#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 6.17 -1.35 -3.46 1.04 -1.22 -4.80 113.70 110.07 1pmr s SER 2 Ca 0.00 0.96 -0.16 0.00 0.48 0.00 0.00 55.95 57.23 1pmr s SER 2 Cb 0.00 -2.20 0.07 0.00 0.10 0.00 0.00 66.02 63.99 1pmr s SER 2 CO 0.00 -0.68 1.91 0.52 0.98 0.00 0.00 173.24 175.97 1pmr n VAL 3 N -2.36 3.80 -2.61 5.02 0.31 -1.26 -4.78 118.33 116.45 1pmr n VAL 3 Ca 0.02 -3.76 -0.41 0.00 -0.01 0.00 0.00 64.34 60.18 1pmr n VAL 3 Cb 0.55 -2.45 -0.03 0.00 -0.91 0.00 0.00 33.84 31.00 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 3.64 6.37 0.24 4.52 1.11 -1.26 -2.71 116.67 128.58 1pmr s ASP 4 Ca 0.50 -1.13 0.07 0.00 0.18 0.00 0.00 52.55 52.17 1pmr s ASP 4 Cb 0.07 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.49 1pmr s ASP 4 CO 0.01 -1.58 0.17 -0.51 1.18 0.00 0.00 175.17 174.44 1pmr s ILE 5 N 4.95 4.35 0.00 0.77 1.10 -1.18 -4.98 121.20 126.21 1pmr s ILE 5 Ca 0.39 -1.41 0.00 0.00 -0.51 0.00 0.00 60.65 59.12 1pmr s ILE 5 Cb -0.04 -3.33 0.00 0.00 0.15 0.00 0.00 42.46 39.24 1pmr s ILE 5 CO 0.00 -0.32 0.00 0.00 -2.11 0.00 0.00 174.94 172.51 1pmr n LEU 6 N -1.04 0.00 -2.58 8.50 -0.00 -1.26 0.77 117.00 121.40 1pmr n LEU 6 Ca -0.08 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.76 1pmr n LEU 6 Cb 0.58 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.01 1pmr n LEU 6 CO 0.43 0.00 0.02 0.52 -0.00 0.00 0.00 177.39 178.36 1pmr n VAL 7 N 0.00 1.63 -0.60 1.47 0.31 -1.14 -4.57 118.33 115.43 1pmr n VAL 7 Ca 0.00 -3.93 -0.05 0.00 -0.01 0.00 0.00 64.34 60.35 1pmr n VAL 7 Cb 0.00 -0.23 0.01 0.00 -0.91 0.00 0.00 33.84 32.71 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 -0.25 1.22 -0.00 5.55 -0.04 -1.26 -3.12 135.00 137.10 1pmr n PRO 8 Ca 0.23 -0.43 0.03 0.00 -0.04 0.00 0.00 63.50 63.28 1pmr n PRO 8 Cb 0.74 -1.17 -0.04 0.00 -0.04 0.00 0.00 33.50 33.00 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 1.17 2.73 -4.45 3.54 8.00 -1.26 -4.92 116.55 121.37 1pmr n ASP 9 Ca 0.08 -0.18 -0.45 0.00 0.71 0.00 0.00 54.79 54.95 1pmr n ASP 9 Cb 0.52 1.17 -0.13 0.00 -0.02 0.00 0.00 41.12 42.67 1pmr n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pmr n LEU 10 N -1.52 0.70 -4.58 0.64 -0.00 -1.25 -4.76 117.00 106.24 1pmr n LEU 10 Ca -0.00 0.24 -0.41 0.00 -0.00 0.00 0.00 56.01 55.83 1pmr n LEU 10 Cb 0.12 -1.00 -0.01 0.00 -0.00 0.00 0.00 43.42 42.53 1pmr n LEU 10 CO 0.11 -0.81 1.91 -2.16 -0.00 0.00 0.00 177.39 176.44 1pmr s PRO 11 N 8.10 3.81 -1.02 1.47 0.04 -1.26 -4.32 135.00 141.82 1pmr s PRO 11 Ca 1.27 -1.88 -0.07 0.00 0.04 0.00 0.00 61.00 60.36 1pmr s PRO 11 Cb -1.18 -5.50 -0.05 0.00 0.04 0.00 0.00 34.50 27.80 1pmr s PRO 11 CO 0.51 -2.46 0.87 -1.91 0.04 0.00 0.00 177.00 174.05 1pmr n GLU 12 N 8.40 -1.97 0.00 4.56 2.13 -1.26 -5.02 120.64 127.48 1pmr n GLU 12 Ca 0.48 0.89 0.00 0.00 0.66 0.00 0.00 57.16 59.19 1pmr n GLU 12 Cb 0.46 -5.53 0.00 