#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 -0.02 -1.24 4.04 0.01 -1.26 -0.70 113.70 114.52 1pmr s SER 2 Ca 0.00 -0.48 -0.20 0.00 1.31 0.00 0.00 55.95 56.58 1pmr s SER 2 Cb 0.00 0.38 -0.01 0.00 0.21 0.00 0.00 66.02 66.61 1pmr s SER 2 CO 0.00 -0.75 1.84 0.52 0.41 0.00 0.00 173.24 175.27 1pmr n VAL 3 N -0.01 2.99 -2.29 3.43 0.31 -0.81 -4.54 118.33 117.41 1pmr n VAL 3 Ca -0.16 -3.09 -0.34 0.00 -0.01 0.00 0.00 64.34 60.74 1pmr n VAL 3 Cb 0.62 -2.28 -0.04 0.00 -0.91 0.00 0.00 33.84 31.24 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 5.20 5.81 0.03 4.52 1.11 -1.26 -2.94 116.67 129.14 1pmr s ASP 4 Ca 0.60 -1.64 0.01 0.00 0.18 0.00 0.00 52.55 51.70 1pmr s ASP 4 Cb 0.03 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.40 1pmr s ASP 4 CO 0.10 -2.21 0.09 -0.51 1.18 0.00 0.00 175.17 173.82 1pmr s ILE 5 N 7.91 4.70 0.00 0.77 1.10 -1.19 -5.01 121.20 129.49 1pmr s ILE 5 Ca 0.61 -0.54 0.00 0.00 -0.51 0.00 0.00 60.65 60.21 1pmr s ILE 5 Cb -0.01 -3.21 0.00 0.00 0.15 0.00 0.00 42.46 39.40 1pmr s ILE 5 CO 0.05 0.25 0.00 0.00 -2.11 0.00 0.00 174.94 173.13 1pmr n LEU 6 N 0.84 0.00 -3.19 8.50 -0.00 -1.26 0.38 117.00 122.26 1pmr n LEU 6 Ca -0.11 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.66 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 0.41 0.00 -0.06 0.52 -0.00 0.00 0.00 177.39 178.27 1pmr n VAL 7 N 0.00 1.28 -1.37 1.47 0.31 -1.19 -4.66 118.33 114.17 1pmr n VAL 7 Ca 0.00 -4.89 -0.39 0.00 -0.01 0.00 0.00 64.34 59.05 1pmr n VAL 7 Cb 0.00 -1.50 -0.02 0.00 -0.91 0.00 0.00 33.84 31.40 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 0.58 3.51 -0.00 5.55 -0.04 -1.25 -2.79 135.00 140.56 1pmr n PRO 8 Ca 0.27 -2.25 0.03 0.00 -0.04 0.00 0.00 63.50 61.51 1pmr n PRO 8 Cb 0.49 -2.88 -0.05 0.00 -0.04 0.00 0.00 33.50 31.02 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 4.05 3.54 -1.91 3.54 9.92 -1.26 -4.97 116.55 129.46 1pmr n ASP 9 Ca 0.73 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.99 1pmr n ASP 9 Cb 0.26 1.28 0.00 0.00 -0.64 0.00 0.00 41.12 42.02 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 -1.71 -2.61 0.00 0.64 4.77 -1.26 -4.94 117.00 111.88 1pmr n LEU 10 Ca -0.01 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1pmr n LEU 10 Cb 0.16 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 1pmr n LEU 10 CO 0.13 -1.46 0.00 -0.81 -1.33 0.00 0.00 177.39 173.92 1pmr n PRO 11 N 1.67 0.06 -0.15 3.23 -0.04 -1.26 -4.91 135.00 133.60 1pmr n PRO 11 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1pmr n PRO 11 Cb 0.08 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 33.64 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 -0.83 1.65 -4.05 0.54 4.07 -1.26 -4.86 120.64 115.91 1pmr n GLU 12 Ca 0.00 -0.77 -0.10 0.00 -0.06 0.00 0.00 57.16 56.23 1pmr n GLU 12 Cb 0.00 -1.33 -0.07 0.00 -0.06 0.00 0.00 31.44 29.98 1pmr n GLU 12 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1pmr s SER 13 N -0.76 -0.00 -0.48 4.31 0.01 -1.26 -5.08 113.70 110.45 1pmr s SER 13 Ca 0.14 -1.05 0.08 0.00 1.31 0.00 0.00 55.95 56.43 1pmr s SER 13 Cb 0.08 0.50 0.38 0.00 0.21 0.00 0.00 66.02 67.19 1pmr s SER 13 CO 0.08 -1.01 0.96 0.55 0.41 0.00 0.00 173.24 174.22 1pmr n VAL 14 N -0.32 