#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pmr s SER 2 N 0.00 -0.30 -1.29 6.43 0.01 -1.14 -4.26 113.70 113.15 1pmr s SER 2 Ca 0.00 0.17 -0.18 0.00 1.31 0.00 0.00 55.95 57.25 1pmr s SER 2 Cb 0.00 0.28 0.03 0.00 0.21 0.00 0.00 66.02 66.54 1pmr s SER 2 CO 0.00 -0.39 1.89 0.52 0.41 0.00 0.00 173.24 175.67 1pmr n VAL 3 N 0.24 3.42 -2.71 3.43 0.31 -1.26 -4.68 118.33 117.07 1pmr n VAL 3 Ca -0.07 -3.40 -0.43 0.00 -0.01 0.00 0.00 64.34 60.43 1pmr n VAL 3 Cb 0.59 -2.38 -0.01 0.00 -0.91 0.00 0.00 33.84 31.13 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 4.36 6.77 0.40 4.52 1.11 -1.26 -2.44 116.67 130.14 1pmr s ASP 4 Ca 0.55 -2.26 -0.05 0.00 0.18 0.00 0.00 52.55 50.97 1pmr s ASP 4 Cb 0.06 -2.51 -0.04 0.00 1.07 0.00 0.00 42.92 41.50 1pmr s ASP 4 CO 0.05 -1.15 0.69 -0.51 1.18 0.00 0.00 175.17 175.44 1pmr s ILE 5 N 3.59 4.95 0.00 0.77 1.10 -1.09 -4.96 121.20 125.56 1pmr s ILE 5 Ca 0.46 0.11 0.00 0.00 -0.51 0.00 0.00 60.65 60.71 1pmr s ILE 5 Cb 0.00 -3.82 0.00 0.00 0.15 0.00 0.00 42.46 38.80 1pmr s ILE 5 CO -0.01 -0.63 0.00 0.18 -2.11 0.00 0.00 174.94 172.37 1pmr n LEU 6 N -1.74 0.00 -3.02 8.50 4.32 -1.26 -0.86 117.00 122.94 1pmr n LEU 6 Ca -0.01 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.82 1pmr n LEU 6 Cb 0.55 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.33 1pmr n LEU 6 CO 0.50 0.00 -0.17 0.52 -1.22 0.00 0.00 177.39 177.03 1pmr n VAL 7 N 0.00 0.39 -0.88 4.08 0.31 -1.15 -4.60 118.33 116.49 1pmr n VAL 7 Ca 0.00 -4.28 -0.09 0.00 -0.01 0.00 0.00 64.34 59.96 1pmr n VAL 7 Cb 0.00 -0.13 -0.13 0.00 -0.91 0.00 0.00 33.84 32.68 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 0.14 1.75 0.00 5.55 -0.04 -1.22 -2.30 135.00 138.88 1pmr n PRO 8 Ca 0.22 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 1pmr n PRO 8 Cb 0.68 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 2.26 0.91 -4.74 3.54 8.00 -1.26 -4.85 116.55 120.40 1pmr n ASP 9 Ca 0.32 -0.95 -0.40 0.00 0.71 0.00 0.00 54.79 54.47 1pmr n ASP 9 Cb 0.81 0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.97 1pmr n ASP 9 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pmr s LEU 10 N -0.22 4.41 -0.11 0.64 1.02 -1.25 -4.98 118.68 118.18 1pmr s LEU 10 Ca 0.00 1.31 -0.19 0.00 0.02 0.00 0.00 54.13 55.27 1pmr s LEU 10 Cb 0.00 -3.12 -0.17 0.00 0.02 0.00 0.00 46.19 42.93 1pmr s LEU 10 CO 0.00 0.00 0.56 1.55 0.02 0.00 0.00 176.35 178.49 1pmr h PRO 11 N 5.93 -0.03 -6.10 1.29 0.13 -1.97 -3.47 132.00 127.78 1pmr h PRO 11 Ca -0.44 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.45 1pmr h PRO 11 Cb 1.20 0.01 0.14 0.00 0.13 0.00 0.00 31.00 32.48 1pmr h PRO 11 CO 0.72 0.59 -0.40 0.39 -0.23 0.00 0.00 178.00 179.06 1pmr n GLU 12 N -4.71 -2.20 0.02 0.86 4.71 -1.26 -4.86 120.64 113.20 1pmr n GLU 12 Ca -0.07 -0.65 0.12 0.00 -0.01 0.00 0.00 57.16 56.56 1pmr n GLU 12 Cb 0.30 -1.49 0.26 0.00 -1.01 0.00 0.00 31.44 29.51 1pmr n GLU 12 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1pmr