#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 0.95 -1.21 4.04 0.01 -1.26 0.76 113.70 116.98 1pmr s SER 2 Ca 0.00 -1.56 -0.21 0.00 1.31 0.00 0.00 55.95 55.49 1pmr s SER 2 Cb 0.00 0.50 -0.02 0.00 0.21 0.00 0.00 66.02 66.71 1pmr s SER 2 CO 0.00 -1.00 1.85 -0.69 0.41 0.00 0.00 173.24 173.80 1pmr s VAL 3 N -3.71 3.77 -1.22 3.43 1.01 -1.17 -4.60 120.40 117.92 1pmr s VAL 3 Ca 0.38 -1.28 -0.20 0.00 0.00 0.00 0.00 61.98 60.88 1pmr s VAL 3 Cb 0.04 -4.81 0.00 0.00 0.00 0.00 0.00 36.38 31.61 1pmr s VAL 3 CO 0.20 -1.41 1.80 -1.81 0.00 0.00 0.00 175.10 173.88 1pmr s ASP 4 N 5.64 6.04 0.11 3.32 1.11 -1.26 -3.02 116.67 128.61 1pmr s ASP 4 Ca 0.62 -2.00 0.00 0.00 0.18 0.00 0.00 52.55 51.36 1pmr s ASP 4 Cb 0.01 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 1pmr s ASP 4 CO 0.10 -2.01 0.27 -0.51 1.18 0.00 0.00 175.17 174.20 1pmr s ILE 5 N 7.18 5.33 0.00 0.77 1.10 -1.02 -5.00 121.20 129.57 1pmr s ILE 5 Ca 0.60 -0.46 0.00 0.00 -0.51 0.00 0.00 60.65 60.28 1pmr s ILE 5 Cb 0.01 -3.68 0.00 0.00 0.15 0.00 0.00 42.46 38.94 1pmr s ILE 5 CO 0.08 0.02 0.00 0.00 -2.11 0.00 0.00 174.94 172.93 1pmr n LEU 6 N -0.11 0.00 -3.23 8.50 -0.00 -1.26 0.55 117.00 121.44 1pmr n LEU 6 Ca -0.05 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.71 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 0.50 0.00 -0.11 0.52 -0.00 0.00 0.00 177.39 178.30 1pmr n VAL 7 N 0.00 0.86 -1.18 1.47 0.31 -1.20 -4.69 118.33 113.89 1pmr n VAL 7 Ca 0.00 -4.69 -0.31 0.00 -0.01 0.00 0.00 64.34 59.32 1pmr n VAL 7 Cb 0.00 -1.68 -0.06 0.00 -0.91 0.00 0.00 33.84 31.19 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 0.85 3.17 -0.09 5.55 -0.04 -1.25 -2.69 135.00 140.50 1pmr n PRO 8 Ca 0.26 -1.86 0.03 0.00 -0.04 0.00 0.00 63.50 61.89 1pmr n PRO 8 Cb 0.49 -2.59 0.08 0.00 -0.04 0.00 0.00 33.50 31.44 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 3.39 2.44 -2.67 3.54 9.92 -1.26 -4.94 116.55 126.97 1pmr n ASP 9 Ca 0.68 -2.13 -0.36 0.00 -0.53 0.00 0.00 54.79 52.45 1pmr n ASP 9 Cb 0.37 -0.14 -0.08 0.00 -0.64 0.00 0.00 41.12 40.63 1pmr n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pmr n LEU 10 N -0.22 0.44 -0.01 0.64 -0.00 -1.26 -4.79 117.00 111.80 1pmr n LEU 10 Ca 0.06 0.39 -0.17 0.00 -0.00 0.00 0.00 56.01 56.30 1pmr n LEU 10 Cb 0.37 -0.56 -0.12 0.00 -0.00 0.00 0.00 43.42 43.11 1pmr n LEU 10 CO 0.04 -0.48 0.29 1.55 -0.00 0.00 0.00 177.39 178.79 1pmr h PRO 11 N 5.82 0.29 0.00 1.47 0.13 -1.98 -3.49 132.00 134.24 1pmr h PRO 11 Ca -0.06 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1pmr h PRO 11 Cb 0.88 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1pmr h PRO 11 CO 0.70 1.05 0.00 0.39 -0.23 0.00 0.00 178.00 179.91 1pmr n GLU 12 N -4.33 0.00 -0.50 0.86 1.02 -1.26 -5.14 120.64 111.29 1pmr n GLU 12 Ca -0.10 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.82 1pmr n GLU 12 Cb 0.62 0.00 0.17 0.00 -0.02 0.00 0.00 31.44 32.21 1pmr n GLU 12 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1pmr n SER 13 N -0.12 -3.10 -2.49 1.62 7.64 -1.26 -4.91 113.62 111.00 1pmr n SER 13 Ca 0.00 -0.43 -0.29 0.00 1.01 0.00 0.00 58.87 59.16 1pmr n SER 13 Cb 0.00 -0.82 0.01 0.00 -1.01 0.00 0.00 64.21 62.39 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 -4.62 2.61 0.60 0.44 3.14 -1.26 -4.76 118.33 114.48 1pmr n VAL 14 Ca 0.06 -4.71 0.07 0.00 -2.96 0.00 0.00 64.34 56.80 1pmr n VAL 14 Cb 0.41 -1.25 0.33 0.00 -1.06 0.00 0.00 33.84 32.27 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 -0.53 1.74 -0.56 1.55 0.00 -1.26 -4.97 120.51 116.48 1pmr n ALA 15 Ca 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1pmr n ALA 15 Cb 0.63 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.33 -1.52 -0.51 0.00 8.00 -1.26 -4.94 116.55 114.99 1pmr n ASP 16 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1pmr n ASP 16 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 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 2.29 0.00 -3.59 2.24 0.00 0.40 -4.42 120.51 117.43 1pmr n ALA 17 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1pmr n ALA 17 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.47 0.00 0.56 0.00 2.01 -0.29 -2.30 115.64 113.15 1pmr s THR 18 Ca 0.00 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 1pmr s THR 18 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1pmr s THR 18 CO 0.00 0.00 1.21 -0.69 -0.69 0.00 0.00 174.62 174.45 1pmr s VAL 19 N -0.23 2.68 0.00 3.82 1.01 -0.60 0.26 120.40 127.33 1pmr s VAL 19 Ca -0.04 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1pmr s VAL 19 Cb -0.03 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1pmr s VAL 19 CO 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 175.10 175.07 1pmr n ALA 20 N -1.34 2.72 -3.15 5.51 0.00 0.21 -2.81 120.51 121.65 1pmr n ALA 20 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.60 1pmr n ALA 20 Cb 0.49 0.33 -0.01 0.00 0.00 0.00 0.00 19.45 20.25 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 -1.90 -0.86 0.00 0.00 2.01 -1.10 -4.63 115.64 109.16 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 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 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 5.44 -1.19 -2.36 4.92 7.02 -1.26 -2.26 117.44 127.76 1pmr n TRP 22 Ca -0.02 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.42 1pmr n TRP 22 Cb 0.52 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.43 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 -1.15 -0.85 -4.05 -5.99 8.25 -1.26 -4.81 115.22 105.36 1pmr n HIS 23 Ca 0.00 -1.11 -0.32 0.00 -0.26 0.00 0.00 57.72 56.03 1pmr n HIS 23 Cb 0.00 0.90 -0.15 0.00 1.12 0.00 0.00 29.99 31.86 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 -0.12 2.14 1.20 -0.41 -0.14 -1.26 -4.75 119.74 116.40 1pmr s LYS 24 Ca 0.07 -1.43 -0.20 0.00 -1.36 0.00 0.00 55.97 53.05 1pmr s LYS 24 Cb 0.23 -2.96 0.31 0.00 -1.68 0.00 0.00 37.83 33.73 1pmr s LYS 24 CO -0.07 -0.63 0.70 1.17 -0.76 0.00 0.00 175.35 175.76 1pmr n LYS 25 N 4.42 -4.28 -1.96 1.68 3.00 -1.26 -4.69 118.16 115.07 1pmr n LYS 25 Ca -0.11 -1.18 -0.24 0.00 -0.00 0.00 0.00 58.31 56.78 1pmr n LYS 25 Cb 0.42 -1.55 -0.05 0.00 0.00 0.00 0.00 35.03 33.85 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 -4.65 2.38 -0.12 1.64 0.04 -1.26 -3.00 135.00 130.03 1pmr s PRO 26 Ca 0.54 -0.15 -0.00 0.00 0.04 0.00 0.00 61.00 61.43 1pmr s PRO 26 Cb -0.10 -5.01 0.00 0.00 0.04 0.00 0.00 34.50 29.43 1pmr s PRO 26 CO 0.45 -3.58 0.10 0.41 0.04 0.00 0.00 177.00 174.43 1pmr n GLY 27 N 6.85 0.54 0.00 0.56 0.00 -0.80 -4.82 105.19 