2.09 -0.14 3.43 3.14 -1.26 -4.80 118.33 120.47 1pmr n VAL 14 Ca -0.02 -4.95 0.07 0.00 -2.96 0.00 0.00 64.34 56.49 1pmr n VAL 14 Cb 0.63 -0.93 0.28 0.00 -1.06 0.00 0.00 33.84 32.76 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 -0.20 2.98 -0.17 1.55 0.00 -1.26 -5.04 120.51 118.37 1pmr n ALA 15 Ca 0.30 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1pmr n ALA 15 Cb 0.56 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 0.84 -0.25 -1.15 0.00 8.00 -1.26 -5.03 116.55 117.70 1pmr n ASP 16 Ca 0.20 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.70 1pmr n ASP 16 Cb 0.73 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 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 3.53 -0.18 -3.45 2.24 0.00 0.10 -4.68 120.51 118.07 1pmr n ALA 17 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1pmr n ALA 17 Cb 0.00 0.03 -0.10 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 -2.44 -0.01 -1.10 0.00 2.01 -1.04 -2.24 115.64 110.82 1pmr s THR 18 Ca 0.02 0.02 -0.22 0.00 0.31 0.00 0.00 61.69 61.81 1pmr s THR 18 Cb -0.00 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 1pmr s THR 18 CO 0.00 0.01 1.84 -0.69 -0.69 0.00 0.00 174.62 175.09 1pmr s VAL 19 N 0.58 3.67 0.08 3.82 1.01 -1.15 0.35 120.40 128.76 1pmr s VAL 19 Ca -0.03 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 1pmr s VAL 19 Cb -0.05 -4.59 -0.08 0.00 0.00 0.00 0.00 36.38 31.67 1pmr s VAL 19 CO -0.04 -1.29 1.36 0.00 0.00 0.00 0.00 175.10 175.13 1pmr h ALA 20 N 9.80 -0.65 -1.59 5.51 0.00 0.45 0.47 119.26 133.25 1pmr h ALA 20 Ca 0.22 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.22 1pmr h ALA 20 Cb 0.95 0.95 -0.23 0.00 0.00 0.00 0.00 17.79 19.46 1pmr h ALA 20 CO 1.29 -0.81 0.15 0.99 0.00 0.00 0.00 179.25 180.87 1pmr s THR 21 N -4.72 -0.37 0.00 0.00 2.01 -0.97 -4.22 115.64 107.37 1pmr s THR 21 Ca -0.09 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.91 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 0.40 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 175.12 1pmr n TRP 22 N 4.58 -2.45 -2.07 4.92 7.02 -1.26 -2.61 117.44 125.58 1pmr n TRP 22 Ca -0.15 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.32 1pmr n TRP 22 Cb 0.54 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.42 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 -2.31 0.00 -4.02 -5.99 8.25 -1.26 -4.83 115.22 105.06 1pmr n HIS 23 Ca 0.00 -0.21 -0.34 0.00 -0.26 0.00 0.00 57.72 56.91 1pmr n HIS 23 Cb 0.00 0.20 -0.15 0.00 1.12 0.00 0.00 29.99 31.17 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 3.21 1.21 -0.41 2.47 -1.26 -4.81 119.74 120.16 1pmr s LYS 24 Ca 0.05 -0.71 -0.18 0.00 -1.56 0.00 0.00 55.97 53.56 1pmr s LYS 24 Cb 0.05 -2.81 0.29 0.00 -1.46 0.00 0.00 37.83 33.90 1pmr s LYS 24 CO -0.02 -0.19 1.06 0.15 0.16 0.00 0.00 175.35 176.50 1pmr s LYS 25 N 1.38 -1.28 -0.79 4.03 3.01 -1.26 -4.84 119.74 119.99 1pmr s LYS 25 Ca 0.05 0.17 -0.25 0.00 -1.01 0.00 0.00 55.97 54.93 1pmr s LYS 25 Cb -0.14 -1.57 -0.02 0.00 -1.01 0.00 0.00 37.83 35.09 1pmr s LYS 25 CO -0.07 -3.80 1.83 -1.25 0.51 0.00 0.00 175.35 172.57 1pmr s PRO 26 N -5.15 2.71 0.00 -1.68 0.04 -1.26 -3.00 135.00 126.66 1pmr s PRO 26 Ca 0.69 0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1pmr