#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 -0.33 -1.36 6.43 0.01 -1.23 -2.44 113.70 114.78 1pmr s SER 2 Ca 0.00 -0.09 -0.16 0.00 1.31 0.00 0.00 55.95 57.01 1pmr s SER 2 Cb 0.00 0.41 0.06 0.00 0.21 0.00 0.00 66.02 66.70 1pmr s SER 2 CO 0.00 -0.69 1.94 0.52 0.41 0.00 0.00 173.24 175.42 1pmr n VAL 3 N -0.30 3.77 -2.36 3.43 0.31 -1.14 -4.40 118.33 117.64 1pmr n VAL 3 Ca -0.08 -3.69 -0.41 0.00 -0.01 0.00 0.00 64.34 60.15 1pmr n VAL 3 Cb 0.62 -2.46 -0.01 0.00 -0.91 0.00 0.00 33.84 31.08 1pmr n VAL 3 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1pmr n ASP 4 N 7.24 4.53 -4.88 4.52 9.92 -1.25 -2.67 116.55 133.95 1pmr n ASP 4 Ca 0.50 -2.88 -0.30 0.00 -0.53 0.00 0.00 54.79 51.58 1pmr n ASP 4 Cb 0.43 -1.72 -0.03 0.00 -0.64 0.00 0.00 41.12 39.15 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 4.77 4.85 0.00 0.53 1.10 -0.74 -4.92 121.20 126.79 1pmr s ILE 5 Ca 0.54 0.47 0.00 0.00 -0.51 0.00 0.00 60.65 61.15 1pmr s ILE 5 Cb 0.05 -3.72 0.00 0.00 0.15 0.00 0.00 42.46 38.94 1pmr s ILE 5 CO 0.06 -0.43 0.00 0.18 -2.11 0.00 0.00 174.94 172.64 1pmr n LEU 6 N -1.10 0.00 -3.12 8.50 4.32 -1.26 0.70 117.00 125.05 1pmr n LEU 6 Ca 0.01 0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 55.79 1pmr n LEU 6 Cb 0.54 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.30 1pmr n LEU 6 CO 0.47 0.00 -0.11 0.52 -1.22 0.00 0.00 177.39 177.05 1pmr n VAL 7 N 0.00 0.83 0.30 4.08 0.31 -0.33 -4.59 118.33 118.94 1pmr n VAL 7 Ca 0.00 -4.88 -0.02 0.00 -0.01 0.00 0.00 64.34 59.44 1pmr n VAL 7 Cb 0.00 -0.70 0.01 0.00 -0.91 0.00 0.00 33.84 32.23 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 0.18 1.08 -0.67 5.55 -0.04 -1.26 -1.69 135.00 138.14 1pmr n PRO 8 Ca 0.27 -0.18 0.04 0.00 -0.04 0.00 0.00 63.50 63.59 1pmr n PRO 8 Cb 0.57 -1.07 0.28 0.00 -0.04 0.00 0.00 33.50 33.24 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 0.79 4.11 -3.32 3.54 9.92 -1.26 -4.68 116.55 125.64 1pmr n ASP 9 Ca 0.03 -3.16 -0.26 0.00 -0.53 0.00 0.00 54.79 50.88 1pmr n ASP 9 Cb 0.54 -0.62 -0.08 0.00 -0.64 0.00 0.00 41.12 40.33 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 -0.40 1.90 0.00 0.64 4.77 -1.26 -5.00 117.00 117.66 1pmr n LEU 10 Ca 0.28 -5.05 -0.04 0.00 -0.03 0.00 0.00 56.01 51.17 1pmr n LEU 10 Cb 1.06 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.17 1pmr n LEU 10 CO 0.24 2.05 0.12 -0.81 -1.33 0.00 0.00 177.39 177.66 1pmr n PRO 11 N 1.19 -0.41 0.00 3.23 -0.04 -1.26 -4.61 135.00 133.10 1pmr n PRO 11 Ca 0.25 -0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1pmr n PRO 11 Cb 0.47 -0.