0.00 0.27 0.00 0.00 31.44 26.64 1pmr n GLU 12 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1pmr n SER 13 N -2.95 0.00 0.07 4.31 7.64 -1.26 -4.97 113.62 116.46 1pmr n SER 13 Ca -0.07 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.77 1pmr n SER 13 Cb 0.60 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.72 1pmr n SER 13 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1pmr h VAL 14 N 0.00 1.32 0.00 0.44 2.07 -1.92 -3.46 116.25 114.69 1pmr h VAL 14 Ca 0.00 -2.94 0.00 0.00 0.82 0.00 0.00 66.70 64.58 1pmr h VAL 14 Cb 0.00 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1pmr h VAL 14 CO 0.00 0.75 0.00 0.00 0.02 0.00 0.00 177.57 178.34 1pmr n ALA 15 N -2.34 0.00 -3.00 1.67 0.00 -1.26 -5.14 120.51 110.44 1pmr n ALA 15 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1pmr n ALA 15 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.34 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 0.00 0.00 0.00 0.00 5.68 -1.26 -4.70 116.55 116.27 1pmr n ASP 16 Ca 0.00 -0.44 0.00 0.00 -0.50 0.00 0.00 54.79 53.85 1pmr n ASP 16 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1pmr n ASP 16 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pmr n ALA 17 N -3.00 0.00 -3.64 2.12 0.00 -0.66 -4.39 120.51 110.94 1pmr n ALA 17 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 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 -0.69 0.00 -0.28 0.00 2.01 0.03 -2.93 115.64 113.79 1pmr s THR 18 Ca 0.00 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 1pmr s THR 18 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 1pmr s THR 18 CO 0.00 0.00 1.76 -0.69 -0.69 0.00 0.00 174.62 175.00 1pmr s VAL 19 N 1.59 3.52 -0.08 3.82 1.01 -0.77 0.06 120.40 129.55 1pmr s VAL 19 Ca -0.10 0.55 -0.12 0.00 0.00 0.00 0.00 61.98 62.32 1pmr s VAL 19 Cb -0.05 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.62 1pmr s VAL 19 CO -0.19 -0.35 0.43 0.00 0.00 0.00 0.00 175.10 174.99 1pmr h ALA 20 N 12.16 -0.17 -1.29 5.51 0.00 -1.19 0.31 119.26 134.59 1pmr h ALA 20 Ca -0.34 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.57 1pmr h ALA 20 Cb 1.17 0.07 -0.27 0.00 0.00 0.00 0.00 17.79 18.76 1pmr h ALA 20 CO 1.02 -0.18 0.38 0.99 0.00 0.00 0.00 179.25 181.45 1pmr s THR 21 N -2.45 -0.15 0.00 0.00 2.01 -1.18 -4.20 115.64 109.67 1pmr s THR 21 Ca -0.07 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.93 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 0.25 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 174.97 1pmr n TRP 22 N 4.03 -2.55 -2.69 4.92 7.02 -1.26 -2.72 117.44 124.19 1pmr n TRP 22 Ca -0.15 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.31 1pmr n TRP 22 Cb 0.56 0.00 0.08 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 -2.27 -0.56 -4.52 -5.99 8.25 -1.26 -4.84 115.22 104.04 1pmr n HIS 23 Ca 0.00 -1.77 -0.21 0.00 -0.26 0.00 0.00 