#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 -1.00 -4.56 6.43 3.41 -1.26 -4.37 113.62 112.28 1pmr n SER 2 Ca 0.00 -0.46 -0.27 0.00 -0.26 0.00 0.00 58.87 57.88 1pmr n SER 2 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1pmr n SER 2 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1pmr s VAL 3 N -0.96 3.45 -1.30 -3.33 1.01 -1.05 -4.78 120.40 113.44 1pmr s VAL 3 Ca 0.00 -0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 1pmr s VAL 3 Cb 0.00 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.42 1pmr s VAL 3 CO 0.00 -0.95 1.81 0.47 0.00 0.00 0.00 175.10 176.43 1pmr n ASP 4 N 13.93 4.62 -4.81 3.32 9.92 -1.26 -2.98 116.55 139.29 1pmr n ASP 4 Ca 0.40 -2.89 -0.38 0.00 -0.53 0.00 0.00 54.79 51.39 1pmr n ASP 4 Cb 0.47 -1.73 -0.06 0.00 -0.64 0.00 0.00 41.12 39.16 1pmr n ASP 4 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1pmr s ILE 5 N 4.73 5.09 0.00 0.53 1.10 -1.06 -5.01 121.20 126.58 1pmr s ILE 5 Ca 0.55 0.80 0.00 0.00 -0.51 0.00 0.00 60.65 61.49 1pmr s ILE 5 Cb 0.05 -3.71 0.00 0.00 0.15 0.00 0.00 42.46 38.95 1pmr s ILE 5 CO 0.07 0.53 0.00 0.00 -2.11 0.00 0.00 174.94 173.43 1pmr n LEU 6 N 2.22 0.00 -3.21 8.50 -0.00 -1.25 0.34 117.00 123.59 1pmr n LEU 6 Ca -0.13 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.64 1pmr n LEU 6 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.88 1pmr n LEU 6 CO 0.38 0.00 -0.13 0.52 -0.00 0.00 0.00 177.39 178.16 1pmr n VAL 7 N 0.00 0.70 -0.59 1.47 0.31 0.98 -4.69 118.33 116.50 1pmr n VAL 7 Ca 0.00 -4.65 -0.02 0.00 -0.01 0.00 0.00 64.34 59.65 1pmr n VAL 7 Cb 0.00 -1.55 -0.03 0.00 -0.91 0.00 0.00 33.84 31.36 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 0.79 1.18 -1.47 5.55 -0.04 -1.25 -0.65 135.00 139.11 1pmr n PRO 8 Ca 0.25 -0.20 -0.28 0.00 -0.04 0.00 0.00 63.50 63.23 1pmr n PRO 8 Cb 0.51 -1.17 -0.02 0.00 -0.04 0.00 0.00 33.50 32.77 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 1.63 6.71 -1.43 3.54 8.00 -1.26 -4.85 116.55 128.89 1pmr n ASP 9 Ca 0.08 -3.32 -0.12 0.00 0.71 0.00 0.00 54.79 52.14 1pmr n ASP 9 Cb 0.57 -1.17 -0.05 0.00 -0.02 0.00 0.00 41.12 40.45 1pmr n ASP 9 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1pmr n LEU 10 N 0.47 -0.03 0.00 0.64 7.99 -1.26 -4.85 117.00 119.96 1pmr n LEU 10 Ca 0.48 0.01 -0.20 0.00 -0.01 0.00 0.00 56.01 56.28 1pmr n LEU 10 Cb 0.51 -0.27 0.15 0.00 -0.11 0.00 0.00 43.42 43.70 1pmr n LEU 10 CO 0.39 -0.28 0.57 -0.81 -1.51 0.00 0.00 177.39 175.75 1pmr n PRO 11 N 2.50 -1.22 0.00 3.23 -0.04 -1.26 -5.01 135.00 133.20 1pmr n PRO 11 Ca 0.21 -1.37 0.07 0.00 -0.04 0.00 0.00 63.50 62.37 1pmr n PRO 11 Cb 0.02 -0.98 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 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 -3.11 1.83 -2.71 0.54 -0.58 -1.26 -4.72 120.64 110.63 1pmr n GLU 12 Ca 0.11 -0.70 -0.07 0.00 -0.42 0.00 0.00 57.16 56.08 1pmr n GLU 12 Cb 0.40 -1.22 0.10 0.00 -0.57 0.00 0.00 31.44 30.15 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 -0.24 -1.96 -2.97 1.62 2.88 -1.26 -5.07 113.62 106.61 1pmr n SER 13 Ca 0.06 -3.04 -0.02 0.00 -1.33 0.00 0.00 58.87 54.54 1pmr n SER 13 Cb 0.30 1.62 -0.00 0.00 -0.75 0.00 0.00 64.21 65.38 1pmr n SER 13 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1pmr s VAL 14 N 0.19 -0.97 0.50 2.46 1.01 -1.26 -4.65 120.40 117.68 1pmr s VAL 14 Ca 0.21 -0.59 0.26 0.00 0.00 0.00 0.00 61.98 61.86 1pmr s VAL 14 Cb 0.29 -0.03 0.26 0.00 0.00 0.00 0.00 36.38 36.90 1pmr s VAL 14 CO -0.09 -0.03 1.77 0.00 0.00 0.00 0.00 175.10 176.74 1pmr h ALA 15 N 5.91 1.30 -1.84 5.51 0.00 -1.97 -3.42 119.26 124.76 1pmr h ALA 15 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1pmr h ALA 15 Cb 1.14 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.72 1pmr h ALA 15 CO 0.06 -0.30 0.30 0.16 0.00 0.00 0.00 179.25 179.47 1pmr s ASP 16 N -4.18 -0.58 0.00 0.00 -4.77 -1.26 -4.49 116.67 101.39 1pmr s ASP 16 Ca -0.03 0.76 0.00 0.00 -3.30 0.00 0.00 52.55 49.98 1pmr s ASP 16 Cb 0.07 0.65 0.00 0.00 -1.09 0.00 0.00 42.92 42.55 1pmr s ASP 16 CO 0.23 -0.44 0.00 0.00 0.70 0.00 0.00 175.17 175.66 1pmr n ALA 17 N 1.25 0.00 -3.58 2.11 0.00 0.31 -4.92 120.51 115.68 1pmr n ALA 17 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 1pmr n ALA 17 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 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 1.50 -0.57 0.63 0.00 2.01 -0.99 -2.32 115.64 115.89 1pmr s THR 18 Ca 0.00 0.13 -0.17 0.00 0.31 0.00 0.00 61.69 61.95 1pmr s THR 18 Cb 0.00 -0.65 -0.06 0.00 0.01 0.00 0.00 72.50 71.80 1pmr s THR 18 CO 0.00 0.02 0.59 0.52 -0.69 0.00 0.00 174.62 175.07 1pmr n VAL 19 N 5.37 2.35 0.00 3.82 0.31 -0.76 -0.83 118.33 128.59 1pmr n VAL 19 Ca -0.07 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 1pmr n VAL 19 Cb 0.50 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 1pmr n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pmr n ALA 20 N -1.95 2.30 -3.15 3.52 0.00 0.06 -3.04 120.51 118.25 1pmr n ALA 20 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.60 1pmr n ALA 20 Cb 0.48 0.13 -0.01 0.00 0.00 0.00 0.00 19.45 20.06 1pmr n ALA 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pmr s THR 21 N -1.49 -0.80 0.00 0.00 2.01 -1.19 -4.68 115.64 109.50 1pmr s THR 21 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1pmr s THR 21 Cb 0.00 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.53 1pmr s THR 21 CO 0.00 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 174.72 1pmr n TRP 22 N 5.43 -1.81 -2.21 4.92 7.02 -1.26 -1.95 117.44 127.57 1pmr n TRP 22 Ca -0.02 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.45 1pmr n TRP 22 Cb 0.52 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.39 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 -1.71 0.00 -4.57 -5.99 8.25 -1.26 -4.80 115.22 105.14 1pmr n HIS 23 Ca 0.00 -0.43 -0.26 0.00 -0.26 0.00 0.00 57.72 56.77 1pmr n HIS 23 Cb 0.00 0.16 -0.14 0.00 1.12 0.00 0.00 29.99 31.14 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 0.00 1.39 0.04 -0.41 -0.14 -1.26 -4.81 119.74 114.54 1pmr s LYS 24 Ca 0.15 -1.06 0.00 0.00 -1.36 0.00 0.00 55.97 53.70 1pmr s LYS 24 Cb 0.17 -1.59 0.01 0.00 -1.68 0.00 0.00 37.83 34.74 1pmr s LYS 24 CO -0.07 0.39 0.05 1.63 -0.76 0.00 0.00 175.35 176.59 1pmr n LYS 25 N 1.55 0.86 -2.00 1.68 4.76 -1.26 -4.93 118.16 118.82 1pmr n LYS 25 Ca -0.18 -0.19 -0.26 0.00 -2.87 0.00 0.00 58.31 54.82 1pmr n LYS 25 Cb 0.53 -0.02 -0.06 0.00 -1.84 0.00 0.00 35.03 33.64 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 -2.28 2.37 -0.11 1.97 0.04 -1.26 -3.23 135.00 132.50 1pmr s PRO 26 Ca 0.04 -0.73 -0.00 0.00 0.04 0.00 0.00 61.00 60.34 1pmr s PRO 26 Cb -0.00 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.40 1pmr s PRO 26 CO 0.02 -3.92 0.10 0.41 0.04 0.00 0.00 177.00 173.65 1pmr n GLY 27 N 6.24 0.44 0.00 0.56 0.00 0.16 -4.82 105.19 107.76 1pmr n GLY 27 Ca 0.43 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.85 0.00 0.00 1.61 8.00 -1.20 -4.60 116.55 119.51 1pmr n ASP 28 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1pmr n ASP 28 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1pmr n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pmr n ALA 29 N -3.00 0.00 -3.21 2.24 0.00 -1.26 -4.70 120.51 110.58 1pmr n ALA 29 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 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 -0.53 -4.91 118.33 116.04 1pmr n VAL 30 Ca 0.00 -1.19 0.00 0.00 -2.96 0.00 0.00 64.34 60.19 1pmr n VAL 30 Cb 0.00 -0.58 0.00 0.00 -1.06 0.00 0.00 33.84 32.20 1pmr n VAL 30 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1pmr n VAL 31 N -1.62 0.00 -1.34 1.55 0.24 -1.26 -2.80 118.33 113.09 1pmr n VAL 31 Ca 0.07 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.04 1pmr n VAL 31 Cb 0.36 0.00 0.09 0.00 -1.47 0.00 0.00 33.84 32.82 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 2.65 -2.70 7.34 3.00 -1.26 -1.54 116.66 124.14 1pmr n ARG 32 Ca 0.00 -3.28 0.02 0.00 -0.01 0.00 0.00 57.85 54.58 1pmr n ARG 32 Cb 0.00 -2.27 0.01 0.00 0.00 0.00 0.00 32.46 30.20 1pmr n ARG 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1pmr s ASP 33 N -1.82 -0.15 0.63 0.55 1.01 -1.26 -4.88 116.67 110.75 1pmr s ASP 33 Ca 0.63 -0.08 -0.04 0.00 0.71 0.00 0.00 52.55 53.77 1pmr s ASP 33 Cb 0.50 0.20 0.04 0.00 1.01 0.00 0.00 42.92 44.67 1pmr s ASP 33 CO 0.01 -0.02 0.92 -0.70 0.21 0.00 0.00 175.17 175.59 1pmr s GLU 34 N 1.93 2.50 0.59 8.23 2.56 -0.49 -4.79 118.70 129.22 1pmr s GLU 34 Ca 0.15 -0.31 -0.11 0.00 0.00 0.00 0.00 54.97 54.69 1pmr s GLU 34 Cb 0.05 -2.28 -0.10 0.00 2.00 0.00 0.00 34.13 33.80 1pmr s GLU 34 CO -0.16 -0.94 -0.44 1.55 -0.56 0.00 0.00 175.26 