#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 -0.28 -1.19 6.43 0.01 -1.26 -0.52 113.70 116.88 1pmr s SER 2 Ca 0.00 -0.10 -0.22 0.00 1.31 0.00 0.00 55.95 56.95 1pmr s SER 2 Cb 0.00 0.37 -0.04 0.00 0.21 0.00 0.00 66.02 66.56 1pmr s SER 2 CO 0.00 -0.62 1.87 -0.69 0.41 0.00 0.00 173.24 174.21 1pmr s VAL 3 N -3.04 3.70 -1.32 3.43 1.01 -1.25 -4.49 120.40 118.44 1pmr s VAL 3 Ca 0.08 -1.14 -0.18 0.00 0.00 0.00 0.00 61.98 60.74 1pmr s VAL 3 Cb -0.01 -4.71 0.06 0.00 0.00 0.00 0.00 36.38 31.72 1pmr s VAL 3 CO -0.06 -1.28 1.82 0.47 0.00 0.00 0.00 175.10 176.05 1pmr n ASP 4 N 12.67 4.71 -4.88 3.32 9.92 -1.25 -2.61 116.55 138.43 1pmr n ASP 4 Ca 0.45 -2.90 -0.32 0.00 -0.53 0.00 0.00 54.79 51.49 1pmr n ASP 4 Cb 0.47 -1.73 -0.05 0.00 -0.64 0.00 0.00 41.12 39.16 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 4.32 5.00 0.00 0.53 1.10 -0.72 -4.95 121.20 126.48 1pmr s ILE 5 Ca 0.54 0.36 0.00 0.00 -0.51 0.00 0.00 60.65 61.03 1pmr s ILE 5 Cb 0.05 -3.62 0.00 0.00 0.15 0.00 0.00 42.46 39.04 1pmr s ILE 5 CO 0.06 -0.02 0.00 0.00 -2.11 0.00 0.00 174.94 172.87 1pmr n LEU 6 N -0.02 0.00 -3.06 8.50 -0.00 -1.26 0.42 117.00 121.58 1pmr n LEU 6 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.78 1pmr n LEU 6 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.91 1pmr n LEU 6 CO 0.46 0.00 -0.05 0.52 -0.00 0.00 0.00 177.39 178.32 1pmr n VAL 7 N 0.00 1.38 0.87 1.47 0.31 0.53 -4.65 118.33 118.26 1pmr n VAL 7 Ca 0.00 -5.05 0.00 0.00 -0.01 0.00 0.00 64.34 59.29 1pmr n VAL 7 Cb 0.00 -0.79 0.03 0.00 -0.91 0.00 0.00 33.84 32.17 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 0.02 1.28 -0.01 5.55 -0.04 -1.26 -0.09 135.00 140.44 1pmr n PRO 8 Ca 0.28 -0.22 0.01 0.00 -0.04 0.00 0.00 63.50 63.53 1pmr n PRO 8 Cb 0.53 -1.55 0.06 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.04 0.13 -4.42 3.54 9.92 -1.26 -4.86 116.55 119.64 1pmr n ASP 9 Ca 0.02 -1.95 -0.41 0.00 -0.53 0.00 0.00 54.79 51.92 1pmr n ASP 9 Cb 0.32 -0.02 -0.15 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 -0.45 0.31 0.10 0.64 -0.00 -1.26 -4.73 117.00 111.61 1pmr n LEU 10 Ca 0.02 0.21 -0.23 0.00 -0.00 0.00 0.00 56.01 56.01 1pmr n LEU 10 Cb 0.03 -0.90 -0.14 0.00 -0.00 0.00 0.00 43.42 42.40 1pmr n LEU 10 CO 0.02 -0.71 -0.09 1.55 -0.00 0.00 0.00 177.39 178.15 1pmr h PRO 11 N 11.64 0.57 0.00 1.47 0.13 -1.97 -3.49 132.00 140.35 1pmr h PRO 11 Ca -0.05 -0.83 0.00 0.00 -0.87 0.00 0.00 66.00 64.25 1pmr h PRO 11 Cb 1.30 0.28 0.00 0.00 0.13 0.00 0.00 31.00 32.71 1pmr h PRO 11 CO 1.35 1.38 0.00 -1.91 -0.23 0.00 0.00 178.00 178.59 1pmr n GLU 12 N -3.82 0.00 -3.12 0.86 2.13 -1.26 -5.11 120.64 110.32 1pmr n GLU 12 Ca -0.15 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.28 1pmr n GLU 12 Cb 0.99 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.65 