#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 -1.73 -4.52 -3.46 7.64 -1.19 -2.91 113.62 107.46 1pmr n SER 2 Ca 0.00 -2.74 -0.42 0.00 1.01 0.00 0.00 58.87 56.72 1pmr n SER 2 Cb 0.00 3.04 -0.03 0.00 -1.01 0.00 0.00 64.21 66.21 1pmr n SER 2 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1pmr s VAL 3 N -2.52 4.27 -0.68 0.44 1.01 -0.37 -4.07 120.40 118.48 1pmr s VAL 3 Ca 0.23 -1.19 -0.26 0.00 0.00 0.00 0.00 61.98 60.76 1pmr s VAL 3 Cb -0.03 -4.96 -0.06 0.00 0.00 0.00 0.00 36.38 31.33 1pmr s VAL 3 CO 0.17 -1.78 2.14 -1.81 0.00 0.00 0.00 175.10 173.82 1pmr s ASP 4 N 4.37 4.74 -0.18 3.32 1.01 -1.26 -2.87 116.67 125.79 1pmr s ASP 4 Ca 0.41 0.25 -0.07 0.00 0.71 0.00 0.00 52.55 53.85 1pmr s ASP 4 Cb -0.02 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1pmr s ASP 4 CO -0.08 -2.89 0.06 -0.63 0.21 0.00 0.00 175.17 171.83 1pmr s ILE 5 N 11.28 4.78 0.00 0.77 1.09 -1.09 -5.01 121.20 133.01 1pmr s ILE 5 Ca 0.81 -0.04 0.00 0.00 -1.10 0.00 0.00 60.65 60.32 1pmr s ILE 5 Cb -0.12 -3.15 0.00 0.00 -1.06 0.00 0.00 42.46 38.12 1pmr s ILE 5 CO 0.15 0.46 0.00 0.00 -0.10 0.00 0.00 174.94 175.45 1pmr n LEU 6 N 3.56 0.00 -3.79 2.97 -0.00 -1.26 -0.39 117.00 118.08 1pmr n LEU 6 Ca -0.17 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.57 1pmr n LEU 6 Cb 0.52 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.83 1pmr n LEU 6 CO 0.35 0.00 -0.03 0.52 -0.00 0.00 0.00 177.39 178.24 1pmr n VAL 7 N 0.00 1.64 -1.13 1.47 0.31 -1.21 -4.73 118.33 114.68 1pmr n VAL 7 Ca 0.00 -4.87 -0.22 0.00 -0.01 0.00 0.00 64.34 59.24 1pmr n VAL 7 Cb 0.00 -2.15 -0.12 0.00 -0.91 0.00 0.00 33.84 30.66 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 1.79 2.62 0.00 5.55 -0.04 -1.26 -1.72 135.00 141.94 1pmr n PRO 8 Ca 0.22 -1.47 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 1pmr n PRO 8 Cb 0.37 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 2.82 0.38 -3.22 3.54 8.00 -1.26 -5.00 116.55 121.81 1pmr n ASP 9 Ca 0.56 -0.68 -0.20 0.00 0.71 0.00 0.00 54.79 55.18 1pmr n ASP 9 Cb 0.67 0.51 0.02 0.00 -0.02 0.00 0.00 41.12 42.30 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 -0.51 -2.82 -4.76 0.64 4.77 -1.25 -4.87 117.00 108.19 1pmr n LEU 10 Ca 0.00 0.10 -0.39 0.00 -0.03 0.00 0.00 56.01 55.69 1pmr n LEU 10 Cb 0.01 -1.49 -0.06 0.00 -2.33 0.00 0.00 43.42 39.55 1pmr n LEU 10 CO 0.00 -0.64 0.69 -2.16 -1.33 0.00 0.00 177.39 173.95 1pmr s PRO 11 N -1.65 4.67 0.24 3.23 0.04 -1.26 -5.07 135.00 135.20 1pmr s PRO 11 Ca 0.19 1.51 0.02 0.00 0.04 0.00 0.00 61.00 62.75 1pmr s PRO 11 Cb -0.02 -3.05 -0.05 0.00 0.04 0.00 0.00 34.50 31.42 1pmr s PRO 11 CO 0.43 0.33 0.07 -1.21 0.04 0.00 0.00 177.00 176.66 1pmr s GLU 12 N -1.61 1.36 0.00 4.56 2.02 -1.26 -4.76 118.70 119.01 1pmr s GLU 12 Ca 0.46 -1.72 0.00 0.00 0.02 0.00 0.00 54.97 53.73 1pmr s GLU 12 Cb -0.25 -0.32 0.00 0.00 0.10 0.00 0.00 34.13 33.67 1pmr s GLU 12 CO 0.31 -0.24 0.00 0.45 0.02 0.00 0.00 175.26 175.80 1pmr n SER 13 N -0.43 -4.48 0.00 -0.19 2.88 -1.26 -4.78 113.62 105.36 1pmr n SER 13 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1pmr n SER 13 Cb 0.66 -2.53 0.00 0.00 -0.75 0.00 0.00 64.21 61.59 1pmr n SER 13 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1pmr n VAL 14 N -2.25 0.00 0.00 2.46 3.14 -1.26 -5.09 118.33 115.32 1pmr n VAL 14 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1pmr n VAL 