n SER 13 N -1.26 0.50 -2.68 1.62 7.64 -1.26 -4.54 113.62 113.65 1pmr n SER 13 Ca 0.05 -0.09 -0.05 0.00 1.01 0.00 0.00 58.87 59.80 1pmr n SER 13 Cb 0.39 0.16 0.07 0.00 -1.01 0.00 0.00 64.21 63.82 1pmr n SER 13 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1pmr n VAL 14 N -1.66 0.00 0.26 0.44 3.14 -1.26 -4.80 118.33 114.45 1pmr n VAL 14 Ca 0.05 -1.00 0.05 0.00 -2.96 0.00 0.00 64.34 60.48 1pmr n VAL 14 Cb 0.36 0.97 0.24 0.00 -1.06 0.00 0.00 33.84 34.35 1pmr n VAL 14 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pmr n ALA 15 N -0.12 1.34 -1.27 1.55 0.00 -1.26 -4.96 120.51 115.79 1pmr n ALA 15 Ca -0.10 0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.49 1pmr n ALA 15 Cb 0.73 -1.17 -0.07 0.00 0.00 0.00 0.00 19.45 18.94 1pmr n ALA 15 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pmr n ASP 16 N -1.66 -6.51 -3.21 0.00 8.00 -1.26 -4.66 116.55 107.24 1pmr n ASP 16 Ca 0.01 1.08 -0.05 0.00 0.71 0.00 0.00 54.79 56.55 1pmr n ASP 16 Cb 0.10 -4.26 0.02 0.00 -0.02 0.00 0.00 41.12 36.96 1pmr n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pmr s ALA 17 N -4.12 -1.38 -0.04 2.24 0.00 -0.12 -4.42 121.76 113.91 1pmr s ALA 17 Ca 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1pmr s ALA 17 Cb 0.00 0.75 0.02 0.00 0.00 0.00 0.00 23.12 23.90 1pmr s ALA 17 CO 0.00 -1.05 -0.04 0.99 0.00 0.00 0.00 175.76 175.67 1pmr s THR 18 N -2.09 0.49 -0.58 0.00 2.01 -0.38 -2.93 115.64 112.15 1pmr s THR 18 Ca 0.21 -0.09 -0.28 0.00 0.31 0.00 0.00 61.69 61.85 1pmr s THR 18 Cb -0.03 -0.53 0.01 0.00 0.01 0.00 0.00 72.50 71.95 1pmr s THR 18 CO 0.07 0.22 1.47 -0.69 -0.69 0.00 0.00 174.62 175.00 1pmr s VAL 19 N 0.98 3.71 0.02 3.82 1.01 -1.16 0.23 120.40 129.00 1pmr s VAL 19 Ca -0.10 0.57 -0.22 0.00 0.00 0.00 0.00 61.98 62.22 1pmr s VAL 19 Cb -0.14 -4.40 -0.12 0.00 0.00 0.00 0.00 36.38 31.71 1pmr s VAL 19 CO -0.00 -1.19 1.08 0.00 0.00 0.00 0.00 175.10 174.99 1pmr h ALA 20 N 11.52 -0.97 -1.57 5.51 0.00 -0.39 0.22 119.26 133.59 1pmr h ALA 20 Ca -0.27 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.56 1pmr h ALA 20 Cb 1.10 0.31 -0.27 0.00 0.00 0.00 0.00 17.79 18.93 1pmr h ALA 20 CO 1.19 -0.91 0.39 0.99 0.00 0.00 0.00 179.25 180.91 1pmr s THR 21 N -4.36 0.00 0.00 0.00 2.01 -1.14 -4.23 115.64 107.91 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 0.01 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1pmr s THR 21 CO 0.35 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 175.07 1pmr n TRP 22 N 3.39 -2.61 -2.28 4.92 7.02 -1.26 -2.68 117.44 123.93 1pmr n TRP 22 Ca -0.17 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.29 1pmr n TRP 22 Cb 0.57 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.45 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 -2.30 -0.05 -4.44 -5.99 8.25 -1.26 -4.85 115.22 104.57 1pmr n HIS 23 Ca 0.00 -0.64 -0.31 0.00 -0.26 0.00 0.00 57.72 56.51 1pmr n HIS 23 Cb 0.00 0.26 -0.16 0.00 