#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 -0.97 6.43 1.04 -1.26 -2.85 113.70 116.08 1pmr s SER 2 Ca 0.00 -0.49 -0.24 0.00 0.48 0.00 0.00 55.95 55.70 1pmr s SER 2 Cb 0.00 0.38 -0.06 0.00 0.10 0.00 0.00 66.02 66.45 1pmr s SER 2 CO 0.00 -0.75 1.95 -0.69 0.98 0.00 0.00 173.24 174.72 1pmr s VAL 3 N -2.26 3.47 -0.56 5.02 1.01 -0.95 -4.69 120.40 121.44 1pmr s VAL 3 Ca 0.22 -0.49 -0.27 0.00 0.00 0.00 0.00 61.98 61.43 1pmr s VAL 3 Cb -0.01 -4.13 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 1pmr s VAL 3 CO 0.03 -0.95 1.62 -1.81 0.00 0.00 0.00 175.10 173.99 1pmr s ASP 4 N 7.70 5.80 -0.10 3.32 1.01 -1.26 -2.84 116.67 130.30 1pmr s ASP 4 Ca 0.70 0.41 -0.04 0.00 0.71 0.00 0.00 52.55 54.33 1pmr s ASP 4 Cb -0.05 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1pmr s ASP 4 CO 0.03 -1.95 0.06 -0.63 0.21 0.00 0.00 175.17 172.88 1pmr s ILE 5 N 7.20 4.77 0.00 0.77 -1.09 -0.91 -5.02 121.20 126.93 1pmr s ILE 5 Ca 0.60 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.95 1pmr s ILE 5 Cb -0.13 -3.04 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1pmr s ILE 5 CO 0.24 0.61 0.00 0.00 -1.23 0.00 0.00 174.94 174.56 1pmr n LEU 6 N 2.06 0.00 -2.94 2.97 -0.00 -1.26 0.12 117.00 117.96 1pmr n LEU 6 Ca -0.19 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.63 1pmr n LEU 6 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.95 1pmr n LEU 6 CO 0.29 0.00 -0.08 0.52 -0.00 0.00 0.00 177.39 178.13 1pmr n VAL 7 N 0.00 1.06 0.25 1.47 0.31 -0.89 -4.72 118.33 115.81 1pmr n VAL 7 Ca 0.00 -4.48 -0.02 0.00 -0.01 0.00 0.00 64.34 59.83 1pmr n VAL 7 Cb 0.00 -0.39 0.01 0.00 -0.91 0.00 0.00 33.84 32.54 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 0.01 1.08 -0.34 5.55 -0.04 -1.26 -0.29 135.00 139.71 1pmr n PRO 8 Ca 0.24 -0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 1pmr n PRO 8 Cb 0.64 -1.07 0.30 0.00 -0.04 0.00 0.00 33.50 33.33 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 0.82 3.78 -3.82 3.54 8.00 -1.26 -4.80 116.55 122.81 1pmr n ASP 9 Ca 0.04 -2.00 -0.29 0.00 0.71 0.00 0.00 54.79 53.25 1pmr n ASP 9 Cb 0.54 -0.45 -0.16 0.00 -0.02 0.00 0.00 41.12 41.04 1pmr n ASP 9 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pmr s LEU 10 N -1.07 1.91 0.00 0.64 1.02 -1.26 -5.05 118.68 114.88 1pmr s LEU 10 Ca 0.47 -1.08 0.00 0.00 0.02 0.00 0.00 54.13 53.53 1pmr s LEU 10 Cb 0.25 -0.87 0.00 0.00 0.02 0.00 0.00 46.19 45.58 1pmr s LEU 10 CO 0.32 -0.29 0.02 -0.81 0.02 0.00 0.00 176.35 175.62 1pmr n PRO 11 N 4.86 0.00 -0.92 1.29 -0.04 -1.26 -4.76 135.00 134.17 1pmr n PRO 11 Ca -0.09 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.02 1pmr n PRO 11 Cb 0.45 -0.28 0.07 0.00 -0.04 0.00 0.00 33.50 33.71 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 -0.22 -0.12 -2.64 0.54 1.02 -1.26 -4.84 120.64 113.11 1pmr n GLU 12 Ca 0.00 -0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.70 1pmr n GLU 12 Cb 0.00 -1.31 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 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 -1.37 7.33 0.00 1.62 0.15 -1.26 -4.96 113.70 115.21 1pmr s SER 13 Ca 0.46 1.79 0.00 0.00 0.70 0.00 0.00 55.95 58.90 1pmr s SER 13 Cb -0.18 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1pmr s SER 13 CO 0.77 -0.26 0.00 0.52 1.20 0.00 0.00 173.24 175.47 1pmr n VAL 14 N 3.55 0.00 0.02 4.45 0.31 -1.26 -5.12 118.33 120.29 1pmr n VAL 14 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1pmr n VAL 14 Cb 0.49 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 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 -3.00 2.85 0.00 3.52 0.00 -1.26 -5.14 120.51 117.47 1pmr n ALA 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pmr n ALA 15 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.64 0.00 -0.71 0.00 8.00 -1.26 -4.99 116.55 114.95 1pmr n ASP 16 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1pmr n ASP 16 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.00 0.00 -3.65 2.24 0.00 -0.72 -2.55 120.51 115.83 1pmr n ALA 17 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1pmr n ALA 17 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.77 -0.80 0.51 0.00 2.01 -0.48 -2.45 115.64 112.66 1pmr s THR 18 Ca 0.00 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 1pmr s THR 18 Cb 0.00 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.42 1pmr s THR 18 CO 0.00 0.00 0.74 0.52 -0.69 0.00 0.00 174.62 175.19 1pmr n VAL 19 N 5.22 2.48 0.00 3.82 0.31 -0.99 -0.25 118.33 128.92 1pmr n VAL 19 Ca -0.14 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1pmr n VAL 19 Cb 0.51 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 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 -1.23 2.81 -3.15 3.52 0.00 0.19 -2.58 120.51 120.07 1pmr n ALA 20 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.59 1pmr n ALA 20 Cb 0.44 0.34 -0.01 0.00 0.00 0.00 0.00 19.45 20.22 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 -1.94 -0.99 0.00 0.00 2.01 -1.08 -4.64 115.64 108.99 1pmr s THR 21 Ca 0.00 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1pmr s THR 21 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1pmr s THR 21 CO 0.00 -0.00 0.00 0.79 -0.69 0.00 0.00 174.62 174.72 1pmr n TRP 22 N 5.43 -1.37 -2.68 4.92 7.02 -1.26 -2.36 117.44 127.13 1pmr n TRP 22 Ca -0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.44 1pmr n TRP 22 Cb 0.51 0.00 0.12 0.00 -2.42 0.00 0.00 31.31 29.53 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 -1.33 -2.07 -4.05 -5.99 8.25 -1.26 -4.82 115.22 103.96 1pmr n HIS 23 Ca 0.00 -1.79 -0.24 0.00 -0.26 0.00 0.00 57.72 55.44 1pmr n HIS 23 Cb 0.00 1.52 -0.17 0.00 1.12 0.00 0.00 29.99 32.46 1pmr n HIS 23 