#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 -0.82 -3.71 -3.46 7.64 -1.26 -4.34 113.62 107.67 1pmr n SER 2 Ca 0.00 -0.41 -0.42 0.00 1.01 0.00 0.00 58.87 59.05 1pmr n SER 2 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -2.15 4.04 -2.15 0.44 0.31 -1.22 -4.74 118.33 112.86 1pmr n VAL 3 Ca 0.00 -3.60 -0.30 0.00 -0.01 0.00 0.00 64.34 60.43 1pmr n VAL 3 Cb 0.00 -2.47 -0.05 0.00 -0.91 0.00 0.00 33.84 30.41 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 1.95 5.39 0.22 4.52 1.01 -1.25 -2.91 116.67 125.60 1pmr s ASP 4 Ca 0.47 -1.25 0.05 0.00 0.71 0.00 0.00 52.55 52.54 1pmr s ASP 4 Cb 0.13 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 1pmr s ASP 4 CO -0.05 -2.60 0.26 -0.51 0.21 0.00 0.00 175.17 172.48 1pmr s ILE 5 N 9.37 4.87 0.00 0.77 1.10 -0.35 -4.97 121.20 132.00 1pmr s ILE 5 Ca 0.66 -1.11 0.00 0.00 -0.51 0.00 0.00 60.65 59.69 1pmr s ILE 5 Cb -0.03 -3.60 0.00 0.00 0.15 0.00 0.00 42.46 38.98 1pmr s ILE 5 CO 0.04 -0.27 0.00 0.18 -2.11 0.00 0.00 174.94 172.78 1pmr n LEU 6 N -1.04 0.00 -2.81 8.50 4.32 -1.26 -0.85 117.00 123.86 1pmr n LEU 6 Ca -0.08 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.72 1pmr n LEU 6 Cb 0.57 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.36 1pmr n LEU 6 CO 0.45 0.00 -0.04 0.52 -1.22 0.00 0.00 177.39 177.10 1pmr n VAL 7 N 0.00 1.34 -1.42 4.08 0.31 -0.77 -4.66 118.33 117.21 1pmr n VAL 7 Ca 0.00 -4.30 -0.40 0.00 -0.01 0.00 0.00 64.34 59.63 1pmr n VAL 7 Cb 0.00 -0.35 -0.02 0.00 -0.91 0.00 0.00 33.84 32.56 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 -0.09 2.65 0.00 5.55 -0.04 -1.11 -3.23 135.00 138.72 1pmr n PRO 8 Ca 0.24 -2.24 0.00 0.00 -0.04 0.00 0.00 63.50 61.46 1pmr n PRO 8 Cb 0.67 -3.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 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 5.71 0.30 -3.38 3.54 8.00 -1.26 -4.88 116.55 124.57 1pmr n ASP 9 Ca 0.56 -0.67 -0.26 0.00 0.71 0.00 0.00 54.79 55.13 1pmr n ASP 9 Cb 0.33 0.25 -0.09 0.00 -0.02 0.00 0.00 41.12 41.60 1pmr n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pmr n LEU 10 N -0.25 1.11 -1.64 0.64 -0.00 -1.26 -4.96 117.00 110.64 1pmr n LEU 10 Ca 0.00 -4.83 -0.03 0.00 -0.00 0.00 0.00 56.01 51.15 1pmr n LEU 10 Cb 0.06 0.16 -0.05 0.00 -0.00 0.00 0.00 43.42 43.60 1pmr n LEU 10 CO 0.00 1.97 1.17 -0.81 -0.00 0.00 0.00 177.39 179.72 1pmr n PRO 11 N 1.74 1.27 0.00 1.47 -0.04 -1.26 -4.65 135.00 133.53 1pmr n PRO 11 Ca 0.25 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1pmr n PRO 11 Cb 0.47 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 1.77 0.00 -0.92 0.54 -0.58 -1.26 -5.12 120.64 115.07 1pmr n GLU 12 Ca 0.12 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.49 1pmr n GLU 12 Cb 0.61 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 31.55 1pmr n GLU 12 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1pmr n SER 13 N 0.00 -3.73 -3.15 1.62 2.88 -1.26 -4.92 113.62 105.06 1pmr n SER 13 Ca 0.00 0.07 -0.25 0.00 -1.33 0.00 0.00 58.87 57.36 1pmr n SER 13 Cb 0.00 -0.73 -0.05 0.00 -0.75 0.00 0.00 64.21 62.68 1pmr n SER 13 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1pmr n VAL 14 N -3.36 1.79 1.51 2.46 0.31 -1.26 -4.84 118.33 114.94 1pmr n VAL 14 Ca -0.01 -5.10 0.13 0.00 -0.01 0.00 0.00 64.34 59.35 1pmr n VAL 14 Cb 0.65 -1.46 0.53 0.00 -0.91 0.00 0.00 33.84 32.66 1pmr n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pmr n ALA 15 N 0.37 2.57 -0.62 3.52 0.00 -1.26 -5.04 120.51 120.06 1pmr n ALA 15 Ca 0.28 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1pmr n ALA 15 Cb 0.46 -1.19 -0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 0.02 -3.73 -1.41 0.00 8.00 -1.26 -4.96 116.55 113.20 1pmr n ASP 16 Ca 0.18 0.01 -0.01 0.00 0.71 0.00 0.00 54.79 55.68 1pmr n ASP 16 Cb 0.30 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1pmr n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pmr n ALA 17 N -0.01 -0.47 -3.59 2.24 0.00 0.16 -4.28 120.51 114.56 1pmr n ALA 17 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 1pmr n ALA 17 Cb 0.00 0.13 -0.12 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.58 -0.03 -0.96 0.00 2.01 0.13 -2.98 115.64 111.23 1pmr s THR 18 Ca 0.04 0.10 -0.24 0.00 0.31 0.00 0.00 61.69 61.90 1pmr s THR 18 Cb -0.01 -0.44 -0.06 0.00 0.01 0.00 0.00 72.50 72.00 1pmr s THR 18 CO 0.01 0.04 1.98 -0.69 -0.69 0.00 0.00 174.62 175.27 1pmr s VAL 19 N 1.03 3.43 0.07 3.82 1.01 -1.17 0.07 120.40 128.66 1pmr s VAL 19 Ca -0.07 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 1pmr s VAL 19 Cb -0.08 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 1pmr s VAL 19 CO -0.07 -0.88 1.36 0.00 0.00 0.00 0.00 175.10 175.51 1pmr h ALA 20 N 11.04 -0.84 -1.87 5.51 0.00 0.11 0.84 119.26 134.05 1pmr h ALA 20 Ca 0.12 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1pmr h ALA 20 Cb 0.99 0.75 -0.21 0.00 0.00 0.00 0.00 17.79 19.32 1pmr h ALA 20 CO 1.20 -0.93 -0.02 0.99 0.00 0.00 0.00 179.25 180.49 1pmr s THR 21 N -4.81 -0.59 0.00 0.00 2.01 -0.99 -4.34 115.64 106.93 1pmr s THR 21 Ca -0.11 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.89 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 0.40 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 175.12 1pmr n TRP 22 N 4.96 -2.07 -2.12 4.92 7.02 -1.26 -2.63 117.44 126.25 1pmr n TRP 22 Ca -0.14 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.30 1pmr n TRP 22 Cb 0.53 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.38 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 -1.88 0.00 -4.32 -5.99 8.25 -1.26 -4.84 115.22 105.18 1pmr n HIS 23 Ca 0.00 -0.44 -0.31 0.00 -0.26 0.00 0.00 57.72 56.71 1pmr n HIS 23 Cb 0.00 0.30 -0.16 0.00 1.12 0.00 0.00 29.99 31.25 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 0.00 2.54 1.20 -0.41 2.47 -1.26 -4.79 119.74 119.48 1pmr s LYS 