107.52 1pmr n GLY 27 Ca 0.41 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.31 -0.29 -3.00 1.61 9.92 -1.16 -4.52 116.55 118.81 1pmr n ASP 28 Ca -0.02 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.23 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 s ALA 29 N -2.02 -2.31 1.01 2.24 0.00 -1.26 -2.93 121.76 116.49 1pmr s ALA 29 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 1pmr s ALA 29 Cb 0.00 -2.74 0.15 0.00 0.00 0.00 0.00 23.12 20.54 1pmr s ALA 29 CO 0.00 -2.24 0.88 1.55 0.00 0.00 0.00 175.76 175.95 1pmr n VAL 30 N 3.73 0.00 0.00 0.00 3.14 0.99 -4.87 118.33 121.32 1pmr n VAL 30 Ca 0.14 -0.62 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 1pmr n VAL 30 Cb 0.57 -1.63 0.00 0.00 -1.06 0.00 0.00 33.84 31.72 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 -3.30 0.00 -3.13 1.55 3.14 -1.26 -2.34 118.33 112.99 1pmr n VAL 31 Ca 0.11 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.23 1pmr n VAL 31 Cb 0.39 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.11 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 -2.07 2.82 0.00 1.45 5.12 -1.26 -3.17 116.66 119.56 1pmr n ARG 32 Ca 0.00 -4.69 0.00 0.00 -1.93 0.00 0.00 57.85 51.23 1pmr n ARG 32 Cb 0.00 -2.19 0.00 0.00 -1.16 0.00 0.00 32.46 29.11 1pmr n ARG 32 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1pmr n ASP 33 N 0.21 0.00 -4.92 0.55 8.00 -1.26 -4.96 116.55 114.18 1pmr n ASP 33 Ca 0.30 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.54 1pmr n ASP 33 Cb 0.41 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.59 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 2.15 0.43 -1.24 2.12 -1.08 -4.87 118.70 116.22 1pmr s GLU 34 Ca 0.00 -0.23 -0.10 0.00 0.36 0.00 0.00 54.97 55.00 1pmr s GLU 34 Cb 0.00 -2.15 -0.08 0.00 0.26 0.00 0.00 34.13 32.16 1pmr s GLU 34 CO 0.00 -1.29 -0.28 1.55 -0.54 0.00 0.00 175.26 174.70 1pmr n VAL 35 N -2.97 0.00 -3.19 3.70 3.14 -1.26 -3.41 118.33 114.34 1pmr n VAL 35 Ca 0.08 -0.28 -0.22 0.00 -2.96 0.00 0.00 64.34 60.96 1pmr n VAL 35 Cb 0.60 0.00 -0.05 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 1.70 1.18 -3.73 6.55 4.32 -1.23 -2.73 117.00 123.05 1pmr n LEU 36 Ca 0.01 -4.99 -0.36 0.00 -0.02 0.00 0.00 56.01 50.66 1pmr n LEU 36 Cb 0.29 0.44 0.03 0.00 -1.62 0.00 0.00 43.42 42.56 1pmr n LEU 36 CO 0.30 2.19 -1.97 0.55 -1.22 0.00 0.00 177.39 177.23 1pmr n VAL 37 N 0.73 0.00 -3.86 4.08 3.14 -1.25 -4.15 118.33 117.03 1pmr n VAL 37 Ca 0.24 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.32 1pmr n VAL 37 Cb 0.56 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.20 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 -1.87 1.26 0.00 1.45 0.41 -0.96 -3.24 118.70 115.75 1pmr s GLU 38 Ca 0.33 -1.75 0.00 0.00 -0.41 0.00 0.00 54.97 53.14 1pmr s GLU 38 Cb 0.10 -2.66 0.00 0.00 -1.78 0.00 0.00 34.13 29.80 1pmr s GLU 38 CO 0.60 -1.02 0.00 1.51 -0.49 0.00 0.00 175.26 175.86 1pmr n ILE 39 N 4.14 0.00 -3.41 -1.63 3.06 -1.10 0.65 119.36 121.08 1pmr n ILE 39 Ca 0.03 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 60.11 1pmr n ILE 39 Cb 0.39 -1.92 -0.10 0.00 0.54 0.00 0.00 39.64 38.55 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 0.00 0.31 0.00 9.51 0.41 0.71 -4.46 118.70 125.18 1pmr s GLU 40 Ca 0.00 -0.08 0.00 