#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 0.09 -1.26 6.43 0.01 -1.26 -1.72 113.70 115.99 1pmr s SER 2 Ca 0.00 -1.02 -0.19 0.00 1.31 0.00 0.00 55.95 56.06 1pmr s SER 2 Cb 0.00 0.69 0.01 0.00 0.21 0.00 0.00 66.02 66.93 1pmr s SER 2 CO 0.00 -1.33 1.88 0.52 0.41 0.00 0.00 173.24 174.71 1pmr n VAL 3 N -0.46 3.26 -2.25 3.43 0.31 -1.21 -4.36 118.33 117.05 1pmr n VAL 3 Ca -0.03 -3.27 -0.33 0.00 -0.01 0.00 0.00 64.34 60.70 1pmr n VAL 3 Cb 0.61 -2.35 -0.04 0.00 -0.91 0.00 0.00 33.84 31.15 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 4.63 5.68 0.11 4.52 1.11 -1.26 -2.93 116.67 128.53 1pmr s ASP 4 Ca 0.56 -1.49 0.04 0.00 0.18 0.00 0.00 52.55 51.85 1pmr s ASP 4 Cb 0.05 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.43 1pmr s ASP 4 CO 0.07 -2.33 0.07 -0.51 1.18 0.00 0.00 175.17 173.65 1pmr s ILE 5 N 8.34 4.36 0.00 0.77 1.10 -0.89 -5.00 121.20 129.88 1pmr s ILE 5 Ca 0.62 -0.95 0.00 0.00 -0.51 0.00 0.00 60.65 59.81 1pmr s ILE 5 Cb -0.01 -3.14 0.00 0.00 0.15 0.00 0.00 42.46 39.46 1pmr s ILE 5 CO 0.04 0.04 0.00 0.00 -2.11 0.00 0.00 174.94 172.91 1pmr n LEU 6 N 0.20 0.00 -3.46 8.50 -0.00 -1.26 0.44 117.00 121.42 1pmr n LEU 6 Ca -0.09 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.65 1pmr n LEU 6 Cb 0.53 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.86 1pmr n LEU 6 CO 0.43 0.00 -0.06 0.52 -0.00 0.00 0.00 177.39 178.28 1pmr n VAL 7 N 0.00 1.26 0.89 1.47 0.31 -1.07 -4.70 118.33 116.51 1pmr n VAL 7 Ca 0.00 -4.74 -0.01 0.00 -0.01 0.00 0.00 64.34 59.58 1pmr n VAL 7 Cb 0.00 -2.05 0.01 0.00 -0.91 0.00 0.00 33.84 30.89 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 1.35 1.10 -3.38 5.55 -0.04 -1.26 -1.58 135.00 136.73 1pmr n PRO 8 Ca 0.26 -0.15 -0.32 0.00 -0.04 0.00 0.00 63.50 63.25 1pmr n PRO 8 Cb 0.43 -1.19 -0.06 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.31 4.45 -2.86 3.54 9.92 -1.26 -4.82 116.55 125.83 1pmr n ASP 9 Ca 0.03 -3.38 -0.12 0.00 -0.53 0.00 0.00 54.79 50.79 1pmr n ASP 9 Cb 0.49 -0.88 0.05 0.00 -0.64 0.00 0.00 41.12 40.13 1pmr n ASP 9 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1pmr n LEU 10 N 1.25 -1.56 0.00 0.64 4.77 -1.26 -4.90 117.00 115.93 1pmr n LEU 10 Ca 0.27 -4.00 0.00 0.00 -0.03 0.00 0.00 56.01 52.25 1pmr n LEU 10 Cb 0.38 0.86 0.00 0.00 -2.33 0.00 0.00 43.42 42.33 1pmr n LEU 10 CO 0.47 2.12 0.00 -0.81 -1.33 0.00 0.00 177.39 177.84 1pmr n PRO 11 N 0.59 1.14 0.00 3.23 -0.04 -1.26 -3.89 135.00 134.77 1pmr n PRO 11 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1pmr n PRO 11 Cb 0.67 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.13 1pmr n PRO 11 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1pmr n GLU 12 N 0.00 0.00 -1.10 0.54 2.13 -1.26 -2.59 120.64 118.35 1pmr n GLU 12 Ca 0.00 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 1pmr n GLU 12 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 