#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 0.01 -1.13 -3.46 1.04 -1.26 -2.61 113.70 106.29 1pmr s SER 2 Ca 0.00 -1.08 -0.22 0.00 0.48 0.00 0.00 55.95 55.12 1pmr s SER 2 Cb 0.00 0.79 -0.05 0.00 0.10 0.00 0.00 66.02 66.86 1pmr s SER 2 CO 0.00 -1.58 1.89 -0.69 0.98 0.00 0.00 173.24 173.84 1pmr s VAL 3 N -2.23 3.61 -1.16 5.02 1.01 -1.15 -4.58 120.40 120.91 1pmr s VAL 3 Ca 0.17 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 61.01 1pmr s VAL 3 Cb -0.05 -4.55 -0.01 0.00 0.00 0.00 0.00 36.38 31.78 1pmr s VAL 3 CO 0.10 -1.15 1.80 -1.81 0.00 0.00 0.00 175.10 174.04 1pmr s ASP 4 N 6.47 5.90 -0.14 3.32 1.11 -1.26 -2.93 116.67 129.14 1pmr s ASP 4 Ca 0.66 -1.78 -0.07 0.00 0.18 0.00 0.00 52.55 51.54 1pmr s ASP 4 Cb -0.01 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 1pmr s ASP 4 CO 0.09 -2.13 0.11 -0.51 1.18 0.00 0.00 175.17 173.91 1pmr s ILE 5 N 7.61 5.28 0.00 0.77 1.10 -1.10 -5.01 121.20 129.85 1pmr s ILE 5 Ca 0.60 0.13 0.00 0.00 -0.51 0.00 0.00 60.65 60.87 1pmr s ILE 5 Cb 0.00 -3.32 0.00 0.00 0.15 0.00 0.00 42.46 39.29 1pmr s ILE 5 CO 0.06 0.57 0.00 0.18 -2.11 0.00 0.00 174.94 173.64 1pmr n LEU 6 N 2.42 0.00 -3.72 8.50 4.32 -1.26 0.68 117.00 127.94 1pmr n LEU 6 Ca -0.19 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.51 1pmr n LEU 6 Cb 0.54 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.21 1pmr n LEU 6 CO 0.32 0.00 -0.27 -0.69 -1.22 0.00 0.00 177.39 175.53 1pmr s VAL 7 N 1.70 1.32 -1.20 4.08 1.01 -1.14 -4.68 120.40 121.49 1pmr s VAL 7 Ca 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 61.98 59.66 1pmr s VAL 7 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1pmr s VAL 7 CO 0.00 -0.84 0.59 -0.81 0.00 0.00 0.00 175.10 174.03 1pmr n PRO 8 N 3.82 0.97 -1.45 2.72 -0.04 -1.26 0.11 135.00 139.87 1pmr n PRO 8 Ca 0.06 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.22 1pmr n PRO 8 Cb 0.36 -1.39 0.02 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.09 7.07 -0.23 3.54 9.92 -1.26 -4.67 116.55 130.83 1pmr n ASP 9 Ca 0.00 -3.49 0.02 0.00 -0.53 0.00 0.00 54.79 50.79 1pmr n ASP 9 Cb 0.19 -1.09 0.14 0.00 -0.64 0.00 0.00 41.12 39.72 1pmr n ASP 9 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1pmr h LEU 10 N 2.92 0.28 0.00 0.64 4.07 -1.77 -3.43 115.31 118.02 1pmr h LEU 10 Ca 0.47 0.08 -0.33 0.00 0.08 0.00 0.00 57.88 58.19 1pmr h LEU 10 Cb 0.59 0.05 0.14 0.00 1.08 0.00 0.00 40.66 42.53 1pmr h LEU 10 CO 1.18 0.15 0.25 -0.81 -1.08 0.00 0.00 178.44 178.13 1pmr n PRO 11 N -4.98 -1.52 -2.35 1.13 -0.04 -1.26 -4.06 135.00 121.92 1pmr n PRO 11 Ca 0.11 -1.52 -0.07 0.00 -0.04 0.00 0.00 63.50 61.97 1pmr n PRO 11 Cb 0.31 -1.13 0.01 0.00 -0.04 0.00 0.00 33.50 32.65 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 -3.47 -1.15 -2.74 0.54 4.07 -1.26 -4.42 120.64 112.21 1pmr n GLU 12 Ca 0.13 0.30 -0.04 0.00 -0.06 0.00 