174.72 1pmr n VAL 35 N -2.67 0.00 -3.18 3.70 3.14 -1.26 -3.52 118.33 114.54 1pmr n VAL 35 Ca 0.07 -0.33 -0.20 0.00 -2.96 0.00 0.00 64.34 60.92 1pmr n VAL 35 Cb 0.59 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.33 1pmr n VAL 35 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1pmr n LEU 36 N 2.16 1.00 -3.60 6.55 4.32 -1.18 -2.58 117.00 123.66 1pmr n LEU 36 Ca 0.00 -5.00 -0.34 0.00 -0.02 0.00 0.00 56.01 50.65 1pmr n LEU 36 Cb 0.35 0.60 0.03 0.00 -1.62 0.00 0.00 43.42 42.78 1pmr n LEU 36 CO 0.35 2.25 -1.72 0.55 -1.22 0.00 0.00 177.39 177.60 1pmr n VAL 37 N 0.47 0.00 -4.37 4.08 3.14 -1.22 -4.03 118.33 116.41 1pmr n VAL 37 Ca 0.25 -0.14 -0.29 0.00 -2.96 0.00 0.00 64.34 61.20 1pmr n VAL 37 Cb 0.61 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 33.27 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 -1.80 1.55 0.06 1.45 2.02 -0.82 -2.92 118.70 118.23 1pmr s GLU 38 Ca 0.34 -1.32 0.01 0.00 0.02 0.00 0.00 54.97 54.02 1pmr s GLU 38 Cb 0.02 -1.96 -0.00 0.00 0.10 0.00 0.00 34.13 32.28 1pmr s GLU 38 CO 0.64 0.45 0.04 1.51 0.02 0.00 0.00 175.26 177.92 1pmr n ILE 39 N 0.76 0.00 -3.97 -1.63 0.13 -0.96 -0.76 119.36 112.93 1pmr n ILE 39 Ca -0.16 -0.40 -0.29 0.00 -1.10 0.00 0.00 62.75 60.80 1pmr n ILE 39 Cb 0.53 0.19 -0.17 0.00 -0.84 0.00 0.00 39.64 39.36 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 -2.23 1.93 0.00 9.51 2.02 -0.01 -4.43 118.70 125.50 1pmr s GLU 40 Ca 0.06 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.63 1pmr s GLU 40 Cb 0.00 -1.87 0.00 0.00 0.10 0.00 0.00 34.13 32.36 1pmr s GLU 40 CO 0.04 -0.25 0.00 2.41 0.02 0.00 0.00 175.26 177.48 1pmr n THR 41 N 4.85 0.00 -2.53 3.63 -1.04 -0.66 -2.35 114.28 116.18 1pmr n THR 41 Ca -0.15 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.43 1pmr n THR 41 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 1pmr n THR 41 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1pmr n ASP 42 N 0.00 5.24 0.00 8.00 2.03 -1.26 -4.44 116.55 126.12 1pmr n ASP 42 Ca 0.00 -3.11 0.00 0.00 0.52 0.00 0.00 54.79 52.20 1pmr n ASP 42 Cb 0.00 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 38.93 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 3.94 0.00 -3.94 -0.67 4.81 -1.26 -5.00 118.16 116.04 1pmr n LYS 43 Ca 0.38 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.61 1pmr n LYS 43 Cb 0.37 -0.43 -0.02 0.00 0.02 0.00 0.00 35.03 34.97 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 -1.51 5.07 -0.26 3.15 1.01 -1.26 -5.09 120.40 121.51 1pmr s VAL 44 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1pmr s VAL 44 Cb 0.00 -3.77 0.08 0.00 0.00 0.00 0.00 36.38 32.68 1pmr s VAL 44 CO 0.00 -0.32 0.01 -0.69 0.00 0.00 0.00 175.10 174.10 1pmr s VAL 45 N -2.01 1.32 0.75 2.92 1.01 -1.26 -1.66 120.40 121.47 1pmr s VAL 45 Ca 0.35 -1.32 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 1pmr s VAL 45 Cb -0.09 