14 Cb 0.31 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.09 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 -3.00 0.00 0.00 1.55 0.00 -1.26 -5.14 120.51 112.66 1pmr n ALA 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pmr n ALA 15 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pmr n ALA 15 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pmr n ASP 16 N 0.00 0.00 -0.71 0.00 5.68 -1.26 -4.99 116.55 115.26 1pmr n ASP 16 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1pmr n ASP 16 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1pmr n ASP 16 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pmr n ALA 17 N 0.00 0.00 -3.44 2.12 0.00 -0.50 -4.38 120.51 114.31 1pmr n ALA 17 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 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 -2.33 0.02 0.39 0.00 2.01 0.15 -3.08 115.64 112.79 1pmr s THR 18 Ca 0.00 -0.14 -0.23 0.00 0.31 0.00 0.00 61.69 61.63 1pmr s THR 18 Cb 0.00 -0.87 -0.10 0.00 0.01 0.00 0.00 72.50 71.54 1pmr s THR 18 CO 0.00 -0.07 0.97 -0.69 -0.69 0.00 0.00 174.62 174.14 1pmr s VAL 19 N -1.05 4.16 0.03 3.82 1.01 -0.73 0.27 120.40 127.91 1pmr s VAL 19 Ca -0.10 1.55 -0.01 0.00 0.00 0.00 0.00 61.98 63.42 1pmr s VAL 19 Cb -0.02 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1pmr s VAL 19 CO 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 175.10 175.06 1pmr n ALA 20 N -0.13 2.89 -3.52 5.51 0.00 0.10 -2.21 120.51 123.15 1pmr n ALA 20 Ca 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 1pmr n ALA 20 Cb 0.52 0.35 -0.05 0.00 0.00 0.00 0.00 19.45 20.27 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 -2.04 -0.44 0.00 0.00 2.01 -1.16 -4.40 115.64 109.61 1pmr s THR 21 Ca -0.02 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.98 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 0.03 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 174.75 1pmr n TRP 22 N 4.71 -2.25 -2.08 4.92 7.02 -1.26 -2.59 117.44 125.91 1pmr n TRP 22 Ca -0.13 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.34 1pmr n TRP 22 Cb 0.54 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.41 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 -2.07 0.00 -5.13 -5.99 8.25 -1.26 -4.83 115.22 104.20 1pmr n HIS 23 Ca 0.00 -0.21 -0.32 0.00 -0.26 0.00 0.00 57.72 56.93 1pmr n HIS 23 Cb 0.00 0.18 -0.16 0.00 1.12 0.00 0.00 29.99 31.13 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 2.95 0.96 -0.41 2.47 -1.26 -4.81 119.74 119.63 1pmr s LYS 24 Ca 0.05 -0.84 -0.16 0.00 -1.56 0.00 0.00 55.97 53.47 1pmr s LYS 24 Cb 0.06 -2.33 0.19 0.00 -1.46 0.00 0.00 37.83 34.30 1pmr s LYS 24 CO -0.03 0.27 1.30 0.15 0.16 0.00 0.00 175.35 177.20 1pmr s LYS 25 N 0.14 0.68 -0.58 4.03 1.02 -1.26 -4.91 119.74 118.87 1pmr s LYS 25 Ca -0.11 -0.35 -0.27 0.00 0.02 0.00 0.00 55.97 55.25 1pmr s LYS 25 Cb -0.16 -1.85 -0.02 0.00 -0.52 0.00 0.00 37.83 35.29 1pmr s LYS 25 CO 0.06 -2.39 1.81 -1.25 -0.92 0.00 0.00 175.35 172.66 1pmr s PRO 26 N -5.85 2.78 0.00 -1.68 0.04 -1.26 -2.97 135.00 126.06 1pmr s PRO 26 Ca 0.73 0.68 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1pmr s PRO 26 Cb -0.05 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 30.15 1pmr s PRO 26 CO 0.53 -2.55 0.00 0.41 0.04 0.00 0.00 177.00 175.42 1pmr n GLY 27 N 5.62 0.87 0.00 0.56 0.00 -0.94 -4.77 105.19 106.54 