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1pmr s LYS 24 N 0.02 1.14 1.01 -0.41 -0.14 -1.26 -4.72 119.74 115.38 1pmr s LYS 24 Ca 0.13 -0.15 -0.17 0.00 -1.36 0.00 0.00 55.97 54.42 1pmr s LYS 24 Cb 0.43 -1.21 0.25 0.00 -1.68 0.00 0.00 37.83 35.63 1pmr s LYS 24 CO -0.12 -0.18 0.93 1.17 -0.76 0.00 0.00 175.35 176.39 1pmr n LYS 25 N 4.58 -2.67 -1.90 1.68 3.00 -1.26 -4.80 118.16 116.80 1pmr n LYS 25 Ca -0.16 -1.48 -0.27 0.00 -0.00 0.00 0.00 58.31 56.40 1pmr n LYS 25 Cb 0.50 -1.35 -0.05 0.00 0.00 0.00 0.00 35.03 34.14 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 -5.09 2.32 -0.71 1.64 0.04 -1.26 -3.10 135.00 128.84 1pmr s PRO 26 Ca 0.59 0.24 -0.01 0.00 0.04 0.00 0.00 61.00 61.86 1pmr s PRO 26 Cb -0.05 -4.81 0.00 0.00 0.04 0.00 0.00 34.50 29.68 1pmr s PRO 26 CO 0.45 -3.45 0.60 0.41 0.04 0.00 0.00 177.00 175.05 1pmr n GLY 27 N 6.51 0.01 0.00 0.56 0.00 -0.53 -4.82 105.19 106.91 1pmr n GLY 27 Ca 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.98 0.00 0.00 1.61 9.92 -1.18 -4.58 116.55 120.34 1pmr n ASP 28 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 1pmr n ASP 28 Cb 0.58 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 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 -2.05 2.24 0.00 -1.26 -4.66 120.51 111.79 1pmr n ALA 29 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1pmr n ALA 29 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1pmr n ALA 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pmr s VAL 30 N 0.00 2.45 0.00 0.00 0.11 0.78 -4.96 120.40 118.79 1pmr s VAL 30 Ca 0.00 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.02 1pmr s VAL 30 Cb 0.00 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.37 1pmr s VAL 30 CO 0.00 0.00 0.00 0.55 -3.33 0.00 0.00 175.10 172.32 1pmr n VAL 31 N -2.06 0.00 -3.18 2.04 3.14 -1.26 -2.54 118.33 114.47 1pmr n VAL 31 Ca 0.12 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.25 1pmr n VAL 31 Cb 0.61 -0.29 -0.06 0.00 -1.06 0.00 0.00 33.84 33.04 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 -2.47 2.14 0.00 1.45 0.00 -1.26 -3.13 116.66 113.38 1pmr n ARG 32 Ca 0.00 -4.23 0.00 0.00 -0.00 0.00 0.00 57.85 53.62 1pmr n ARG 32 Cb 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 32.46 30.50 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 0.48 0.00 -3.78 6.15 8.00 -1.26 -4.90 116.55 121.25 1pmr n ASP 33 Ca 0.28 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.62 1pmr n ASP 33 Cb 0.47 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.65 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 0.00 -0.68 -4.84 120.64 113.05 1pmr n GLU 34 Ca 0.00 -1.90 -0.35 0.00 0.00 0.00 0.00 57.16 54.91 1pmr n GLU 34 Cb 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 31.44 31.04 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 -2.36 0.00 -3.19 6.31 