s PRO 26 Cb -0.14 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.64 1pmr s PRO 26 CO 0.58 -2.94 0.00 0.41 0.04 0.00 0.00 177.00 175.08 1pmr n GLY 27 N 6.30 0.93 0.00 0.56 0.00 -0.72 -4.77 105.19 107.49 1pmr n GLY 27 Ca 0.29 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 1.19 -0.50 -2.74 1.61 9.92 -1.16 -4.54 116.55 120.33 1pmr n ASP 28 Ca 0.00 -0.05 -0.04 0.00 -0.53 0.00 0.00 54.79 54.17 1pmr n ASP 28 Cb 0.37 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.86 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 -2.20 -1.30 2.24 0.00 -1.21 -2.58 120.51 112.46 1pmr n ALA 29 Ca 0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 53.44 52.51 1pmr n ALA 29 Cb 0.00 -1.80 0.08 0.00 0.00 0.00 0.00 19.45 17.72 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 2.80 0.00 0.00 0.00 3.14 0.11 -4.83 118.33 119.55 1pmr n VAL 30 Ca 0.16 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1pmr n VAL 30 Cb 0.58 -1.74 0.00 0.00 -1.06 0.00 0.00 33.84 31.62 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 -2.74 0.00 -2.84 1.55 3.14 -1.26 -2.48 118.33 113.70 1pmr n VAL 31 Ca 0.06 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.08 1pmr n VAL 31 Cb 0.21 -0.05 -0.01 0.00 -1.06 0.00 0.00 33.84 32.94 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 -0.31 4.42 0.00 1.45 3.00 -1.26 -2.26 116.66 121.70 1pmr n ARG 32 Ca 0.00 -4.72 0.00 0.00 -0.00 0.00 0.00 57.85 53.13 1pmr n ARG 32 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 32.46 30.07 1pmr n ARG 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1pmr n ASP 33 N 0.11 0.00 -1.91 6.15 8.00 -1.25 -4.96 116.55 122.69 1pmr n ASP 33 Ca 0.38 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.88 1pmr n ASP 33 Cb 0.32 0.00 0.00 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 0.88 -0.79 -1.24 2.13 -1.17 -4.84 120.64 115.60 1pmr n GLU 34 Ca 0.00 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.48 1pmr n GLU 34 Cb 0.00 0.00 0.12 0.00 0.27 0.00 0.00 31.44 31.83 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 -1.08 0.00 -3.19 6.31 3.14 -1.26 -4.15 118.33 118.10 1pmr n VAL 35 Ca 0.00 -0.25 -0.20 0.00 -2.96 0.00 0.00 64.34 60.93 1pmr n VAL 35 Cb 0.00 -0.48 -0.04 0.00 -1.06 0.00 0.00 33.84 32.25 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 -0.41 0.56 -3.72 6.55 4.32 -1.22 -2.70 117.00 120.38 1pmr n LEU 36 Ca 0.03 -4.88 -0.35 0.00 -0.02 0.00 0.00 56.01 50.78 1pmr n LEU 36 Cb 0.59 0.69 0.03 0.00 -1.62 0.00 0.00 43.42 43.11 1pmr n LEU 36 CO 0.51 2.21 -1.74 0.55 -1.22 0.00 0.00 177.39 177.69 1pmr n VAL 37 N 0.69 0.00 -3.90 4.08 3.14 -1.24 -4.12 118.33 116.99 1pmr n VAL 37 Ca 0.23 -0.16 -0.29 0.00 -2.96 0.00 0.00 64.34 61.16 1pmr n VAL 37 Cb 0.61 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 33.23 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 -1.86 1.47 0.00 1.45 2.02 -1.07 -3.16 118.70 117.54 1pmr s GLU 38 Ca 0.35 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.63 1pmr s GLU 38 Cb 0.01 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.97 1pmr s GLU 38 CO 0.67 -0.52 0.00 1.51 0.02 0.00 0.00 175.26 176.94 1pmr n ILE 39 N 4.80 0.00 -4.16 -1.63 0.13 -1.16 0.10 