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.72 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 -1.52 0.00 -1.21 0.54 -0.58 -1.26 -4.36 120.64 112.24 1pmr n GLU 12 Ca 0.02 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.47 1pmr n GLU 12 Cb 0.08 0.00 0.21 0.00 -0.57 0.00 0.00 31.44 31.16 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 -3.81 1.88 -0.42 1.62 0.01 -1.26 -5.03 113.70 106.69 1pmr s SER 13 Ca 0.00 0.82 0.06 0.00 1.31 0.00 0.00 55.95 58.15 1pmr s SER 13 Cb 0.00 -1.23 0.22 0.00 0.21 0.00 0.00 66.02 65.21 1pmr s SER 13 CO 0.00 -3.55 0.51 0.52 0.41 0.00 0.00 173.24 171.12 1pmr n VAL 14 N -4.41 -0.77 0.97 3.43 0.31 -1.26 -4.88 118.33 111.72 1pmr n VAL 14 Ca 0.10 -3.34 0.03 0.00 -0.01 0.00 0.00 64.34 61.12 1pmr n VAL 14 Cb 0.59 -1.30 0.10 0.00 -0.91 0.00 0.00 33.84 32.32 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 2.06 2.64 -0.42 3.52 0.00 -1.26 -5.01 120.51 122.04 1pmr n ALA 15 Ca 0.23 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1pmr n ALA 15 Cb 0.52 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 0.15 -1.69 -0.44 0.00 5.68 -1.26 -4.97 116.55 114.02 1pmr n ASP 16 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 1pmr n ASP 16 Cb 0.32 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 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 0.92 0.00 -3.60 2.12 0.00 -0.56 -4.68 120.51 114.72 1pmr n ALA 17 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1pmr n ALA 17 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.48 -0.99 0.17 0.00 2.01 -0.48 -2.26 115.64 111.60 1pmr s THR 18 Ca 0.00 0.00 -0.33 0.00 0.31 0.00 0.00 61.69 61.67 1pmr s THR 18 Cb 0.00 -1.00 -0.16 0.00 0.01 0.00 0.00 72.50 71.35 1pmr s THR 18 CO 0.00 0.00 1.18 0.52 -0.69 0.00 0.00 174.62 175.63 1pmr n VAL 19 N 5.44 0.82 -0.06 3.82 0.31 -1.01 -0.66 118.33 126.99 1pmr n VAL 19 Ca -0.11 -0.21 -0.10 0.00 -0.01 0.00 0.00 64.34 63.92 1pmr n VAL 19 Cb 0.49 -0.84 -0.03 0.00 -0.91 0.00 0.00 33.84 32.55 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 1.58 1.65 -3.59 3.52 0.00 0.59 -0.74 120.51 123.52 1pmr n ALA 20 Ca 0.15 -0.59 -0.00 0.00 0.00 0.00 0.00 53.44 53.00 1pmr n ALA 20 Cb 0.24 0.14 -0.04 0.00 0.00 0.00 0.00 19.45 19.80 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 -2.53 -0.96 0.00 0.00 2.01 -1.12 -4.39 115.64 108.64 1pmr s THR 21 Ca -0.21 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.79 1pmr s THR 21 Cb 0.05 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.56 1pmr s THR 21 CO 0.29 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 175.01 1pmr n TRP 22 N 5.41 -1.88 -2.69 4.92 7.02 -1.26 -2.54 117.44 126.42 1pmr n TRP 22 Ca -0.11 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.31 1pmr n TRP 22 Cb 0.49 0.00 0.10 0.00 -2.42 0.00 0.00 31.31 29.49 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 -1.68 -1.72 -3.67 -5.99 8.25 -1.26 -4.83 115.22 104.31 1pmr n HIS 23 Ca 0.00 -2.04 -0.20 0.00 -0.26 0.00 0.00 57.72 55.22 1pmr n HIS 23 Cb 