1pmr n GLY 27 Ca 0.20 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 1.43 -1.04 -2.73 1.61 9.92 -1.16 -4.54 116.55 120.04 1pmr n ASP 28 Ca 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.22 1pmr n ASP 28 Cb 0.44 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.95 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 -2.94 -2.42 -1.31 2.24 0.00 -1.14 -2.71 120.51 112.23 1pmr n ALA 29 Ca 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 53.44 52.62 1pmr n ALA 29 Cb 0.00 -2.04 0.07 0.00 0.00 0.00 0.00 19.45 17.49 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 2.61 0.00 0.00 0.00 3.14 0.56 -4.81 118.33 119.82 1pmr n VAL 30 Ca 0.14 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 1pmr n VAL 30 Cb 0.60 -1.79 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 -2.68 0.00 -1.74 1.55 0.24 -1.26 -2.68 118.33 111.77 1pmr n VAL 31 Ca 0.06 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 62.00 1pmr n VAL 31 Cb 0.20 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.62 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 2.85 0.00 7.34 1.74 -1.25 -1.55 116.66 125.80 1pmr n ARG 32 Ca 0.00 -3.56 0.00 0.00 -0.77 0.00 0.00 57.85 53.52 1pmr n ARG 32 Cb 0.00 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.16 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 -0.70 0.00 -1.67 0.55 8.00 -1.25 -4.87 116.55 116.61 1pmr n ASP 33 Ca 0.56 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1pmr n ASP 33 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 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 1.22 -0.73 -1.24 2.13 -0.85 -4.77 120.64 116.40 1pmr n GLU 34 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 1pmr n GLU 34 Cb 0.00 0.00 0.15 0.00 0.27 0.00 0.00 31.44 31.86 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 -0.88 0.00 -3.18 6.31 3.14 -1.26 -4.08 118.33 118.38 1pmr n VAL 35 Ca 0.00 -0.24 -0.21 0.00 -2.96 0.00 0.00 64.34 60.93 1pmr n VAL 35 Cb 0.00 -0.64 -0.05 0.00 -1.06 0.00 0.00 33.84 32.09 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 -1.67 0.34 -3.60 6.55 -0.00 -1.20 -2.37 117.00 115.06 1pmr n LEU 36 Ca 0.04 -4.78 -0.34 0.00 -0.00 0.00 0.00 56.01 50.94 1pmr n LEU 36 Cb 0.57 0.68 0.03 0.00 -0.00 0.00 0.00 43.42 44.70 1pmr n LEU 36 CO 0.51 2.15 -1.57 0.55 -0.00 0.00 0.00 177.39 179.04 1pmr n VAL 37 N 0.96 0.00 -3.96 1.47 3.14 -1.25 -4.11 118.33 114.58 1pmr n VAL 37 Ca 0.22 -0.23 -0.31 0.00 -2.96 0.00 0.00 64.34 61.06 1pmr n VAL 37 Cb 0.58 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.21 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 1.39 0.00 1.45 0.41 -1.07 -3.27 118.70 115.81 1pmr s GLU 38 Ca 0.34 -1.61 0.00 0.00 -0.41 0.00 0.00 54.97 53.29 1pmr s GLU 38 Cb -0.03 -2.89 0.00 0.00 -1.78 0.00 0.00 34.13 29.43 1pmr s GLU 38 CO 0.67 -0.90 0.00 1.51 -0.49 0.00 0.00 175.26 176.06 1pmr n ILE 39 N 4.42 0.00 -3.26 -1.63 3.06 -0.69 0.01 119.36 121.28 1pmr n ILE 39 Ca 0.00 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.20 1pmr n ILE 39 Cb 0.42 -1.64 -0.04 0.00 0.54 0.00 0.00 39.64 38.92 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 0.86 0.49 -0.57 9.51 0.41 0.76 -4.52 118.70 125.64 1pmr s GLU 40 Ca 0.00 0.18 0.01 0.00 -0.41 0.00 0.00 54.97 54.75 1pmr s GLU 40 Cb 0.00 -0.15 0.14 0.00 -1.78 0.00 0.00 34.13 32.35 1pmr s GLU 40 CO 0.00 -1.06 0.34 0.99 -0.49 0.00 0.00 175.26 175.05 1pmr s THR 41 N 2.54 3.10 0.00 3.63 2.01 -0.66 -0.68 115.64 125.58 1pmr s THR 41 Ca 0.10 -3.18 0.00 0.00 0.31 0.00 0.00 61.69 58.93 1pmr s THR 41 Cb -0.11 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.32 1pmr s THR 41 CO -0.27 -0.84 0.00 -0.67 -0.69 0.00 0.00 174.62 172.16 1pmr n ASP 42 N 3.26 0.00 0.17 3.53 -0.08 -1.26 -2.51 116.55 119.65 1pmr n ASP 42 Ca 0.06 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.47 1pmr n ASP 42 Cb 0.35 0.00 0.36 0.00 2.34 0.00 0.00 41.12 44.16 1pmr n ASP 42 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1pmr h LYS 43 N 0.00 0.00 -6.61 -0.67 3.64 -2.00 -3.44 116.57 107.49 1pmr h LYS 43 Ca 0.00 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.87 1pmr h LYS 43 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1pmr h LYS 43 CO 0.00 0.00 0.01 0.08 -2.27 0.00 0.00 179.45 177.27 1pmr s VAL 44 N -3.23 4.79 -0.26 2.00 1.01 -1.05 -5.07 120.40 118.60 1pmr s VAL 44 Ca 0.08 0.72 -0.01 0.00 0.00 0.00 0.00 61.98 62.77 1pmr s VAL 44 Cb 0.09 -3.62 0.08 0.00 0.00 0.00 0.00 36.38 32.93 1pmr s VAL 44 CO 0.60 -0.15 0.04 0.54 0.00 0.00 0.00 175.10 176.13 1pmr s VAL 45 N -1.93 1.03 0.49 2.92 0.11 -1.26 -1.65 120.40 120.11 1pmr s VAL 45 Ca 0.51 -1.19 -0.07 0.00 -2.93 0.00 0.00 61.98 58.30 1pmr s VAL 45 Cb -0.11 -1.59 -0.04 0.00 -1.53 0.00 0.00 36.38 33.11 1pmr s VAL 45 CO 0.20 -0.41 0.82 -0.76 -3.33 0.00 0.00 175.10 171.62 1pmr s LEU 46 N 1.58 3.59 0.00 2.54 1.43 -1.26 -4.83 118.68 121.73 1pmr s LEU 46 Ca 0.03 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 1pmr s LEU 46 Cb -0.18 -4.00 0.00 0.00 0.03 0.00 0.00 46.19 42.04 1pmr s LEU 46 CO -0.15 -0.60 0.00 -1.84 0.23 0.00 0.00 176.35 173.99 1pmr n GLU 47 N -2.20 1.94 -3.34 1.70 0.28 -1.26 -1.69 120.64 116.07 1pmr n GLU 47 Ca 0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.82 1pmr n GLU 47 Cb 0.55 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.34 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 -0.51 -0.21 -0.61 3.84 0.11 -1.20 -4.83 120.40 116.99 1pmr s VAL 48 Ca 0.00 -1.34 -0.27 0.00 -2.93 0.00 0.00 61.98 57.44 1pmr s VAL 48 Cb 0.00 -0.77 0.03 0.00 -1.53 0.00 0.00 36.38 34.12 1pmr s VAL 48 CO 0.00 -0.70 1.15 -2.16 -3.33 0.00 0.00 175.10 170.06 1pmr s PRO 49 N 1.13 3.41 0.00 1.54 0.04 -1.17 -3.24 135.00 136.72 1pmr s PRO 49 Ca 0.20 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1pmr s PRO 49 Cb -0.13 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1pmr s PRO 49 CO -0.04 -1.73 0.00 0.00 0.04 0.00 0.00 177.00 175.26 1pmr n ALA 50 N 8.40 0.00 -2.22 8.56 0.00 -1.00 -4.76 120.51 129.49 1pmr n ALA 50 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.51 1pmr n ALA 50 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.94 1pmr n ALA 50 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1pmr n SER 51 N -1.71 0.41 0.00 0.00 7.64 -1.26 -2.00 113.62 116.70 1pmr n SER 51 Ca 0.00 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 57.92 1pmr n SER 51 Cb 0.00 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1pmr n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pmr n ALA 52 N 0.22 0.00 -0.66 -0.43 0.00 -0.59 -3.80 120.51 115.25 1pmr n ALA 52 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1pmr n ALA 52 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.34 