1pmr n GLU 12 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1pmr s SER 13 N 2.00 6.93 -0.48 4.31 1.04 -1.26 -5.00 113.70 121.24 1pmr s SER 13 Ca 0.00 1.12 0.07 0.00 0.48 0.00 0.00 55.95 57.62 1pmr s SER 13 Cb 0.00 -2.38 0.19 0.00 0.10 0.00 0.00 66.02 63.92 1pmr s SER 13 CO 0.00 -0.06 0.69 -0.69 0.98 0.00 0.00 173.24 174.16 1pmr s VAL 14 N 0.60 -0.98 -1.68 5.02 1.01 -1.26 -4.63 120.40 118.49 1pmr s VAL 14 Ca 0.34 -0.68 0.18 0.00 0.00 0.00 0.00 61.98 61.82 1pmr s VAL 14 Cb -0.17 -0.02 0.40 0.00 0.00 0.00 0.00 36.38 36.58 1pmr s VAL 14 CO 0.17 -0.02 1.50 0.00 0.00 0.00 0.00 175.10 176.75 1pmr n ALA 15 N 3.46 2.05 0.00 5.51 0.00 -1.26 -4.66 120.51 125.60 1pmr n ALA 15 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1pmr n ALA 15 Cb 0.56 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.16 0.00 -1.29 0.00 9.92 -1.26 -5.02 116.55 117.74 1pmr n ASP 16 Ca 0.11 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.36 1pmr n ASP 16 Cb 0.10 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 1pmr n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pmr n ALA 17 N 0.00 -0.34 -3.62 2.24 0.00 0.95 -4.70 120.51 115.05 1pmr n ALA 17 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 1pmr n ALA 17 Cb 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.53 -0.00 -1.05 0.00 2.01 -1.02 -2.00 115.64 111.05 1pmr s THR 18 Ca 0.03 0.01 -0.24 0.00 0.31 0.00 0.00 61.69 61.80 1pmr s THR 18 Cb -0.00 -0.94 -0.08 0.00 0.01 0.00 0.00 72.50 71.49 1pmr s THR 18 CO 0.01 0.00 1.96 -0.69 -0.69 0.00 0.00 174.62 175.21 1pmr s VAL 19 N 1.01 3.47 0.10 3.82 1.01 -1.15 0.13 120.40 128.79 1pmr s VAL 19 Ca -0.05 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.08 1pmr s VAL 19 Cb -0.05 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.00 1pmr s VAL 19 CO -0.09 -0.91 1.37 0.00 0.00 0.00 0.00 175.10 175.47 1pmr h ALA 20 N 10.56 -0.53 -1.67 5.51 0.00 0.34 0.46 119.26 133.92 1pmr h ALA 20 Ca 0.15 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1pmr h ALA 20 Cb 0.97 1.10 -0.23 0.00 0.00 0.00 0.00 17.79 19.63 1pmr h ALA 20 CO 1.20 -0.76 0.09 0.99 0.00 0.00 0.00 179.25 180.78 1pmr s THR 21 N -4.77 -0.46 0.00 0.00 2.01 -1.10 -4.23 115.64 107.09 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 0.06 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.57 1pmr s THR 21 CO 0.42 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 175.14 1pmr n TRP 22 N 4.75 -2.36 -2.08 4.92 7.02 -1.26 -2.71 117.44 125.71 1pmr n TRP 22 Ca -0.14 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.33 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 -2.15 0.00 -4.92 -5.99 8.25 -1.26 -4.85 115.22 104.30 1pmr n HIS 23 Ca 0.00 -0.20 -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 3.12 1.00 -0.41 2.47 -1.26 -4.83 119.74 119.84 1pmr s LYS 24 Ca 0.05 -0.82 -0.17 0.00 -1.56 0.00 0.00 55.97 53.48 1pmr s LYS 24 Cb 0.06 -2.44 0.22 0.00 -1.46 0.00 0.00 37.83 34.22 1pmr s LYS 24 CO -0.03 0.12 1.31 0.15 0.16 0.00 0.00 175.35 177.06 1pmr s LYS 25 N 0.52 0.34 -0.80 4.03 3.01 -1.26 -4.89 119.74 120.69 1pmr s LYS 25 Ca -0.13 -0.42 -0.25 0.00 -1.01 0.00 0.00 55.97 54.16 1pmr s LYS 25 Cb -0.17 -1.81 -0.04 0.00 -1.01 0.00 0.00 37.83 34.80 1pmr s LYS 25 CO 0.05 -2.62 1.95 -1.25 0.51 0.00 0.00 175.35 173.99 1pmr s PRO 26 N -5.87 2.53 -0.11 -1.68 0.04 -1.26 -3.01 135.00 125.64 1pmr s PRO 26 Ca 0.75 0.05 -0.01 0.00 0.04 0.00 0.00 61.00 61.83 1pmr s PRO 26 Cb -0.04 -4.84 0.00 0.00 0.04 0.00 0.00 34.50 29.67 1pmr s PRO 26 CO 0.54 -3.22 0.10 0.41 0.04 0.00 0.00 177.00 174.86 1pmr n GLY 27 N 6.48 0.69 0.00 0.56 0.00 -0.35 -4.78 105.19 107.79 1pmr n GLY 27 Ca 0.34 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.39 0.00 0.00 1.61 9.92 -1.16 -4.62 116.55 122.69 1pmr n ASP 28 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 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 n ALA 29 N -3.00 0.00 -1.00 2.24 0.00 -1.17 -4.52 120.51 113.07 1pmr n ALA 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pmr n ALA 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.06 -4.80 118.33 116.61 1pmr n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1pmr n VAL 30 Cb 0.00 -1.97 0.00 0.00 -1.06 0.00 0.00 33.84 30.81 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 -1.65 0.00 -1.23 1.55 0.24 -1.26 -2.79 118.33 113.18 1pmr n VAL 31 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.99 1pmr n VAL 31 Cb 0.00 0.00 0.09 0.00 -1.47 0.00 0.00 33.84 32.46 1pmr n VAL 31 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1pmr n ARG 32 N 0.00 2.49 0.00 7.34 0.63 -1.26 -0.72 116.66 125.14 1pmr n ARG 32 Ca 0.00 -2.98 0.00 0.00 -0.92 0.00 0.00 57.85 53.95 1pmr n ARG 32 Cb 0.00 -2.17 0.00 0.00 0.45 0.00 0.00 32.46 30.74 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 -0.77 0.00 -2.05 6.15 8.00 -1.26 -4.89 116.55 121.73 1pmr n ASP 33 Ca 0.57 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 56.07 1pmr n ASP 33 Cb 0.79 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 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 0.14 -0.66 -1.24 2.13 -1.16 -4.80 120.64 115.05 1pmr n GLU 34 Ca 0.00 -0.06 -0.31 0.00 0.66 0.00 0.00 57.16 57.45 1pmr n GLU 34 Cb 0.00 -0.03 0.18 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 -1.87 0.00 -3.14 6.31 3.14 -1.26 -4.28 118.33 117.22 1pmr n VAL 35 Ca 0.00 -0.23 -0.18 0.00 -2.96 0.00 0.00 64.34 60.97 1pmr n VAL 35 Cb 0.01 -0.80 -0.03 0.00 -1.06 0.00 0.00 33.84 31.97 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 -2.99 0.37 -3.79 6.55 4.32 -1.17 -2.76 117.00 117.53 1pmr n LEU 36 Ca 0.06 -4.81 -0.36 0.00 -0.02 0.00 0.00 56.01 50.88 1pmr n LEU 36 Cb 0.55 0.73 0.03 0.00 -1.62 0.00 0.00 43.42 43.11 1pmr n LEU 36 CO 0.52 2.23 -1.71 0.55 -1.22 0.00 0.00 177.39 177.76 1pmr n VAL 37 N 0.53 0.00 -3.80 4.08 3.14 -1.25 -4.17 118.33 116.86 1pmr n VAL 37 Ca 0.22 -0.21 -0.30 0.00 -2.96 0.00 0.00 64.34 61.10 1pmr n VAL 37 Cb 0.64 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.27 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 -1.90 1.05 0.00 1.45 2.02 -1.10 -3.37 118.70 116.85 1pmr s GLU 38 Ca 0.36 -1.50 0.00 0.00 0.02 0.00 0.00 54.97 53.85 1pmr s GLU 38 Cb -0.02 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.83 1pmr s GLU 38 CO 0.70 -1.02 0.00 1.51 0.02 0.00 0.00 175.26 176.47 1pmr n ILE 39 N 4.39 0.00 -3.75 -1.63 0.13 -1.14 0.90 119.36 118.25 1pmr n ILE 39 Ca 0.02 0.00 -0.27 0.00 -1.10 0.00 0.00 62.75 61.40 1pmr n ILE 39 Cb 0.40 -1.98 -0.17 0.00 -0.84 0.00 0.00 39.64 37.06 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 -1.42 0.69 0.00 9.51 0.41 0.36 -4.24 118.70 124.01 1pmr s GLU 40 Ca 0.00 -0.30 0.00 0.00 -0.41 0.00 0.00 54.97 54.26 1pmr s GLU 40 Cb 0.00 -1.83 0.00 0.00 -1.78 0.00 0.00 34.13 30.52 1pmr s GLU 40 CO 0.00 -0.54 0.00 2.41 -0.49 0.00 0.00 175.26 176.64 1pmr n THR 41 N 5.06 0.00 -3.21 3.63 -1.04 -0.38 -2.44 114.28 115.90 1pmr n THR 41 Ca -0.09 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.47 1pmr n THR 41 Cb 0.48 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.98 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 -0.18 7.09 0.00 8.00 2.15 -1.26 -4.45 116.67 128.01 1pmr s ASP 42 Ca 0.00 -3.13 0.00 0.00 0.43 0.00 0.00 52.55 49.85 1pmr s ASP 42 Cb 0.00 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 1pmr s ASP 42 CO 0.00 -0.52 0.00 1.17 -0.17 0.00 0.00 175.17 175.65 1pmr n LYS 43 N 3.98 0.00 -4.21 4.34 0.00 -1.26 -4.98 118.16 116.03 1pmr n LYS 43 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 58.31 58.32 1pmr n LYS 43 Cb 0.43 -0.54 -0.07 0.00 0.00 0.00 0.00 35.03 34.84 1pmr n LYS 43 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1pmr s VAL 44 N -1.44 2.87 -0.09 3.15 1.01 -1.26 -5.13 120.40 119.51 1pmr s VAL 44 Ca 0.00 -1.83 0.01 0.00 0.00 0.00 0.00 61.98 60.17 1pmr s VAL 44 Cb 0.00 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1pmr s VAL 44 CO 0.00 -0.20 -0.12 -0.69 0.00 0.00 0.00 175.10 174.09 1pmr s VAL 45 N -2.46 1.24 0.54 2.92 1.01 -1.26 -1.25 120.40 121.14 1pmr s VAL 45 Ca 0.36 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.69 1pmr s VAL 45 Cb -0.02 -1.16 -0.07 0.00 0.00 0.00 0.00 36.38 35.13 1pmr s VAL 45 CO 0.21 0.39 1.00 -0.76 0.00 0.00 0.00 175.10 175.94 1pmr s LEU 46 N 1.06 3.55 0.45 3.92 1.43 -1.26 -4.88 118.68 122.96 1pmr s LEU 46 Ca -0.06 1.56 