1.12 0.00 0.00 29.99 31.20 1pmr n HIS 23 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1pmr s LYS 24 N -0.16 2.65 1.01 -0.41 2.47 -1.26 -4.84 119.74 119.19 1pmr s LYS 24 Ca 0.16 -0.71 -0.17 0.00 -1.56 0.00 0.00 55.97 53.68 1pmr s LYS 24 Cb 0.20 -2.22 0.24 0.00 -1.46 0.00 0.00 37.83 34.59 1pmr s LYS 24 CO -0.08 -0.09 1.09 1.17 0.16 0.00 0.00 175.35 177.61 1pmr n LYS 25 N 4.28 -2.12 -1.97 4.03 3.00 -1.26 -4.84 118.16 119.29 1pmr n LYS 25 Ca -0.19 -1.71 -0.25 0.00 -0.00 0.00 0.00 58.31 56.15 1pmr n LYS 25 Cb 0.51 -1.37 -0.05 0.00 0.00 0.00 0.00 35.03 34.12 1pmr n LYS 25 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1pmr s PRO 26 N -5.43 2.40 -0.22 1.64 0.04 -1.26 -3.05 135.00 129.12 1pmr s PRO 26 Ca 0.66 -0.11 -0.01 0.00 0.04 0.00 0.00 61.00 61.58 1pmr s PRO 26 Cb -0.04 -4.98 0.00 0.00 0.04 0.00 0.00 34.50 29.51 1pmr s PRO 26 CO 0.49 -3.52 0.19 0.41 0.04 0.00 0.00 177.00 174.61 1pmr n GLY 27 N 6.79 0.45 0.00 0.56 0.00 -0.77 -4.79 105.19 107.43 1pmr n GLY 27 Ca 0.40 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.59 0.00 0.00 1.61 9.92 -1.17 -4.60 116.55 121.72 1pmr n ASP 28 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1pmr n ASP 28 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 1pmr n ASP 28 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pmr n ALA 29 N -3.00 0.00 -3.09 2.24 0.00 -1.26 -4.50 120.51 110.90 1pmr n ALA 29 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1pmr n ALA 29 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1pmr n ALA 29 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1pmr n VAL 30 N 0.00 0.00 0.00 0.00 3.14 0.13 -4.93 118.33 116.67 1pmr n VAL 30 Ca 0.00 -1.07 0.00 0.00 -2.96 0.00 0.00 64.34 60.31 1pmr n VAL 30 Cb 0.00 -0.69 0.00 0.00 -1.06 0.00 0.00 33.84 32.09 1pmr n VAL 30 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1pmr n VAL 31 N -1.64 0.00 -3.01 1.55 3.14 -1.26 -2.49 118.33 114.62 1pmr n VAL 31 Ca 0.08 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.19 1pmr n VAL 31 Cb 0.33 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.06 1pmr n VAL 31 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1pmr n ARG 32 N -2.00 3.16 0.00 1.45 3.00 -1.26 -3.26 116.66 117.74 1pmr n ARG 32 Ca 0.00 -4.84 0.00 0.00 -0.00 0.00 0.00 57.85 53.01 1pmr n ARG 32 Cb 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 32.46 30.21 1pmr n ARG 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1pmr n ASP 33 N -0.08 0.00 -2.32 6.15 8.00 -1.26 -4.93 116.55 122.11 1pmr n ASP 33 Ca 0.31 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1pmr n ASP 33 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1pmr n ASP 33 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1pmr n GLU 34 N 0.00 -0.22 -0.77 -1.24 2.13 -0.59 -4.84 120.64 115.10 1pmr n GLU 34 Ca 0.00 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.48 1pmr n GLU 34 Cb 0.00 0.00 0.13 0.00 0.27 0.00 0.00 