1pmr n GLU 12 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1pmr n SER 13 N -3.35 5.91 -3.19 4.31 7.64 -1.26 -4.50 113.62 119.18 1pmr n SER 13 Ca 0.00 -2.84 -0.22 0.00 1.01 0.00 0.00 58.87 56.83 1pmr n SER 13 Cb 0.00 -1.26 -0.06 0.00 -1.01 0.00 0.00 64.21 61.88 1pmr n SER 13 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1pmr n VAL 14 N 1.43 -0.78 -1.32 0.44 0.31 -1.07 -4.99 118.33 112.35 1pmr n VAL 14 Ca 0.38 -3.20 -0.23 0.00 -0.01 0.00 0.00 64.34 61.28 1pmr n VAL 14 Cb 0.68 -1.18 -0.05 0.00 -0.91 0.00 0.00 33.84 32.38 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 2.20 6.17 -3.54 3.52 0.00 -1.25 -4.26 120.51 123.35 1pmr n ALA 15 Ca 0.23 -2.64 -0.15 0.00 0.00 0.00 0.00 53.44 50.88 1pmr n ALA 15 Cb 0.52 -2.00 -0.07 0.00 0.00 0.00 0.00 19.45 17.90 1pmr n ALA 15 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1pmr s ASP 16 N 0.48 -0.66 0.00 0.00 1.47 -1.26 -3.95 116.67 112.75 1pmr s ASP 16 Ca 0.54 1.05 0.00 0.00 1.18 0.00 0.00 52.55 55.32 1pmr s ASP 16 Cb 0.35 1.00 0.00 0.00 -0.34 0.00 0.00 42.92 43.93 1pmr s ASP 16 CO -0.16 -0.39 0.00 0.00 0.68 0.00 0.00 175.17 175.30 1pmr n ALA 17 N 1.94 0.00 -3.67 2.11 0.00 -0.64 -4.60 120.51 115.65 1pmr n ALA 17 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 1pmr n ALA 17 Cb 0.56 0.00 -0.08 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 -1.39 -0.31 -0.77 0.00 2.01 -0.50 -2.79 115.64 111.89 1pmr s THR 18 Ca 0.00 0.07 -0.25 0.00 0.31 0.00 0.00 61.69 61.82 1pmr s THR 18 Cb 0.00 -0.78 -0.06 0.00 0.01 0.00 0.00 72.50 71.67 1pmr s THR 18 CO 0.00 0.03 2.04 -0.69 -0.69 0.00 0.00 174.62 175.31 1pmr s VAL 19 N 1.97 3.31 0.07 3.82 1.01 -1.11 -0.90 120.40 128.57 1pmr s VAL 19 Ca -0.07 -0.12 -0.36 0.00 0.00 0.00 0.00 61.98 61.42 1pmr s VAL 19 Cb -0.09 -3.74 -0.19 0.00 0.00 0.00 0.00 36.38 32.37 1pmr s VAL 19 CO -0.16 -0.70 1.58 0.00 0.00 0.00 0.00 175.10 175.82 1pmr h ALA 20 N 13.28 -1.20 -1.52 5.51 0.00 -0.38 0.48 119.26 135.42 1pmr h ALA 20 Ca -0.05 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.74 1pmr h ALA 20 Cb 1.07 0.58 -0.24 0.00 0.00 0.00 0.00 17.79 19.20 1pmr h ALA 20 CO 1.17 -1.19 0.21 0.99 0.00 0.00 0.00 179.25 180.43 1pmr s THR 21 N -5.96 -0.29 0.00 0.00 2.01 -1.13 -4.30 115.64 105.97 1pmr s THR 21 Ca -0.19 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1pmr s THR 21 Cb 0.03 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.54 1pmr s THR 21 CO 0.61 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 175.33 1pmr n TRP 22 N 4.42 -1.70 -2.72 4.92 7.02 -1.26 -2.43 117.44 125.68 1pmr n TRP 22 Ca -0.15 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.25 1pmr n TRP 22 Cb 0.55 0.00 0.09 0.00 -2.42 0.00 0.00 31.31 29.53 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 -1.62 -1.60 -4.38 -5.99 8.25 -1.26 -4.81 115.22 103.81 1pmr n HIS 23 Ca 0.00 -2.22 -0.20 0.00 -0.26 0.00 0.00 57.72 55.04 1pmr n HIS 23 Cb 0.00 1.08 -0.09 0.00 1.12 0.00 0.00 29.99 32.10 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 -0.65 1.68 0.22 -0.41 -0.14 -1.26 -4.79 119.74 114.40 1pmr s LYS 24 Ca 0.24 -1.98 0.01 0.00 -1.36 0.00 0.00 55.97 52.89 1pmr s LYS 24 Cb 0.40 -0.24 -0.01 0.00 -1.68 0.00 0.00 37.83 36.31 1pmr s LYS 24 CO -0.06 -0.45 0.05 1.63 -0.76 0.00 0.00 175.35 175.77 1pmr n LYS 25 N -0.66 0.93 -2.02 1.68 4.76 -1.26 -5.04 118.16 116.55 1pmr n LYS 25 Ca -0.00 -1.79 -0.41 0.00 -2.87 0.00 0.00 58.31 53.23 1pmr n LYS 25 Cb 0.65 0.83 -0.03 0.00 -1.84 0.00 0.00 35.03 34.64 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 -2.83 3.09 -0.94 1.97 0.04 -1.26 -3.09 135.00 131.97 1pmr s PRO 26 Ca 0.08 1.14 -0.03 0.00 0.04 0.00 0.00 61.00 62.23 1pmr s PRO 26 Cb 0.00 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.29 1pmr s PRO 26 CO 0.05 -2.16 0.80 0.41 0.04 0.00 0.00 177.00 176.14 1pmr n GLY 27 N 5.51 -0.15 0.00 0.56 0.00 -1.00 -4.82 105.19 105.28 1pmr n GLY 27 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.27 -1.08 -2.77 1.61 9.92 -1.18 -4.50 116.55 116.28 1pmr n ASP 28 Ca -0.12 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.10 1pmr n ASP 28 Cb 0.59 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.09 1pmr n ASP 28 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pmr s ALA 29 N -2.07 -2.70 1.01 2.24 0.00 -1.24 -3.02 121.76 115.98 1pmr s ALA 29 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.78 1pmr s ALA 29 Cb 0.00 -2.79 0.07 0.00 0.00 0.00 0.00 23.12 20.41 1pmr s ALA 29 CO 0.00 -2.31 0.41 1.55 0.00 0.00 0.00 175.76 175.42 1pmr n VAL 30 N 2.97 0.00 0.00 0.00 3.14 0.37 -4.84 118.33 119.96 1pmr n VAL 30 Ca 0.16 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 1pmr n VAL 30 Cb 0.58 -1.77 0.00 0.00 -1.06 0.00 0.00 33.84 31.59 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 -2.64 0.00 -1.28 1.55 0.24 -1.26 -2.89 118.33 112.05 1pmr n VAL 31 Ca 0.05 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.05 1pmr n VAL 31 Cb 0.18 0.00 0.12 0.00 -1.47 0.00 0.00 33.84 32.67 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 2.50 -2.65 7.34 1.74 -1.26 -0.57 116.66 123.76 1pmr n ARG 32 Ca 0.00 -3.15 -0.02 0.00 -0.77 0.00 0.00 57.85 53.91 1pmr n ARG 32 Cb 0.00 -2.23 0.03 0.00 -1.02 0.00 0.00 32.46 29.24 1pmr n ARG 32 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pmr s ASP 33 N -1.59 -0.03 0.00 0.55 1.01 -1.26 -4.85 116.67 110.50 1pmr s ASP 33 Ca 0.61 -0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.84 1pmr s ASP 33 Cb 0.49 0.04 0.00 0.00 1.01 0.00 0.00 42.92 44.46 1pmr s ASP 33 CO 0.04 -0.00 0.00 1.21 0.21 0.00 0.00 175.17 176.63 1pmr n GLU 34 N 2.69 1.00 -0.79 8.23 2.13 -0.59 -4.82 120.64 128.49 1pmr n GLU 34 Ca 0.09 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.61 1pmr n GLU 34 Cb 