0.00 57.16 57.49 1pmr n GLU 12 Cb 0.45 -4.00 -0.03 0.00 -0.06 0.00 0.00 31.44 27.80 1pmr n GLU 12 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1pmr n SER 13 N 0.52 -2.93 -2.75 4.31 2.88 -1.26 -5.02 113.62 109.38 1pmr n SER 13 Ca -0.05 1.25 -0.07 0.00 -1.33 0.00 0.00 58.87 58.67 1pmr n SER 13 Cb 0.55 -4.39 0.04 0.00 -0.75 0.00 0.00 64.21 59.66 1pmr n SER 13 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1pmr n VAL 14 N 1.76 0.00 1.84 2.46 3.14 -1.26 -4.91 118.33 121.36 1pmr n VAL 14 Ca -0.28 -1.30 0.10 0.00 -2.96 0.00 0.00 64.34 59.90 1pmr n VAL 14 Cb 0.45 1.33 0.57 0.00 -1.06 0.00 0.00 33.84 35.14 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 1.97 2.53 0.00 1.55 0.00 -1.26 -4.50 120.51 120.81 1pmr n ALA 15 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1pmr n ALA 15 Cb 0.62 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.83 0.00 -0.57 0.00 5.75 -1.26 -4.95 116.55 114.69 1pmr n ASP 16 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 1pmr n ASP 16 Cb 0.07 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1pmr n ASP 16 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pmr n ALA 17 N -0.45 0.00 -3.63 2.12 0.00 0.31 -4.38 120.51 114.48 1pmr n ALA 17 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1pmr n ALA 17 Cb 0.00 0.00 -0.07 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 -2.77 0.00 0.46 0.00 2.01 0.22 -1.49 115.64 114.06 1pmr s THR 18 Ca 0.00 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.75 1pmr s THR 18 Cb 0.00 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.43 1pmr s THR 18 CO 0.00 0.00 1.37 0.52 -0.69 0.00 0.00 174.62 175.82 1pmr n VAL 19 N 3.25 2.89 -0.01 3.82 0.31 -0.10 0.18 118.33 128.67 1pmr n VAL 19 Ca -0.16 -0.50 -0.05 0.00 -0.01 0.00 0.00 64.34 63.62 1pmr n VAL 19 Cb 0.56 -1.73 -0.02 0.00 -0.91 0.00 0.00 33.84 31.75 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 -0.35 2.54 -3.42 3.52 0.00 0.12 -1.50 120.51 121.42 1pmr n ALA 20 Ca 0.06 -0.24 0.01 0.00 0.00 0.00 0.00 53.44 53.28 1pmr n ALA 20 Cb 0.41 0.33 -0.03 0.00 0.00 0.00 0.00 19.45 20.16 1pmr n ALA 20 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1pmr s THR 21 N -2.16 -0.78 0.00 0.00 -1.32 -1.12 -4.42 115.64 105.84 1pmr s THR 21 Ca -0.08 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 1pmr s THR 21 Cb 0.03 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 1pmr s THR 21 CO 0.11 0.00 0.00 0.79 -2.21 0.00 0.00 174.62 173.31 1pmr n TRP 22 N 5.30 -2.27 -2.07 9.09 7.02 -1.26 -2.60 117.44 130.66 1pmr n TRP 22 Ca -0.08 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.39 1pmr n TRP 22 Cb 0.51 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.39 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 -2.08 0.00 -4.05 -5.99 8.25 -1.26 -4.84 115.22 105.25 1pmr n HIS 23 Ca 0.00 -0.18 -0.32 0.00 -0.26 0.00 0.00 57.72 56.96 1pmr n HIS 23 Cb 0.00 0.18 -0.15 0.00 1.12 0.00 0.00 29.99 31.14 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 2.06 1.41 -0.41 2.47 -1.26 -4.78 119.74 119.22 1pmr s LYS 24 Ca 0.05 -1.42 -0.22 0.00 -1.56 0.00 0.00 55.97 52.82 1pmr s LYS 24 Cb 0.05 -2.93 0.36 0.00 -1.46 0.00 0.00 37.83 33.86 1pmr s LYS 24 CO -0.02 -0.64 0.88 1.63 0.16 0.00 0.00 175.35 177.36 1pmr n LYS 25 N 4.41 -4.29 -2.04 4.03 4.01 -1.26 -4.70 118.16 118.32 1pmr n LYS 25 Ca -0.11 -1.27 -0.34 0.00 -0.51 0.00 0.00 58.31 56.09 1pmr n LYS 25 Cb 0.42 -1.97 -0.04 0.00 -0.51 0.00 0.00 35.03 32.94 1pmr n LYS 25 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1pmr s PRO 26 N -4.85 2.60 0.00 1.97 0.04 -1.26 -2.88 135.00 130.61 1pmr s PRO 26 Ca 0.67 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1pmr s PRO 26 Cb -0.15 -4.66 0.00 0.00 0.04 0.00 0.00 34.50 29.73 1pmr s PRO 26 CO 0.58 -2.99 0.00 0.41 0.04 0.00 0.00 177.00 175.04 1pmr n GLY 27 N 6.16 0.93 0.00 0.56 0.00 -0.78 -4.76 105.19 107.30 1pmr n GLY 27 Ca 0.28 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.96 0.00 -3.00 1.61 9.92 -1.14 -4.63 116.55 120.26 1pmr n ASP 28 Ca 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1pmr n ASP 28 Cb 0.37 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.85 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 -2.10 -2.83 0.65 2.24 0.00 -1.26 -3.90 121.76 114.56 1pmr s ALA 29 Ca 0.00 0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.32 1pmr s ALA 29 Cb 0.00 -2.80 0.11 0.00 0.00 0.00 0.00 23.12 20.43 1pmr s ALA 29 CO 0.00 -2.29 0.90 0.54 0.00 0.00 0.00 175.76 174.91 1pmr s VAL 30 N 1.62 2.10 0.24 0.00 0.11 0.97 -4.94 120.40 120.50 1pmr s VAL 30 Ca 0.19 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 1pmr s VAL 30 Cb -0.01 -2.29 0.00 0.00 -1.53 0.00 0.00 36.38 32.55 1pmr s VAL 30 CO -0.08 0.00 0.00 0.55 -3.33 0.00 0.00 175.10 172.24 1pmr n VAL 31 N -2.55 0.24 -3.19 2.04 3.14 -1.26 -2.29 118.33 114.46 1pmr n VAL 31 Ca 0.16 0.08 -0.22 0.00 -2.96 0.00 0.00 64.34 61.40 1pmr n VAL 31 Cb 0.61 -0.69 -0.05 0.00 -1.06 0.00 0.00 33.84 32.64 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 -3.43 0.93 0.00 1.45 0.00 -1.26 -3.33 116.66 111.02 1pmr n ARG 32 Ca 0.00 -3.37 0.00 0.00 -0.00 0.00 0.00 57.85 54.48 1pmr n ARG 32 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 30.99 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 0.88 0.00 -2.34 6.15 8.00 -1.26 -4.87 116.55 123.12 1pmr n ASP 33 Ca 0.23 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.69 1pmr n ASP 33 Cb 0.58 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.70 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 0.16 -0.99 -1.24 2.13 -1.14 -4.86 120.64 114.70 1pmr n GLU 34 Ca 0.00 -0.36 -0.36 0.00 0.66 0.00 0.00 57.16 57.10 1pmr n GLU 34 Cb 0.00 -0.15 0.05 