#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 -1.02 -3.46 1.04 -1.26 -1.89 113.70 107.09 1pmr s SER 2 Ca 0.00 -1.03 -0.24 0.00 0.48 0.00 0.00 55.95 55.16 1pmr s SER 2 Cb 0.00 0.52 -0.07 0.00 0.10 0.00 0.00 66.02 66.57 1pmr s SER 2 CO 0.00 -1.03 1.95 -0.69 0.98 0.00 0.00 173.24 174.45 1pmr s VAL 3 N -4.04 3.47 -1.14 5.02 1.01 -0.77 -4.53 120.40 119.42 1pmr s VAL 3 Ca 0.26 -0.58 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 1pmr s VAL 3 Cb 0.02 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1pmr s VAL 3 CO 0.08 -0.93 1.82 -1.81 0.00 0.00 0.00 175.10 174.27 1pmr s ASP 4 N 7.48 5.70 -0.11 3.32 1.01 -1.26 -2.96 116.67 129.85 1pmr s ASP 4 Ca 0.70 -1.64 -0.03 0.00 0.71 0.00 0.00 52.55 52.29 1pmr s ASP 4 Cb -0.04 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 1pmr s ASP 4 CO 0.05 -2.32 0.03 -0.51 0.21 0.00 0.00 175.17 172.62 1pmr s ILE 5 N 8.33 4.52 0.00 0.77 1.10 -1.16 -5.05 121.20 129.71 1pmr s ILE 5 Ca 0.62 -0.16 0.00 0.00 -0.51 0.00 0.00 60.65 60.60 1pmr s ILE 5 Cb -0.01 -2.93 0.00 0.00 0.15 0.00 0.00 42.46 39.67 1pmr s ILE 5 CO 0.06 0.59 0.00 0.00 -2.11 0.00 0.00 174.94 173.48 1pmr n LEU 6 N 2.35 0.00 -3.30 8.50 -0.00 -1.26 -1.46 117.00 121.83 1pmr n LEU 6 Ca -0.19 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.57 1pmr n LEU 6 Cb 0.54 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.88 1pmr n LEU 6 CO 0.30 0.00 -0.05 0.52 -0.00 0.00 0.00 177.39 178.15 1pmr n VAL 7 N 0.00 1.30 0.83 1.47 0.31 -0.86 -4.65 118.33 116.73 1pmr n VAL 7 Ca 0.00 -4.82 0.01 0.00 -0.01 0.00 0.00 64.34 59.51 1pmr n VAL 7 Cb 0.00 -1.91 0.04 0.00 -0.91 0.00 0.00 33.84 31.06 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 0.92 1.36 -0.22 5.55 -0.04 -1.26 -0.14 135.00 141.17 1pmr n PRO 8 Ca 0.27 -0.29 0.03 0.00 -0.04 0.00 0.00 63.50 63.46 1pmr n PRO 8 Cb 0.46 -1.57 0.12 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.06 2.03 -4.48 3.54 9.92 -1.26 -4.90 116.55 121.45 1pmr n ASP 9 Ca 0.03 -2.19 -0.42 0.00 -0.53 0.00 0.00 54.79 51.68 1pmr n ASP 9 Cb 0.34 -0.42 -0.15 0.00 -0.64 0.00 0.00 41.12 40.25 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 0.18 0.31 0.00 0.64 -0.00 -1.26 -4.81 117.00 112.07 1pmr n LEU 10 Ca 0.08 0.20 0.00 0.00 -0.00 0.00 0.00 56.01 56.29 1pmr n LEU 10 Cb 0.42 -0.92 0.00 0.00 -0.00 0.00 0.00 43.42 42.92 1pmr n LEU 10 CO 0.08 -0.72 0.01 -0.81 -0.00 0.00 0.00 177.39 175.95 1pmr n PRO 11 N 8.45 0.00 -1.86 1.47 -0.04 -1.26 -4.90 135.00 136.86 1pmr n PRO 11 Ca 0.65 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 64.11 1pmr n PRO 11 Cb 0.03 -0.32 0.02 0.00 -0.04 0.00 0.00 33.50 33.19 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 -0.29 0.61 -3.60 0.54 1.02 -1.26 -5.10 120.64 112.56 1pmr n GLU 12 Ca 0.00 -1.92 -0.12 0.00 -0.02 0.00 0.00 57.16 55.09 1pmr n GLU 12 Cb 0.00 -0.14 -0.06 0.00 -0.02 0.00 0.00 31.44 31.21 1pmr n GLU 12 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1pmr s SER 13 N -1.98 -0.54 -0.39 1.62 0.15 -1.26 -5.07 113.70 106.23 1pmr s SER 13 Ca 0.19 0.86 0.12 0.00 0.70 0.00 0.00 55.95 57.81 1pmr s SER 13 Cb 0.28 0.81 0.42 0.00 -1.71 0.00 0.00 66.02 65.82 1pmr s SER 13 CO -0.09 -0.31 0.99 0.55 1.20 0.00 0.00 173.24 175.57 1pmr n VAL 14 N 1.70 1.55 -0.64 4.45 3.14 -1.26 -4.84 118.33 122.43 1pmr n VAL 14 Ca -0.14 -4.10 -0.16 0.00 -2.96 0.00 0.00 64.34 56.98 1pmr n VAL 14 Cb 0.56 -0.30 0.06 0.00 -1.06 0.00 0.00 33.84 33.10 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 4.79 -0.56 1.55 0.00 -1.26 -4.99 120.51 119.84 1pmr n ALA 15 Ca 0.23 -1.64 0.04 0.00 0.00 0.00 0.00 53.44 52.08 1pmr n ALA 15 Cb 0.71 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 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 0.08 -3.33 -0.49 0.00 8.00 -1.26 -4.96 116.55 114.60 1pmr n ASP 16 Ca 0.31 0.34 0.00 0.00 0.71 0.00 0.00 54.79 56.15 1pmr n ASP 16 Cb 0.75 -0.96 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 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 -0.76 0.00 -3.62 2.24 0.00 0.71 -4.60 120.51 114.48 1pmr n ALA 17 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1pmr n ALA 17 Cb 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.00 -1.09 0.00 2.01 -0.90 -2.84 115.64 110.34 1pmr s THR 18 Ca 0.00 0.01 -0.23 0.00 0.31 0.00 0.00 61.69 61.78 1pmr s THR 18 Cb 0.00 -0.92 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 1pmr s THR 18 CO 0.00 0.01 1.90 -0.69 -0.69 0.00 0.00 174.62 175.14 1pmr s VAL 19 N 1.18 3.58 0.15 3.82 1.01 -1.17 0.12 120.40 129.08 1pmr s VAL 19 Ca -0.07 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 60.82 1pmr s VAL 19 Cb -0.05 -4.46 -0.06 0.00 0.00 0.00 0.00 36.38 31.81 1pmr s VAL 19 CO -0.12 -1.11 1.47 0.00 0.00 0.00 0.00 175.10 175.34 1pmr n ALA 20 N 13.49 -0.59 -3.64 5.51 0.00 0.57 0.34 120.51 136.19 1pmr n ALA 20 Ca 0.43 0.78 -0.02 0.00 0.00 0.00 0.00 53.44 54.62 1pmr n ALA 20 Cb 0.47 -0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.75 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 -5.34 -0.02 0.00 0.00 2.01 -1.01 -4.36 115.64 106.91 1pmr s THR 21 Ca -0.11 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1pmr s THR 21 Cb 0.10 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.61 1pmr s THR 21 CO 0.57 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 175.29 1pmr n TRP 22 N 3.77 -2.36 -2.07 4.92 7.02 -1.26 -2.61 117.44 124.86 1pmr n TRP 22 Ca -0.18 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.29 1pmr n TRP 22 Cb 0.57 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.45 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 -2.03 0.00 -4.63 -5.99 8.25 -1.26 -4.84 115.22 104.72 1pmr n HIS 23 Ca 