#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 -0.14 -1.05 6.43 0.01 -1.26 -2.92 113.70 114.77 1pmr s SER 2 Ca 0.00 -0.80 -0.24 0.00 1.31 0.00 0.00 55.95 56.22 1pmr s SER 2 Cb 0.00 0.75 -0.07 0.00 0.21 0.00 0.00 66.02 66.91 1pmr s SER 2 CO 0.00 -1.43 1.95 -0.69 0.41 0.00 0.00 173.24 173.48 1pmr s VAL 3 N -3.17 3.49 -1.15 3.43 1.01 -1.08 -4.56 120.40 118.38 1pmr s VAL 3 Ca 0.13 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 1pmr s VAL 3 Cb -0.05 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 1pmr s VAL 3 CO 0.08 -0.95 1.80 -1.81 0.00 0.00 0.00 175.10 174.22 1pmr s ASP 4 N 7.27 5.85 0.01 3.32 1.11 -1.26 -3.00 116.67 129.96 1pmr s ASP 4 Ca 0.70 -1.71 0.00 0.00 0.18 0.00 0.00 52.55 51.72 1pmr s ASP 4 Cb -0.04 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 1pmr s ASP 4 CO 0.07 -2.17 0.09 -0.51 1.18 0.00 0.00 175.17 173.82 1pmr s ILE 5 N 7.77 4.73 0.00 0.77 1.10 -1.17 -5.02 121.20 129.39 1pmr s ILE 5 Ca 0.61 -0.46 0.00 0.00 -0.51 0.00 0.00 60.65 60.29 1pmr s ILE 5 Cb -0.00 -3.19 0.00 0.00 0.15 0.00 0.00 42.46 39.42 1pmr s ILE 5 CO 0.05 0.31 0.00 0.00 -2.11 0.00 0.00 174.94 173.19 1pmr n LEU 6 N 1.04 0.00 -3.61 8.50 -0.00 -1.26 0.45 117.00 122.12 1pmr n LEU 6 Ca -0.12 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.60 1pmr n LEU 6 Cb 0.52 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.82 1pmr n LEU 6 CO 0.40 0.00 -0.26 -0.69 -0.00 0.00 0.00 177.39 176.84 1pmr s VAL 7 N -1.07 1.06 -0.76 1.47 1.01 -1.25 -4.66 120.40 116.20 1pmr s VAL 7 Ca 0.00 -2.56 -0.07 0.00 0.00 0.00 0.00 61.98 59.35 1pmr s VAL 7 Cb 0.00 -1.74 -0.15 0.00 0.00 0.00 0.00 36.38 34.49 1pmr s VAL 7 CO 0.00 -1.00 3.23 -0.81 0.00 0.00 0.00 175.10 176.52 1pmr n PRO 8 N 3.36 2.87 -0.01 2.72 -0.04 -1.26 -1.57 135.00 141.07 1pmr n PRO 8 Ca 0.15 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.88 1pmr n PRO 8 Cb 0.38 -2.36 0.01 0.00 -0.04 0.00 0.00 33.50 31.48 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 2.75 1.76 -4.51 3.54 9.92 -1.26 -4.99 116.55 123.76 1pmr n ASP 9 Ca 0.59 -1.72 -0.63 0.00 -0.53 0.00 0.00 54.79 52.50 1pmr n ASP 9 Cb 0.58 -0.01 -0.10 0.00 -0.64 0.00 0.00 41.12 40.95 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 -0.31 1.17 0.00 0.64 -0.00 -1.26 -4.91 117.00 112.33 1pmr n LEU 10 Ca 0.00 0.91 0.00 0.00 -0.00 0.00 0.00 56.01 56.92 1pmr n LEU 10 Cb 0.19 -0.94 0.00 0.00 -0.00 0.00 0.00 43.42 42.67 1pmr n LEU 10 CO 0.00 -0.77 0.00 -0.81 -0.00 0.00 0.00 177.39 175.82 1pmr n PRO 11 N 5.92 1.18 -0.75 1.47 -0.04 -1.26 -4.88 135.00 136.63 1pmr n PRO 11 Ca 0.42 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.74 1pmr n PRO 11 Cb -0.02 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.50 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 0.00 1.69 -3.66 0.54 -0.58 -1.26 -4.84 120.64 112.52 1pmr n GLU 12 Ca 0.00 -1.43 -0.15 0.00 -0.42 0.00 0.00 57.16 55.16 1pmr n GLU 12 Cb 0.00 -1.56 -0.08 0.00 -0.57 0.00 0.00 31.44 29.23 1pmr n GLU 12 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1pmr s SER 13 N 0.16 -0.38 -0.88 1.62 0.01 -1.26 -5.06 113.70 107.91 1pmr s SER 13 Ca 0.28 0.35 -0.01 0.00 1.31 0.00 0.00 55.95 57.88 1pmr s SER 13 Cb 0.22 0.41 0.34 0.00 0.21 0.00 0.00 66.02 67.20 1pmr s SER 13 CO 0.02 -0.51 1.84 0.55 0.41 0.00 0.00 173.24 175.54 1pmr n VAL 14 N 1.13 4.44 1.33 3.43 3.14 -1.26 -4.63 118.33 125.90 1pmr n VAL 14 Ca -0.21 -5.05 0.08 0.00 -2.96 0.00 0.00 64.34 56.21 1pmr n VAL 14 Cb 0.56 -1.37 0.31 0.00 -1.06 0.00 0.00 33.84 32.28 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 -0.34 2.51 -0.94 1.55 0.00 -1.26 -5.02 120.51 117.01 1pmr n ALA 15 Ca 0.49 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1pmr n ALA 15 Cb 0.28 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 0.12 -3.73 -1.33 0.00 8.00 -1.26 -5.01 116.55 113.34 1pmr n ASP 16 Ca 0.13 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.63 1pmr n ASP 16 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 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 1.35 -0.39 -3.42 2.24 0.00 0.08 -4.63 120.51 115.74 1pmr n ALA 17 Ca 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 1pmr n ALA 17 Cb 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.43 -0.00 -0.71 0.00 2.01 -0.83 -1.64 115.64 112.03 1pmr s THR 18 Ca 0.03 0.01 -0.27 0.00 0.31 0.00 0.00 61.69 61.78 1pmr s THR 18 Cb -0.00 -0.67 0.01 0.00 0.01 0.00 0.00 72.50 71.85 1pmr s THR 18 CO 0.01 0.00 1.47 -0.69 -0.69 0.00 0.00 174.62 174.72 1pmr s VAL 19 N 0.43 3.61 0.09 3.82 1.01 -1.14 0.14 120.40 128.37 1pmr s VAL 19 Ca -0.01 0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 1pmr s VAL 19 Cb -0.04 -4.62 -0.13 0.00 0.00 0.00 0.00 36.38 31.59 1pmr s VAL 19 CO -0.02 -1.56 1.64 0.00 0.00 0.00 0.00 175.10 175.16 1pmr h ALA 20 N 11.52 -0.58 -1.56 5.51 0.00 0.10 0.21 119.26 134.47 1pmr h ALA 20 Ca -0.25 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.67 1pmr h ALA 20 Cb 1.08 0.36 -0.27 0.00 0.00 0.00 0.00 17.79 18.96 1pmr h ALA 20 CO 1.27 -0.85 0.38 0.99 0.00 0.00 0.00 179.25 181.03 1pmr s THR 21 N -6.07 0.00 0.00 0.00 2.01 -1.14 -4.30 115.64 106.15 1pmr s THR 21 Ca -0.16 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1pmr s THR 21 Cb 0.06 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.57 1pmr s THR 21 CO 0.64 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 175.36 1pmr n TRP 22 N 3.57 -1.20 -2.37 4.92 7.02 -1.26 -2.59 117.44 125.54 1pmr n TRP 22 Ca -0.18 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.27 1pmr n TRP 22 Cb 0.57 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.48 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 -1.12 -0.52 -4.75 -5.99 8.25 -1.26 -4.81 115.22 