0.00 0.27 0.00 0.00 31.44 31.61 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 -1.94 0.03 -3.17 6.31 3.14 -1.26 -3.87 118.33 117.56 1pmr n VAL 35 Ca 0.03 -0.45 -0.20 0.00 -2.96 0.00 0.00 64.34 60.75 1pmr n VAL 35 Cb 0.09 -0.10 -0.04 0.00 -1.06 0.00 0.00 33.84 32.73 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 2.69 1.08 -3.77 6.55 4.32 -1.21 -2.58 117.00 124.08 1pmr n LEU 36 Ca 0.00 -5.02 -0.36 0.00 -0.02 0.00 0.00 56.01 50.61 1pmr n LEU 36 Cb 0.55 0.57 0.03 0.00 -1.62 0.00 0.00 43.42 42.95 1pmr n LEU 36 CO 0.53 2.25 -1.95 0.55 -1.22 0.00 0.00 177.39 177.55 1pmr n VAL 37 N 0.46 0.00 -3.83 4.08 3.14 -1.25 -4.02 118.33 116.91 1pmr n VAL 37 Ca 0.25 -0.06 -0.30 0.00 -2.96 0.00 0.00 64.34 61.27 1pmr n VAL 37 Cb 0.61 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.24 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 1.06 0.00 1.45 0.41 -1.07 -3.20 118.70 115.46 1pmr s GLU 38 Ca 0.34 -1.49 0.00 0.00 -0.41 0.00 0.00 54.97 53.42 1pmr s GLU 38 Cb 0.07 -2.47 0.00 0.00 -1.78 0.00 0.00 34.13 29.95 1pmr s GLU 38 CO 0.64 -0.99 0.00 1.51 -0.49 0.00 0.00 175.26 175.93 1pmr n ILE 39 N 4.46 0.00 -3.30 -1.63 3.06 -1.17 0.15 119.36 120.92 1pmr n ILE 39 Ca 0.01 0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 60.19 1pmr n ILE 39 Cb 0.41 -1.99 -0.06 0.00 0.54 0.00 0.00 39.64 38.53 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 -1.14 0.41 -0.20 9.51 0.41 0.49 -4.44 118.70 123.74 1pmr s GLU 40 Ca 0.00 0.39 -0.17 0.00 -0.41 0.00 0.00 54.97 54.78 1pmr s GLU 40 Cb 0.00 -0.27 -0.07 0.00 -1.78 0.00 0.00 34.13 32.01 1pmr s GLU 40 CO 0.00 -0.84 -0.33 0.25 -0.49 0.00 0.00 175.26 173.85 1pmr n THR 41 N 5.37 1.50 0.00 3.63 -2.24 -1.15 0.69 114.28 122.07 1pmr n THR 41 Ca -0.01 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1pmr n THR 41 Cb 0.50 -2.27 0.00 0.00 -2.10 0.00 0.00 70.33 66.46 1pmr n THR 41 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1pmr n ASP 42 N -4.43 0.00 0.00 3.42 2.03 -1.26 -4.68 116.55 111.62 1pmr n ASP 42 Ca -0.21 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.10 1pmr n ASP 42 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1pmr n ASP 42 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1pmr n LYS 43 N 0.00 0.00 -5.20 -0.67 4.81 -1.26 -4.96 118.16 110.88 1pmr n LYS 43 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 1pmr n LYS 43 Cb 0.00 -0.21 -0.17 0.00 0.02 0.00 0.00 35.03 34.67 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 -1.13 2.15 -0.24 3.15 -7.23 -1.26 -5.10 120.40 110.74 1pmr s VAL 44 Ca 0.00 -1.01 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 1pmr s VAL 44 Cb 0.00 -1.81 0.04 0.00 0.56 0.00 0.00 36.38 35.17 1pmr s VAL 44 CO 0.00 0.56 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.55 1pmr s VAL 45 N 0.11 2.43 0.38 1.32 1.01 -1.26 -2.96 120.40 121.42 1pmr s