.34 -0.02 0.00 0.53 0.00 0.00 43.42 42.80 1pmr n LEU 56 CO 0.89 -0.76 -0.58 -0.67 -1.11 0.00 0.00 177.39 175.16 1pmr n ASP 57 N 10.56 0.92 -3.56 1.96 2.03 -0.96 -1.86 116.55 125.64 1pmr n ASP 57 Ca 0.39 0.15 -0.27 0.00 0.52 0.00 0.00 54.79 55.57 1pmr n ASP 57 Cb 0.29 -0.34 -0.11 0.00 -0.72 0.00 0.00 41.12 40.24 1pmr n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pmr n ALA 58 N -3.56 3.07 -2.61 -1.67 0.00 -0.42 -5.03 120.51 110.28 1pmr n ALA 58 Ca -0.13 -3.64 -0.42 0.00 0.00 0.00 0.00 53.44 49.25 1pmr n ALA 58 Cb 0.45 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 1pmr n ALA 58 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pmr s VAL 59 N -0.57 4.05 -1.84 0.00 1.01 -1.26 -1.37 120.40 120.43 1pmr s VAL 59 Ca 0.30 -1.08 0.17 0.00 0.00 0.00 0.00 61.98 61.37 1pmr s VAL 59 Cb 0.02 -5.06 0.43 0.00 0.00 0.00 0.00 36.38 31.77 1pmr s VAL 59 CO -0.18 -1.91 1.44 0.18 0.00 0.00 0.00 175.10 174.63 1pmr n LEU 60 N 8.52 0.00 -2.73 3.92 4.77 -0.96 -3.04 117.00 127.48 1pmr n LEU 60 Ca 0.35 0.08 -0.16 0.00 -0.03 0.00 0.00 56.01 56.25 1pmr n LEU 60 Cb 0.50 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.52 1pmr n LEU 60 CO 0.66 -0.04 -0.05 -0.62 -1.33 0.00 0.00 177.39 176.02 1pmr n GLU 61 N -1.08 1.78 -1.53 3.23 1.02 0.25 -4.91 120.64 119.40 1pmr n GLU 61 Ca 0.11 -3.68 -0.55 0.00 -0.02 0.00 0.00 57.16 53.03 1pmr n GLU 61 Cb 0.08 -1.62 -0.06 0.00 -0.02 0.00 0.00 31.44 29.81 1pmr n GLU 61 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pmr n ASP 62 N -0.11 0.53 -3.48 1.62 9.92 -1.17 -4.54 116.55 119.32 1pmr n ASP 62 Ca 0.20 1.14 -0.49 0.00 -0.53 0.00 0.00 54.79 55.11 1pmr n ASP 62 Cb 0.72 -1.04 -0.09 0.00 -0.64 0.00 0.00 41.12 40.07 1pmr n ASP 62 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1pmr n GLU 63 N 1.77 0.00 0.00 -1.24 0.28 -1.26 -1.89 120.64 118.30 1pmr n GLU 63 Ca 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.19 1pmr n GLU 63 Cb 0.15 -1.21 0.00 0.00 1.43 0.00 0.00 31.44 31.81 1pmr n GLU 63 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pmr n GLY 64 N 5.65 0.68 3.94 -1.84 0.00 0.35 -4.87 105.19 109.09 1pmr n GLY 64 Ca 0.42 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.23 1pmr n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pmr s THR 65 N -1.51 4.57 0.50 2.61 2.01 -0.79 -4.89 115.64 118.14 1pmr s THR 65 Ca 0.00 -1.11 -0.19 0.00 0.31 0.00 0.00 61.69 60.70 1pmr s THR 65 Cb 0.00 -3.57 -0.08 0.00 0.01 0.00 0.00 72.50 68.86 1pmr s THR 65 CO 0.00 -0.27 1.02 -0.89 -0.69 0.00 0.00 174.62 173.80 1pmr s THR 66 N -2.10 3.98 0.28 -0.82 2.01 -1.26 -2.98 115.64 114.75 1pmr s THR 66 Ca 0.38 1.13 -0.10 0.00 0.31 0.00 0.00 61.69 63.41 1pmr s THR 66 Cb -0.09 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.93 1pmr s THR 66 CO 0.29 -0.37 0.49 0.54 -0.69 0.00 0.00 174.62 174.88 1pmr s VAL 67 N -2.20 0.00 0.00 3.82 0.11 -1.03 -4.89 120.40 116.21 1pmr s VAL 67 Ca 0.65 -1.45 0.00 0.00 -2.93 0.00 0.00 61.98 58.24 1pmr s VAL 67 Cb -0.14 -2.39 0.00 0.00 -1.53 0.00 0.00 36.38 32.31 1pmr s VAL 67 CO 0.24 0.00 0.00 1.07 -3.33 0.00 0.00 175.10 173.08 1pmr n THR 68 N -0.44 0.00 -2.15 5.04 5.66 -1.26 -1.38 114.28 119.75 1pmr n THR 68 