0.00 -0.41 0.00 0.00 54.97 54.48 1pmr s GLU 40 Cb 0.00 -0.71 0.00 0.00 -1.78 0.00 0.00 34.13 31.64 1pmr s GLU 40 CO 0.00 -0.98 0.00 2.41 -0.49 0.00 0.00 175.26 176.20 1pmr n THR 41 N 5.31 0.00 -3.11 3.63 -1.04 -0.22 -1.14 114.28 117.72 1pmr n THR 41 Ca -0.03 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.53 1pmr n THR 41 Cb 0.47 -0.27 -0.02 0.00 -1.82 0.00 0.00 70.33 68.69 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 6.79 0.00 8.00 2.15 -1.26 -4.35 116.67 127.00 1pmr s ASP 42 Ca 0.00 -2.52 0.00 0.00 0.43 0.00 0.00 52.55 50.46 1pmr s ASP 42 Cb 0.00 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 1pmr s ASP 42 CO 0.00 -0.78 0.00 1.17 -0.17 0.00 0.00 175.17 175.39 1pmr n LYS 43 N 5.19 0.00 -5.02 4.34 4.81 -1.26 -4.97 118.16 121.25 1pmr n LYS 43 Ca 0.22 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.34 1pmr n LYS 43 Cb 0.47 -0.44 -0.15 0.00 0.02 0.00 0.00 35.03 34.93 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 -1.28 2.68 -0.34 3.15 1.01 -1.26 -5.09 120.40 119.26 1pmr s VAL 44 Ca 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 1pmr s VAL 44 Cb 0.00 -2.03 0.06 0.00 0.00 0.00 0.00 36.38 34.41 1pmr s VAL 44 CO 0.00 0.57 0.08 0.54 0.00 0.00 0.00 175.10 176.29 1pmr s VAL 45 N -0.39 3.25 1.00 2.92 0.11 -1.26 -1.05 120.40 124.97 1pmr s VAL 45 Ca 0.04 -1.52 -0.17 0.00 -2.93 0.00 0.00 61.98 57.40 1pmr s VAL 45 Cb -0.12 -2.96 0.22 0.00 -1.53 0.00 0.00 36.38 31.99 1pmr s VAL 45 CO 0.02 -0.29 1.33 -0.76 -3.33 0.00 0.00 175.10 172.08 1pmr s LEU 46 N 1.25 2.64 0.00 2.54 1.43 -1.26 -4.84 118.68 120.44 1pmr s LEU 46 Ca -0.01 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1pmr s LEU 46 Cb -0.21 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1pmr s LEU 46 CO -0.01 -2.93 0.00 -0.62 0.23 0.00 0.00 176.35 173.02 1pmr n GLU 47 N -3.89 2.17 -3.00 1.70 4.71 -1.26 -2.71 120.64 118.37 1pmr n GLU 47 Ca 0.16 0.00 -0.14 0.00 -0.01 0.00 0.00 57.16 57.17 1pmr n GLU 47 Cb 0.59 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 31.00 1pmr n GLU 47 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1pmr n VAL 48 N 0.00 -0.44 -2.68 2.62 3.14 -1.20 -4.82 118.33 114.95 1pmr n VAL 48 Ca 0.00 -2.29 -0.43 0.00 -2.96 0.00 0.00 64.34 58.66 1pmr n VAL 48 Cb 0.00 -0.10 -0.02 0.00 -1.06 0.00 0.00 33.84 32.66 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 0.25 3.98 0.00 1.45 0.04 -1.17 -3.56 135.00 135.99 1pmr s PRO 49 Ca 0.32 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1pmr s PRO 49 Cb 0.10 -3.77 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1pmr s PRO 49 CO -0.15 -0.96 0.00 0.00 0.04 0.00 0.00 177.00 175.93 1pmr n ALA 50 N 6.94 0.00 -1.41 8.56 0.00 -1.11 -4.84 120.51 128.66 1pmr n ALA 50 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.58 1pmr n ALA 50 Cb 0.48 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.29 0.97 0.00 0.00 3.41 -1.26 -2.63 113.62 111.81 1pmr n SER 51 Ca 0.00 -2.26 0.00 0.00 -0.26 0.00 0.00 58.87 56.35 1pmr n SER 51 Cb 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 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 -0.53 0.00 -0.76 7.33 0.00 -1.19 -4.17 120.51 121.18 1pmr n ALA 52 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1pmr n ALA 52 