VAL 45 Ca -0.11 -1.22 -0.23 0.00 0.00 0.00 0.00 61.98 60.42 1pmr s VAL 45 Cb -0.16 -2.25 -0.10 0.00 0.00 0.00 0.00 36.38 33.87 1pmr s VAL 45 CO 0.06 0.20 0.93 -0.76 0.00 0.00 0.00 175.10 175.54 1pmr s LEU 46 N 1.24 4.12 0.75 3.92 2.01 -1.26 -4.80 118.68 124.66 1pmr s LEU 46 Ca -0.02 1.72 -0.01 0.00 0.01 0.00 0.00 54.13 55.84 1pmr s LEU 46 Cb -0.17 -4.28 0.14 0.00 0.01 0.00 0.00 46.19 41.90 1pmr s LEU 46 CO -0.07 -0.22 1.03 -1.61 1.01 0.00 0.00 176.35 176.48 1pmr s GLU 47 N -2.68 1.53 -0.40 1.70 2.02 -1.26 -3.07 118.70 116.53 1pmr s GLU 47 Ca 0.56 -1.22 0.06 0.00 0.02 0.00 0.00 54.97 54.40 1pmr s GLU 47 Cb -0.13 -2.32 0.22 0.00 0.10 0.00 0.00 34.13 32.00 1pmr s GLU 47 CO 0.18 -1.56 0.47 1.55 0.02 0.00 0.00 175.26 175.91 1pmr n VAL 48 N -2.90 -0.86 -2.60 2.63 3.14 -1.20 -4.83 118.33 111.71 1pmr n VAL 48 Ca 0.16 -3.65 -0.43 0.00 -2.96 0.00 0.00 64.34 57.47 1pmr n VAL 48 Cb 0.61 -1.68 -0.02 0.00 -1.06 0.00 0.00 33.84 31.69 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 -0.62 3.59 0.00 1.45 0.04 -1.13 -3.29 135.00 135.03 1pmr s PRO 49 Ca 0.34 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1pmr s PRO 49 Cb 0.12 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1pmr s PRO 49 CO -0.15 -1.56 0.00 0.00 0.04 0.00 0.00 177.00 175.33 1pmr n ALA 50 N 8.18 0.00 -2.07 8.56 0.00 -1.07 -4.79 120.51 129.32 1pmr n ALA 50 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.56 1pmr n ALA 50 Cb 0.49 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.78 0.52 0.00 0.00 3.41 -1.26 -2.86 113.62 111.64 1pmr n SER 51 Ca 0.00 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 1pmr n SER 51 Cb 0.00 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 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 -0.96 7.33 0.00 -1.21 -4.04 120.51 121.65 1pmr n ALA 52 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1pmr n ALA 52 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.28 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 -0.97 -4.78 116.55 120.72 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 2.36 2.81 0.44 0.00 -1.17 -0.02 105.19 109.62 1pmr n GLY 54 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.51 0.00 -1.54 -0.61 5.41 -1.25 -4.36 119.36 116.49 1pmr n ILE 55 Ca 0.00 -0.01 -0.34 0.00 1.00 0.00 0.00 62.75 63.40 1pmr n ILE 55 Cb 0.00 -0.39 -0.06 0.00 -0.71 0.00 0.00 39.64 38.48 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 8.35 1.89 -0.01 1.39 7.94 -1.23 -2.69 117.00 132.64 1pmr n LEU 56 Ca 0.53 -0.53 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 1pmr n LEU 56 Cb 0.03 -1.48 -0.01 0.00 0.53 0.00 0.00 43.42 42.48 1pmr n LEU 56 CO 0.76 -1.58 -0.59 -0.67 -1.11 0.00 0.00 177.39 174.19 1pmr n ASP 57 N 15.30 3.88 -3.62 1.96 2.03 -1.26 -1.87 116.55 132.98 1pmr n ASP 57 Ca 0.43 -0.01 -0.29 0.00 0.52 0.00 0.00 54.79 