105.02 1pmr n HIS 23 Ca 0.00 -1.05 -0.28 0.00 -0.26 0.00 0.00 57.72 56.13 1pmr n HIS 23 Cb 0.00 0.67 -0.17 0.00 1.12 0.00 0.00 29.99 31.61 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 -0.34 2.33 0.47 -0.41 -0.14 -1.26 -4.85 119.74 115.54 1pmr s LYS 24 Ca 0.10 -0.62 -0.08 0.00 -1.36 0.00 0.00 55.97 54.01 1pmr s LYS 24 Cb 0.23 -1.87 0.11 0.00 -1.68 0.00 0.00 37.83 34.61 1pmr s LYS 24 CO -0.07 0.05 0.63 1.63 -0.76 0.00 0.00 175.35 176.83 1pmr n LYS 25 N 3.85 -0.63 -1.98 1.68 4.76 -1.26 -4.84 118.16 119.73 1pmr n LYS 25 Ca -0.20 -0.98 -0.25 0.00 -2.87 0.00 0.00 58.31 54.00 1pmr n LYS 25 Cb 0.52 -0.66 -0.06 0.00 -1.84 0.00 0.00 35.03 32.99 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 -4.39 2.32 -0.07 1.97 0.04 -1.26 -3.24 135.00 130.38 1pmr s PRO 26 Ca 0.36 -0.70 -0.00 0.00 0.04 0.00 0.00 61.00 60.70 1pmr s PRO 26 Cb -0.01 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.40 1pmr s PRO 26 CO 0.25 -3.97 0.06 0.41 0.04 0.00 0.00 177.00 173.80 1pmr n GLY 27 N 6.25 0.51 0.00 0.56 0.00 -0.25 -4.82 105.19 107.45 1pmr n GLY 27 Ca 0.43 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.53 0.00 0.00 1.61 8.00 -1.20 -4.63 116.55 119.81 1pmr n ASP 28 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 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 -3.23 2.24 0.00 -1.21 -4.68 120.51 110.62 1pmr n ALA 29 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1pmr n ALA 29 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 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 0.00 0.00 0.00 0.00 3.14 -0.16 -4.91 118.33 116.39 1pmr n VAL 30 Ca 0.00 -1.52 0.00 0.00 -2.96 0.00 0.00 64.34 59.86 1pmr n VAL 30 Cb 0.00 -0.50 0.00 0.00 -1.06 0.00 0.00 33.84 32.28 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 -1.84 0.00 -1.93 1.55 0.24 -1.26 -2.80 118.33 112.30 1pmr n VAL 31 Ca 0.09 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.98 1pmr n VAL 31 Cb 0.46 0.00 -0.01 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 4.01 0.00 7.34 1.74 -1.26 -2.39 116.66 126.10 1pmr n ARG 32 Ca 0.00 -3.16 0.00 0.00 -0.77 0.00 0.00 57.85 53.92 1pmr n ARG 32 Cb 0.00 -2.80 0.00 0.00 -1.02 0.00 0.00 32.46 28.64 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 3.04 0.00 -3.18 0.55 8.00 -1.25 -4.98 116.55 118.73 1pmr n ASP 33 Ca 0.59 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 56.00 1pmr n ASP 33 Cb 0.29 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.42 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 0.68 -1.03 -1.24 0.00 -1.16 -4.79 120.64 113.10 1pmr n GLU 34 Ca 0.00 -1.25 -0.36 0.00 0.00 0.00 0.00 57.16 55.55 1pmr n GLU 34 Cb 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 31.44 31.34 1pmr n GLU 34 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1pmr n VAL 35 N -1.67 0.26 -3.17 6.31 3.14 -1.26 -3.99 