0.00 -0.18 -0.33 0.00 -0.26 0.00 0.00 57.72 56.95 1pmr n HIS 23 Cb 0.00 0.18 -0.15 0.00 1.12 0.00 0.00 29.99 31.15 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 3.31 1.10 -0.41 2.47 -1.26 -4.84 119.74 120.10 1pmr s LYS 24 Ca 0.05 -0.71 -0.17 0.00 -1.56 0.00 0.00 55.97 53.57 1pmr s LYS 24 Cb 0.05 -2.65 0.24 0.00 -1.46 0.00 0.00 37.83 34.01 1pmr s LYS 24 CO -0.02 0.10 1.15 0.15 0.16 0.00 0.00 175.35 176.89 1pmr s LYS 25 N 0.62 -0.39 -0.75 4.03 3.01 -1.26 -4.87 119.74 120.13 1pmr s LYS 25 Ca -0.08 -0.02 -0.26 0.00 -1.01 0.00 0.00 55.97 54.60 1pmr s LYS 25 Cb -0.16 -1.69 -0.03 0.00 -1.01 0.00 0.00 37.83 34.95 1pmr s LYS 25 CO 0.03 -3.17 1.86 -1.25 0.51 0.00 0.00 175.35 173.33 1pmr s PRO 26 N -5.43 2.65 0.00 -1.68 0.04 -1.26 -2.97 135.00 126.35 1pmr s PRO 26 Ca 0.70 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1pmr s PRO 26 Cb -0.10 -4.69 0.00 0.00 0.04 0.00 0.00 34.50 29.75 1pmr s PRO 26 CO 0.55 -2.96 0.00 0.41 0.04 0.00 0.00 177.00 175.04 1pmr n GLY 27 N 6.20 0.96 0.00 0.56 0.00 -0.75 -4.78 105.19 107.36 1pmr n GLY 27 Ca 0.28 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 1.26 -0.51 -2.82 1.61 9.92 -1.16 -4.57 116.55 120.28 1pmr n ASP 28 Ca 0.00 -0.10 -0.03 0.00 -0.53 0.00 0.00 54.79 54.14 1pmr n ASP 28 Cb 0.41 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.90 1pmr n ASP 28 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pmr s ALA 29 N -2.55 -2.66 1.00 2.24 0.00 -1.18 -2.68 121.76 115.93 1pmr s ALA 29 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 1pmr s ALA 29 Cb 0.00 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.36 1pmr s ALA 29 CO 0.00 -2.30 0.10 1.55 0.00 0.00 0.00 175.76 175.11 1pmr n VAL 30 N 3.17 0.00 0.00 0.00 3.14 0.76 -4.81 118.33 120.60 1pmr n VAL 30 Ca 0.15 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 1pmr n VAL 30 Cb 0.58 -1.90 0.00 0.00 -1.06 0.00 0.00 33.84 31.46 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 -2.18 0.00 -2.21 1.55 0.24 -1.26 -2.71 118.33 111.76 1pmr n VAL 31 Ca 0.01 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.91 1pmr n VAL 31 Cb 0.04 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 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 4.61 0.00 7.34 1.74 -1.26 -1.83 116.66 127.26 1pmr n ARG 32 Ca 0.00 -3.75 0.00 0.00 -0.77 0.00 0.00 57.85 53.33 1pmr n ARG 32 Cb 0.00 -2.64 0.00 0.00 -1.02 0.00 0.00 32.46 28.80 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 1.69 0.00 -1.50 0.55 8.00 -1.25 -4.97 116.55 119.07 1pmr n ASP 33 Ca 0.54 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.04 1pmr n ASP 33 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 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 1.47 -0.77 -1.24 2.13 -1.15 -4.81 120.64 116.28 1pmr n GLU 34 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 