57.72 55.48 1pmr n HIS 23 Cb 0.00 0.73 -0.15 0.00 1.12 0.00 0.00 29.99 31.68 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 -1.45 1.01 0.81 -0.41 -0.14 -1.26 -4.82 119.74 113.49 1pmr s LYS 24 Ca 0.17 -0.41 -0.05 0.00 -1.36 0.00 0.00 55.97 54.32 1pmr s LYS 24 Cb 0.37 -0.96 0.17 0.00 -1.68 0.00 0.00 37.83 35.73 1pmr s LYS 24 CO -0.09 0.22 1.11 0.21 -0.76 0.00 0.00 175.35 176.05 1pmr s LYS 25 N -0.16 1.22 -0.42 1.68 2.47 -1.26 -4.95 119.74 118.32 1pmr s LYS 25 Ca 0.02 -1.02 -0.27 0.00 -1.56 0.00 0.00 55.97 53.14 1pmr s LYS 25 Cb -0.06 -2.18 -0.03 0.00 -1.46 0.00 0.00 37.83 34.10 1pmr s LYS 25 CO -0.00 -1.84 1.98 -1.25 0.16 0.00 0.00 175.35 174.40 1pmr s PRO 26 N -5.40 2.88 -1.21 4.03 0.04 -1.26 -3.12 135.00 130.96 1pmr s PRO 26 Ca 0.70 1.27 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 1pmr s PRO 26 Cb -0.04 -4.35 0.00 0.00 0.04 0.00 0.00 34.50 30.16 1pmr s PRO 26 CO 0.47 -2.40 1.02 0.41 0.04 0.00 0.00 177.00 176.55 1pmr n GLY 27 N 5.65 -0.38 0.00 0.56 0.00 -0.10 -4.78 105.19 106.14 1pmr n GLY 27 Ca 0.26 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.06 0.00 0.00 1.61 9.92 -1.18 -4.57 116.55 119.27 1pmr n ASP 28 Ca -0.23 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.03 1pmr n ASP 28 Cb 0.65 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.13 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 -3.32 2.24 0.00 -1.22 -4.52 120.51 110.70 1pmr n ALA 29 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 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 0.28 0.00 0.00 0.00 177.50 177.78 1pmr n VAL 30 N 0.00 0.00 0.00 0.00 0.31 -0.33 -4.92 118.33 113.39 1pmr n VAL 30 Ca 0.00 -1.88 0.00 0.00 -0.01 0.00 0.00 64.34 62.45 1pmr n VAL 30 Cb 0.00 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 1pmr n VAL 30 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1pmr n VAL 31 N -2.01 0.00 -2.25 2.52 0.24 -1.26 -2.61 118.33 112.96 1pmr n VAL 31 Ca 0.09 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.98 1pmr n VAL 31 Cb 0.57 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 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 3.99 0.00 7.34 1.74 -1.25 -1.44 116.66 127.04 1pmr n ARG 32 Ca 0.00 -3.55 0.00 0.00 -0.77 0.00 0.00 57.85 53.53 1pmr n ARG 32 Cb 0.00 -2.81 0.00 0.00 -1.02 0.00 0.00 32.46 28.63 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 3.01 0.00 -2.43 0.55 8.00 -1.25 -4.96 116.55 119.47 1pmr n ASP 33 Ca 0.47 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.93 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 1.30 -0.85 -1.24 0.00 -1.07 -4.74 120.64 114.04 1pmr n GLU 34 Ca 0.00 -0.51 -0.36 0.00 0.00 0.00 0.00 57.16 56.29 1pmr n GLU 34 Cb 0.00 0.04 0.10 0.00 0.00 0.00 0.00 31.44 31.58 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 -0.78 0.00 -2.94 6.31 3.14 -1.26 -4.05 118.33 118.74 