118.33 117.95 1pmr n VAL 35 Ca 0.07 -0.42 -0.22 0.00 -2.96 0.00 0.00 64.34 60.81 1pmr n VAL 35 Cb 0.25 -0.24 -0.05 0.00 -1.06 0.00 0.00 33.84 32.75 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 1.79 1.60 -3.78 6.55 -0.00 -1.22 -2.75 117.00 119.18 1pmr n LEU 36 Ca 0.03 -5.09 -0.36 0.00 -0.00 0.00 0.00 56.01 50.58 1pmr n LEU 36 Cb 0.53 0.34 0.03 0.00 -0.00 0.00 0.00 43.42 44.32 1pmr n LEU 36 CO 0.52 2.23 -1.93 0.55 -0.00 0.00 0.00 177.39 178.76 1pmr n VAL 37 N 0.51 0.00 -5.08 1.47 3.14 -1.25 -4.16 118.33 112.97 1pmr n VAL 37 Ca 0.26 -0.07 -0.28 0.00 -2.96 0.00 0.00 64.34 61.28 1pmr n VAL 37 Cb 0.56 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 33.18 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 -1.89 1.80 0.00 1.45 2.02 -1.07 -3.28 118.70 117.73 1pmr s GLU 38 Ca 0.35 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.56 1pmr s GLU 38 Cb 0.06 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.57 1pmr s GLU 38 CO 0.65 0.46 0.00 1.51 0.02 0.00 0.00 175.26 177.90 1pmr n ILE 39 N 2.58 0.00 -3.65 -1.63 3.06 -0.99 0.72 119.36 119.46 1pmr n ILE 39 Ca -0.16 0.00 -0.20 0.00 -2.50 0.00 0.00 62.75 59.89 1pmr n ILE 39 Cb 0.52 0.00 -0.17 0.00 0.54 0.00 0.00 39.64 40.54 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 0.10 -0.00 0.02 9.51 0.41 0.38 -4.39 118.70 124.73 1pmr s GLU 40 Ca 0.00 0.33 -0.03 0.00 -0.41 0.00 0.00 54.97 54.87 1pmr s GLU 40 Cb 0.00 -0.74 -0.01 0.00 -1.78 0.00 0.00 34.13 31.60 1pmr s GLU 40 CO 0.00 -0.41 -0.05 -2.37 -0.49 0.00 0.00 175.26 171.94 1pmr n THR 41 N 5.31 0.76 0.00 3.63 5.66 -1.17 -1.96 114.28 126.51 1pmr n THR 41 Ca -0.04 0.25 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 1pmr n THR 41 Cb 0.50 -1.50 0.00 0.00 -1.55 0.00 0.00 70.33 67.77 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 -3.22 0.00 0.00 1.09 -0.08 -1.26 -4.90 116.55 108.18 1pmr n ASP 42 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1pmr n ASP 42 Cb 0.07 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.53 1pmr n ASP 42 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1pmr n LYS 43 N 0.00 0.00 -4.22 -0.67 4.81 -1.26 -4.98 118.16 111.84 1pmr n LYS 43 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 1pmr n LYS 43 Cb 0.00 -0.26 -0.07 0.00 0.02 0.00 0.00 35.03 34.72 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 3.07 -0.09 3.15 1.01 -1.26 -5.13 120.40 119.87 1pmr s VAL 44 Ca 0.00 -1.84 -0.00 0.00 0.00 0.00 0.00 61.98 60.14 1pmr s VAL 44 Cb 0.00 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.52 1pmr s VAL 44 CO 0.00 -0.25 -0.06 -0.69 0.00 0.00 0.00 175.10 174.10 1pmr s VAL 45 N -2.41 0.79 0.60 2.92 1.01 -1.26 -3.03 120.40 119.02 1pmr s VAL 45 Ca 0.35 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 1pmr s VAL 45 Cb -0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1pmr s VAL 