1pmr n GLU 34 Cb 0.00 0.00 0.13 0.00 0.27 0.00 0.00 31.44 31.84 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 -0.71 0.00 -3.18 6.31 3.14 -1.26 -4.25 118.33 118.38 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 0.00 -0.59 -0.03 0.00 -1.06 0.00 0.00 33.84 32.16 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 -1.24 0.88 -3.81 6.55 4.32 -1.19 -2.76 117.00 119.75 1pmr n LEU 36 Ca 0.05 -5.00 -0.37 0.00 -0.02 0.00 0.00 56.01 50.67 1pmr n LEU 36 Cb 0.56 0.70 0.03 0.00 -1.62 0.00 0.00 43.42 43.09 1pmr n LEU 36 CO 0.51 2.28 -1.96 0.55 -1.22 0.00 0.00 177.39 177.54 1pmr n VAL 37 N 0.27 0.00 -3.81 4.08 3.14 -1.25 -4.08 118.33 116.68 1pmr n VAL 37 Ca 0.25 -0.06 -0.28 0.00 -2.96 0.00 0.00 64.34 61.29 1pmr n VAL 37 Cb 0.66 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 33.28 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 1.00 0.00 1.45 2.02 -1.07 -3.17 118.70 117.02 1pmr s GLU 38 Ca 0.35 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.78 1pmr s GLU 38 Cb 0.07 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 32.13 1pmr s GLU 38 CO 0.65 -0.59 0.00 1.51 0.02 0.00 0.00 175.26 176.85 1pmr n ILE 39 N 4.94 0.00 -3.51 -1.63 3.06 -1.15 0.21 119.36 121.28 1pmr n ILE 39 Ca -0.10 0.00 -0.27 0.00 -2.50 0.00 0.00 62.75 59.88 1pmr n ILE 39 Cb 0.47 -1.25 -0.14 0.00 0.54 0.00 0.00 39.64 39.26 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 0.02 0.23 -0.70 9.51 2.02 0.32 -4.23 118.70 125.88 1pmr s GLU 40 Ca 0.00 -0.48 -0.01 0.00 0.02 0.00 0.00 54.97 54.50 1pmr s GLU 40 Cb 0.00 -1.07 0.41 0.00 0.10 0.00 0.00 34.13 33.57 1pmr s GLU 40 CO 0.00 -1.03 1.92 2.41 0.02 0.00 0.00 175.26 178.59 1pmr n THR 41 N 5.23 3.47 -1.79 3.63 -1.04 -0.42 -2.11 114.28 121.25 1pmr n THR 41 Ca -0.05 -3.66 -0.01 0.00 -2.04 0.00 0.00 64.05 58.29 1pmr n THR 41 Cb 0.43 -1.20 0.01 0.00 -1.82 0.00 0.00 70.33 67.75 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 -0.73 -2.93 0.00 8.00 -0.08 -1.26 -3.88 116.55 115.67 1pmr n ASP 42 Ca 0.57 -0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.79 1pmr n ASP 42 Cb 0.52 -1.57 0.00 0.00 2.34 0.00 0.00 41.12 42.41 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 -1.43 0.00 -3.42 -0.67 4.81 -1.26 -4.94 118.16 111.25 1pmr n LYS 43 Ca -0.01 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.99 1pmr n LYS 43 Cb 0.51 -0.28 -0.06 0.00 0.02 0.00 0.00 35.03 35.22 1pmr n LYS 43 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1pmr s VAL 44 N -1.26 4.89 -0.40 3.15 -7.23 -1.25 -5.03 120.40 113.28 1pmr s VAL 44 Ca 0.00 -1.90 -0.22 0.00 -1.81 0.00 0.00 61.98 58.05 1pmr s VAL 44 Cb 0.00 -4.13 0.01 0.00 0.56 0.00 0.00 36.38 32.82 1pmr s VAL 44 CO 0.00 -0.88 0.70 -0.69 -0.31 0.00 0.00 175.10 173.92 1pmr s VAL 45 N 1.09 4.79 0.56 1.32 1.01 -1.26 -1.30 120.40 126.61 1pmr s VAL 45 Ca 