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 0.00 0.00 0.00 0.00 9.92 -1.09 -4.67 116.55 120.71 1pmr n ASP 53 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1pmr n ASP 53 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1pmr n ASP 53 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pmr n GLY 54 N 0.00 0.45 3.51 0.44 0.00 -1.16 -0.32 105.19 108.11 1pmr n GLY 54 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 -0.01 -1.53 -0.61 5.41 -1.10 -4.01 119.36 115.50 1pmr n ILE 55 Ca 0.00 -0.29 -0.24 0.00 1.00 0.00 0.00 62.75 63.22 1pmr n ILE 55 Cb 0.00 -0.88 -0.12 0.00 -0.71 0.00 0.00 39.64 37.93 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 10.86 0.79 -0.07 1.39 7.94 -1.25 -3.42 117.00 133.24 1pmr n LEU 56 Ca 0.60 -0.81 -0.09 0.00 -1.11 0.00 0.00 56.01 54.60 1pmr n LEU 56 Cb 0.17 -1.23 -0.08 0.00 0.53 0.00 0.00 43.42 42.81 1pmr n LEU 56 CO 0.91 -1.84 -0.95 -0.67 -1.11 0.00 0.00 177.39 173.72 1pmr n ASP 57 N 13.41 2.45 -3.39 1.96 2.03 -1.25 -2.21 116.55 129.56 1pmr n ASP 57 Ca 0.54 -0.05 -0.25 0.00 0.52 0.00 0.00 54.79 55.55 1pmr n ASP 57 Cb 0.32 0.22 -0.10 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.75 -1.09 -1.67 0.00 0.14 -4.96 121.76 112.63 1pmr s ALA 58 Ca -0.14 -1.87 -0.07 0.00 0.00 0.00 0.00 51.96 49.87 1pmr s ALA 58 Cb 0.05 -1.72 0.28 0.00 0.00 0.00 0.00 23.12 21.73 1pmr s ALA 58 CO 0.42 -2.07 1.16 0.28 0.00 0.00 0.00 175.76 175.54 1pmr n VAL 59 N 3.59 4.57 0.83 0.00 0.31 -1.25 0.89 118.33 127.27 1pmr n VAL 59 Ca 0.19 -5.47 0.07 0.00 -0.01 0.00 0.00 64.34 59.12 1pmr n VAL 59 Cb 0.43 -2.47 0.41 0.00 -0.91 0.00 0.00 33.84 31.31 1pmr n VAL 59 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1pmr n LEU 60 N 2.35 0.00 -2.70 7.52 4.77 -1.23 -3.14 117.00 124.57 1pmr n LEU 60 Ca 0.24 0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 56.23 1pmr n LEU 60 Cb 0.38 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1pmr n LEU 60 CO 0.51 -0.07 -0.07 -0.62 -1.33 0.00 0.00 177.39 175.80 1pmr n GLU 61 N -1.14 1.55 -1.42 3.23 1.02 0.04 -4.95 120.64 118.97 1pmr n GLU 61 Ca 0.09 -3.52 -0.37 0.00 -0.02 0.00 0.00 57.16 53.34 1pmr n GLU 61 Cb 0.08 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.06 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 -0.09 -0.95 -2.83 1.62 8.00 -1.19 -4.57 116.55 116.54 1pmr n ASP 62 Ca 0.16 0.69 -0.30 0.00 0.71 0.00 0.00 54.79 56.05 1pmr n ASP 62 Cb 0.76 -1.20 -0.02 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 -0.33 0.00 0.00 -1.24 0.28 -1.26 -2.73 120.64 115.36 1pmr n GLU 63 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 1pmr n GLU 63 Cb 0.48 -0.65 0.00 0.00 1.43 0.00 0.00 31.44 32.71 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 1.33 2.64 3.85 -1.84 0.00 -0.94 -4.89 105.19 105.33 1pmr n GLY 64 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1pmr n GLY 64 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pmr n THR 65 N -1.14 0.00 -4.26 2.61 -1.04 -1.10 -4.80 114.28 104.54 1pmr n THR 65 Ca 0.00 -1.15 -0.27 0.00 -2.04 0.00 0.00 64.05 60.59 1pmr n THR 65 Cb 0.00 -1.34 -0.09 0.00 -1.82 0.00 0.00 70.33 67.09 1pmr n THR 65 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1pmr s THR 66 N -3.66 3.35 0.24 12.58 2.01 -1.26 -1.77 115.64 127.12 1pmr s THR 66 Ca 0.72 -1.54 -0.12 0.00 0.31 0.00 0.00 61.69 61.06 1pmr s THR 66 Cb -0.02 -2.65 