31.44 31.84 1pmr n GLU 34 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1pmr n VAL 35 N -1.95 0.00 -3.04 6.31 3.14 -1.26 -4.13 118.33 117.40 1pmr n VAL 35 Ca 0.00 -0.25 -0.15 0.00 -2.96 0.00 0.00 64.34 60.98 1pmr n VAL 35 Cb 0.00 -0.48 0.00 0.00 -1.06 0.00 0.00 33.84 32.31 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 -0.47 0.11 -3.84 6.55 -0.00 -1.15 -2.61 117.00 115.59 1pmr n LEU 36 Ca 0.01 -4.60 -0.37 0.00 -0.00 0.00 0.00 56.01 51.06 1pmr n LEU 36 Cb 0.62 0.73 0.03 0.00 -0.00 0.00 0.00 43.42 44.80 1pmr n LEU 36 CO 0.50 2.18 -1.83 0.55 -0.00 0.00 0.00 177.39 178.80 1pmr n VAL 37 N 0.25 0.00 -4.63 1.47 3.14 -1.25 -4.02 118.33 113.30 1pmr n VAL 37 Ca 0.19 -0.15 -0.23 0.00 -2.96 0.00 0.00 64.34 61.19 1pmr n VAL 37 Cb 0.68 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.32 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 -1.92 1.23 0.00 1.45 2.02 -1.09 -2.76 118.70 117.63 1pmr s GLU 38 Ca 0.36 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.63 1pmr s GLU 38 Cb 0.02 -1.24 0.00 0.00 0.10 0.00 0.00 34.13 33.01 1pmr s GLU 38 CO 0.68 0.33 0.00 1.51 0.02 0.00 0.00 175.26 177.80 1pmr n ILE 39 N 2.27 0.00 -3.39 -1.63 3.06 -1.08 0.29 119.36 118.88 1pmr n ILE 39 Ca -0.16 0.00 -0.23 0.00 -2.50 0.00 0.00 62.75 59.86 1pmr n ILE 39 Cb 0.54 0.00 -0.10 0.00 0.54 0.00 0.00 39.64 40.63 1pmr n ILE 39 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1pmr s GLU 40 N -1.01 0.65 0.00 9.51 0.41 0.61 -4.50 118.70 124.37 1pmr s GLU 40 Ca 0.00 -1.23 0.00 0.00 -0.41 0.00 0.00 54.97 53.33 1pmr s GLU 40 Cb 0.00 -1.04 0.00 0.00 -1.78 0.00 0.00 34.13 31.31 1pmr s GLU 40 CO 0.00 -1.23 0.00 2.41 -0.49 0.00 0.00 175.26 175.95 1pmr n THR 41 N 3.93 0.00 -3.25 3.63 -1.04 -0.64 -1.25 114.28 115.67 1pmr n THR 41 Ca 0.14 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.70 1pmr n THR 41 Cb 0.42 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.92 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 -1.00 6.96 0.00 8.00 -1.08 -1.26 -4.46 116.67 123.82 1pmr s ASP 42 Ca 0.00 -2.93 0.00 0.00 -0.52 0.00 0.00 52.55 49.10 1pmr s ASP 42 Cb 0.00 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.21 1pmr s ASP 42 CO 0.00 -0.56 0.00 1.17 0.52 0.00 0.00 175.17 176.30 1pmr n LYS 43 N 4.04 0.00 -4.77 4.34 4.81 -1.26 -4.98 118.16 120.34 1pmr n LYS 43 Ca 0.21 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.31 1pmr n LYS 43 Cb 0.44 -0.33 -0.13 0.00 0.02 0.00 0.00 35.03 35.03 1pmr n LYS 43 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1pmr s VAL 44 N -1.27 3.22 -0.31 3.15 1.01 -1.26 -5.09 120.40 119.85 1pmr s VAL 44 Ca 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1pmr s VAL 44 Cb 0.00 -2.32 0.08 0.00 0.00 0.00 0.00 36.38 34.14 1pmr s VAL 44 CO 0.00 0.56 -0.01 -0.69 0.00 0.00 0.00 175.10 174.96 1pmr s VAL 45 N -0.25 2.41 1.00 2.92 1.01 -1.26 -1.61 120.40 124.61 1pmr s VAL 45 Ca 0.02 -1.92 -0.17 0.00 0.00 0.00 0.00 61.98 59.91 