45 CO 0.21 0.32 1.02 -0.76 0.00 0.00 0.00 175.10 175.89 1pmr s LEU 46 N 1.51 3.30 0.50 3.92 1.43 -1.26 -4.80 118.68 123.28 1pmr s LEU 46 Ca -0.00 1.46 0.02 0.00 -1.03 0.00 0.00 54.13 54.58 1pmr s LEU 46 Cb -0.13 -4.48 -0.02 0.00 0.03 0.00 0.00 46.19 41.59 1pmr s LEU 46 CO -0.05 -0.85 0.01 -1.83 0.23 0.00 0.00 176.35 173.87 1pmr s GLU 47 N -4.95 2.17 -0.43 1.70 1.03 -1.26 -2.36 118.70 114.60 1pmr s GLU 47 Ca 0.56 -2.38 0.05 0.00 0.03 0.00 0.00 54.97 53.24 1pmr s GLU 47 Cb -0.11 -1.46 0.19 0.00 -0.80 0.00 0.00 34.13 31.95 1pmr s GLU 47 CO 0.50 -0.36 0.47 1.55 -1.33 0.00 0.00 175.26 176.09 1pmr n VAL 48 N -1.23 -0.84 -2.65 1.83 3.14 -1.21 -4.80 118.33 112.58 1pmr n VAL 48 Ca -0.18 -2.93 -0.43 0.00 -2.96 0.00 0.00 64.34 57.85 1pmr n VAL 48 Cb 0.67 -1.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.42 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 0.07 3.62 0.00 1.45 0.04 -1.14 -3.44 135.00 135.59 1pmr s PRO 49 Ca 0.33 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.74 1pmr s PRO 49 Cb 0.06 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.66 1pmr s PRO 49 CO -0.16 -1.44 0.00 0.00 0.04 0.00 0.00 177.00 175.44 1pmr n ALA 50 N 7.86 0.00 -1.11 8.56 0.00 -1.11 -4.79 120.51 129.92 1pmr n ALA 50 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1pmr n ALA 50 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 0.00 0.00 0.00 3.41 -1.26 -2.98 113.62 112.79 1pmr n SER 51 Ca 0.00 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 1pmr n SER 51 Cb 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 0.00 0.00 -0.02 7.33 0.00 -1.01 -3.88 120.51 122.93 1pmr n ALA 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pmr n ALA 52 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.80 0.00 -0.08 -1.12 -4.76 116.55 109.79 1pmr n ASP 53 Ca 0.00 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.24 1pmr n ASP 53 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 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 0.36 3.56 0.27 0.00 -1.26 -0.99 105.19 107.14 1pmr n GLY 54 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.10 3.41 -0.81 -0.61 1.01 -1.26 -4.01 121.20 117.83 1pmr s ILE 55 Ca 0.00 -0.38 -0.35 0.00 0.00 0.00 0.00 60.65 59.91 1pmr s ILE 55 Cb 0.00 -3.96 -0.20 0.00 0.01 0.00 0.00 42.46 38.31 1pmr s ILE 55 CO 0.00 -0.84 2.50 -0.11 0.00 0.00 0.00 174.94 176.49 1pmr n LEU 56 N 14.61 0.54 0.01 2.97 -0.00 -1.25 -3.11 117.00 130.78 1pmr n LEU 56 Ca 0.41 0.33 0.00 0.00 -0.00 0.00 0.00 56.01 56.75 1pmr n LEU 56 Cb 0.46 -0.94 0.00 0.00 -0.00 0.00 0.00 43.42 42.94 1pmr n LEU 56 CO 0.60 -0.76 -0.34 -0.67 -0.00 0.00 0.00 177.39 176.23 1pmr n ASP 57 N 9.67 0.18 -3.51 1.96 2.03 -1.26 -1.09 116.55 124.54 1pmr n ASP 57 Ca 0.61 0.04 -0.28 0.00 0.52 0.00 0.00 54.79 55.68 1pmr n ASP 57 Cb 0.03 -0.04 -0.11 0.00 -0.72 0.00 0.00 