0.66 0.00 0.18 0.00 0.27 0.00 0.00 31.44 32.55 1pmr n GLU 34 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1pmr s VAL 35 N -0.00 2.27 -0.38 6.31 0.11 -1.26 -4.39 120.40 123.05 1pmr s VAL 35 Ca 0.00 0.09 0.12 0.00 -2.93 0.00 0.00 61.98 59.25 1pmr s VAL 35 Cb 0.00 -2.23 0.35 0.00 -1.53 0.00 0.00 36.38 32.97 1pmr s VAL 35 CO 0.00 -0.11 0.75 0.18 -3.33 0.00 0.00 175.10 172.59 1pmr n LEU 36 N -4.30 1.13 -3.70 2.54 4.32 -1.21 -2.69 117.00 113.09 1pmr n LEU 36 Ca 0.08 -5.03 -0.35 0.00 -0.02 0.00 0.00 56.01 50.69 1pmr n LEU 36 Cb 0.53 0.62 0.03 0.00 -1.62 0.00 0.00 43.42 42.98 1pmr n LEU 36 CO 0.53 2.28 -1.71 0.55 -1.22 0.00 0.00 177.39 177.81 1pmr n VAL 37 N 0.23 0.00 -4.97 4.08 3.14 -1.24 -4.08 118.33 115.49 1pmr n VAL 37 Ca 0.25 -0.17 -0.27 0.00 -2.96 0.00 0.00 64.34 61.19 1pmr n VAL 37 Cb 0.64 0.00 -0.15 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 -1.85 1.65 0.32 1.45 2.02 -1.02 -2.97 118.70 118.30 1pmr s GLU 38 Ca 0.35 -0.78 0.02 0.00 0.02 0.00 0.00 54.97 54.58 1pmr s GLU 38 Cb 0.00 -1.62 -0.01 0.00 0.10 0.00 0.00 34.13 32.60 1pmr s GLU 38 CO 0.67 0.44 0.08 1.51 0.02 0.00 0.00 175.26 177.98 1pmr n ILE 39 N 2.45 0.00 -3.67 -1.63 0.13 -1.16 0.35 119.36 115.83 1pmr n ILE 39 Ca -0.16 -1.76 -0.23 0.00 -1.10 0.00 0.00 62.75 59.50 1pmr n ILE 39 Cb 0.53 0.57 -0.17 0.00 -0.84 0.00 0.00 39.64 39.72 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 -3.20 0.15 -0.08 9.51 0.41 -0.08 -3.98 118.70 121.43 1pmr s GLU 40 Ca 0.12 0.11 0.09 0.00 -0.41 0.00 0.00 54.97 54.88 1pmr s GLU 40 Cb 0.01 -1.17 -0.13 0.00 -1.78 0.00 0.00 34.13 31.05 1pmr s GLU 40 CO 0.08 -0.47 0.08 -2.37 -0.49 0.00 0.00 175.26 172.09 1pmr n THR 41 N 5.24 0.55 0.00 3.63 5.66 -1.04 -1.41 114.28 126.91 1pmr n THR 41 Ca -0.06 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 1pmr n THR 41 Cb 0.49 -0.53 0.00 0.00 -1.55 0.00 0.00 70.33 68.74 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 -2.27 0.00 0.00 1.09 2.03 -1.26 -4.86 116.55 111.28 1pmr n ASP 42 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1pmr n ASP 42 Cb 0.72 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.12 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 -4.12 -0.67 4.81 -1.26 -4.98 118.16 111.94 1pmr n LYS 43 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.09 1pmr n LYS 43 Cb 0.00 -0.36 -0.09 0.00 0.02 0.00 0.00 35.03 34.60 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 -1.24 4.79 -0.29 3.15 1.01 -1.26 -5.08 120.40 121.49 1pmr s VAL 44 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1pmr s VAL 44 Cb 0.00 -3.08 0.06 0.00 0.00 0.00 0.00 36.38 33.35 1pmr s VAL 44 CO 0.00 0.56 -0.03 -0.69 0.00 0.00 0.00 175.10 174.94 1pmr s VAL 45 N -0.53 2.69 0.00 2.92 1.01 -1.26 -2.50 120.40 122.73 1pmr s VAL 45 Ca 0.10 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.55 1pmr s VAL 45 Cb -0.12 