0.06 0.00 -1.03 0.00 0.00 54.13 54.66 1pmr s LEU 46 Cb -0.15 -4.50 -0.02 0.00 0.03 0.00 0.00 46.19 41.55 1pmr s LEU 46 CO -0.02 -0.67 0.25 -1.61 0.23 0.00 0.00 176.35 174.54 1pmr s GLU 47 N -4.24 2.28 -0.40 1.70 2.02 -1.26 -2.90 118.70 115.89 1pmr s GLU 47 Ca 0.59 -1.87 0.08 0.00 0.02 0.00 0.00 54.97 53.78 1pmr s GLU 47 Cb -0.10 -2.04 0.25 0.00 0.10 0.00 0.00 34.13 32.33 1pmr s GLU 47 CO 0.35 -0.27 0.55 0.28 0.02 0.00 0.00 175.26 176.20 1pmr n VAL 48 N -1.42 -0.64 -2.68 2.63 0.31 -1.22 -4.85 118.33 110.47 1pmr n VAL 48 Ca -0.02 -3.71 -0.43 0.00 -0.01 0.00 0.00 64.34 60.17 1pmr n VAL 48 Cb 0.64 -1.57 -0.03 0.00 -0.91 0.00 0.00 33.84 31.98 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 -0.93 3.87 0.00 5.55 0.04 -1.14 -3.07 135.00 139.31 1pmr s PRO 49 Ca 0.35 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1pmr s PRO 49 Cb 0.17 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.89 1pmr s PRO 49 CO -0.13 -1.09 0.00 0.00 0.04 0.00 0.00 177.00 175.82 1pmr n ALA 50 N 7.19 0.00 -3.16 8.56 0.00 -1.11 -4.87 120.51 127.11 1pmr n ALA 50 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.37 1pmr n ALA 50 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.36 0.65 0.00 0.00 3.41 -1.26 -2.98 113.62 112.08 1pmr n SER 51 Ca 0.00 -3.05 0.00 0.00 -0.26 0.00 0.00 58.87 55.56 1pmr n SER 51 Cb 0.00 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 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 0.29 0.00 -0.25 7.33 0.00 0.10 -4.80 120.51 123.18 1pmr n ALA 52 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1pmr n ALA 52 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 -1.12 -4.79 116.55 120.56 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 0.00 3.54 0.44 0.00 -1.24 -0.89 105.19 107.05 1pmr n GLY 54 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.42 -0.01 -1.45 -0.61 5.41 -1.26 -4.18 119.36 115.84 1pmr n ILE 55 Ca 0.00 -0.52 -0.58 0.00 1.00 0.00 0.00 62.75 62.65 1pmr n ILE 55 Cb 0.31 -1.66 -0.09 0.00 -0.71 0.00 0.00 39.64 37.49 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 15.38 1.50 -0.01 1.39 7.94 -1.25 -3.02 117.00 138.94 1pmr n LEU 56 Ca 0.51 0.73 -0.01 0.00 -1.11 0.00 0.00 56.01 56.12 1pmr n LEU 56 Cb 0.37 -1.05 -0.01 0.00 0.53 0.00 0.00 43.42 43.27 1pmr n LEU 56 CO 0.69 -0.71 -0.55 -0.67 -1.11 0.00 0.00 177.39 175.05 1pmr n ASP 57 N 7.45 2.62 -3.26 1.96 2.03 -1.24 -1.21 116.55 124.90 1pmr n ASP 57 Ca 0.43 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.51 1pmr n ASP 57 Cb 0.07 -0.03 -0.08 0.00 -0.72 0.00 0.00 41.12 40.36 1pmr n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pmr n ALA 58 N -2.72 2.08 -2.54 -1.67 0.00 -0.12 -5.02 120.51 110.51 1pmr n ALA 58 Ca -0.03 -2.84 -0.41 0.00 0.00 0.00 0.00 53.44 50.16 1pmr n ALA 58 Cb 0.53 