24 Ca 0.08 -0.67 -0.20 0.00 -1.56 0.00 0.00 55.97 53.63 1pmr s LYS 24 Cb 0.10 -2.18 0.29 0.00 -1.46 0.00 0.00 37.83 34.58 1pmr s LYS 24 CO -0.04 -0.13 1.15 0.21 0.16 0.00 0.00 175.35 176.70 1pmr s LYS 25 N 1.14 -1.18 -0.89 4.03 2.47 -1.26 -4.82 119.74 119.23 1pmr s LYS 25 Ca -0.02 -0.20 -0.25 0.00 -1.56 0.00 0.00 55.97 53.94 1pmr s LYS 25 Cb -0.14 -1.61 -0.06 0.00 -1.46 0.00 0.00 37.83 34.55 1pmr s LYS 25 CO -0.06 -3.66 2.02 -1.25 0.16 0.00 0.00 175.35 172.56 1pmr s PRO 26 N -5.55 2.39 -0.07 4.03 0.04 -1.26 -3.02 135.00 131.56 1pmr s PRO 26 Ca 0.72 -0.17 -0.00 0.00 0.04 0.00 0.00 61.00 61.59 1pmr s PRO 26 Cb -0.07 -5.02 0.00 0.00 0.04 0.00 0.00 34.50 29.45 1pmr s PRO 26 CO 0.55 -3.57 0.06 0.41 0.04 0.00 0.00 177.00 174.50 1pmr n GLY 27 N 6.84 0.63 0.00 0.56 0.00 0.01 -4.78 105.19 108.45 1pmr n GLY 27 Ca 0.41 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.02 0.00 0.00 1.61 9.92 -1.17 -4.61 116.55 122.33 1pmr n ASP 28 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1pmr n ASP 28 Cb 0.51 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 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 -3.22 2.24 0.00 -1.14 -4.56 120.51 110.82 1pmr n ALA 29 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1pmr n ALA 29 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1pmr n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pmr n VAL 30 N 0.00 0.00 0.00 0.00 0.31 -0.23 -4.89 118.33 113.52 1pmr n VAL 30 Ca 0.00 -1.93 0.00 0.00 -0.01 0.00 0.00 64.34 62.40 1pmr n VAL 30 Cb 0.00 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 1pmr n VAL 30 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1pmr n VAL 31 N -2.13 0.00 -2.13 2.52 0.24 -1.26 -2.94 118.33 112.63 1pmr n VAL 31 Ca 0.12 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.16 1pmr n VAL 31 Cb 0.59 -0.32 0.02 0.00 -1.47 0.00 0.00 33.84 32.66 1pmr n VAL 31 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1pmr n ARG 32 N 0.00 3.46 0.00 7.34 1.74 -1.26 -2.80 116.66 125.14 1pmr n ARG 32 Ca 0.00 -4.20 0.00 0.00 -0.77 0.00 0.00 57.85 52.88 1pmr n ARG 32 Cb 0.00 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.17 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 -0.64 0.00 -0.37 0.55 8.00 -1.26 -4.66 116.55 118.18 1pmr n ASP 33 Ca 0.44 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.94 1pmr n ASP 33 Cb 0.81 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 1pmr n ASP 33 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pmr n GLU 34 N 0.00 2.72 -0.75 -1.24 1.02 -0.60 -4.72 120.64 117.08 1pmr n GLU 34 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 1pmr n GLU 34 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 1pmr n GLU 34 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1pmr n VAL 35 N -0.04 0.00 -2.93 2.62 3.14 -1.26 -3.75 118.33 116.11 1pmr n VAL 35 Ca 0.00 -0.17 -0.13 0.00 -2.96 0.00 0.00 