1pmr s VAL 45 Cb -0.13 -2.57 0.23 0.00 0.00 0.00 0.00 36.38 33.91 1pmr s VAL 45 CO 0.03 -0.31 1.36 -0.76 0.00 0.00 0.00 175.10 175.41 1pmr s LEU 46 N 1.05 2.76 0.00 3.92 2.01 -1.26 -4.78 118.68 122.37 1pmr s LEU 46 Ca 0.01 0.15 0.00 0.00 0.01 0.00 0.00 54.13 54.30 1pmr s LEU 46 Cb -0.20 -2.09 0.00 0.00 0.01 0.00 0.00 46.19 43.91 1pmr s LEU 46 CO -0.06 -2.93 0.00 -0.62 1.01 0.00 0.00 176.35 173.76 1pmr n GLU 47 N -3.87 1.01 -2.86 1.70 1.02 -1.26 -2.64 120.64 113.74 1pmr n GLU 47 Ca 0.17 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.19 1pmr n GLU 47 Cb 0.59 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 32.03 1pmr n GLU 47 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1pmr n VAL 48 N 0.00 -0.18 -2.60 2.62 0.31 -1.11 -4.74 118.33 112.63 1pmr n VAL 48 Ca 0.00 -2.15 -0.42 0.00 -0.01 0.00 0.00 64.34 61.76 1pmr n VAL 48 Cb 0.00 0.63 -0.03 0.00 -0.91 0.00 0.00 33.84 33.53 1pmr n VAL 48 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1pmr s PRO 49 N 0.20 3.41 0.80 5.55 0.04 -1.14 -2.94 135.00 140.92 1pmr s PRO 49 Ca 0.33 0.06 -0.11 0.00 0.04 0.00 0.00 61.00 61.32 1pmr s PRO 49 Cb 0.22 -4.06 0.18 0.00 0.04 0.00 0.00 34.50 30.87 1pmr s PRO 49 CO -0.21 -1.78 1.09 0.00 0.04 0.00 0.00 177.00 176.14 1pmr n ALA 50 N 8.56 -0.94 -1.40 8.56 0.00 -1.07 -4.83 120.51 129.39 1pmr n ALA 50 Ca 0.06 -1.57 0.08 0.00 0.00 0.00 0.00 53.44 52.01 1pmr n ALA 50 Cb 0.49 0.02 0.16 0.00 0.00 0.00 0.00 19.45 20.11 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 -3.53 1.91 0.00 0.00 3.41 -1.26 -1.54 113.62 112.60 1pmr n SER 51 Ca 0.15 -3.32 0.00 0.00 -0.26 0.00 0.00 58.87 55.44 1pmr n SER 51 Cb 0.51 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.15 0.00 -0.93 7.33 0.00 -1.20 -4.18 120.51 120.38 1pmr n ALA 52 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1pmr n ALA 52 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 1pmr n ALA 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1pmr n ASP 53 N 0.00 0.00 0.00 0.00 -0.08 -1.04 -4.73 116.55 110.70 1pmr n ASP 53 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1pmr n ASP 53 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1pmr n ASP 53 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pmr n GLY 54 N 0.00 1.10 3.51 0.27 0.00 -1.26 0.17 105.19 108.98 1pmr n GLY 54 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.47 -0.01 -1.53 -0.61 5.41 -1.26 -4.46 119.36 116.43 1pmr n ILE 55 Ca 0.00 -0.16 -0.20 0.00 1.00 0.00 0.00 62.75 63.39 1pmr n ILE 55 Cb 0.00 -0.69 -0.15 0.00 -0.71 0.00 0.00 39.64 38.08 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 10.53 0.08 -0.06 1.39 7.94 -1.24 -1.41 117.00 134.24 1pmr n LEU 56 Ca 0.63 -0.89 -0.04 0.00 -1.11 0.00 0.00 56.01 54.60 1pmr n LEU 56 Cb 0.10 -1.05 -0.03 0.00 0.53 0.00 0.00 43.42 42.98 1pmr n LEU 56 CO 0.93 -1.90 -0.02 -0.78 -1.11 0.00 0.00 177.39 174.51 1pmr h ASP 57 N 12.08 0.00 -1.86 1.96 1.82 -1.71 -2.04 116.42 