Ca -0.01 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.58 1pmr n THR 68 Cb 0.62 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.40 1pmr n THR 68 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1pmr n SER 69 N 0.00 6.95 0.00 1.09 3.41 -1.25 -3.78 113.62 120.04 1pmr n SER 69 Ca 0.00 -3.14 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 1pmr n SER 69 Cb 0.00 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 62.55 1pmr n SER 69 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1pmr n ARG 70 N 2.44 0.00 -1.57 4.33 0.63 -0.78 -4.45 116.66 117.26 1pmr n ARG 70 Ca 0.53 0.00 -0.46 0.00 -0.92 0.00 0.00 57.85 57.00 1pmr n ARG 70 Cb 0.29 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.18 1pmr n ARG 70 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1pmr n GLN 71 N 0.00 1.20 -2.96 -0.14 1.13 -1.25 -3.99 117.38 111.37 1pmr n GLN 71 Ca 0.00 0.42 -0.42 0.00 -1.94 0.00 0.00 57.00 55.06 1pmr n GLN 71 Cb 0.00 -1.80 -0.05 0.00 0.11 0.00 0.00 30.24 28.50 1pmr n GLN 71 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 1pmr s ILE 72 N -0.81 4.74 0.32 5.09 2.07 -1.26 -0.03 121.20 131.32 1pmr s ILE 72 Ca 0.63 0.87 0.09 0.00 -1.41 0.00 0.00 60.65 60.83 1pmr s ILE 72 Cb -0.76 -4.21 0.32 0.00 0.13 0.00 0.00 42.46 37.94 1pmr s ILE 72 CO 0.57 -0.43 1.75 -0.07 -1.91 0.00 0.00 174.94 174.85 1pmr h LEU 73 N 9.73 0.69 0.00 8.50 3.38 0.06 -3.40 115.31 134.26 1pmr h LEU 73 Ca -0.25 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1pmr h LEU 73 Cb 1.09 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1pmr h LEU 73 CO 0.91 0.15 0.00 0.61 0.09 0.00 0.00 178.44 180.20 1pmr n GLY 74 N -1.33 -0.03 3.38 0.83 0.00 -1.19 0.88 105.19 107.73 1pmr n GLY 74 Ca 0.26 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 1pmr n GLY 74 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pmr s ARG 75 N -1.74 2.19 0.00 1.61 1.70 -0.47 -2.03 118.95 120.21 1pmr s ARG 75 Ca 0.00 -0.88 0.00 0.00 -0.47 0.00 0.00 55.73 54.38 1pmr s ARG 75 Cb 0.00 -2.15 0.00 0.00 -0.57 0.00 0.00 34.95 32.23 1pmr s ARG 75 CO 0.00 0.57 0.00 1.28 -1.08 0.00 0.00 175.30 176.07 1pmr n LEU 76 N 2.24 0.00 -3.83 -1.89 7.99 -1.14 -1.31 117.00 119.07 1pmr n LEU 76 Ca -0.16 0.00 -0.07 0.00 -0.01 0.00 0.00 56.01 55.77 1pmr n LEU 76 Cb 0.52 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 1pmr n LEU 76 CO 0.24 0.00 0.55 -0.60 -1.51 0.00 0.00 177.39 176.07 1pmr s ARG 77 N 0.10 1.88 -0.30 3.23 3.52 -1.15 -2.27 118.95 123.95 1pmr s ARG 77 Ca 0.00 -1.13 -0.17 0.00 -0.13 0.00 0.00 55.73 54.30 1pmr s ARG 77 Cb 0.00 0.58 0.18 0.00 -1.56 0.00 0.00 34.95 34.15 1pmr s ARG 77 CO 0.00 -0.87 1.14 -2.00 -0.81 0.00 0.00 175.30 172.76 1pmr s GLU 78 N -3.02 0.17 0.53 5.12 2.56 -1.26 -3.66 118.70 119.13 1pmr s GLU 78 Ca 0.14 0.36 0.00 0.00 0.00 0.00 0.00 54.97 55.47 1pmr s GLU 78 Cb -0.05 0.14 0.00 0.00 2.00 0.00 0.00 34.13 36.22 1pmr s GLU 78 CO 0.08 -0.05 0.00 0.41 -0.56 0.00 0.00 175.26 175.15 1pmr n GLY 79 N 4.07 0.50 0.00 -1.50 0.00 -1.26 -4.92 105.19 102.07 1pmr n GLY 79 Ca -0.13 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1pmr n GLY 79 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48