64.34 61.08 1pmr n VAL 35 Cb 0.00 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 32.81 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 2.62 -0.46 -3.88 6.55 -0.00 -1.08 -2.59 117.00 118.17 1pmr n LEU 36 Ca -0.01 -4.28 -0.37 0.00 -0.00 0.00 0.00 56.01 51.34 1pmr n LEU 36 Cb 0.50 0.71 0.03 0.00 -0.00 0.00 0.00 43.42 44.66 1pmr n LEU 36 CO 0.36 2.11 -1.92 0.55 -0.00 0.00 0.00 177.39 178.49 1pmr n VAL 37 N 0.20 0.00 -3.97 1.47 3.14 -1.24 -3.95 118.33 113.98 1pmr n VAL 37 Ca 0.14 -0.11 -0.25 0.00 -2.96 0.00 0.00 64.34 61.16 1pmr n VAL 37 Cb 0.71 0.00 -0.17 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 -1.94 1.34 0.01 1.45 2.02 -1.08 -2.89 118.70 117.61 1pmr s GLU 38 Ca 0.36 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 55.15 1pmr s GLU 38 Cb 0.04 -1.41 0.00 0.00 0.10 0.00 0.00 34.13 32.86 1pmr s GLU 38 CO 0.68 -0.23 0.01 1.51 0.02 0.00 0.00 175.26 177.25 1pmr n ILE 39 N 4.81 0.00 -3.29 -1.63 0.13 -1.15 0.76 119.36 118.99 1pmr n ILE 39 Ca -0.13 -0.04 -0.07 0.00 -1.10 0.00 0.00 62.75 61.41 1pmr n ILE 39 Cb 0.50 -0.79 -0.05 0.00 -0.84 0.00 0.00 39.64 38.46 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 -2.04 0.43 -0.19 9.51 2.02 0.11 -4.21 118.70 124.33 1pmr s GLU 40 Ca 0.01 0.25 0.07 0.00 0.02 0.00 0.00 54.97 55.32 1pmr s GLU 40 Cb -0.00 -0.23 -0.22 0.00 0.10 0.00 0.00 34.13 33.78 1pmr s GLU 40 CO 0.01 -0.98 0.09 -2.37 0.02 0.00 0.00 175.26 172.02 1pmr n THR 41 N 5.36 1.52 0.00 3.63 5.66 -1.12 -0.70 114.28 128.64 1pmr n THR 41 Ca 0.01 -0.71 0.00 0.00 -3.05 0.00 0.00 64.05 60.30 1pmr n THR 41 Cb 0.50 -1.10 0.00 0.00 -1.55 0.00 0.00 70.33 68.18 1pmr n THR 41 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1pmr n ASP 42 N -3.10 0.00 0.00 1.09 2.03 -1.26 -4.71 116.55 110.60 1pmr n ASP 42 Ca -0.35 0.00 0.00 0.00 0.52 0.00 0.00 54.79 54.96 1pmr n ASP 42 Cb 1.06 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.46 1pmr n ASP 42 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1pmr n LYS 43 N 0.00 0.00 -4.26 -0.67 0.00 -1.26 -4.98 118.16 106.99 1pmr n LYS 43 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 58.31 57.97 1pmr n LYS 43 Cb 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 35.03 34.53 1pmr n LYS 43 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1pmr s VAL 44 N -1.26 4.25 -0.18 3.15 1.01 -1.26 -5.09 120.40 121.02 1pmr s VAL 44 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 1pmr s VAL 44 Cb 0.00 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1pmr s VAL 44 CO 0.00 0.50 -0.10 -0.69 0.00 0.00 0.00 175.10 174.81 1pmr s VAL 45 N 0.21 3.07 0.84 2.92 1.01 -1.26 -2.79 120.40 124.40 1pmr s VAL 45 Ca 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 1pmr s VAL 45 Cb -0.13 -2.35 0.17 0.00 0.00 0.00 0.00 36.38 34.06 1pmr s VAL 45 CO 0.02 0.47 1.15 -0.76 0.00 0.00 0.00 175.10 175.99 1pmr s LEU 46 N 1.07 2.85 0.41 3.92 1.43 -1.26 -4.79 118.68 