55.43 1pmr n ASP 57 Cb 0.45 0.06 -0.13 0.00 -0.72 0.00 0.00 41.12 40.78 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 -2.06 1.59 -0.86 -1.67 0.00 0.19 -4.97 121.76 113.97 1pmr s ALA 58 Ca -0.04 -2.19 -0.06 0.00 0.00 0.00 0.00 51.96 49.68 1pmr s ALA 58 Cb 0.01 -1.74 0.22 0.00 0.00 0.00 0.00 23.12 21.60 1pmr s ALA 58 CO 0.07 -2.03 0.76 0.08 0.00 0.00 0.00 175.76 174.65 1pmr s VAL 59 N 0.79 4.77 -1.61 0.00 1.01 -1.25 0.18 120.40 124.28 1pmr s VAL 59 Ca 0.17 -3.31 0.15 0.00 0.00 0.00 0.00 61.98 58.99 1pmr s VAL 59 Cb -0.23 -3.96 0.33 0.00 0.00 0.00 0.00 36.38 32.51 1pmr s VAL 59 CO -0.03 -1.05 1.40 0.18 0.00 0.00 0.00 175.10 175.61 1pmr n LEU 60 N 2.98 0.00 -2.46 3.92 4.77 -1.04 -2.80 117.00 122.37 1pmr n LEU 60 Ca 0.17 0.19 -0.19 0.00 -0.03 0.00 0.00 56.01 56.16 1pmr n LEU 60 Cb 0.39 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1pmr n LEU 60 CO 0.37 -0.10 0.09 -0.62 -1.33 0.00 0.00 177.39 175.81 1pmr n GLU 61 N -1.19 2.75 -1.64 3.23 1.02 0.45 -4.92 120.64 120.33 1pmr n GLU 61 Ca 0.09 -4.02 -0.51 0.00 -0.02 0.00 0.00 57.16 52.70 1pmr n GLU 61 Cb 0.10 -1.95 -0.05 0.00 -0.02 0.00 0.00 31.44 29.51 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 -0.46 2.41 0.00 1.62 8.00 -1.12 -4.58 116.55 122.42 1pmr n ASP 62 Ca 0.29 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.88 1pmr n ASP 62 Cb 0.79 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 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 3.74 0.00 0.00 -1.24 4.71 -1.26 -2.62 120.64 123.97 1pmr n GLU 63 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.35 1pmr n GLU 63 Cb 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.65 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 0.00 1.85 3.67 0.62 0.00 -0.56 -4.91 105.19 105.85 1pmr n GLY 64 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.76 1.97 -0.07 2.61 2.01 -1.08 -4.72 115.64 114.60 1pmr s THR 65 Ca 0.00 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.00 1pmr s THR 65 Cb 0.00 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 1pmr s THR 65 CO 0.00 0.00 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.01 1pmr s THR 66 N -2.99 4.00 0.12 -0.82 2.01 -1.26 -0.92 115.64 115.77 1pmr s THR 66 Ca 0.66 -0.38 -0.13 0.00 0.31 0.00 0.00 61.69 62.15 1pmr s THR 66 Cb -0.18 -2.66 0.02 0.00 0.01 0.00 0.00 72.50 69.69 1pmr s THR 66 CO 0.57 0.59 0.33 0.54 -0.69 0.00 0.00 174.62 175.97 1pmr s VAL 67 N -0.86 0.09 0.00 3.82 0.11 -0.56 -4.87 120.40 118.14 1pmr s VAL 67 Ca 0.13 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 1pmr s VAL 67 Cb -0.11 -1.33 0.00 0.00 -1.53 0.00 0.00 36.38 33.41 1pmr s VAL 67 CO 0.02 -0.40 0.00 0.41 -3.33 0.00 0.00 175.10 171.80 1pmr n THR 68 N -0.18 0.00 -3.45 5.04 -1.04 -1.26 0.12 114.28 113.50 1pmr n THR 68 Ca -0.14 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.47 