126.67 1pmr h ASP 57 Ca 0.01 -0.17 -0.28 0.00 -0.39 0.00 0.00 57.03 56.20 1pmr h ASP 57 Cb 1.09 0.00 -0.30 0.00 0.68 0.00 0.00 39.33 40.80 1pmr h ASP 57 CO 1.35 0.66 -0.61 0.00 -1.61 0.00 0.00 179.24 179.02 1pmr s ALA 58 N -2.53 -0.80 -0.69 -0.78 0.00 -0.37 -4.96 121.76 111.63 1pmr s ALA 58 Ca -0.07 -0.37 -0.27 0.00 0.00 0.00 0.00 51.96 51.25 1pmr s ALA 58 Cb 0.00 -2.05 0.03 0.00 0.00 0.00 0.00 23.12 21.10 1pmr s ALA 58 CO 0.16 -1.92 1.27 0.08 0.00 0.00 0.00 175.76 175.35 1pmr s VAL 59 N 2.03 3.80 0.29 0.00 1.01 -1.23 -1.61 120.40 124.69 1pmr s VAL 59 Ca 0.13 0.56 0.19 0.00 0.00 0.00 0.00 61.98 62.85 1pmr s VAL 59 Cb -0.13 -4.84 0.15 0.00 0.00 0.00 0.00 36.38 31.56 1pmr s VAL 59 CO -0.19 -1.68 1.83 -0.07 0.00 0.00 0.00 175.10 174.99 1pmr h LEU 60 N 12.77 0.00 -5.35 3.92 3.38 -1.85 -3.20 115.31 124.97 1pmr h LEU 60 Ca -0.27 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.12 1pmr h LEU 60 Cb 1.05 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.39 1pmr h LEU 60 CO 1.25 0.33 -0.69 -0.62 0.09 0.00 0.00 178.44 178.79 1pmr n GLU 61 N -3.73 3.04 -1.24 1.13 -0.58 0.13 -4.97 120.64 114.41 1pmr n GLU 61 Ca -0.01 -4.73 -0.42 0.00 -0.42 0.00 0.00 57.16 51.58 1pmr n GLU 61 Cb 0.42 -2.19 -0.02 0.00 -0.57 0.00 0.00 31.44 29.08 1pmr n GLU 61 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1pmr n ASP 62 N -0.20 -1.32 -4.40 1.62 8.00 -1.21 -4.55 116.55 114.48 1pmr n ASP 62 Ca 0.30 0.97 -0.49 0.00 0.71 0.00 0.00 54.79 56.29 1pmr n ASP 62 Cb 0.42 -0.84 -0.03 0.00 -0.02 0.00 0.00 41.12 40.64 1pmr n ASP 62 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1pmr n GLU 63 N 0.94 0.00 0.00 -1.24 0.28 -1.26 -2.62 120.64 116.74 1pmr n GLU 63 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 1pmr n GLU 63 Cb 0.24 -1.03 0.00 0.00 1.43 0.00 0.00 31.44 32.08 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 1.97 1.21 3.95 -1.84 0.00 0.78 -4.94 105.19 106.32 1pmr n GLY 64 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.13 2.16 0.26 2.61 2.01 -1.08 -4.82 115.64 114.66 1pmr s THR 65 Ca 0.00 -0.29 -0.04 0.00 0.31 0.00 0.00 61.69 61.67 1pmr s THR 65 Cb 0.00 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 1pmr s THR 65 CO 0.00 0.00 0.51 -0.89 -0.69 0.00 0.00 174.62 173.55 1pmr s THR 66 N -3.40 5.07 0.23 -0.82 2.01 -1.26 -2.99 115.64 114.47 1pmr s THR 66 Ca 0.66 -0.03 -0.12 0.00 0.31 0.00 0.00 61.69 62.51 1pmr s THR 66 Cb -0.07 -3.73 -0.00 0.00 0.01 0.00 0.00 72.50 68.71 1pmr s THR 66 CO 0.47 -0.27 0.43 0.54 -0.69 0.00 0.00 174.62 175.10 1pmr s VAL 67 N -2.02 0.01 0.00 3.82 0.11 -1.15 -4.93 120.40 116.24 1pmr s VAL 67 Ca 0.43 -1.