119.36 117.44 1pmr n ILE 39 Ca -0.12 0.00 -0.17 0.00 -1.10 0.00 0.00 62.75 61.36 1pmr n ILE 39 Cb 0.46 -1.20 -0.15 0.00 -0.84 0.00 0.00 39.64 37.91 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 -0.91 0.54 0.00 9.51 2.02 0.15 -4.44 118.70 125.57 1pmr s GLU 40 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1pmr s GLU 40 Cb 0.00 -0.55 0.00 0.00 0.10 0.00 0.00 34.13 33.68 1pmr s GLU 40 CO 0.00 0.06 0.00 2.41 0.02 0.00 0.00 175.26 177.75 1pmr n THR 41 N 3.30 0.00 -2.93 3.63 -1.04 -0.72 -2.50 114.28 114.02 1pmr n THR 41 Ca -0.17 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.40 1pmr n THR 41 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 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 0.00 5.71 0.00 8.00 -0.08 -1.26 -4.53 116.55 124.39 1pmr n ASP 42 Ca 0.00 -3.18 0.00 0.00 -1.51 0.00 0.00 54.79 50.10 1pmr n ASP 42 Cb 0.00 -1.39 0.00 0.00 2.34 0.00 0.00 41.12 42.07 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 2.91 0.00 -3.80 -0.67 0.00 -1.26 -4.99 118.16 110.35 1pmr n LYS 43 Ca 0.30 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 58.40 1pmr n LYS 43 Cb 0.37 -0.44 -0.03 0.00 0.00 0.00 0.00 35.03 34.92 1pmr n LYS 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1pmr s VAL 44 N -1.46 3.76 -0.17 3.15 0.11 -1.26 -5.11 120.40 119.42 1pmr s VAL 44 Ca 0.00 -1.31 -0.04 0.00 -2.93 0.00 0.00 61.98 57.70 1pmr s VAL 44 Cb 0.00 -3.26 0.08 0.00 -1.53 0.00 0.00 36.38 31.67 1pmr s VAL 44 CO 0.00 -0.20 0.20 -0.69 -3.33 0.00 0.00 175.10 171.08 1pmr s VAL 45 N -2.26 -0.29 0.79 2.04 1.01 -1.26 -1.75 120.40 118.67 1pmr s VAL 45 Ca 0.40 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 1pmr s VAL 45 Cb -0.07 -0.57 0.06 0.00 0.00 0.00 0.00 36.38 35.80 1pmr s VAL 45 CO 0.27 -0.12 1.16 -0.76 0.00 0.00 0.00 175.10 175.65 1pmr s LEU 46 N 2.31 2.59 0.00 3.92 2.01 -1.26 -4.83 118.68 123.42 1pmr s LEU 46 Ca 0.05 0.88 0.00 0.00 0.01 0.00 0.00 54.13 55.07 1pmr s LEU 46 Cb -0.15 -3.45 0.00 0.00 0.01 0.00 0.00 46.19 42.61 1pmr s LEU 46 CO -0.10 -1.78 0.02 -0.62 1.01 0.00 0.00 176.35 174.88 1pmr n GLU 47 N -3.25 1.68 -3.12 1.70 -0.58 -1.26 -3.00 120.64 112.81 1pmr n GLU 47 Ca 0.08 -0.53 -0.18 0.00 -0.42 0.00 0.00 57.16 56.11 1pmr n GLU 47 Cb 0.60 0.12 -0.05 0.00 -0.57 0.00 0.00 31.44 31.54 1pmr n GLU 47 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1pmr n VAL 48 N -0.35 -0.68 -2.69 2.62 3.14 -1.19 -4.84 118.33 114.35 1pmr n VAL 48 Ca -0.02 -2.66 -0.43 0.00 -2.96 0.00 0.00 64.34 58.27 1pmr n VAL 48 Cb 0.09 -0.65 -0.03 0.00 -1.06 0.00 0.00 33.84 32.19 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 0.14 3.83 0.00 1.45 0.04 -1.19 -3.38 135.00 135.89 1pmr s PRO 49 Ca 0.32 0.67 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1pmr s PRO 49 Cb 0.07 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1pmr s PRO 49 CO -0.15 -1.11 0.00 0.00 0.04 0.00 0.00 177.00 175.78 1pmr n ALA 50 N 7.21 0.00 -1.17 8.56 0.00 -1.10 -4.82 120.51 129.19 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 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.05 0.04 0.00 0.00 3.41 -1.26 -3.06 113.62 112.70 1pmr n SER 51 Ca 0.00 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.40 1pmr n SER 