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1pmr s VAL 45 CO 0.02 -0.12 0.00 0.18 0.00 0.00 0.00 175.10 175.18 1pmr n LEU 46 N 4.54 0.00 0.00 3.92 7.99 -1.26 -4.76 117.00 127.44 1pmr n LEU 46 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.88 1pmr n LEU 46 Cb 0.43 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.74 1pmr n LEU 46 CO 0.25 -0.44 0.00 -1.84 -1.51 0.00 0.00 177.39 173.85 1pmr n GLU 47 N -0.87 0.00 -3.00 3.23 0.28 -1.26 -2.97 120.64 116.06 1pmr n GLU 47 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.92 1pmr n GLU 47 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 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 -1.97 -0.74 -0.29 3.84 0.11 -1.16 -4.82 120.40 115.37 1pmr s VAL 48 Ca 0.00 -1.05 -0.27 0.00 -2.93 0.00 0.00 61.98 57.73 1pmr s VAL 48 Cb 0.00 -0.24 0.01 0.00 -1.53 0.00 0.00 36.38 34.62 1pmr s VAL 48 CO 0.00 -0.24 0.98 -2.16 -3.33 0.00 0.00 175.10 170.36 1pmr s PRO 49 N 0.99 4.11 0.79 1.54 0.04 -1.16 -3.29 135.00 138.02 1pmr s PRO 49 Ca 0.26 1.04 -0.04 0.00 0.04 0.00 0.00 61.00 62.30 1pmr s PRO 49 Cb -0.02 -3.70 0.15 0.00 0.04 0.00 0.00 34.50 30.98 1pmr s PRO 49 CO -0.07 -0.75 1.09 0.00 0.04 0.00 0.00 177.00 177.31 1pmr s ALA 50 N 3.31 3.38 -0.62 8.56 0.00 -1.09 -4.85 121.76 130.45 1pmr s ALA 50 Ca 0.41 -1.69 0.06 0.00 0.00 0.00 0.00 51.96 50.75 1pmr s ALA 50 Cb -0.14 -2.14 0.23 0.00 0.00 0.00 0.00 23.12 21.07 1pmr s ALA 50 CO 0.11 -1.75 0.65 -1.13 0.00 0.00 0.00 175.76 173.65 1pmr n SER 51 N -3.08 3.08 0.00 0.00 3.41 -1.26 -1.54 113.62 114.23 1pmr n SER 51 Ca 0.16 -3.28 0.00 0.00 -0.26 0.00 0.00 58.87 55.49 1pmr n SER 51 Cb 0.60 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 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 1.24 0.00 -0.51 7.33 0.00 0.27 -4.86 120.51 123.98 1pmr n ALA 52 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1pmr n ALA 52 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.84 0.00 0.00 0.00 8.00 -1.14 -4.78 116.55 117.79 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 1.29 2.80 0.44 0.00 -0.85 -0.48 105.19 108.39 1pmr n GLY 54 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.63 0.00 -1.46 -0.61 5.41 -1.17 -4.29 119.36 115.61 1pmr n ILE 55 Ca 0.00 -0.04 -0.46 0.00 1.00 0.00 0.00 62.75 63.26 1pmr n ILE 55 Cb 0.00 -0.36 -0.09 0.00 -0.71 0.00 0.00 39.64 38.48 1pmr n ILE 55 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1pmr n LEU 56 N 8.05 1.49 -0.08 1.39 7.99 -1.26 -3.05 117.00 131.52 1pmr n LEU 56 Ca 0.53 0.16 -0.16 0.00 -0.01 0.00 0.00 56.01 56.53 1pmr n LEU 56 Cb 0.03 -1.20 -0.06 0.00 -0.11 0.00 0.00 43.42 42.08 1pmr n LEU 56 CO 0.76 -0.92 -1.06 -0.67 -1.51 0.00 0.00 177.39 174.00 1pmr n ASP 57 N 11.17 1.48 -3.24 -1.43 2.03 -1.25 -2.38 116.55 122.94 1pmr n ASP 57 Ca 0.49 0.15 -0.14 0.00 0.52 0.00 0.00 54.79 55.80 1pmr n ASP 57 Cb 0.21 -0.44 -0.06 0.00 -0.72 