0.00 1.23 -0.18 0.00 1.12 0.00 0.00 29.99 32.16 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 -0.47 -0.07 1.34 -0.41 2.47 -1.26 -4.74 119.74 116.60 1pmr s LYS 24 Ca 0.21 0.37 -0.22 0.00 -1.56 0.00 0.00 55.97 54.77 1pmr s LYS 24 Cb 0.41 -0.54 0.35 0.00 -1.46 0.00 0.00 37.83 36.59 1pmr s LYS 24 CO -0.07 -0.34 0.86 1.17 0.16 0.00 0.00 175.35 177.13 1pmr n LYS 25 N 5.30 -4.40 -1.95 4.03 3.00 -1.26 -4.72 118.16 118.16 1pmr n LYS 25 Ca -0.03 -1.43 -0.24 0.00 -0.00 0.00 0.00 58.31 56.61 1pmr n LYS 25 Cb 0.50 -1.74 -0.06 0.00 0.00 0.00 0.00 35.03 33.74 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 -5.03 2.33 -0.25 1.64 0.04 -1.26 -3.08 135.00 129.39 1pmr s PRO 26 Ca 0.64 -0.22 -0.01 0.00 0.04 0.00 0.00 61.00 61.45 1pmr s PRO 26 Cb -0.10 -5.02 0.00 0.00 0.04 0.00 0.00 34.50 29.41 1pmr s PRO 26 CO 0.52 -3.70 0.21 0.41 0.04 0.00 0.00 177.00 174.49 1pmr n GLY 27 N 6.74 0.40 0.00 0.56 0.00 -0.30 -4.82 105.19 107.76 1pmr n GLY 27 Ca 0.42 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.79 0.00 0.00 1.61 9.92 -1.18 -4.58 116.55 121.53 1pmr n ASP 28 Ca -0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.22 1pmr n ASP 28 Cb 0.53 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 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 -3.00 0.00 -2.49 2.24 0.00 -1.26 -4.61 120.51 111.39 1pmr n ALA 29 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1pmr n ALA 29 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 0.12 0.00 3.14 0.05 -4.92 118.33 116.71 1pmr n VAL 30 Ca 0.00 -0.98 0.00 0.00 -2.96 0.00 0.00 64.34 60.40 1pmr n VAL 30 Cb 0.00 -1.06 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 -2.28 0.00 -3.03 1.55 3.14 -1.26 -2.78 118.33 113.67 1pmr n VAL 31 Ca 0.10 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.28 1pmr n VAL 31 Cb 0.37 -0.33 -0.03 0.00 -1.06 0.00 0.00 33.84 32.79 1pmr n VAL 31 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1pmr n ARG 32 N -3.23 1.84 0.00 1.45 0.63 -1.26 -2.92 116.66 113.17 1pmr n ARG 32 Ca 0.00 -3.91 0.00 0.00 -0.92 0.00 0.00 57.85 53.02 1pmr n ARG 32 Cb 0.00 -1.87 0.00 0.00 0.45 0.00 0.00 32.46 31.04 1pmr n ARG 32 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1pmr n ASP 33 N 0.04 0.00 -2.86 6.15 8.00 -1.26 -4.88 116.55 121.75 1pmr n ASP 33 Ca 0.26 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.65 1pmr n ASP 33 Cb 0.58 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.77 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 -1.53 -0.87 -1.24 0.00 -0.49 -4.84 120.64 111.67 1pmr n GLU 34 Ca 0.00 -0.67 -0.36 0.00 0.00 0.00 0.00 57.16 56.13 1pmr n GLU 34 Cb 0.00 -0.59 0.09 0.00 0.00 0.00 0.00 31.44 30.94 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 -3.24 0.00 -3.01 6.31 3.14 -1.26 -4.01 118.33 116.26 