122.32 1pmr s LEU 46 Ca 0.00 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1pmr s LEU 46 Cb -0.15 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 1pmr s LEU 46 CO -0.02 -2.30 0.08 -1.61 0.23 0.00 0.00 176.35 172.73 1pmr s GLU 47 N -5.50 1.93 -0.40 1.70 2.02 -1.26 -2.94 118.70 114.26 1pmr s GLU 47 Ca 0.70 -2.17 0.07 0.00 0.02 0.00 0.00 54.97 53.59 1pmr s GLU 47 Cb -0.04 -0.95 0.23 0.00 0.10 0.00 0.00 34.13 33.47 1pmr s GLU 47 CO 0.49 -0.36 0.49 0.28 0.02 0.00 0.00 175.26 176.17 1pmr n VAL 48 N -0.95 -0.72 -2.60 2.63 0.31 -1.14 -4.80 118.33 111.05 1pmr n VAL 48 Ca -0.08 -3.93 -0.43 0.00 -0.01 0.00 0.00 64.34 59.89 1pmr n VAL 48 Cb 0.66 -1.90 -0.02 0.00 -0.91 0.00 0.00 33.84 31.66 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 -0.97 4.05 0.37 5.55 0.04 -1.17 -2.62 135.00 140.25 1pmr s PRO 49 Ca 0.35 1.11 0.04 0.00 0.04 0.00 0.00 61.00 62.53 1pmr s PRO 49 Cb 0.14 -3.76 0.07 0.00 0.04 0.00 0.00 34.50 30.99 1pmr s PRO 49 CO -0.13 -0.93 0.51 0.00 0.04 0.00 0.00 177.00 176.49 1pmr n ALA 50 N 6.97 0.51 -3.29 8.56 0.00 -1.07 -4.85 120.51 127.34 1pmr n ALA 50 Ca 0.12 -1.20 -0.25 0.00 0.00 0.00 0.00 53.44 52.11 1pmr n ALA 50 Cb 0.47 0.28 -0.07 0.00 0.00 0.00 0.00 19.45 20.13 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 -2.73 1.69 0.00 0.00 3.41 -1.26 -1.55 113.62 113.18 1pmr n SER 51 Ca 0.10 -3.01 0.00 0.00 -0.26 0.00 0.00 58.87 55.70 1pmr n SER 51 Cb 0.35 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 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 1.19 -0.14 0.00 7.33 0.00 -1.12 -4.66 120.51 123.10 1pmr n ALA 52 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1pmr n ALA 52 Cb 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.06 0.00 -1.32 0.00 -0.08 -1.15 -4.88 116.55 109.06 1pmr n ASP 53 Ca 0.00 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.25 1pmr n ASP 53 Cb 0.00 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.45 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 0.19 3.56 0.27 0.00 -1.26 -1.07 105.19 106.88 1pmr n GLY 54 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1pmr n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pmr s ILE 55 N -1.43 3.81 -0.44 -0.61 1.01 -1.26 -3.67 121.20 118.61 1pmr s ILE 55 Ca 0.00 -0.63 -0.41 0.00 0.00 0.00 0.00 60.65 59.61 1pmr s ILE 55 Cb 0.00 -4.81 -0.16 0.00 0.01 0.00 0.00 42.46 37.49 1pmr s ILE 55 CO 0.00 -1.71 2.10 -0.11 0.00 0.00 0.00 174.94 175.22 1pmr n LEU 56 N 10.06 1.32 0.00 2.97 7.94 -1.25 -2.46 117.00 135.59 1pmr n LEU 56 Ca 0.34 0.65 0.00 0.00 -1.11 0.00 0.00 56.01 55.88 1pmr n LEU 56 Cb 0.50 -1.03 0.00 0.00 0.53 0.00 0.00 43.42 43.42 1pmr n LEU 56 CO 0.65 -0.74 -0.14 -0.67 -1.11 0.00 0.00 177.39 175.37 1pmr n ASP 57 N 7.92 1.43 -2.68 1.96 2.03 -1.23 -0.81 116.55 125.17 1pmr n ASP 57 Ca 0.47 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.76 1pmr n ASP 57 Cb 0.06 0.14 0.05 