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 1pmr n ALA 58 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pmr s VAL 59 N -0.02 3.94 -1.56 0.00 1.01 -1.26 -1.45 120.40 121.06 1pmr s VAL 59 Ca 0.33 -1.01 0.15 0.00 0.00 0.00 0.00 61.98 61.44 1pmr s VAL 59 Cb 0.06 -5.04 0.29 0.00 0.00 0.00 0.00 36.38 31.69 1pmr s VAL 59 CO -0.17 -1.91 1.38 0.18 0.00 0.00 0.00 175.10 174.58 1pmr n LEU 60 N 9.05 0.00 -2.61 3.92 4.77 -0.98 -2.79 117.00 128.37 1pmr n LEU 60 Ca 0.37 0.22 -0.19 0.00 -0.03 0.00 0.00 56.01 56.38 1pmr n LEU 60 Cb 0.50 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1pmr n LEU 60 CO 0.68 -0.12 0.04 -0.62 -1.33 0.00 0.00 177.39 176.05 1pmr n GLU 61 N -1.22 2.36 -1.58 3.23 1.02 0.46 -4.91 120.64 120.00 1pmr n GLU 61 Ca 0.08 -3.95 -0.59 0.00 -0.02 0.00 0.00 57.16 52.68 1pmr n GLU 61 Cb 0.10 -1.80 -0.08 0.00 -0.02 0.00 0.00 31.44 29.64 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 -0.26 0.79 -3.34 1.62 8.00 -1.12 -4.58 116.55 117.66 1pmr n ASP 62 Ca 0.25 1.15 -0.47 0.00 0.71 0.00 0.00 54.79 56.43 1pmr n ASP 62 Cb 0.71 -0.99 -0.07 0.00 -0.02 0.00 0.00 41.12 40.75 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 2.50 0.00 0.00 -1.24 0.28 -1.26 -2.07 120.64 118.85 1pmr n GLU 63 Ca 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.22 1pmr n GLU 63 Cb 0.09 -1.06 0.00 0.00 1.43 0.00 0.00 31.44 31.90 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 2.64 0.97 3.96 -1.84 0.00 0.16 -4.90 105.19 106.18 1pmr n GLY 64 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 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 5.20 0.51 2.61 2.01 -0.88 -4.88 115.64 118.21 1pmr s THR 65 Ca 0.00 -0.79 -0.20 0.00 0.31 0.00 0.00 61.69 61.01 1pmr s THR 65 Cb 0.00 -3.86 -0.07 0.00 0.01 0.00 0.00 72.50 68.58 1pmr s THR 65 CO 0.00 -0.42 1.11 -0.89 -0.69 0.00 0.00 174.62 173.74 1pmr s THR 66 N -2.11 3.30 0.23 -0.82 2.01 -1.26 -2.94 115.64 114.06 1pmr s THR 66 Ca 0.36 0.84 -0.11 0.00 0.31 0.00 0.00 61.69 63.09 1pmr s THR 66 Cb -0.09 -3.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.05 1pmr s THR 66 CO 0.32 -0.15 0.42 0.54 -0.69 0.00 0.00 174.62 175.07 1pmr s VAL 67 N -1.77 0.01 0.23 3.82 0.11 -0.85 -4.86 120.40 117.08 1pmr s VAL 67 Ca 0.70 -1.45 0.05 0.00 -2.93 0.00 0.00 61.98 58.34 1pmr s VAL 67 Cb -0.23 -2.19 -0.02 0.00 -1.53 0.00 0.00 36.38 32.41 1pmr s VAL 67 CO 0.27 -0.03 0.17 0.41 -3.33 0.00 0.00 175.10 172.59 1pmr n THR 68 N -0.35 0.00 -1.94 5.04 -1.04 -1.26 -0.03 114.28 114.69 1pmr n THR 68 Ca -0.02 -1.60 -0.42 0.00 -2.04 0.00 0.00 64.05 59.97 1pmr n THR 68 Cb 0.62 0.77 0.00 0.00 -1.82 0.00 0.00 70.33 69.90 1pmr n THR 68 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1pmr n SER 69 N -2.07 4.55 0.00 8.00 7.64 -1.25 -3.28 113.62 127.21 1pmr n SER 69 