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.99 -4.80 116.55 110.68 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 1.96 2.10 0.27 0.00 -1.08 -0.01 105.19 108.43 1pmr n GLY 54 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.33 0.00 -1.51 -0.61 5.41 -1.15 -4.39 119.36 116.79 1pmr n ILE 55 Ca 0.00 -0.17 -0.40 0.00 1.00 0.00 0.00 62.75 63.18 1pmr n ILE 55 Cb 0.00 -0.13 -0.11 0.00 -0.71 0.00 0.00 39.64 38.69 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 4.62 1.02 0.00 1.39 -0.00 -1.25 -3.35 117.00 119.43 1pmr n LEU 56 Ca 0.40 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 1pmr n LEU 56 Cb 0.06 -1.14 0.00 0.00 -0.00 0.00 0.00 43.42 42.33 1pmr n LEU 56 CO 0.62 -0.99 -0.49 -0.67 -0.00 0.00 0.00 177.39 175.86 1pmr n ASP 57 N 12.08 1.55 -3.70 1.96 2.03 -1.25 -1.90 116.55 127.31 1pmr n ASP 57 Ca 0.56 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.59 1pmr n ASP 57 Cb 0.20 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.44 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 -1.99 0.95 -0.61 -1.67 0.00 0.84 -4.99 121.76 114.30 1pmr s ALA 58 Ca 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 1pmr s ALA 58 Cb 0.00 -1.24 0.16 0.00 0.00 0.00 0.00 23.12 22.03 1pmr s ALA 58 CO 0.00 -1.29 0.41 0.08 0.00 0.00 0.00 175.76 174.96 1pmr s VAL 59 N 1.89 3.60 -1.54 0.00 1.01 -1.26 0.91 120.40 125.01 1pmr s VAL 59 Ca 0.02 -2.96 0.15 0.00 0.00 0.00 0.00 61.98 59.19 1pmr s VAL 59 Cb -0.17 -3.36 0.30 0.00 0.00 0.00 0.00 36.38 33.15 1pmr s VAL 59 CO -0.14 -0.86 1.40 0.18 0.00 0.00 0.00 175.10 175.68 1pmr n LEU 60 N 3.50 0.00 -2.27 3.92 4.77 -0.88 -2.36 117.00 123.68 1pmr n LEU 60 Ca 0.07 0.23 -0.13 0.00 -0.03 0.00 0.00 56.01 56.15 1pmr n LEU 60 Cb 0.37 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1pmr n LEU 60 CO 0.34 -0.12 0.11 -0.62 -1.33 0.00 0.00 177.39 175.77 1pmr n GLU 61 N -1.23 2.72 -1.45 3.23 1.02 0.58 -4.91 120.64 120.60 1pmr n GLU 61 Ca 0.08 -3.83 -0.52 0.00 -0.02 0.00 0.00 57.16 52.87 1pmr n GLU 61 Cb 0.11 -1.94 -0.05 0.00 -0.02 0.00 0.00 31.44 29.54 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 -0.65 -0.62 -1.68 1.62 9.92 -1.00 -4.43 116.55 119.72 1pmr n ASP 62 Ca 0.28 1.14 -0.16 0.00 -0.53 0.00 0.00 54.79 55.52 1pmr n ASP 62 Cb 0.90 -0.96 -0.00 0.00 -0.64 0.00 0.00 41.12 40.42 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 1.21 0.00 -0.55 -1.24 -0.58 -1.26 -1.98 120.64 116.24 1pmr n GLU 63 Ca 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1pmr n GLU 63 Cb 0.19 -0.39 0.00 0.00 -0.57 0.00 0.00 31.44 30.67 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 0.91 1.11 3.92 0.62 0.00 -1.12 -4.96 105.19 105.66 1pmr n GLY 64 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.24 5.10 0.19 2.61 2.01 -0.84 -4.89 115.64 116.58 1pmr s THR 65 Ca 0.00 -0.14 -0.10 0.00 0.31 0.00 0.00 61.69 61.76 1pmr s THR 65 Cb 0.00 -3.74 -0.07 0.00 0.01 0.00 0.00 72.50 68.70 1pmr s THR 65 CO 0.00 -0.28 0.52 -0.89 -0.69 0.00 0.00 174.62 173.28 1pmr s THR 66 N -2.02 4.96 0.05 -0.82 2.01 -1.26 -1.56 115.64 117.00 1pmr s THR 66 Ca 0.42 0.50 -0.14 0.00 0.31 0.00 0.00 61.69 62.77 1pmr s THR 66 Cb -0.11 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.78 1pmr s THR 66 CO 0.30 0.04 0.31 0.54 -0.69 0.00 0.00 174.62 175.12 1pmr s VAL 