1pmr n VAL 35 Ca 0.06 -0.17 -0.15 0.00 -2.96 0.00 0.00 64.34 61.11 1pmr n VAL 35 Cb 0.22 -0.26 0.01 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 1.31 -0.52 -3.89 6.55 -0.00 -1.12 -2.74 117.00 116.58 1pmr n LEU 36 Ca -0.00 -4.44 -0.37 0.00 -0.00 0.00 0.00 56.01 51.19 1pmr n LEU 36 Cb 0.67 0.80 0.03 0.00 -0.00 0.00 0.00 43.42 44.92 1pmr n LEU 36 CO 0.48 2.18 -1.84 0.55 -0.00 0.00 0.00 177.39 178.76 1pmr n VAL 37 N 0.48 0.00 -3.79 1.47 3.14 -1.25 -4.19 118.33 114.19 1pmr n VAL 37 Ca 0.17 -0.16 -0.30 0.00 -2.96 0.00 0.00 64.34 61.10 1pmr n VAL 37 Cb 0.66 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.30 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 -1.95 1.03 0.00 1.45 0.41 -1.05 -3.34 118.70 115.26 1pmr s GLU 38 Ca 0.36 -1.50 0.00 0.00 -0.41 0.00 0.00 54.97 53.42 1pmr s GLU 38 Cb 0.02 -2.35 0.00 0.00 -1.78 0.00 0.00 34.13 30.02 1pmr s GLU 38 CO 0.70 -1.02 0.00 1.51 -0.49 0.00 0.00 175.26 175.95 1pmr n ILE 39 N 4.37 0.00 -3.90 -1.63 0.13 -1.15 -0.30 119.36 116.88 1pmr n ILE 39 Ca 0.02 0.00 -0.12 0.00 -1.10 0.00 0.00 62.75 61.55 1pmr n ILE 39 Cb 0.40 -1.97 -0.14 0.00 -0.84 0.00 0.00 39.64 37.09 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 -1.66 0.06 0.00 9.51 2.02 0.16 -4.48 118.70 124.31 1pmr s GLU 40 Ca 0.00 -0.08 0.02 0.00 0.02 0.00 0.00 54.97 54.94 1pmr s GLU 40 Cb 0.00 -0.02 0.04 0.00 0.10 0.00 0.00 34.13 34.25 1pmr s GLU 40 CO 0.00 0.00 0.88 2.41 0.02 0.00 0.00 175.26 178.57 1pmr n THR 41 N 2.92 0.00 -2.45 3.63 -1.04 0.27 -1.39 114.28 116.22 1pmr n THR 41 Ca -0.13 -0.09 -0.01 0.00 -2.04 0.00 0.00 64.05 61.78 1pmr n THR 41 Cb 0.59 0.40 0.00 0.00 -1.82 0.00 0.00 70.33 69.51 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 0.04 -6.62 0.00 8.00 -0.08 -1.26 -3.90 116.55 112.73 1pmr n ASP 42 Ca -0.01 0.97 0.00 0.00 -1.51 0.00 0.00 54.79 54.24 1pmr n ASP 42 Cb 0.68 -4.34 0.00 0.00 2.34 0.00 0.00 41.12 39.80 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 0.36 0.00 -4.88 -0.67 4.81 -1.26 -4.97 118.16 111.56 1pmr n LYS 43 Ca 0.02 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.14 1pmr n LYS 43 Cb 0.07 -0.26 -0.13 0.00 0.02 0.00 0.00 35.03 34.73 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 -1.18 2.74 -0.09 3.15 1.01 -1.25 -5.11 120.40 119.66 1pmr s VAL 44 Ca 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 1pmr s VAL 44 Cb 0.00 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.33 1pmr s VAL 44 CO 0.00 0.48 0.02 -0.69 0.00 0.00 0.00 175.10 174.91 1pmr s VAL 45 N -0.79 0.31 0.61 2.92 1.01 -1.26 -0.56 120.40 122.64 1pmr s VAL 45 Ca 0.13 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.07 1pmr s VAL 45 Cb -0.10 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 1pmr s VAL 45 CO 0.02 0.15 0.98 -0.76 0.00 0.00 0.00 175.10 