0.00 -0.72 0.00 0.00 41.12 40.65 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 -0.92 2.85 -2.09 -1.67 0.00 0.23 -4.96 120.51 113.95 1pmr n ALA 58 Ca 0.00 -2.85 -0.42 0.00 0.00 0.00 0.00 53.44 50.16 1pmr n ALA 58 Cb 0.14 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1pmr n ALA 58 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1pmr n VAL 59 N -0.57 3.85 1.25 0.00 3.14 -1.21 -1.40 118.33 123.40 1pmr n VAL 59 Ca 0.11 -3.69 0.10 0.00 -2.96 0.00 0.00 64.34 57.90 1pmr n VAL 59 Cb 0.83 -2.49 0.57 0.00 -1.06 0.00 0.00 33.84 31.69 1pmr n VAL 59 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pmr n LEU 60 N 5.50 0.00 -2.34 6.55 -0.00 -1.24 -2.84 117.00 122.63 1pmr n LEU 60 Ca 0.47 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 56.15 1pmr n LEU 60 Cb 0.39 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.87 1pmr n LEU 60 CO 0.84 0.00 1.15 -0.62 -0.00 0.00 0.00 177.39 178.76 1pmr n GLU 61 N -0.98 2.93 -1.46 1.47 -0.58 -0.61 -5.01 120.64 116.39 1pmr n GLU 61 Ca 0.14 -3.55 -0.57 0.00 -0.42 0.00 0.00 57.16 52.76 1pmr n GLU 61 Cb 0.07 -2.28 -0.08 0.00 -0.57 0.00 0.00 31.44 28.57 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 -0.81 0.56 -2.22 1.62 8.00 -1.13 -4.48 116.55 118.08 1pmr n ASP 62 Ca 0.57 1.05 -0.31 0.00 0.71 0.00 0.00 54.79 56.81 1pmr n ASP 62 Cb 0.68 -0.81 -0.05 0.00 -0.02 0.00 0.00 41.12 40.93 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 2.50 0.00 0.00 -1.24 0.28 -1.26 -2.48 120.64 118.44 1pmr n GLU 63 Ca 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.23 1pmr n GLU 63 Cb 0.01 -0.71 0.00 0.00 1.43 0.00 0.00 31.44 32.17 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 1.64 1.56 3.94 -1.84 0.00 0.29 -4.90 105.19 105.88 1pmr n GLY 64 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.66 2.09 0.04 2.61 2.01 -1.04 -4.82 115.64 114.87 1pmr s THR 65 Ca 0.00 -0.17 -0.08 0.00 0.31 0.00 0.00 61.69 61.75 1pmr s THR 65 Cb 0.00 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.53 1pmr s THR 65 CO 0.00 0.00 0.32 -0.89 -0.69 0.00 0.00 174.62 173.36 1pmr s THR 66 N -3.54 5.22 0.24 -0.82 2.01 -1.26 -3.05 115.64 114.43 1pmr s THR 66 Ca 0.67 0.27 -0.12 0.00 0.31 0.00 0.00 61.69 62.83 1pmr s THR 66 Cb -0.07 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 1pmr s THR 66 CO 0.49 0.33 0.44 0.54 -0.69 0.00 0.00 174.62 175.73 1pmr s VAL 67 N -1.34 0.01 0.00 3.82 0.11 -1.16 -4.95 120.40 116.89 1pmr s VAL 67 Ca 0.30 -1.43 0.00 0.00 -2.93 0.00 0.00 61.98 57.92 1pmr s VAL 67 Cb -0.13 -2.18 0.00 0.00 -1.53 0.00 0.00 36.38 32.54 1pmr s VAL 67 CO 0.17 -0.03 0.00 0.41 -3.33 0.00 0.00 175.10 172.32 1pmr n THR 68 N -0.36 0.00 0.00 5.04 -1.04 -1.26 -0.67 114.28 115.99 1pmr n THR 68 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1pmr n THR 68 Cb 0.62 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 1pmr n THR 68 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1pmr