0.08 0.50 -0.09 0.00 0.00 0.00 0.00 61.98 62.48 1pmr s VAL 45 Cb -0.24 -4.18 0.13 0.00 0.00 0.00 0.00 36.38 32.08 1pmr s VAL 45 CO -0.01 -0.49 0.76 0.18 0.00 0.00 0.00 175.10 175.53 1pmr n LEU 46 N 6.31 0.00 0.00 3.92 7.99 -1.26 -4.76 117.00 129.21 1pmr n LEU 46 Ca 0.00 -0.90 -0.24 0.00 -0.01 0.00 0.00 56.01 54.85 1pmr n LEU 46 Cb 0.48 -0.57 -0.06 0.00 -0.11 0.00 0.00 43.42 43.16 1pmr n LEU 46 CO 0.53 -1.02 -0.17 -0.62 -1.51 0.00 0.00 177.39 174.60 1pmr n GLU 47 N -2.58 0.72 -3.08 3.23 1.02 -1.26 -2.91 120.64 115.78 1pmr n GLU 47 Ca 0.10 -3.12 -0.16 0.00 -0.02 0.00 0.00 57.16 53.96 1pmr n GLU 47 Cb 0.34 1.39 -0.04 0.00 -0.02 0.00 0.00 31.44 33.11 1pmr n GLU 47 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1pmr n VAL 48 N -0.91 -0.62 -2.68 2.62 3.14 -1.19 -4.82 118.33 113.86 1pmr n VAL 48 Ca -0.10 -2.33 -0.43 0.00 -2.96 0.00 0.00 64.34 58.53 1pmr n VAL 48 Cb 0.55 -0.38 -0.03 0.00 -1.06 0.00 0.00 33.84 32.91 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 0.37 3.46 0.00 1.45 0.04 -1.14 -3.19 135.00 135.99 1pmr s PRO 49 Ca 0.32 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.44 1pmr s PRO 49 Cb 0.04 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1pmr s PRO 49 CO -0.13 -1.57 0.00 0.00 0.04 0.00 0.00 177.00 175.33 1pmr n ALA 50 N 8.00 0.00 -1.21 8.56 0.00 -1.11 -4.78 120.51 129.97 1pmr n ALA 50 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1pmr n ALA 50 Cb 0.48 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 -0.15 0.15 0.00 0.00 3.41 -1.26 -2.92 113.62 112.86 1pmr n SER 51 Ca 0.00 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 1pmr n SER 51 Cb 0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 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 -0.06 0.00 -0.51 7.33 0.00 -0.76 -3.93 120.51 122.59 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 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.10 -4.73 116.55 118.72 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 0.45 3.50 0.44 0.00 -1.22 -0.17 105.19 108.20 1pmr n GLY 54 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.54 -0.61 5.41 -1.09 -4.23 119.36 115.29 1pmr n ILE 55 Ca 0.00 -0.13 -0.35 0.00 1.00 0.00 0.00 62.75 63.27 1pmr n ILE 55 Cb 0.00 -0.65 -0.07 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 10.46 1.71 -0.05 1.39 7.94 -1.24 -2.88 117.00 134.34 1pmr n LEU 56 Ca 0.64 -0.44 -0.07 0.00 -1.11 0.00 0.00 56.01 55.02 1pmr n LEU 56 Cb 0.09 -1.42 -0.04 0.00 0.53 0.00 0.00 43.42 42.58 1pmr n LEU 56 CO 0.93 -1.48 -0.82 -0.67 -1.11 0.00 0.00 177.39 174.25 1pmr n ASP 57 N 14.70 2.88 -3.57 1.96 -0.08 -1.26 -1.82 116.55 129.37 1pmr n ASP 57 Ca 0.45 -0.03 -0.29 0.00 -1.51 0.00 0.00 54.79 53.42 1pmr n ASP 57 Cb 0.41 -0.17 -0.13 0.00 2.34 0.00 0.00 41.12 43.57 1pmr n ASP 57 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pmr