1pmr n VAL 35 Ca 0.00 -0.16 -0.13 0.00 -2.96 0.00 0.00 64.34 61.09 1pmr n VAL 35 Cb 0.09 -0.29 0.03 0.00 -1.06 0.00 0.00 33.84 32.62 1pmr n VAL 35 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pmr n LEU 36 N 1.03 -0.67 -3.86 6.55 -0.00 -1.11 -2.66 117.00 116.28 1pmr n LEU 36 Ca -0.01 -4.31 -0.36 0.00 -0.00 0.00 0.00 56.01 51.33 1pmr n LEU 36 Cb 0.68 0.78 0.03 0.00 -0.00 0.00 0.00 43.42 44.91 1pmr n LEU 36 CO 0.48 2.15 -1.70 0.55 -0.00 0.00 0.00 177.39 178.86 1pmr n VAL 37 N 0.26 0.00 -4.58 1.47 3.14 -1.25 -4.00 118.33 113.38 1pmr n VAL 37 Ca 0.15 -0.23 -0.26 0.00 -2.96 0.00 0.00 64.34 61.03 1pmr n VAL 37 Cb 0.69 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.34 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 -1.93 1.40 0.15 1.45 0.41 -1.10 -2.91 118.70 116.16 1pmr s GLU 38 Ca 0.37 -1.06 0.02 0.00 -0.41 0.00 0.00 54.97 53.88 1pmr s GLU 38 Cb -0.03 -1.60 -0.01 0.00 -1.78 0.00 0.00 34.13 30.72 1pmr s GLU 38 CO 0.72 0.40 0.08 1.51 -0.49 0.00 0.00 175.26 177.47 1pmr n ILE 39 N 1.56 0.00 -3.40 -1.63 0.13 -0.99 -0.71 119.36 114.32 1pmr n ILE 39 Ca -0.18 -0.93 -0.18 0.00 -1.10 0.00 0.00 62.75 60.36 1pmr n ILE 39 Cb 0.53 0.39 -0.09 0.00 -0.84 0.00 0.00 39.64 39.63 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 -2.57 0.45 -0.17 9.51 2.02 0.11 -4.14 118.70 123.90 1pmr s GLU 40 Ca 0.11 -0.49 -0.22 0.00 0.02 0.00 0.00 54.97 54.39 1pmr s GLU 40 Cb 0.01 -0.74 -0.22 0.00 0.10 0.00 0.00 34.13 33.27 1pmr s GLU 40 CO 0.08 -1.10 0.40 1.79 0.02 0.00 0.00 175.26 176.45 1pmr h THR 41 N 5.76 1.13 0.00 3.63 1.35 -1.72 0.12 112.91 123.18 1pmr h THR 41 Ca -0.06 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 63.55 1pmr h THR 41 Cb 1.06 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 70.06 1pmr h THR 41 CO 0.29 0.46 0.00 -0.67 -0.25 0.00 0.00 175.52 175.34 1pmr n ASP 42 N -4.37 0.00 0.00 5.36 2.03 -1.26 -4.02 116.55 114.28 1pmr n ASP 42 Ca -0.26 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.05 1pmr n ASP 42 Cb 0.68 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.08 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 -4.03 -0.67 4.81 -1.26 -4.93 118.16 112.08 1pmr n LYS 43 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 1pmr n LYS 43 Cb 0.00 -0.22 -0.04 0.00 0.02 0.00 0.00 35.03 34.78 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 -1.32 4.81 -0.19 3.15 1.01 -1.26 -5.10 120.40 121.51 1pmr s VAL 44 Ca 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1pmr s VAL 44 Cb 0.00 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 32.95 1pmr s VAL 44 CO 0.00 -0.10 -0.09 -0.69 0.00 0.00 0.00 175.10 174.21 1pmr s VAL 45 N -1.75 1.53 0.61 2.92 1.01 -1.26 -2.82 120.40 120.64 1pmr s VAL 45 Ca 0.32 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 1pmr s VAL 45 Cb -0.10 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1pmr