3.14 -1.26 -3.56 118.33 117.41 1pmr n VAL 35 Ca 0.11 -0.48 -0.20 0.00 -2.96 0.00 0.00 64.34 60.81 1pmr n VAL 35 Cb 0.41 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.15 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 3.31 0.68 -3.59 6.55 4.32 -1.21 -2.37 117.00 124.70 1pmr n LEU 36 Ca -0.01 -4.93 -0.33 0.00 -0.02 0.00 0.00 56.01 50.71 1pmr n LEU 36 Cb 0.54 0.69 0.03 0.00 -1.62 0.00 0.00 43.42 43.06 1pmr n LEU 36 CO 0.51 2.24 -1.46 0.55 -1.22 0.00 0.00 177.39 178.01 1pmr n VAL 37 N 0.56 0.00 -3.96 4.08 3.14 -1.25 -4.17 118.33 116.73 1pmr n VAL 37 Ca 0.24 -0.29 -0.31 0.00 -2.96 0.00 0.00 64.34 61.02 1pmr n VAL 37 Cb 0.63 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.26 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 -1.80 1.32 0.00 1.45 0.41 -0.99 -3.31 118.70 115.78 1pmr s GLU 38 Ca 0.35 -1.70 0.00 0.00 -0.41 0.00 0.00 54.97 53.20 1pmr s GLU 38 Cb -0.07 -2.95 0.00 0.00 -1.78 0.00 0.00 34.13 29.33 1pmr s GLU 38 CO 0.69 -0.95 0.00 1.51 -0.49 0.00 0.00 175.26 176.02 1pmr n ILE 39 N 4.38 0.00 -3.28 -1.63 0.13 -1.14 0.54 119.36 118.36 1pmr n ILE 39 Ca 0.03 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.55 1pmr n ILE 39 Cb 0.42 -1.76 -0.06 0.00 -0.84 0.00 0.00 39.64 37.40 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 -1.17 0.74 0.93 9.51 0.41 0.65 -4.58 118.70 125.20 1pmr s GLU 40 Ca 0.00 -0.88 -0.13 0.00 -0.41 0.00 0.00 54.97 53.55 1pmr s GLU 40 Cb 0.00 -0.56 0.21 0.00 -1.78 0.00 0.00 34.13 32.00 1pmr s GLU 40 CO 0.00 -1.23 1.27 2.41 -0.49 0.00 0.00 175.26 177.22 1pmr n THR 41 N 4.02 0.00 -2.55 3.63 -1.04 0.11 -1.39 114.28 117.06 1pmr n THR 41 Ca 0.13 -1.15 -0.41 0.00 -2.04 0.00 0.00 64.05 60.58 1pmr n THR 41 Cb 0.49 -1.34 -0.03 0.00 -1.82 0.00 0.00 70.33 67.62 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 -5.73 6.16 0.00 8.00 -1.08 -1.06 -3.59 116.67 119.37 1pmr s ASP 42 Ca 0.74 -0.46 0.00 0.00 -0.52 0.00 0.00 52.55 52.31 1pmr s ASP 42 Cb -0.02 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 1pmr s ASP 42 CO 0.51 -1.83 0.00 1.17 0.52 0.00 0.00 175.17 175.54 1pmr n LYS 43 N 9.35 0.00 -4.66 4.34 4.81 -1.26 -4.98 118.16 125.76 1pmr n LYS 43 Ca 0.03 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.17 1pmr n LYS 43 Cb 0.49 -0.64 -0.13 0.00 0.02 0.00 0.00 35.03 34.77 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 -1.38 2.47 -0.29 3.15 1.01 -1.24 -5.10 120.40 119.01 1pmr s VAL 44 Ca 0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 61.98 60.56 1pmr s VAL 44 Cb 0.00 -2.03 0.10 0.00 0.00 0.00 0.00 36.38 34.44 1pmr s VAL 44 CO 0.00 0.28 0.10 -0.69 0.00 0.00 0.00 175.10 174.79 1pmr s VAL 45 N -0.93 0.58 0.00 2.92 1.01 -1.26 0.06 120.40 122.77 1pmr s VAL 45 Ca 0.14 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1pmr s VAL 45 Cb -0.10 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1pmr