0.00 0.00 41.12 40.12 1pmr n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pmr s ALA 58 N -2.30 -0.63 -1.08 -1.67 0.00 -0.07 -5.01 121.76 110.98 1pmr s ALA 58 Ca -0.23 -1.02 -0.22 0.00 0.00 0.00 0.00 51.96 50.50 1pmr s ALA 58 Cb 0.08 -2.18 0.05 0.00 0.00 0.00 0.00 23.12 21.08 1pmr s ALA 58 CO 0.30 -2.15 1.53 0.08 0.00 0.00 0.00 175.76 175.52 1pmr s VAL 59 N 1.12 3.96 -1.61 0.00 1.01 -1.26 -1.62 120.40 122.00 1pmr s VAL 59 Ca 0.22 -1.02 0.15 0.00 0.00 0.00 0.00 61.98 61.33 1pmr s VAL 59 Cb -0.08 -5.08 0.31 0.00 0.00 0.00 0.00 36.38 31.53 1pmr s VAL 59 CO -0.06 -1.94 1.37 0.18 0.00 0.00 0.00 175.10 174.64 1pmr n LEU 60 N 8.87 0.00 -2.68 3.92 4.77 -0.93 -2.84 117.00 128.11 1pmr n LEU 60 Ca 0.37 0.20 -0.17 0.00 -0.03 0.00 0.00 56.01 56.38 1pmr n LEU 60 Cb 0.50 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1pmr n LEU 60 CO 0.68 -0.10 -0.02 -0.62 -1.33 0.00 0.00 177.39 176.00 1pmr n GLU 61 N -1.20 1.96 -1.50 3.23 1.02 0.51 -4.90 120.64 119.77 1pmr n GLU 61 Ca 0.08 -3.76 -0.57 0.00 -0.02 0.00 0.00 57.16 52.89 1pmr n GLU 61 Cb 0.09 -1.67 -0.07 0.00 -0.02 0.00 0.00 31.44 29.78 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 -0.16 -0.03 -3.76 1.62 8.00 -1.13 -4.58 116.55 116.51 1pmr n ASP 62 Ca 0.21 1.15 -0.52 0.00 0.71 0.00 0.00 54.79 56.34 1pmr n ASP 62 Cb 0.73 -0.94 -0.08 0.00 -0.02 0.00 0.00 41.12 40.81 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 1.51 0.00 0.00 -1.24 0.28 -1.26 -2.55 120.64 117.37 1pmr n GLU 63 Ca 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.20 1pmr n GLU 63 Cb 0.11 -1.21 0.00 0.00 1.43 0.00 0.00 31.44 31.77 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 2.54 1.37 3.93 -1.84 0.00 0.17 -4.90 105.19 106.46 1pmr n GLY 64 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.59 4.33 0.79 2.61 2.01 -1.06 -4.87 115.64 117.87 1pmr s THR 65 Ca 0.00 -0.21 -0.11 0.00 0.31 0.00 0.00 61.69 61.68 1pmr s THR 65 Cb 0.00 -3.63 0.07 0.00 0.01 0.00 0.00 72.50 68.95 1pmr s THR 65 CO 0.00 -0.53 1.09 -0.89 -0.69 0.00 0.00 174.62 173.60 1pmr s THR 66 N -2.66 3.24 0.28 -0.82 2.01 -1.26 -2.77 115.64 113.66 1pmr s THR 66 Ca 0.48 0.40 -0.09 0.00 0.31 0.00 0.00 61.69 62.79 1pmr s THR 66 Cb -0.10 -3.01 -0.00 0.00 0.01 0.00 0.00 72.50 69.40 1pmr s THR 66 CO 0.41 -0.53 0.47 0.54 -0.69 0.00 0.00 174.62 174.82 1pmr s VAL 67 N -3.01 0.00 0.00 3.82 0.11 -1.12 -4.77 120.40 115.44 1pmr s VAL 67 Ca 0.61 -1.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 1pmr s VAL 67 Cb -0.16 -2.40 0.00 0.00 -1.53 0.00 0.00 36.38 32.29 1pmr s VAL 67 CO 0.56 0.00 0.00 1.07 -3.33 0.00 0.00 175.10 173.40 1pmr n THR 68 N -0.44 0.00 -0.44 5.04 5.66 -1.26 -1.63 114.28 121.21 1pmr n THR 68 Ca -0.01 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.90 1pmr n THR 68 Cb 0.62 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.43 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 -0.56 5.28 0.00 1.09 3.41 -1.22 -3.78 113.62 117.85 1pmr n SER 69 Ca 0.00 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.90 1pmr n SER 69 Cb 0.00 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 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 0.62 0.00 -3.26 4.33 0.63 -0.62 -4.22 116.66 114.14 1pmr n ARG 70 Ca 0.17 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.66 1pmr n ARG 70 Cb 0.62 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.47 1pmr n ARG 70 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1pmr s GLN 71 N 0.00 3.03 -0.29 -0.14 -1.52 -1.25 -4.73 119.66 114.76 1pmr s GLN 71 Ca 0.00 -1.32 -0.30 0.00 -1.95 0.00 0.00 55.36 51.79 1pmr s GLN 71 Cb 0.00 -4.19 -0.07 0.00 -0.22 0.00 0.00 33.01 28.53 1pmr s GLN 71 CO 0.00 -1.25 2.23 1.51 -0.25 0.00 0.00 175.29 177.54 1pmr n ILE 72 N 5.38 0.26 -0.29 1.08 3.06 -1.26 -2.58 119.36 125.00 1pmr n ILE 72 Ca -0.11 -0.42 0.08 0.00 -2.50 0.00 0.00 62.75 59.81 1pmr n ILE 72 Cb 0.43 -2.25 0.24 0.00 0.54 0.00 0.00 39.64 38.59 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 14.49 0.47 0.00 9.51 4.07 -0.29 -3.43 115.31 140.13 1pmr h LEU 73 Ca -0.35 0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1pmr h LEU 73 Cb 1.27 0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.05 1pmr h LEU 73 CO 1.00 0.17 0.00 0.61 -1.08 0.00 0.00 178.44 179.14 1pmr n GLY 74 N -1.33 -0.47 2.88 0.83 0.00 -1.20 0.19 105.19 106.10 1pmr n GLY 74 Ca 0.18 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 0.20 0.00 1.61 1.70 -0.64 -2.09 118.95 117.73 1pmr s ARG 75 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 55.73 55.22 1pmr s ARG 75 Cb 0.00 -0.25 0.00 0.00 -0.57 0.00 0.00 34.95 34.13 1pmr s ARG 75 CO 0.00 0.00 0.00 1.28 -1.08 0.00 0.00 175.30 175.50 1pmr n LEU 76 N 3.31 0.00 -3.75 -1.89 4.32 -1.15 -0.89 117.00 116.95 1pmr n LEU 76 Ca -0.16 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.70 1pmr n LEU 76 Cb 0.57 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.27 1pmr n LEU 76 CO 0.25 0.00 0.03 -0.60 -1.22 0.00 0.00 177.39 175.85 1pmr s ARG 77 N 0.59 0.52 -0.13 3.23 6.06 -1.17 -3.81 118.95 124.25 1pmr s ARG 77 Ca 0.00 0.21 -0.25 0.00 -2.50 0.00 0.00 55.73 53.19 1pmr s ARG 77 Cb 0.00 0.24 0.06 0.00 0.06 0.00 0.00 34.95 35.31 1pmr s ARG 77 CO 0.00 -0.11 0.62 -2.00 -2.50 0.00 0.00 175.30 171.31 1pmr s GLU 78 N -0.44 0.88 0.00 5.12 2.12 -0.70 -2.01 118.70 123.67 1pmr s GLU 78 Ca -0.06 0.47 0.00 0.00 0.36 0.00 0.00 54.97 55.75 1pmr s GLU 78 Cb -0.04 0.42 0.00 0.00 0.26 0.00 0.00 34.13 34.77 1pmr s GLU 78 CO 0.02 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.94 1pmr n GLY 79 N 1.72 2.50 3.83 -1.50 0.00 -1.26 -4.09 105.19 106.39 1pmr n GLY 79 Ca -0.17 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1pmr n GLY 79 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31