n SER 69 N 0.00 0.00 -1.37 8.00 2.88 -1.26 -4.20 113.62 117.67 1pmr n SER 69 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1pmr n SER 69 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1pmr n SER 69 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pmr n ARG 70 N 0.00 0.90 0.00 -1.46 1.74 -1.20 -1.84 116.66 114.80 1pmr n ARG 70 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1pmr n ARG 70 Cb 0.00 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1pmr n ARG 70 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1pmr n GLN 71 N 1.22 0.00 0.00 5.56 1.13 -1.26 -4.64 117.38 119.39 1pmr n GLN 71 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1pmr n GLN 71 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.80 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 -0.05 5.09 3.06 -1.26 -4.59 119.36 121.61 1pmr n ILE 72 Ca 0.00 0.00 -0.15 0.00 -2.50 0.00 0.00 62.75 60.10 1pmr n ILE 72 Cb 0.00 0.00 -0.07 0.00 0.54 0.00 0.00 39.64 40.11 1pmr n ILE 72 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 1pmr h LEU 73 N 0.00 0.54 0.00 9.51 3.38 -1.26 -3.46 115.31 124.02 1pmr h LEU 73 Ca 0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1pmr h LEU 73 Cb 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1pmr h LEU 73 CO 0.00 1.02 0.00 0.61 0.09 0.00 0.00 178.44 180.16 1pmr n GLY 74 N 0.48 -0.01 2.93 0.83 0.00 -1.18 -1.58 105.19 106.67 1pmr n GLY 74 Ca -0.07 -1.36 -0.18 0.00 0.00 0.00 0.00 46.02 44.41 1pmr n GLY 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pmr s ARG 75 N -2.00 0.58 0.00 1.61 0.52 -0.49 -1.21 118.95 117.96 1pmr s ARG 75 Ca 0.00 -0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 1pmr s ARG 75 Cb 0.00 -0.59 0.00 0.00 0.52 0.00 0.00 34.95 34.88 1pmr s ARG 75 CO 0.00 0.03 0.00 1.28 0.02 0.00 0.00 175.30 176.63 1pmr n LEU 76 N 3.44 0.00 -4.06 2.53 4.32 -1.14 0.76 117.00 122.84 1pmr n LEU 76 Ca -0.19 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.71 1pmr n LEU 76 Cb 0.55 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.26 1pmr n LEU 76 CO 0.24 0.00 -0.22 -0.60 -1.22 0.00 0.00 177.39 175.59 1pmr s ARG 77 N 0.41 0.91 0.18 3.23 3.52 -1.03 -3.49 118.95 122.68 1pmr s ARG 77 Ca 0.00 -1.28 0.00 0.00 -0.13 0.00 0.00 55.73 54.32 1pmr s ARG 77 Cb 0.00 0.28 0.00 0.00 -1.56 0.00 0.00 34.95 33.67 1pmr s ARG 77 CO 0.00 -0.27 0.00 -0.85 -0.81 0.00 0.00 175.30 173.38 1pmr n GLU 78 N -0.08 1.56 -3.73 5.12 0.28 -1.26 -3.39 120.64 119.14 1pmr n GLU 78 Ca -0.09 -1.30 -0.13 0.00 -0.16 0.00 0.00 57.16 55.48 1pmr n GLU 78 Cb 0.63 0.34 -0.09 0.00 1.43 0.00 0.00 31.44 33.75 1pmr n GLU 78 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1pmr s GLY 79 N -2.00 -0.27 0.00 -1.84 0.00 -1.26 -4.95 107.32 97.00 1pmr s GLY 79 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 44.72 45.63 1pmr s GLY 79 CO 0.00 0.73 0.00 0.70 0.00 0.00 0.00 173.10 174.53