51 Cb 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.01 0.00 -0.61 7.33 0.00 -0.96 -3.87 120.51 122.39 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 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.04 -4.74 116.55 120.69 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 0.83 3.51 0.44 0.00 -1.23 0.07 105.19 108.81 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 -1.74 -0.01 -1.54 -0.61 5.41 -1.07 -4.15 119.36 115.66 1pmr n ILE 55 Ca 0.00 -0.25 -0.31 0.00 1.00 0.00 0.00 62.75 63.19 1pmr n ILE 55 Cb 0.00 -0.64 -0.08 0.00 -0.71 0.00 0.00 39.64 38.21 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 9.93 1.47 -0.07 1.39 7.94 -1.24 -2.97 117.00 133.45 1pmr n LEU 56 Ca 0.63 -0.57 -0.10 0.00 -1.11 0.00 0.00 56.01 54.86 1pmr n LEU 56 Cb 0.13 -1.38 -0.07 0.00 0.53 0.00 0.00 43.42 42.64 1pmr n LEU 56 CO 0.95 -1.61 -0.97 -0.67 -1.11 0.00 0.00 177.39 173.98 1pmr n ASP 57 N 14.53 2.88 -3.49 1.96 2.03 -1.26 -1.75 116.55 131.46 1pmr n ASP 57 Ca 0.48 -0.08 -0.29 0.00 0.52 0.00 0.00 54.79 55.42 1pmr n ASP 57 Cb 0.38 -0.22 -0.12 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 -2.29 1.02 -0.84 -1.67 0.00 0.11 -4.98 121.76 113.12 1pmr s ALA 58 Ca -0.19 -1.89 -0.17 0.00 0.00 0.00 0.00 51.96 49.71 1pmr s ALA 58 Cb 0.05 -1.62 0.16 0.00 0.00 0.00 0.00 23.12 21.71 1pmr s ALA 58 CO 0.33 -2.09 0.91 0.08 0.00 0.00 0.00 175.76 175.00 1pmr s VAL 59 N 1.05 5.12 -1.82 0.00 1.01 -1.25 0.13 120.40 124.63 1pmr s VAL 59 Ca 0.18 -1.87 0.16 0.00 0.00 0.00 0.00 61.98 60.44 1pmr s VAL 59 Cb -0.23 -4.61 0.40 0.00 0.00 0.00 0.00 36.38 31.94 1pmr s VAL 59 CO -0.01 -1.25 1.39 0.18 0.00 0.00 0.00 175.10 175.41 1pmr n LEU 60 N 5.43 0.00 -2.91 3.92 4.77 -1.15 -3.14 117.00 123.91 1pmr n LEU 60 Ca 0.15 0.09 -0.15 0.00 -0.03 0.00 0.00 56.01 56.06 1pmr n LEU 60 Cb 0.47 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1pmr n LEU 60 CO 0.44 -0.04 -0.13 -0.62 -1.33 0.00 0.00 177.39 175.71 1pmr n GLU 61 N -1.09 1.35 -1.62 3.23 1.02 0.34 -4.88 120.64 118.99 1pmr n GLU 61 Ca 0.11 -3.50 -0.59 0.00 -0.02 0.00 0.00 57.16 53.16 1pmr n GLU 61 Cb 0.08 -1.59 -0.08 0.00 -0.02 0.00 0.00 31.44 29.83 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 0.06 1.16 -3.27 1.62 8.00 -1.19 -4.61 116.55 118.33 1pmr n ASP 62 Ca 0.20 1.14 -0.46 0.00 0.71 0.00 0.00 54.79 56.38 1pmr n ASP 62 Cb 0.71 -1.03 -0.07 0.00 -0.02 0.00 0.00 41.12 40.71 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 3.05 0.00 0.00 -1.24 0.28 -1.26 -2.31 120.64 119.16 1pmr n GLU 63 Ca 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.23 1pmr n GLU 63 Cb 0.09 -1.05 0.00 0.00 1.43 0.00 0.00 31.44 31.92 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 2.35 1.27 1.10 -1.84 0.00 0.16 -4.91 105.19 103.33 1pmr n GLY 64 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.05 0.00 -3.50 2.61 -1.04 -0.98 -4.87 114.28 106.45 1pmr n THR 65 Ca 0.00 -0.45 -0.29 0.00 -2.04 0.00 0.00 64.05 61.27 1pmr n THR 65 Cb 0.00 -1.23 -0.04 0.00 -1.82 0.00 0.00 70.33 67.24 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 -0.69 5.08 0.26 12.58 2.01 -1.26 -2.96 115.64 130.67 1pmr s THR 66 Ca 0.19 -0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.08 1pmr s THR 66 