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.08 1pmr s VAL 67 Cb -0.11 -2.13 0.00 0.00 -1.53 0.00 0.00 36.38 32.61 1pmr s VAL 67 CO 0.29 -0.05 0.00 1.07 -3.33 0.00 0.00 175.10 173.09 1pmr n THR 68 N -0.35 0.00 0.00 5.04 5.66 -1.26 -0.95 114.28 122.42 1pmr n THR 68 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 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 -1.20 -3.05 0.00 0.00 175.07 170.82 1pmr n SER 69 N 0.00 0.00 -4.58 1.09 7.64 -1.26 -4.44 113.62 112.07 1pmr n SER 69 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1pmr n SER 69 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1pmr n SER 69 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1pmr s ARG 70 N 0.00 2.94 0.00 1.43 3.52 -0.97 -2.92 118.95 122.95 1pmr s ARG 70 Ca 0.00 -1.38 0.00 0.00 -0.13 0.00 0.00 55.73 54.22 1pmr s ARG 70 Cb 0.00 -5.32 0.00 0.00 -1.56 0.00 0.00 34.95 28.07 1pmr s ARG 70 CO 0.00 -3.44 0.00 1.04 -0.81 0.00 0.00 175.30 172.09 1pmr n GLN 71 N 8.35 0.00 0.00 5.12 1.13 -1.26 -4.71 117.38 126.01 1pmr n GLN 71 Ca 0.46 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.52 1pmr n GLN 71 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.81 1pmr n GLN 71 CO 0.00 0.00 0.00 1.51 -1.44 0.00 0.00 177.06 177.13 1pmr n ILE 72 N 0.00 0.00 0.14 5.09 3.06 -1.26 -4.60 119.36 121.79 1pmr n ILE 72 Ca 0.00 0.00 -0.24 0.00 -2.50 0.00 0.00 62.75 60.01 1pmr n ILE 72 Cb 0.00 0.00 -0.15 0.00 0.54 0.00 0.00 39.64 40.03 1pmr n ILE 72 CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 1pmr h LEU 73 N 0.00 0.81 0.00 9.51 5.85 -1.25 -3.40 115.31 126.83 1pmr h LEU 73 Ca 0.00 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 57.87 1pmr h LEU 73 Cb 0.00 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.77 1pmr h LEU 73 CO 0.00 1.66 0.00 0.61 -0.34 0.00 0.00 178.44 180.37 1pmr n GLY 74 N 1.65 3.43 3.89 3.75 0.00 -1.22 -0.69 105.19 116.00 1pmr n GLY 74 Ca -0.16 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.19 3.34 0.00 1.61 1.70 -0.63 -2.69 118.95 120.09 1pmr s ARG 75 Ca 0.00 -0.44 0.00 0.00 -0.47 0.00 0.00 55.73 54.82 1pmr s ARG 75 Cb 0.00 -3.00 0.00 0.00 -0.57 0.00 0.00 34.95 31.38 1pmr s ARG 75 CO 0.00 0.63 0.00 1.28 -1.08 0.00 0.00 175.30 176.13 1pmr n LEU 76 N 0.56 0.00 -0.07 -1.89 4.77 -1.02 -1.24 117.00 118.11 1pmr n LEU 76 Ca -0.08 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.76 1pmr n LEU 76 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1pmr n LEU 76 CO 0.48 0.00 -0.93 -1.14 -1.33 0.00 0.00 177.39 174.47 1pmr n ARG 77 N 0.00 0.31 -1.19 3.23 0.00 -0.50 -3.95 116.66 114.56 1pmr n ARG 77 Ca 0.00 0.13 0.14 0.00 -0.00 0.00 0.00 57.85 58.12 1pmr n ARG 77 Cb 0.00 -1.02 -0.05 0.00 0.00 0.00 0.00 32.46 31.40 1pmr n ARG 77 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1pmr n GLU 78 N -3.70 -2.27 0.00 -0.14 2.13 -1.26 -2.87 120.64 112.52 1pmr n GLU 78 Ca -0.26 1.68 0.00 0.00 0.66 0.00 0.00 57.16 59.24 1pmr n GLU 78 Cb 0.65 -2.85 0.00 0.00 0.27 0.00 0.00 31.44 29.51 1pmr n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pmr n GLY 79 N -3.64 2.74 0.00 8.31 0.00 -1.26 -4.56 105.19 106.78 1pmr n GLY 79 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1pmr n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02