41.12 40.27 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 -2.00 1.73 -0.66 -1.67 0.00 0.68 -4.98 121.76 114.87 1pmr s ALA 58 Ca 0.00 -2.57 -0.28 0.00 0.00 0.00 0.00 51.96 49.12 1pmr s ALA 58 Cb 0.00 -1.70 0.03 0.00 0.00 0.00 0.00 23.12 21.45 1pmr s ALA 58 CO 0.00 -2.02 1.24 0.08 0.00 0.00 0.00 175.76 175.06 1pmr s VAL 59 N 0.04 3.87 -0.79 0.00 1.01 -1.21 -0.36 120.40 122.95 1pmr s VAL 59 Ca 0.28 0.67 0.17 0.00 0.00 0.00 0.00 61.98 63.10 1pmr s VAL 59 Cb -0.04 -4.81 0.16 0.00 0.00 0.00 0.00 36.38 31.69 1pmr s VAL 59 CO -0.14 -1.58 1.54 0.18 0.00 0.00 0.00 175.10 175.10 1pmr n LEU 60 N 8.92 0.26 -2.90 3.92 4.77 -1.22 -3.03 117.00 127.73 1pmr n LEU 60 Ca 0.06 0.57 -0.19 0.00 -0.03 0.00 0.00 56.01 56.42 1pmr n LEU 60 Cb 0.49 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1pmr n LEU 60 CO 0.71 -0.39 -0.05 -0.62 -1.33 0.00 0.00 177.39 175.71 1pmr n GLU 61 N -1.79 1.90 -1.45 3.23 -0.58 0.20 -4.92 120.64 117.23 1pmr n GLU 61 Ca 0.03 -3.86 -0.52 0.00 -0.42 0.00 0.00 57.16 52.39 1pmr n GLU 61 Cb 0.18 -1.80 -0.05 0.00 -0.57 0.00 0.00 31.44 29.21 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 -0.04 -0.60 -4.49 1.62 8.00 -1.17 -4.57 116.55 115.30 1pmr n ASP 62 Ca 0.25 1.14 -0.61 0.00 0.71 0.00 0.00 54.79 56.27 1pmr n ASP 62 Cb 0.64 -0.96 -0.09 0.00 -0.02 0.00 0.00 41.12 40.69 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 1.21 0.00 0.00 -1.24 0.28 -1.26 -2.25 120.64 117.38 1pmr n GLU 63 Ca 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 1pmr n GLU 63 Cb 0.19 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 31.60 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 1.08 3.92 -1.84 0.00 0.74 -4.92 105.19 106.71 1pmr n GLY 64 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 5.25 0.67 2.61 2.01 -0.95 -4.90 115.64 118.33 1pmr s THR 65 Ca 0.00 -0.36 -0.15 0.00 0.31 0.00 0.00 61.69 61.49 1pmr s THR 65 Cb 0.00 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1pmr s THR 65 CO 0.00 -0.07 1.11 -0.89 -0.69 0.00 0.00 174.62 174.08 1pmr s THR 66 N -1.75 3.25 0.14 -0.82 2.01 -1.26 -2.88 115.64 114.33 1pmr s THR 66 Ca 0.38 0.56 -0.12 0.00 0.31 0.00 0.00 61.69 62.82 1pmr s THR 66 Cb -0.12 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.32 1pmr s THR 66 CO 0.28 -0.38 0.33 0.54 -0.69 0.00 0.00 174.62 174.70 1pmr s VAL 67 N -2.39 0.08 0.00 3.82 0.11 -0.65 -4.85 120.40 116.51 1pmr s VAL 67 Ca 0.66 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.69 1pmr s VAL 67 Cb -0.20 -1.49 0.00 0.00 -1.53 0.00 0.00 36.38 33.16 1pmr s VAL 67 CO 0.43 -0.37 0.00 0.41 -3.33 0.00 0.00 175.10 172.24 1pmr n THR 68 N -0.20 0.00 0.00 5.04 -1.04 -1.26 -0.74 114.28 116.08 1pmr n THR 68 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1pmr n THR 68 Cb 0.63 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 1pmr n THR 68 