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.56 1pmr s VAL 45 CO 0.29 -0.32 1.12 -0.76 0.00 0.00 0.00 175.10 175.43 1pmr s LEU 46 N 1.45 2.73 0.00 3.92 1.43 -1.26 -4.78 118.68 122.17 1pmr s LEU 46 Ca 0.01 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1pmr s LEU 46 Cb -0.18 -3.72 0.00 0.00 0.03 0.00 0.00 46.19 42.32 1pmr s LEU 46 CO -0.11 -1.59 0.00 -1.84 0.23 0.00 0.00 176.35 173.03 1pmr n GLU 47 N -3.16 2.11 -3.30 1.70 0.28 -1.26 -2.27 120.64 114.75 1pmr n GLU 47 Ca 0.07 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.98 1pmr n GLU 47 Cb 0.58 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.40 1pmr n GLU 47 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1pmr s VAL 48 N -0.32 -0.60 -0.17 3.84 0.11 -1.15 -4.82 120.40 117.30 1pmr s VAL 48 Ca 0.00 -0.56 -0.26 0.00 -2.93 0.00 0.00 61.98 58.23 1pmr s VAL 48 Cb 0.00 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.35 1pmr s VAL 48 CO 0.00 -0.34 0.87 -2.16 -3.33 0.00 0.00 175.10 170.14 1pmr s PRO 49 N 1.72 4.31 0.53 1.54 0.04 -1.19 -3.11 135.00 138.85 1pmr s PRO 49 Ca 0.16 1.09 0.06 0.00 0.04 0.00 0.00 61.00 62.35 1pmr s PRO 49 Cb -0.11 -3.58 0.05 0.00 0.04 0.00 0.00 34.50 30.91 1pmr s PRO 49 CO -0.08 -0.35 0.73 0.00 0.04 0.00 0.00 177.00 177.34 1pmr s ALA 50 N 2.22 4.35 -0.68 8.56 0.00 -1.06 -4.90 121.76 130.24 1pmr s ALA 50 Ca 0.40 -1.75 0.05 0.00 0.00 0.00 0.00 51.96 50.66 1pmr s ALA 50 Cb -0.17 -1.72 0.21 0.00 0.00 0.00 0.00 23.12 21.44 1pmr s ALA 50 CO 0.13 -0.70 0.62 -1.13 0.00 0.00 0.00 175.76 174.67 1pmr n SER 51 N -2.19 3.37 0.00 0.00 3.41 -1.26 -1.40 113.62 115.55 1pmr n SER 51 Ca 0.11 -3.32 0.00 0.00 -0.26 0.00 0.00 58.87 55.40 1pmr n SER 51 Cb 0.60 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 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 1.43 0.00 -0.62 7.33 0.00 -0.59 -4.89 120.51 123.17 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 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.05 0.00 0.00 0.00 8.00 -1.12 -4.80 116.55 117.57 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 0.00 3.52 0.44 0.00 -1.26 -1.45 105.19 106.44 1pmr n GLY 54 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.36 -0.03 -1.35 -0.61 5.41 -1.26 -4.58 119.36 115.57 1pmr n ILE 55 Ca 0.00 -0.33 -0.54 0.00 1.00 0.00 0.00 62.75 62.88 1pmr n ILE 55 Cb 0.21 -1.26 -0.11 0.00 -0.71 0.00 0.00 39.64 37.77 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 12.19 1.13 0.00 1.39 7.94 -1.25 -2.64 117.00 135.75 1pmr n LEU 56 Ca 0.56 0.48 0.00 0.00 -1.11 0.00 0.00 56.01 55.94 1pmr n LEU 56 Cb 0.23 -1.03 0.00 0.00 0.53 0.00 0.00 43.42 43.14 1pmr n LEU 56 CO 0.86 -0.78 -0.20 -0.67 -1.11 0.00 0.00 177.39 175.49 1pmr n ASP 57 N 8.94 1.81 -3.16 1.96 2.03 -1.21 -0.67 116.55 126.26 1pmr n ASP 57 Ca 0.52 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.62 1pmr n ASP 57 Cb 0.07 0.10 -0.04 