67 N -1.69 0.08 0.00 3.82 0.11 -0.97 -4.89 120.40 116.86 1pmr s VAL 67 Ca 0.43 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 1pmr s VAL 67 Cb -0.12 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 1pmr s VAL 67 CO 0.21 -0.37 0.00 1.07 -3.33 0.00 0.00 175.10 172.68 1pmr n THR 68 N 0.51 0.00 0.00 5.04 5.66 -1.26 -0.45 114.28 123.77 1pmr n THR 68 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1pmr n THR 68 Cb 0.60 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 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 -4.24 1.09 7.64 -1.26 -4.27 113.62 112.58 1pmr n SER 69 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1pmr n SER 69 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 2.33 -3.78 1.43 0.63 -1.09 -3.23 116.66 112.94 1pmr n ARG 70 Ca 0.00 -2.64 -0.35 0.00 -0.92 0.00 0.00 57.85 53.94 1pmr n ARG 70 Cb 0.00 -3.42 -0.11 0.00 0.45 0.00 0.00 32.46 29.38 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 4.85 2.19 -0.48 -0.14 -1.52 -1.26 -4.73 119.66 118.57 1pmr s GLN 71 Ca 0.58 -2.18 -0.41 0.00 -1.95 0.00 0.00 55.36 51.40 1pmr s GLN 71 Cb 0.07 -3.60 -0.18 0.00 -0.22 0.00 0.00 33.01 29.08 1pmr s GLN 71 CO 0.07 -1.11 2.02 1.51 -0.25 0.00 0.00 175.29 177.53 1pmr n ILE 72 N 4.00 0.00 -0.37 1.08 3.06 -1.26 -3.90 119.36 121.97 1pmr n ILE 72 Ca 0.03 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.32 1pmr n ILE 72 Cb 0.39 -0.47 0.19 0.00 0.54 0.00 0.00 39.64 40.30 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 8.50 1.02 0.00 9.51 3.38 -0.18 -3.43 115.31 134.11 1pmr h LEU 73 Ca -0.09 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1pmr h LEU 73 Cb 1.32 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1pmr h LEU 73 CO 1.03 0.63 0.00 0.61 0.09 0.00 0.00 178.44 180.79 1pmr n GLY 74 N -1.36 -2.86 3.32 0.83 0.00 -1.20 0.22 105.19 104.13 1pmr n GLY 74 Ca 0.16 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 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 2.63 0.00 1.61 1.70 0.26 -2.43 118.95 120.72 1pmr s ARG 75 Ca 0.00 -0.84 0.00 0.00 -0.47 0.00 0.00 55.73 54.42 1pmr s ARG 75 Cb 0.00 -2.26 0.00 0.00 -0.57 0.00 0.00 34.95 32.12 1pmr s ARG 75 CO 0.00 0.41 0.00 1.28 -1.08 0.00 0.00 175.30 175.91 1pmr n LEU 76 N 2.88 0.00 -3.65 -1.89 4.32 -1.17 -0.11 117.00 117.38 1pmr n LEU 76 Ca -0.17 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.68 1pmr n LEU 76 Cb 0.52 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.25 1pmr n LEU 76 CO 0.26 0.00 0.19 -0.60 -1.22 0.00 0.00 177.39 176.01 1pmr s ARG 77 N 0.16 0.90 0.01 3.23 6.06 -1.21 -3.93 118.95 124.17 1pmr s ARG 77 Ca 0.00 -0.21 -0.01 0.00 -2.50 0.00 0.00 55.73 53.01 1pmr s ARG 77 Cb 0.00 0.41 0.00 0.00 0.06 0.00 0.00 34.95 35.42 1pmr s ARG 77 CO 0.00 -0.30 0.03 -1.91 -2.50 0.00 0.00 175.30 170.63 1pmr n GLU 78 N 0.72 0.04 0.00 5.12 0.00 0.23 -2.65 120.64 124.10 1pmr n GLU 78 Ca -0.19 -0.09 0.00 0.00 0.00 0.00 0.00 57.16 56.88 1pmr n GLU 78 Cb 0.59 0.11 0.00 0.00 0.00 0.00 0.00 31.44 32.13 1pmr n GLU 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pmr n GLY 79 N -0.02 -0.86 0.00 8.31 0.00 -1.25 -4.64 105.19 106.72 1pmr n GLY 79 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1pmr n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02