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1pmr n SER 69 N 0.00 0.00 -1.50 8.00 3.41 -1.26 -4.29 113.62 117.98 1pmr n SER 69 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1pmr n SER 69 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1pmr n SER 69 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pmr n ARG 70 N 0.00 1.02 -1.72 4.33 1.74 -0.61 -3.83 116.66 117.59 1pmr n ARG 70 Ca 0.00 -0.04 -0.41 0.00 -0.77 0.00 0.00 57.85 56.63 1pmr n ARG 70 Cb 0.00 -1.01 -0.03 0.00 -1.02 0.00 0.00 32.46 30.40 1pmr n ARG 70 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1pmr s GLN 71 N -0.04 2.90 -0.45 5.56 -1.52 -1.26 -3.93 119.66 120.92 1pmr s GLN 71 Ca 0.01 1.65 -0.41 0.00 -1.95 0.00 0.00 55.36 54.65 1pmr s GLN 71 Cb 0.01 -4.38 -0.17 0.00 -0.22 0.00 0.00 33.01 28.24 1pmr s GLN 71 CO -0.00 -2.36 2.13 1.51 -0.25 0.00 0.00 175.29 176.32 1pmr n ILE 72 N 7.70 0.06 -0.27 1.08 3.06 -1.26 -3.86 119.36 125.86 1pmr n ILE 72 Ca 0.29 -0.07 0.14 0.00 -2.50 0.00 0.00 62.75 60.61 1pmr n ILE 72 Cb 0.48 -0.84 0.41 0.00 0.54 0.00 0.00 39.64 40.23 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 9.84 0.60 0.00 9.51 -0.00 -0.27 -3.41 115.31 131.58 1pmr h LEU 73 Ca -0.16 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1pmr h LEU 73 Cb 1.39 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.99 1pmr h LEU 73 CO 1.06 0.27 0.00 0.61 -0.00 0.00 0.00 178.44 180.38 1pmr n GLY 74 N -1.44 2.89 3.63 0.83 0.00 -1.20 0.58 105.19 110.48 1pmr n GLY 74 Ca 0.19 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.13 3.17 0.00 1.61 1.70 0.51 -3.01 118.95 120.80 1pmr s ARG 75 Ca 0.00 -0.44 0.00 0.00 -0.47 0.00 0.00 55.73 54.82 1pmr s ARG 75 Cb 0.00 -2.83 0.00 0.00 -0.57 0.00 0.00 34.95 31.55 1pmr s ARG 75 CO 0.00 0.57 0.00 1.28 -1.08 0.00 0.00 175.30 176.07 1pmr n LEU 76 N 2.53 0.00 -3.73 -1.89 4.32 -1.16 -0.23 117.00 116.83 1pmr n LEU 76 Ca -0.18 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.70 1pmr n LEU 76 Cb 0.53 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.27 1pmr n LEU 76 CO 0.30 0.00 0.05 -0.60 -1.22 0.00 0.00 177.39 175.91 1pmr s ARG 77 N 0.41 0.91 0.15 3.23 6.06 -1.18 -3.97 118.95 124.56 1pmr s ARG 77 Ca 0.00 -0.67 -0.12 0.00 -2.50 0.00 0.00 55.73 52.44 1pmr s ARG 77 Cb 0.00 0.39 0.01 0.00 0.06 0.00 0.00 34.95 35.41 1pmr s ARG 77 CO 0.00 -0.32 0.35 -2.00 -2.50 0.00 0.00 175.30 170.83 1pmr s GLU 78 N -3.27 1.14 0.00 5.12 2.12 -1.15 -2.63 118.70 120.02 1pmr s GLU 78 Ca -0.00 -0.97 0.00 0.00 0.36 0.00 0.00 54.97 54.36 1pmr s GLU 78 Cb 0.01 0.42 0.00 0.00 0.26 0.00 0.00 34.13 34.83 1pmr s GLU 78 CO -0.08 -0.43 0.64 0.41 -0.54 0.00 0.00 175.26 175.26 1pmr n GLY 79 N -0.22 0.87 3.79 -1.50 0.00 -1.26 -4.74 105.19 102.12 1pmr n GLY 79 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1pmr n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02