0.00 -0.72 0.00 0.00 41.12 40.52 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 -1.52 2.64 -2.56 -1.67 0.00 0.13 -4.97 120.51 112.57 1pmr n ALA 58 Ca 0.00 -3.69 -0.42 0.00 0.00 0.00 0.00 53.44 49.33 1pmr n ALA 58 Cb 0.20 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 -2.51 4.04 -1.33 0.00 1.01 -1.23 -0.84 120.40 119.54 1pmr s VAL 59 Ca 0.40 -1.51 0.20 0.00 0.00 0.00 0.00 61.98 61.08 1pmr s VAL 59 Cb 0.29 -5.13 0.31 0.00 0.00 0.00 0.00 36.38 31.85 1pmr s VAL 59 CO -0.09 -1.97 1.64 0.18 0.00 0.00 0.00 175.10 174.86 1pmr n LEU 60 N 8.73 0.00 -2.45 3.92 4.77 -1.14 -3.13 117.00 127.70 1pmr n LEU 60 Ca 0.44 0.33 -0.22 0.00 -0.03 0.00 0.00 56.01 56.53 1pmr n LEU 60 Cb 0.48 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1pmr n LEU 60 CO 0.73 -0.11 0.13 -0.62 -1.33 0.00 0.00 177.39 176.19 1pmr n GLU 61 N -1.33 3.01 -1.57 3.23 1.02 0.29 -4.93 120.64 120.36 1pmr n GLU 61 Ca 0.09 -4.20 -0.46 0.00 -0.02 0.00 0.00 57.16 52.57 1pmr n GLU 61 Cb 0.18 -2.06 -0.02 0.00 -0.02 0.00 0.00 31.44 29.52 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 -0.46 1.06 -1.48 1.62 9.92 -1.18 -4.57 116.55 121.45 1pmr n ASP 62 Ca 0.34 1.17 -0.15 0.00 -0.53 0.00 0.00 54.79 55.62 1pmr n ASP 62 Cb 0.74 -1.24 -0.00 0.00 -0.64 0.00 0.00 41.12 39.98 1pmr n ASP 62 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1pmr n GLU 63 N 0.93 0.00 0.00 -1.24 -0.58 -1.26 -2.41 120.64 116.08 1pmr n GLU 63 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1pmr n GLU 63 Cb 0.30 -0.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.83 1pmr n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pmr n GLY 64 N 0.78 1.47 3.89 0.62 0.00 -1.17 -4.95 105.19 105.83 1pmr n GLY 64 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.32 4.93 0.69 2.61 2.01 -1.01 -4.87 115.64 117.68 1pmr s THR 65 Ca 0.00 0.29 -0.11 0.00 0.31 0.00 0.00 61.69 62.18 1pmr s THR 65 Cb 0.00 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.79 1pmr s THR 65 CO 0.00 -0.36 1.06 -0.89 -0.69 0.00 0.00 174.62 173.74 1pmr s THR 66 N -2.15 4.02 0.30 -0.82 2.01 -1.26 -1.83 115.64 115.92 1pmr s THR 66 Ca 0.47 0.66 -0.08 0.00 0.31 0.00 0.00 61.69 63.04 1pmr s THR 66 Cb -0.11 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.90 1pmr s THR 66 CO 0.29 -0.86 0.50 0.54 -0.69 0.00 0.00 174.62 174.41 1pmr s VAL 67 N -3.14 0.00 0.00 3.82 0.11 -0.98 -4.77 120.40 115.44 1pmr s VAL 67 Ca 0.58 -1.47 0.00 0.00 -2.93 0.00 0.00 61.98 58.16 1pmr s VAL 67 Cb -0.13 -2.49 0.00 0.00 -1.53 0.00 0.00 36.38 32.23 1pmr s VAL 67 CO 0.54 0.00 0.00 1.07 -3.33 0.00 0.00 175.10 173.38 1pmr n THR 68 N -0.48 0.00 -0.66 5.04 5.66 -1.26 -0.53 114.28 122.05 1pmr n THR 68 Ca -0.01 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.82 1pmr n THR 68 Cb 0.62 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.46 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 -1.59 5.42 0.00 1.09 7.64 -1.21 -3.95 113.62 121.01 1pmr n SER 69 Ca 0.00 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.84 1pmr n SER 69 Cb 0.00 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1pmr n SER 69 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1pmr n ARG 70 N -0.00 0.00 -4.22 1.43 0.00 0.17 -3.95 116.66 110.09 1pmr n ARG 70 Ca 0.33 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.86 1pmr n ARG 70 Cb 0.79 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 33.16 1pmr n ARG 70 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1pmr s GLN 71 N 0.00 2.83 -0.41 -0.14 -1.52 -1.25 -4.77 119.66 114.41 1pmr s GLN 71 Ca 0.00 -0.61 -0.24 0.00 -1.95 0.00 0.00 55.36 52.57 1pmr s GLN 71 Cb 0.00 -2.70 0.02 0.00 -0.22 0.00 0.00 33.01 30.10 1pmr s GLN 71 CO 0.00 0.62 0.83 -1.50 -0.25 0.00 0.00 175.29 174.99 1pmr s ILE 72 N -1.14 4.63 0.61 1.08 2.07 -1.26 -0.02 121.20 127.17 1pmr s ILE 72 Ca 0.21 0.77 0.29 0.00 -1.41 0.00 0.00 60.65 60.51 1pmr s ILE 72 Cb -0.12 -4.30 0.36 0.00 0.13 0.00 0.00 42.46 38.53 1pmr s ILE 72 CO 0.12 -0.61 1.97 -0.07 -1.91 0.00 0.00 174.94 174.44 1pmr h LEU 73 N 10.07 0.00 0.00 8.50 3.38 -0.39 -3.44 115.31 133.43 1pmr h LEU 73 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1pmr h LEU 73 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1pmr h LEU 73 CO 0.96 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.10 1pmr n GLY 74 N -1.40 0.87 3.20 0.83 0.00 -1.18 0.11 105.19 107.63 1pmr n GLY 74 Ca 0.04 -1.87 -0.22 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.00 1.09 0.00 1.61 1.70 -0.02 -2.58 118.95 118.75 1pmr s ARG 75 Ca 0.00 -0.91 0.00 0.00 -0.47 0.00 0.00 55.73 54.35 1pmr s ARG 75 Cb 0.00 -1.17 0.00 0.00 -0.57 0.00 0.00 34.95 33.21 1pmr s ARG 75 CO 0.00 0.29 0.00 1.28 -1.08 0.00 0.00 175.30 175.79 1pmr n LEU 76 N 1.66 0.00 -3.92 -1.89 4.32 -1.16 0.22 117.00 116.24 1pmr n LEU 76 Ca -0.18 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.72 1pmr n LEU 76 Cb 0.54 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.26 1pmr n LEU 76 CO 0.23 0.00 -0.17 -0.60 -1.22 0.00 0.00 177.39 175.62 1pmr s ARG 77 N 0.27 0.72 0.21 3.23 3.52 -1.08 -3.32 118.95 122.49 1pmr s ARG 77 Ca 0.00 -0.91 0.08 0.00 -0.13 0.00 0.00 55.73 54.77 1pmr s ARG 77 Cb 0.00 0.28 -0.04 0.00 -1.56 0.00 0.00 34.95 33.63 1pmr s ARG 77 CO 0.00 -0.20 0.03 -2.00 -0.81 0.00 0.00 175.30 172.32 1pmr s GLU 78 N -3.38 2.46 -0.28 5.12 -6.30 -1.26 -2.52 118.70 112.54 1pmr s GLU 78 Ca 0.01 -1.18 -0.01 0.00 -2.50 0.00 0.00 54.97 51.30 1pmr s GLU 78 Cb 0.03 -2.34 0.17 0.00 0.00 0.00 0.00 34.13 31.99 1pmr s GLU 78 CO -0.08 0.42 0.51 0.20 0.02 0.00 0.00 175.26 176.33 1pmr s GLY 79 N -3.28 -0.80 0.00 -1.50 0.00 -1.26 -4.91 107.32 95.57 1pmr s GLY 79 Ca 0.29 1.30 0.27 0.00 0.00 0.00 0.00 44.72 46.59 1pmr s GLY 79 CO 0.20 3.15 1.62 1.16 0.00 0.00 0.00 173.10 179.23