Cb -0.01 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 1pmr s THR 66 CO 0.12 -0.18 0.45 0.54 -0.69 0.00 0.00 174.62 174.86 1pmr s VAL 67 N -1.91 0.00 0.00 3.82 0.11 -0.95 -4.78 120.40 116.68 1pmr s VAL 67 Ca 0.42 -1.48 0.00 0.00 -2.93 0.00 0.00 61.98 57.99 1pmr s VAL 67 Cb -0.11 -2.31 0.00 0.00 -1.53 0.00 0.00 36.38 32.43 1pmr s VAL 67 CO 0.28 0.00 0.00 1.07 -3.33 0.00 0.00 175.10 173.12 1pmr n THR 68 N -0.40 0.00 0.00 5.04 5.66 -1.26 0.02 114.28 123.34 1pmr n THR 68 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 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 -4.52 1.09 3.41 -1.26 -4.35 113.62 107.99 1pmr n SER 69 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 1pmr n SER 69 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 1.83 -3.85 4.33 1.74 -1.12 -3.19 116.66 116.41 1pmr n ARG 70 Ca 0.00 -2.56 -0.34 0.00 -0.77 0.00 0.00 57.85 54.18 1pmr n ARG 70 Cb 0.00 -3.66 -0.12 0.00 -1.02 0.00 0.00 32.46 27.66 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 6.05 2.01 -0.49 5.56 -1.52 -1.26 -4.72 119.66 125.28 1pmr s GLN 71 Ca 0.66 -2.12 -0.42 0.00 -1.95 0.00 0.00 55.36 51.53 1pmr s GLN 71 Cb 0.01 -3.49 -0.18 0.00 -0.22 0.00 0.00 33.01 29.13 1pmr s GLN 71 CO 0.13 -1.07 2.18 1.51 -0.25 0.00 0.00 175.29 177.78 1pmr n ILE 72 N 4.03 0.04 0.26 1.08 3.06 -1.26 -3.59 119.36 122.97 1pmr n ILE 72 Ca 0.03 -0.05 0.10 0.00 -2.50 0.00 0.00 62.75 60.32 1pmr n ILE 72 Cb 0.39 -0.74 0.67 0.00 0.54 0.00 0.00 39.64 40.51 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 9.85 0.00 0.00 9.51 5.85 -0.34 -3.42 115.31 136.76 1pmr h LEU 73 Ca -0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1pmr h LEU 73 Cb 1.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1pmr h LEU 73 CO 1.09 0.09 0.00 0.61 -0.34 0.00 0.00 178.44 179.89 1pmr n GLY 74 N -1.14 3.71 3.71 3.75 0.00 -1.19 0.13 105.19 114.15 1pmr n GLY 74 Ca -0.03 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.42 3.40 0.00 1.61 1.70 0.34 -3.14 118.95 120.43 1pmr s ARG 75 Ca 0.00 -0.33 0.00 0.00 -0.47 0.00 0.00 55.73 54.93 1pmr s ARG 75 Cb 0.00 -3.01 0.00 0.00 -0.57 0.00 0.00 34.95 31.37 1pmr s ARG 75 CO 0.00 0.59 0.00 1.28 -1.08 0.00 0.00 175.30 176.09 1pmr n LEU 76 N 2.54 0.00 -4.18 -1.89 4.32 -1.15 0.08 117.00 116.72 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 0.54 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.23 1pmr n LEU 76 CO 0.31 0.00 -0.32 -0.60 -1.22 0.00 0.00 177.39 175.57 1pmr s ARG 77 N 1.39 0.96 0.00 3.23 6.06 -1.16 -4.01 118.95 125.43 1pmr s ARG 77 Ca 0.00 -1.45 -0.03 0.00 -2.50 0.00 0.00 55.73 51.75 1pmr s ARG 77 Cb 0.00 0.05 -0.01 0.00 0.06 0.00 0.00 34.95 35.05 1pmr s ARG 77 CO 0.00 -0.20 0.05 -2.00 -2.50 0.00 0.00 175.30 170.65 1pmr s GLU 78 N -3.99 0.29 0.00 5.12 2.12 0.12 -1.92 118.70 120.44 1pmr s GLU 78 Ca 0.22 -0.34 0.00 0.00 0.36 0.00 0.00 54.97 55.21 1pmr s GLU 78 Cb 0.07 0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.57 1pmr s GLU 78 CO 0.01 -0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 1pmr n GLY 79 N 2.00 -1.03 0.00 -1.50 0.00 -1.26 -4.70 105.19 98.69 1pmr n GLY 79 Ca -0.20 0.00 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 -2.01 0.00 0.00 0.00 173.32 171.31