s ALA 58 N -2.19 1.17 -0.85 -1.67 0.00 0.11 -4.99 121.76 113.35 1pmr s ALA 58 Ca -0.13 -1.78 -0.11 0.00 0.00 0.00 0.00 51.96 49.94 1pmr s ALA 58 Cb 0.04 -1.61 0.22 0.00 0.00 0.00 0.00 23.12 21.77 1pmr s ALA 58 CO 0.21 -1.92 0.78 0.08 0.00 0.00 0.00 175.76 174.91 1pmr s VAL 59 N 1.28 5.37 -1.54 0.00 1.01 -1.25 0.79 120.40 126.05 1pmr s VAL 59 Ca 0.14 -2.74 0.15 0.00 0.00 0.00 0.00 61.98 59.53 1pmr s VAL 59 Cb -0.21 -4.32 0.29 0.00 0.00 0.00 0.00 36.38 32.15 1pmr s VAL 59 CO -0.12 -1.03 1.40 0.18 0.00 0.00 0.00 175.10 175.52 1pmr n LEU 60 N 3.64 0.00 -2.58 3.92 4.77 -1.03 -2.90 117.00 122.82 1pmr n LEU 60 Ca 0.15 0.23 -0.21 0.00 -0.03 0.00 0.00 56.01 56.15 1pmr n LEU 60 Cb 0.44 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1pmr n LEU 60 CO 0.35 -0.12 0.07 -0.62 -1.33 0.00 0.00 177.39 175.75 1pmr n GLU 61 N -1.23 2.58 -1.49 3.23 1.02 0.40 -4.90 120.64 120.24 1pmr n GLU 61 Ca 0.08 -4.07 -0.48 0.00 -0.02 0.00 0.00 57.16 52.67 1pmr n GLU 61 Cb 0.11 -1.89 -0.06 0.00 -0.02 0.00 0.00 31.44 29.58 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 -0.31 2.41 0.00 1.62 8.00 -1.14 -4.37 116.55 122.76 1pmr n ASP 62 Ca 0.28 0.31 0.00 0.00 0.71 0.00 0.00 54.79 56.09 1pmr n ASP 62 Cb 0.70 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 1pmr n ASP 62 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pmr n GLU 63 N 8.40 0.00 0.00 -1.24 4.71 -1.26 -3.05 120.64 128.20 1pmr n GLU 63 Ca 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.53 1pmr n GLU 63 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.73 1pmr n GLU 63 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pmr n GLY 64 N 0.63 2.05 3.42 0.62 0.00 0.15 -4.93 105.19 107.13 1pmr n GLY 64 Ca 0.00 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 1.56 -2.79 2.61 -1.04 -1.17 -4.43 114.28 109.02 1pmr n THR 65 Ca 0.00 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.10 1pmr n THR 65 Cb 0.00 -0.43 -0.04 0.00 -1.82 0.00 0.00 70.33 68.04 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 -1.52 4.84 0.26 12.58 2.01 -1.26 -3.02 115.64 129.52 1pmr s THR 66 Ca 0.63 1.92 -0.11 0.00 0.31 0.00 0.00 61.69 64.44 1pmr s THR 66 Cb -0.61 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 67.64 1pmr s THR 66 CO 0.59 0.22 0.46 0.54 -0.69 0.00 0.00 174.62 175.73 1pmr s VAL 67 N 0.74 0.00 0.00 3.82 0.11 -1.13 -4.96 120.40 118.97 1pmr s VAL 67 Ca 0.48 -1.47 0.00 0.00 -2.93 0.00 0.00 61.98 58.05 1pmr s VAL 67 Cb -0.21 -2.30 0.00 0.00 -1.53 0.00 0.00 36.38 32.34 1pmr s VAL 67 CO 0.26 0.00 0.00 1.07 -3.33 0.00 0.00 175.10 173.10 1pmr n THR 68 N -0.40 0.00 -3.11 5.04 5.66 -1.26 0.25 114.28 120.47 1pmr n THR 68 Ca -0.01 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.55 1pmr n THR 68 Cb 0.62 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 