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 1pmr s THR 66 CO 0.50 -0.08 0.46 0.54 -0.69 0.00 0.00 174.62 175.35 1pmr s VAL 67 N -1.64 0.00 0.00 3.82 0.11 -1.18 -4.88 120.40 116.63 1pmr s VAL 67 Ca 0.25 -1.42 0.00 0.00 -2.93 0.00 0.00 61.98 57.88 1pmr s VAL 67 Cb -0.09 -2.19 0.00 0.00 -1.53 0.00 0.00 36.38 32.57 1pmr s VAL 67 CO 0.16 -0.01 0.00 1.07 -3.33 0.00 0.00 175.10 172.99 1pmr n THR 68 N -0.37 0.00 0.00 5.04 5.66 -1.26 -1.40 114.28 121.94 1pmr n THR 68 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 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 -1.54 -3.05 0.00 0.00 175.07 170.48 1pmr n SER 69 N 0.00 0.00 -2.51 1.09 3.41 -1.26 -4.46 113.62 109.88 1pmr n SER 69 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.38 1pmr n SER 69 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 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 0.00 2.68 0.00 4.33 0.63 -0.70 -3.28 116.66 120.31 1pmr n ARG 70 Ca 0.00 -1.77 0.00 0.00 -0.92 0.00 0.00 57.85 55.16 1pmr n ARG 70 Cb 0.00 -2.25 0.00 0.00 0.45 0.00 0.00 32.46 30.66 1pmr n ARG 70 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1pmr n GLN 71 N 2.29 0.00 0.00 -0.14 1.13 -1.26 -4.57 117.38 114.84 1pmr n GLN 71 Ca 0.53 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 1pmr n GLN 71 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.99 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 0.40 5.09 3.06 -1.26 -4.54 119.36 122.11 1pmr n ILE 72 Ca 0.00 0.00 0.13 0.00 -2.50 0.00 0.00 62.75 60.38 1pmr n ILE 72 Cb 0.00 0.00 0.37 0.00 0.54 0.00 0.00 39.64 40.55 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 0.00 0.00 9.51 5.85 -1.01 -3.43 115.31 126.22 1pmr h LEU 73 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1pmr h LEU 73 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1pmr h LEU 73 CO 0.00 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.71 1pmr n GLY 74 N 0.89 3.88 3.61 3.75 0.00 -1.18 -0.78 105.19 115.36 1pmr n GLY 74 Ca 0.04 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.76 2.29 0.00 1.61 1.70 0.26 -2.68 118.95 119.37 1pmr s ARG 75 Ca 0.00 -0.93 0.00 0.00 -0.47 0.00 0.00 55.73 54.33 1pmr s ARG 75 Cb 0.00 -2.39 0.00 0.00 -0.57 0.00 0.00 34.95 31.99 1pmr s ARG 75 CO 0.00 0.53 0.00 1.28 -1.08 0.00 0.00 175.30 176.03 1pmr n LEU 76 N 0.79 0.00 -3.48 -1.89 4.77 -1.14 0.25 117.00 116.31 1pmr n LEU 76 Ca -0.13 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.73 1pmr n LEU 76 Cb 0.52 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 1pmr n LEU 76 CO 0.34 -0.08 0.54 -0.60 -1.33 0.00 0.00 177.39 176.26 1pmr s ARG 77 N -0.17 1.02 0.00 3.23 3.52 -1.22 -3.77 118.95 121.56 1pmr s ARG 77 Ca 0.00 -0.22 0.00 0.00 -0.13 0.00 0.00 55.73 55.38 1pmr s ARG 77 Cb 0.00 0.47 0.00 0.00 -1.56 0.00 0.00 34.95 33.86 1pmr s ARG 77 CO 0.00 -0.42 0.00 -1.91 -0.81 0.00 0.00 175.30 172.16 1pmr n GLU 78 N 0.00 0.00 0.06 5.12 4.07 -1.15 -1.24 120.64 127.51 1pmr n GLU 78 Ca -0.14 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.96 1pmr n GLU 78 Cb 0.62 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.00 1pmr n GLU 78 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1pmr n GLY 79 N 0.00 -1.62 3.50 8.31 0.00 -1.26 -3.14 105.19 110.97 1pmr n GLY 79 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1pmr n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02