s VAL 45 CO 0.05 -0.65 0.00 0.18 0.00 0.00 0.00 175.10 174.68 1pmr n LEU 46 N 4.98 0.00 0.00 3.92 7.99 -1.26 -4.93 117.00 127.70 1pmr n LEU 46 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 1pmr n LEU 46 Cb 0.42 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 1pmr n LEU 46 CO 0.09 -0.47 0.00 -1.84 -1.51 0.00 0.00 177.39 173.66 1pmr n GLU 47 N -0.94 0.00 -2.83 3.23 0.28 -1.26 -2.87 120.64 116.24 1pmr n GLU 47 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.93 1pmr n GLU 47 Cb 0.00 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 32.87 1pmr n GLU 47 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1pmr n VAL 48 N 0.00 -0.15 -2.58 3.84 3.14 -1.21 -4.84 118.33 116.53 1pmr n VAL 48 Ca 0.00 -1.29 -0.42 0.00 -2.96 0.00 0.00 64.34 59.67 1pmr n VAL 48 Cb 0.00 0.69 -0.03 0.00 -1.06 0.00 0.00 33.84 33.44 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 0.77 3.40 0.59 1.45 0.04 -1.16 -3.33 135.00 136.76 1pmr s PRO 49 Ca 0.30 0.06 -0.10 0.00 0.04 0.00 0.00 61.00 61.31 1pmr s PRO 49 Cb 0.01 -4.07 0.14 0.00 0.04 0.00 0.00 34.50 30.62 1pmr s PRO 49 CO -0.07 -1.83 0.62 0.00 0.04 0.00 0.00 177.00 175.76 1pmr n ALA 50 N 8.70 -1.40 -1.75 8.56 0.00 -1.00 -4.76 120.51 128.87 1pmr n ALA 50 Ca 0.06 -0.87 0.05 0.00 0.00 0.00 0.00 53.44 52.68 1pmr n ALA 50 Cb 0.49 -0.05 0.08 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 -3.77 1.16 0.00 0.00 3.41 -1.26 -1.69 113.62 111.47 1pmr n SER 51 Ca 0.08 -2.63 0.00 0.00 -0.26 0.00 0.00 58.87 56.07 1pmr n SER 51 Cb 0.30 -0.34 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 -0.52 0.00 -0.64 7.33 0.00 -1.19 -3.98 120.51 121.51 1pmr n ALA 52 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1pmr n ALA 52 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 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 -1.05 -4.81 116.55 118.69 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 0.23 3.52 0.44 0.00 -1.20 -0.16 105.19 108.03 1pmr n GLY 54 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.81 -0.02 -1.50 -0.61 5.41 -1.26 -4.52 119.36 115.05 1pmr n ILE 55 Ca 0.00 -0.38 -0.41 0.00 1.00 0.00 0.00 62.75 62.96 1pmr n ILE 55 Cb 0.00 -1.15 -0.13 0.00 -0.71 0.00 0.00 39.64 37.65 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 11.84 0.56 -0.09 1.39 -0.00 -1.26 -1.95 117.00 127.48 1pmr n LEU 56 Ca 0.57 0.11 -0.18 0.00 -0.00 0.00 0.00 56.01 56.51 1pmr n LEU 56 Cb 0.24 -1.00 -0.06 0.00 -0.00 0.00 0.00 43.42 42.59 1pmr n LEU 56 CO 0.87 -0.83 -1.02 -0.67 -0.00 0.00 0.00 177.39 175.74 1pmr n ASP 57 N 11.07 1.63 -3.38 1.96 -0.08 -1.26 -1.45 116.55 125.03 1pmr n ASP 57 Ca 0.62 0.28 -0.14 0.00 -1.51 0.00 0.00 54.79 54.04 1pmr n ASP 57 Cb 0.09 -0.65 -0.09 0.00 2.34 0.00 0.00 41.12 42.81 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 -2.51 -0.75 -0.88 -1.67 0.00 -0.11 -5.00 121.76 110.85 1pmr s ALA 58 Ca -0.28 0.17 -0.13 0.00 0.00 0.00 0.00 51.96 51.72 1pmr s ALA 58 Cb 0.09 -1.77 0.23 0.00 0.00 0.00 0.00 23.12 21.67 1pmr s ALA 58 CO 0.37 -1.55 0.82 0.14 0.00 0.00 0.00 175.76 175.54 1pmr s VAL 59 N 2.44 5.62 -1.29 0.00 -7.23 -1.26 -1.10 120.40 117.59 1pmr s VAL 59 Ca 0.10 -2.68 0.14 0.00 -1.81 0.00 0.00 61.98 57.72 1pmr s VAL 59 Cb -0.14 -4.46 0.20 0.00 0.56 0.00 0.00 36.38 32.54 1pmr s VAL 59 CO -0.26 -1.06 1.39 0.00 -0.31 0.00 0.00 175.10 174.87 1pmr n LEU 60 N 3.70 0.00 -1.74 1.32 -0.00 -1.12 -2.15 117.00 117.01 1pmr n LEU 60 Ca 0.16 0.35 -0.18 0.00 -0.00 0.00 0.00 56.01 56.34 1pmr n LEU 60 Cb 0.45 -0.35 0.06 0.00 -0.00 0.00 0.00 43.42 43.58 1pmr n LEU 60 CO 0.36 -0.19 0.26 -0.62 -0.00 0.00 0.00 177.39 177.20 1pmr n GLU 61 N -1.35 3.16 -1.45 1.47 -0.58 0.35 -4.96 120.64 117.28 1pmr n GLU 61 Ca 0.05 -3.96 -0.53 0.00 -0.42 0.00 0.00 57.16 52.31 1pmr n GLU 61 Cb 0.13 -2.14 -0.05 0.00 -0.57 0.00 0.00 31.44 28.80 1pmr n GLU 61 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1pmr n ASP 62 N -0.80 -0.60 -0.64 1.62 8.00 -0.91 -4.35 116.55 118.86 1pmr n ASP 62 Ca 0.40 1.14 -0.07 0.00 0.71 0.00 0.00 54.79 56.97 1pmr n ASP 62 Cb 0.91 -0.94 -0.00 0.00 -0.02 0.00 0.00 41.12 41.06 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 1.25 0.00 0.00 -1.24 -0.58 -1.26 -2.36 120.64 116.45 1pmr n GLU 63 Ca 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1pmr n GLU 63 Cb 0.17 -0.15 0.00 0.00 -0.57 0.00 0.00 31.44 30.89 1pmr n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pmr n GLY 64 N 0.30 0.94 3.87 0.62 0.00 -1.07 -4.96 105.19 104.91 1pmr n GLY 64 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.25 4.75 0.62 2.61 2.01 -0.99 -4.87 115.64 117.51 1pmr s THR 65 Ca 0.00 0.69 -0.13 0.00 0.31 0.00 0.00 61.69 62.57 1pmr s THR 65 Cb 0.00 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 1pmr s THR 65 CO 0.00 -0.68 1.03 -0.89 -0.69 0.00 0.00 174.62 173.39 1pmr s THR 66 N -2.57 4.35 0.26 -0.82 2.01 -1.26 -2.36 115.64 115.25 1pmr s THR 66 Ca 0.52 0.87 -0.11 0.00 0.31 0.00 0.00 61.69 63.29 1pmr s THR 66 Cb -0.10 -3.64 -0.00 0.00 0.01 0.00 0.00 72.50 68.77 1pmr s THR 66 CO 0.36 -0.89 0.46 0.54 -0.69 0.00 0.00 174.62 174.40 1pmr s VAL 67 N -2.94 0.00 0.00 3.82 0.11 -1.03 -4.78 120.40 115.58 1pmr s VAL 67 Ca 0.58 -1.46 0.00 0.00 -2.93 0.00 0.00 61.98 58.16 1pmr s VAL 67 Cb -0.12 -2.31 0.00 0.00 -1.53 0.00 0.00 36.38 32.42 1pmr s VAL 67 CO 0.48 0.00 0.00 0.41 -3.33 0.00 0.00 175.10 172.66 1pmr n THR 68 N -0.40 0.00 -2.05 5.04 -1.04 -1.26 -1.75 114.28 112.82 1pmr n THR 68 Ca -0.01 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.60 1pmr n THR 68 Cb 0.62 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.16 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 7.46 0.00 8.00 7.64 -1.25 -4.31 113.62 131.17 1pmr n SER 69 Ca 0.00 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.11 1pmr n SER 69 Cb 0.00 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 1pmr n SER 69 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1pmr n ARG 70 N -0.35 0.00 -1.64 1.43 1.74 0.61 -4.16 116.66 114.28 1pmr n ARG 70 Ca 0.52 0.00 -0.54 0.00 -0.77 0.00 0.00 57.85 57.06 1pmr n ARG 70 Cb 0.25 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.63 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 -2.62 5.56 1.13 -1.26 -3.81 117.38 117.58 1pmr n GLN 71 Ca 0.00 0.43 -0.43 0.00 -1.94 0.00 0.00 57.00 55.06 1pmr n GLN 71 Cb 0.00 -2.10 -0.02 0.00 0.11 0.00 0.00 30.24 28.23 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 1.79 4.30 0.38 5.09 2.07 -1.26 -2.09 121.20 131.48 1pmr s ILE 72 Ca 0.90 1.35 0.18 0.00 -1.41 0.00 0.00 60.65 61.67 1pmr s ILE 72 Cb -0.99 -4.55 0.38 0.00 0.13 0.00 0.00 42.46 37.44 1pmr s ILE 72 CO 0.54 -0.86 1.72 -0.07 -1.91 0.00 0.00 174.94 174.36 1pmr h LEU 73 N 10.90 0.46 0.00 8.50 3.38 0.70 -3.44 115.31 135.81 1pmr h LEU 73 Ca -0.22 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1pmr h LEU 73 Cb 1.06 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1pmr h LEU 73 CO 1.10 0.01 0.00 0.61 0.09 0.00 0.00 178.44 180.25 1pmr n GLY 74 N -1.42 -0.28 2.98 0.83 0.00 -1.18 0.13 105.19 106.24 1pmr n GLY 74 Ca 0.29 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 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 0.34 0.00 1.61 1.70 -0.26 -2.13 118.95 118.21 1pmr s ARG 75 Ca 0.00 -0.41 0.00 0.00 -0.47 0.00 0.00 55.73 54.85 1pmr s ARG 75 Cb 0.00 -0.18 0.00 0.00 -0.57 0.00 0.00 34.95 34.20 1pmr s ARG 75 CO 0.00 0.04 0.00 1.28 -1.08 0.00 0.00 175.30 175.54 1pmr n LEU 76 N 2.24 0.00 -4.67 -1.89 4.77 -1.13 -0.93 117.00 115.38 1pmr n LEU 76 Ca -0.18 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.50 1pmr n LEU 76 Cb 0.57 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.58 1pmr n LEU 76 CO 0.23 0.00 -0.24 -0.60 -1.33 0.00 0.00 177.39 175.45 1pmr s ARG 77 N 3.84 2.09 -0.29 3.23 3.52 -0.82 -4.31 118.95 126.21 1pmr s ARG 77 Ca 0.00 -2.31 -0.19 0.00 -0.13 0.00 0.00 55.73 53.09 1pmr s ARG 77 Cb 0.00 -1.23 0.14 0.00 -1.56 0.00 0.00 34.95 32.30 1pmr s ARG 77 CO 0.00 -0.38 1.03 -2.00 -0.81 0.00 0.00 175.30 173.13 1pmr s GLU 78 N -3.82 0.39 0.00 5.12 2.12 -1.13 -2.23 118.70 119.16 1pmr s GLU 78 Ca 0.13 0.59 0.00 0.00 0.36 0.00 0.00 54.97 56.05 1pmr s GLU 78 Cb 0.02 0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.54 1pmr s GLU 78 CO 0.07 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.14 1pmr n GLY 79 N 3.09 1.46 3.62 -1.50 0.00 -1.26 -4.79 105.19 105.82 1pmr n GLY 79 Ca -0.16 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1pmr n GLY 79 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31