175.49 1pmr s LEU 46 N 1.99 3.20 0.48 3.92 1.43 -1.26 -4.89 118.68 123.55 1pmr s LEU 46 Ca 0.04 1.08 0.03 0.00 -1.03 0.00 0.00 54.13 54.25 1pmr s LEU 46 Cb -0.13 -3.98 -0.03 0.00 0.03 0.00 0.00 46.19 42.07 1pmr s LEU 46 CO -0.06 -1.00 0.02 -1.61 0.23 0.00 0.00 176.35 173.93 1pmr s GLU 47 N -5.11 2.12 -0.39 1.70 2.02 -1.26 -2.93 118.70 114.85 1pmr s GLU 47 Ca 0.54 -2.28 0.08 0.00 0.02 0.00 0.00 54.97 53.34 1pmr s GLU 47 Cb -0.11 -1.60 0.26 0.00 0.10 0.00 0.00 34.13 32.79 1pmr s GLU 47 CO 0.50 -0.26 0.56 0.28 0.02 0.00 0.00 175.26 176.35 1pmr n VAL 48 N -1.18 -0.61 -2.67 2.63 0.31 -1.21 -4.83 118.33 110.76 1pmr n VAL 48 Ca -0.14 -4.02 -0.43 0.00 -0.01 0.00 0.00 64.34 59.75 1pmr n VAL 48 Cb 0.67 -1.65 -0.03 0.00 -0.91 0.00 0.00 33.84 31.92 1pmr n VAL 48 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1pmr s PRO 49 N -1.29 3.67 0.79 5.55 0.04 -1.16 -2.81 135.00 139.79 1pmr s PRO 49 Ca 0.36 0.45 -0.04 0.00 0.04 0.00 0.00 61.00 61.81 1pmr s PRO 49 Cb 0.19 -3.91 0.16 0.00 0.04 0.00 0.00 34.50 30.98 1pmr s PRO 49 CO -0.11 -1.33 1.08 0.00 0.04 0.00 0.00 177.00 176.68 1pmr s ALA 50 N 4.24 3.43 -0.58 8.56 0.00 -1.11 -4.84 121.76 131.46 1pmr s ALA 50 Ca 0.45 -1.73 0.06 0.00 0.00 0.00 0.00 51.96 50.74 1pmr s ALA 50 Cb -0.08 -2.11 0.23 0.00 0.00 0.00 0.00 23.12 21.16 1pmr s ALA 50 CO 0.30 -1.75 0.63 0.45 0.00 0.00 0.00 175.76 175.39 1pmr n SER 51 N -3.07 2.58 0.00 0.00 2.88 -1.26 -1.40 113.62 113.35 1pmr n SER 51 Ca 0.16 -3.17 0.00 0.00 -1.33 0.00 0.00 58.87 54.53 1pmr n SER 51 Cb 0.60 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1pmr n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pmr n ALA 52 N 1.29 0.00 -0.76 -1.46 0.00 -1.15 -4.81 120.51 113.62 1pmr n ALA 52 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1pmr n ALA 52 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 8.00 -1.12 -4.76 116.55 118.67 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 0.20 3.50 0.44 0.00 -0.47 -0.77 105.19 108.09 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 -1.89 -0.00 -1.50 -0.61 5.41 -1.26 -4.36 119.36 115.14 1pmr n ILE 55 Ca 0.00 -0.21 -0.33 0.00 1.00 0.00 0.00 62.75 63.22 1pmr n ILE 55 Cb 0.00 -0.46 -0.17 0.00 -0.71 0.00 0.00 39.64 38.30 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 9.24 -0.24 -0.12 1.39 -0.00 -1.26 -3.76 117.00 122.26 1pmr n LEU 56 Ca 0.65 -0.18 -0.23 0.00 -0.00 0.00 0.00 56.01 56.24 1pmr n LEU 56 Cb 0.09 -0.83 -0.08 0.00 -0.00 0.00 0.00 43.42 42.61 1pmr n LEU 56 CO 0.98 -1.10 -1.21 -0.67 -0.00 0.00 0.00 177.39 175.38 1pmr n ASP 57 N 9.13 1.82 -3.43 1.96 2.03 -1.23 -1.15 116.55 125.68 1pmr n ASP 57 Ca 0.65 0.31 -0.17 0.00 0.52 0.00 0.00 54.79 56.11 1pmr n ASP 57 Cb 0.11 -0.74 -0.11 0.00 -0.72 0.00 0.00 41.12 39.66 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 -2.55 -0.47 -0.80 -1.67 0.00 -0.08 -5.01 121.76 111.19 1pmr s ALA 58 Ca -0.34 0.