1pmr n THR 68 Cb 0.63 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.11 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 0.00 4.92 0.00 8.00 7.64 -1.26 -4.20 113.62 128.72 1pmr n SER 69 Ca 0.00 -3.15 0.00 0.00 1.01 0.00 0.00 58.87 56.73 1pmr n SER 69 Cb 0.00 -1.18 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 2.24 0.00 -2.37 1.43 0.63 0.12 -4.42 116.66 114.29 1pmr n ARG 70 Ca 0.23 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.75 1pmr n ARG 70 Cb 0.37 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.25 1pmr n ARG 70 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1pmr s GLN 71 N 0.00 4.44 -0.42 -0.14 -1.52 -1.26 -4.56 119.66 116.19 1pmr s GLN 71 Ca 0.00 1.85 -0.29 0.00 -1.95 0.00 0.00 55.36 54.97 1pmr s GLN 71 Cb 0.00 -3.30 0.02 0.00 -0.22 0.00 0.00 33.01 29.52 1pmr s GLN 71 CO 0.00 -0.22 1.16 -1.50 -0.25 0.00 0.00 175.29 174.48 1pmr s ILE 72 N 0.67 4.24 0.35 1.08 2.07 -1.26 -2.86 121.20 125.49 1pmr s ILE 72 Ca 0.57 1.32 0.15 0.00 -1.41 0.00 0.00 60.65 61.29 1pmr s ILE 72 Cb -0.32 -4.49 0.35 0.00 0.13 0.00 0.00 42.46 38.14 1pmr s ILE 72 CO 0.32 -0.82 1.70 -0.07 -1.91 0.00 0.00 174.94 174.15 1pmr h LEU 73 N 11.04 0.52 0.00 8.50 3.38 -0.02 -3.43 115.31 135.30 1pmr h LEU 73 Ca -0.23 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pmr h LEU 73 Cb 1.07 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1pmr h LEU 73 CO 1.10 -0.03 0.00 0.61 0.09 0.00 0.00 178.44 180.20 1pmr n GLY 74 N -1.35 2.41 3.53 0.83 0.00 -1.18 0.17 105.19 109.60 1pmr n GLY 74 Ca 0.30 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 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 2.96 0.00 1.61 1.70 0.47 -2.71 118.95 120.98 1pmr s ARG 75 Ca 0.00 -0.57 0.00 0.00 -0.47 0.00 0.00 55.73 54.69 1pmr s ARG 75 Cb 0.00 -2.63 0.00 0.00 -0.57 0.00 0.00 34.95 31.75 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 2.61 0.00 -3.83 -1.89 4.32 -1.15 0.52 117.00 117.58 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 -0.09 0.00 -1.62 0.00 0.00 43.42 42.24 1pmr n LEU 76 CO 0.28 0.00 -0.09 -0.60 -1.22 0.00 0.00 177.39 175.76 1pmr s ARG 77 N 0.67 0.63 0.00 3.23 6.06 -1.10 -4.00 118.95 124.45 1pmr s ARG 77 Ca 0.00 -0.47 0.00 0.00 -2.50 0.00 0.00 55.73 52.76 1pmr s ARG 77 Cb 0.00 0.27 0.00 0.00 0.06 0.00 0.00 34.95 35.28 1pmr s ARG 77 CO 0.00 -0.18 0.00 -1.91 -2.50 0.00 0.00 175.30 170.71 1pmr n GLU 78 N 1.02 0.67 0.00 5.12 2.13 -1.07 -2.94 120.64 125.56 1pmr n GLU 78 Ca -0.21 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.61 1pmr n GLU 78 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 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 1.00 -1.65 0.77 8.31 0.00 -1.26 -4.89 105.19 107.46 1pmr n GLY 79 Ca 0.00 0.42 0.10 0.00 0.00 0.00 0.00 46.02 46.54 1pmr n GLY 79 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31