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 5.92 0.00 1.09 3.41 -1.26 -4.06 113.62 118.73 1pmr n SER 69 Ca 0.00 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 1pmr n SER 69 Cb 0.00 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 62.61 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 2.25 0.00 -0.20 4.33 1.74 0.80 -4.52 116.66 121.07 1pmr n ARG 70 Ca 0.26 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.29 1pmr n ARG 70 Cb 0.36 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.84 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 -1.20 -4.63 5.56 6.02 -1.26 -4.64 117.38 117.23 1pmr n GLN 71 Ca 0.00 -0.30 -0.27 0.00 -0.01 0.00 0.00 57.00 56.42 1pmr n GLN 71 Cb 0.00 -0.27 -0.17 0.00 1.02 0.00 0.00 30.24 30.82 1pmr n GLN 71 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1pmr s ILE 72 N -1.36 1.38 0.19 5.09 2.07 -1.26 -2.02 121.20 125.28 1pmr s ILE 72 Ca 0.12 -0.60 -0.09 0.00 -1.41 0.00 0.00 60.65 58.67 1pmr s ILE 72 Cb -0.01 -1.25 0.10 0.00 0.13 0.00 0.00 42.46 41.44 1pmr s ILE 72 CO 0.09 0.41 1.71 -0.07 -1.91 0.00 0.00 174.94 175.17 1pmr h LEU 73 N 7.09 1.03 0.00 8.50 3.38 -1.52 -3.42 115.31 130.37 1pmr h LEU 73 Ca -0.29 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1pmr h LEU 73 Cb 1.19 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1pmr h LEU 73 CO 0.47 1.00 0.00 0.61 0.09 0.00 0.00 178.44 180.61 1pmr n GLY 74 N -0.67 1.00 3.41 0.83 0.00 -1.19 0.15 105.19 108.72 1pmr n GLY 74 Ca 0.05 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.70 2.13 0.00 1.61 1.70 0.24 -2.96 118.95 119.97 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 -2.16 0.00 0.00 -0.57 0.00 0.00 34.95 32.22 1pmr s ARG 75 CO 0.00 0.56 0.00 1.28 -1.08 0.00 0.00 175.30 176.06 1pmr n LEU 76 N 1.97 0.00 -4.04 -1.89 4.32 -1.16 0.07 117.00 116.27 1pmr n LEU 76 Ca -0.16 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.73 1pmr n LEU 76 Cb 0.52 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.23 1pmr n LEU 76 CO 0.25 0.00 -0.17 -0.60 -1.22 0.00 0.00 177.39 175.64 1pmr s ARG 77 N 1.17 0.98 0.01 3.23 3.52 -1.14 -4.04 118.95 122.68 1pmr s ARG 77 Ca 0.00 -1.28 -0.01 0.00 -0.13 0.00 0.00 55.73 54.31 1pmr s ARG 77 Cb 0.00 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.70 1pmr s ARG 77 CO 0.00 -0.31 0.05 -1.91 -0.81 0.00 0.00 175.30 172.32 1pmr n GLU 78 N -0.12 0.04 0.00 5.12 2.13 -0.79 -1.85 120.64 125.16 1pmr n GLU 78 Ca -0.08 -0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.66 1pmr n GLU 78 Cb 0.63 0.11 0.00 0.00 0.27 0.00 0.00 31.44 32.45 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 -0.03 4.68 3.33 8.31 0.00 -1.26 -4.71 105.19 115.51 1pmr n GLY 79 Ca -0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1pmr n GLY 79 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31