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 1pmr s ALA 58 Cb 0.12 -1.59 0.21 0.00 0.00 0.00 0.00 23.12 21.85 1pmr s ALA 58 CO 0.44 -1.45 0.72 0.14 0.00 0.00 0.00 175.76 175.61 1pmr s VAL 59 N 2.37 5.31 -1.50 0.00 -7.23 -1.26 -0.67 120.40 117.42 1pmr s VAL 59 Ca 0.09 -2.56 0.15 0.00 -1.81 0.00 0.00 61.98 57.85 1pmr s VAL 59 Cb -0.15 -4.30 0.28 0.00 0.56 0.00 0.00 36.38 32.77 1pmr s VAL 59 CO -0.22 -1.01 1.40 0.18 -0.31 0.00 0.00 175.10 175.14 1pmr n LEU 60 N 3.88 0.00 -2.24 1.32 4.77 -1.03 -2.52 117.00 121.18 1pmr n LEU 60 Ca 0.13 0.25 -0.19 0.00 -0.03 0.00 0.00 56.01 56.17 1pmr n LEU 60 Cb 0.45 -0.25 0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1pmr n LEU 60 CO 0.33 -0.13 0.14 -0.62 -1.33 0.00 0.00 177.39 175.78 1pmr n GLU 61 N -1.25 3.17 -1.55 3.23 1.02 0.39 -4.94 120.64 120.70 1pmr n GLU 61 Ca 0.08 -4.04 -0.58 0.00 -0.02 0.00 0.00 57.16 52.59 1pmr n GLU 61 Cb 0.11 -2.12 -0.08 0.00 -0.02 0.00 0.00 31.44 29.34 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 -0.66 0.58 -1.62 1.62 8.00 -1.05 -4.48 116.55 118.94 1pmr n ASP 62 Ca 0.35 1.15 -0.23 0.00 0.71 0.00 0.00 54.79 56.77 1pmr n ASP 62 Cb 0.91 -0.99 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 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 2.11 0.00 0.00 -1.24 0.28 -1.26 -2.57 120.64 117.96 1pmr n GLU 63 Ca 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.21 1pmr n GLU 63 Cb 0.10 -0.52 0.00 0.00 1.43 0.00 0.00 31.44 32.45 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 1.23 1.73 3.91 -1.84 0.00 0.08 -4.88 105.19 105.42 1pmr n GLY 64 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.61 4.92 0.59 2.61 2.01 -1.06 -4.88 115.64 118.22 1pmr s THR 65 Ca 0.00 0.12 -0.13 0.00 0.31 0.00 0.00 61.69 61.98 1pmr s THR 65 Cb 0.00 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1pmr s THR 65 CO 0.00 -0.81 1.02 -0.89 -0.69 0.00 0.00 174.62 173.25 1pmr s THR 66 N -2.69 4.47 0.24 -0.82 2.01 -1.26 -2.42 115.64 115.16 1pmr s THR 66 Ca 0.47 0.97 -0.12 0.00 0.31 0.00 0.00 61.69 63.31 1pmr s THR 66 Cb -0.10 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1pmr s THR 66 CO 0.44 -0.89 0.44 0.54 -0.69 0.00 0.00 174.62 174.46 1pmr s VAL 67 N -2.90 0.00 0.00 3.82 0.11 -0.96 -4.79 120.40 115.69 1pmr s VAL 67 Ca 0.58 -1.45 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 1pmr s VAL 67 Cb -0.12 -2.20 0.00 0.00 -1.53 0.00 0.00 36.38 32.53 1pmr s VAL 67 CO 0.45 -0.02 0.00 1.07 -3.33 0.00 0.00 175.10 173.27 1pmr n THR 68 N -0.36 0.00 -2.12 5.04 5.66 -1.26 -1.49 114.28 119.74 1pmr n THR 68 Ca -0.02 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.59 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 