Ca 0.04 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 56.98 1pmr n SER 69 Cb 0.40 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 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 5.10 0.00 -0.79 1.43 0.63 0.87 -4.56 116.66 119.34 1pmr n ARG 70 Ca 0.48 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 57.09 1pmr n ARG 70 Cb 0.37 0.00 0.15 0.00 0.45 0.00 0.00 32.46 33.43 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 0.00 -0.30 -3.61 -0.14 1.13 -1.20 -4.25 117.38 109.01 1pmr n GLN 71 Ca 0.00 -0.02 -0.40 0.00 -1.94 0.00 0.00 57.00 54.64 1pmr n GLN 71 Cb 0.00 -2.23 -0.11 0.00 0.11 0.00 0.00 30.24 28.01 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 -2.47 4.68 0.22 5.09 2.07 -1.26 -0.34 121.20 129.18 1pmr s ILE 72 Ca 0.65 -0.59 -0.09 0.00 -1.41 0.00 0.00 60.65 59.22 1pmr s ILE 72 Cb -0.24 -3.48 0.20 0.00 0.13 0.00 0.00 42.46 39.07 1pmr s ILE 72 CO 0.59 -0.07 1.68 -0.07 -1.91 0.00 0.00 174.94 175.16 1pmr h LEU 73 N 8.41 -0.12 0.00 8.50 3.38 -0.30 -3.42 115.31 131.76 1pmr h LEU 73 Ca -0.29 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1pmr h LEU 73 Cb 1.13 0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1pmr h LEU 73 CO 0.64 -0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.72 1pmr n GLY 74 N -1.35 -0.93 3.15 0.83 0.00 -1.17 0.17 105.19 105.89 1pmr n GLY 74 Ca 0.11 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.66 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 1.23 0.00 1.61 3.03 -0.53 -1.76 118.95 120.53 1pmr s ARG 75 Ca 0.00 -0.64 0.00 0.00 2.03 0.00 0.00 55.73 57.12 1pmr s ARG 75 Cb 0.00 -1.22 0.00 0.00 -1.03 0.00 0.00 34.95 32.70 1pmr s ARG 75 CO 0.00 0.33 0.00 1.28 -1.13 0.00 0.00 175.30 175.78 1pmr n LEU 76 N 2.45 0.00 -3.60 -1.89 4.32 -1.07 -0.94 117.00 116.26 1pmr n LEU 76 Ca -0.15 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.72 1pmr n LEU 76 Cb 0.54 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.30 1pmr n LEU 76 CO 0.24 0.00 0.20 -0.60 -1.22 0.00 0.00 177.39 176.01 1pmr s ARG 77 N 1.42 1.07 0.00 3.23 3.52 -1.17 -3.66 118.95 123.37 1pmr s ARG 77 Ca 0.00 -0.59 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 1pmr s ARG 77 Cb 0.00 0.48 0.00 0.00 -1.56 0.00 0.00 34.95 33.87 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 -0.10 0.00 -0.08 5.12 2.13 0.32 -3.63 120.64 124.40 1pmr n GLU 78 Ca -0.17 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.48 1pmr n GLU 78 Cb 0.63 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.22 1pmr n GLU 78 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1pmr h GLY 79 N 0.00 0.02 0.00 8.31 0.00 -2.00 -1.11 103.07 108.29 1pmr h GLY 79 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1pmr h GLY 79 CO 0.00 0.04 0.00 0.70 0.00 0.00 0.00 176.54 177.28