7.70 0.00 1.09 3.41 -1.25 -4.03 113.62 120.54 1pmr n SER 69 Ca 0.00 -3.33 0.00 0.00 -0.26 0.00 0.00 58.87 55.28 1pmr n SER 69 Cb 0.00 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 62.67 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 1.06 0.00 -1.56 4.33 1.74 -0.68 -4.53 116.66 117.01 1pmr n ARG 70 Ca 0.57 0.00 -0.50 0.00 -0.77 0.00 0.00 57.85 57.14 1pmr n ARG 70 Cb 0.28 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.67 1pmr n ARG 70 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1pmr n GLN 71 N 0.00 0.95 -2.88 5.56 1.13 -1.26 -4.02 117.38 116.87 1pmr n GLN 71 Ca 0.00 0.34 -0.43 0.00 -1.94 0.00 0.00 57.00 54.97 1pmr n GLN 71 Cb 0.00 -1.82 -0.05 0.00 0.11 0.00 0.00 30.24 28.49 1pmr n GLN 71 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 1pmr s ILE 72 N -0.16 4.56 0.25 5.09 2.07 -1.26 -1.19 121.20 130.56 1pmr s ILE 72 Ca 0.76 0.69 -0.04 0.00 -1.41 0.00 0.00 60.65 60.64 1pmr s ILE 72 Cb -0.91 -4.37 0.23 0.00 0.13 0.00 0.00 42.46 37.53 1pmr s ILE 72 CO 0.52 -0.74 1.71 -0.07 -1.91 0.00 0.00 174.94 174.45 1pmr h LEU 73 N 10.32 0.16 0.00 8.50 3.38 0.02 -3.42 115.31 134.27 1pmr h LEU 73 Ca -0.24 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1pmr h LEU 73 Cb 1.08 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1pmr h LEU 73 CO 0.99 0.03 0.00 0.61 0.09 0.00 0.00 178.44 180.16 1pmr n GLY 74 N -1.34 -1.66 3.38 0.83 0.00 -1.18 0.15 105.19 105.36 1pmr n GLY 74 Ca 0.15 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.91 1.97 0.00 1.61 1.70 0.15 -1.80 118.95 120.68 1pmr s ARG 75 Ca 0.00 -1.02 0.00 0.00 -0.47 0.00 0.00 55.73 54.24 1pmr s ARG 75 Cb 0.00 -2.08 0.00 0.00 -0.57 0.00 0.00 34.95 32.30 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 1.83 0.00 -3.61 -1.89 4.77 -1.09 -0.90 117.00 116.10 1pmr n LEU 76 Ca -0.17 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.67 1pmr n LEU 76 Cb 0.52 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.54 1pmr n LEU 76 CO 0.24 -0.01 0.45 -0.60 -1.33 0.00 0.00 177.39 176.14 1pmr s ARG 77 N -0.03 0.84 -0.46 3.23 3.52 -1.25 -3.49 118.95 121.32 1pmr s ARG 77 Ca 0.00 0.85 0.04 0.00 -0.13 0.00 0.00 55.73 56.48 1pmr s ARG 77 Cb 0.00 0.41 0.22 0.00 -1.56 0.00 0.00 34.95 34.02 1pmr s ARG 77 CO 0.00 -0.13 0.91 -1.91 -0.81 0.00 0.00 175.30 173.35 1pmr n GLU 78 N 2.36 0.51 0.00 5.12 2.13 -1.02 -1.36 120.64 128.38 1pmr n GLU 78 Ca -0.15 -1.58 0.00 0.00 0.66 0.00 0.00 57.16 56.10 1pmr n GLU 78 Cb 0.55 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 31.17 1pmr n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pmr n GLY 79 N 2.23 1.62 0.30 8.31 0.00 -1.26 -3.48 105.19 112.92 1pmr n GLY 79 Ca 0.12 -1.65 0.04 0.00 0.00 0.00 0.00 46.02 44.52 1pmr n GLY 79 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31