s VAL 45 CO 0.25 0.17 1.03 -0.76 0.00 0.00 0.00 175.10 175.79 1pmr s LEU 46 N 1.45 3.27 0.00 3.92 1.43 -1.26 -4.78 118.68 122.71 1pmr s LEU 46 Ca -0.01 1.45 0.01 0.00 -1.03 0.00 0.00 54.13 54.55 1pmr s LEU 46 Cb -0.16 -4.48 -0.00 0.00 0.03 0.00 0.00 46.19 41.58 1pmr s LEU 46 CO -0.08 -0.87 0.02 -1.84 0.23 0.00 0.00 176.35 173.81 1pmr n GLU 47 N -2.63 0.85 -3.13 1.70 0.00 -1.26 -2.35 120.64 113.82 1pmr n GLU 47 Ca 0.06 -3.28 -0.21 0.00 0.00 0.00 0.00 57.16 53.73 1pmr n GLU 47 Cb 0.54 1.04 -0.05 0.00 0.00 0.00 0.00 31.44 32.97 1pmr n GLU 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1pmr n VAL 48 N -1.08 -0.52 -2.59 3.84 0.31 -1.15 -4.79 118.33 112.35 1pmr n VAL 48 Ca -0.16 -3.73 -0.42 0.00 -0.01 0.00 0.00 64.34 60.01 1pmr n VAL 48 Cb 0.57 -1.20 -0.02 0.00 -0.91 0.00 0.00 33.84 32.27 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 -1.10 3.52 0.00 5.55 0.04 -1.16 -2.74 135.00 139.11 1pmr s PRO 49 Ca 0.35 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1pmr s PRO 49 Cb 0.21 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.74 1pmr s PRO 49 CO -0.12 -1.65 0.00 0.00 0.04 0.00 0.00 177.00 175.27 1pmr n ALA 50 N 8.36 0.00 -1.76 8.56 0.00 -1.09 -4.86 120.51 129.72 1pmr n ALA 50 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1pmr n ALA 50 Cb 0.49 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 -0.52 0.00 0.00 0.00 3.41 -1.26 -2.59 113.62 112.66 1pmr n SER 51 Ca 0.00 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.99 1pmr n SER 51 Cb 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 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 0.00 0.00 -0.06 7.33 0.00 -0.52 -3.79 120.51 123.47 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 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1pmr n ALA 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1pmr n ASP 53 N 0.00 0.00 -1.37 0.00 2.03 -1.07 -4.78 116.55 111.36 1pmr n ASP 53 Ca 0.00 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 1pmr n ASP 53 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1pmr n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pmr n GLY 54 N 0.00 -0.09 3.51 0.27 0.00 -1.26 -1.19 105.19 106.43 1pmr n GLY 54 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1pmr n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pmr s ILE 55 N -1.27 4.13 -0.42 -0.61 1.01 -1.26 -3.54 121.20 119.24 1pmr s ILE 55 Ca 0.00 -0.60 -0.43 0.00 0.00 0.00 0.00 60.65 59.63 1pmr s ILE 55 Cb 0.00 -4.90 -0.17 0.00 0.01 0.00 0.00 42.46 37.40 1pmr s ILE 55 CO 0.00 -1.74 1.87 -0.11 0.00 0.00 0.00 174.94 174.96 1pmr n LEU 56 N 8.26 1.55 0.00 2.97 7.94 -1.26 -1.88 117.00 134.58 1pmr n LEU 56 Ca 0.17 0.92 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 1pmr n LEU 56 Cb 0.49 -1.01 0.00 0.00 0.53 0.00 0.00 43.42 43.43 1pmr n LEU 56 CO 0.63 -0.69 -0.20 -0.67 -1.11 0.00 0.00 177.39 175.36 1pmr n ASP 57 N 6.12 1.15 -3.47 1.96 -0.08 -1.05 -0.92 116.55 120.26 1pmr n ASP 57 Ca 0.38 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.39 1pmr n ASP 57 Cb 0.04 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.40 1pmr n ASP 57 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pmr n ALA 58 N -2.11 3.05 -3.08 -1.67 0.00 0.33 -5.01 120.51 112.01 1pmr n ALA 58 Ca 0.00 -3.71 -0.44 0.00 0.00 0.00 0.00 53.44 49.29 1pmr n ALA 58 Cb 0.20 -0.85 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.88 5.34 0.30 0.00 1.01 -1.25 0.12 120.40 125.04 1pmr s VAL 59 Ca 0.32 -2.78 0.17 0.00 0.00 0.00 0.00 61.98 59.69 1pmr s VAL 59 Cb 0.06 -4.79 0.13 0.00 0.00 0.00 0.00 36.38 31.78 1pmr s VAL 59 CO -0.15 -1.45 1.81 0.17 0.00 0.00 0.00 175.10 175.48 1pmr h LEU 60 N 8.74 0.00 -4.63 3.92 8.10 -1.87 -2.97 115.31 126.60 1pmr h LEU 60 Ca 0.25 0.00 -0.69 0.00 0.11 0.00 0.00 57.88 57.55 1pmr h LEU 60 Cb 0.89 0.00 -0.32 0.00 -0.44 0.00 0.00 40.66 40.79 1pmr h LEU 60 CO 1.14 0.36 0.43 -0.62 -4.11 0.00 0.00 178.44 175.64 1pmr n GLU 61 N -3.81 2.98 -1.35 0.17 1.02 -0.20 -5.01 120.64 114.45 1pmr n GLU 61 Ca -0.01 -3.79 -0.47 0.00 -0.02 0.00 0.00 57.16 52.87 1pmr n GLU 61 Cb 0.43 -2.27 -0.03 0.00 -0.02 0.00 0.00 31.44 29.55 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 -0.59 -1.11 -3.97 1.62 9.92 -1.13 -4.53 116.55 116.76 1pmr n ASP 62 Ca 0.51 1.08 -0.47 0.00 -0.53 0.00 0.00 54.79 55.38 1pmr n ASP 62 Cb 0.46 -0.91 -0.05 0.00 -0.64 0.00 0.00 41.12 39.99 1pmr n ASP 62 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1pmr n GLU 63 N 0.99 0.00 0.00 -1.24 0.28 -1.26 -2.43 120.64 116.98 1pmr n GLU 63 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 1pmr n GLU 63 Cb 0.23 -1.09 0.00 0.00 1.43 0.00 0.00 31.44 32.01 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 1.60 0.60 3.94 -1.84 0.00 0.10 -4.94 105.19 104.65 1pmr n GLY 64 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 5.15 0.82 2.61 2.01 -1.02 -4.87 115.64 118.35 1pmr s THR 65 Ca 0.00 -0.49 -0.11 0.00 0.31 0.00 0.00 61.69 61.40 1pmr s THR 65 Cb 0.00 -3.82 0.09 0.00 0.01 0.00 0.00 72.50 68.77 1pmr s THR 65 CO 0.00 -0.42 1.09 -0.89 -0.69 0.00 0.00 174.62 173.71 1pmr s THR 66 N -2.14 3.04 0.30 -0.82 2.01 -1.26 -1.84 115.64 114.92 1pmr s THR 66 Ca 0.39 0.34 -0.08 0.00 0.31 0.00 0.00 61.69 62.65 1pmr s THR 66 Cb -0.10 -2.82 0.00 0.00 0.01 0.00 0.00 72.50 69.60 1pmr s THR 66 CO 0.33 -0.44 0.49 0.54 -0.69 0.00 0.00 174.62 174.85 1pmr s VAL 67 N -2.91 0.00 0.00 3.82 0.11 -1.15 -4.69 120.40 115.58 1pmr s VAL 67 Ca 0.62 -1.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 1pmr s VAL 67 Cb -0.18 -2.47 0.00 0.00 -1.53 0.00 0.00 36.38 32.20 1pmr s VAL 67 CO 0.56 0.00 0.00 1.07 -3.33 0.00 0.00 175.10 173.40 1pmr n THR 68 N -0.47 0.00 -1.69 5.04 5.66 -1.26 -1.65 114.28 119.91 1pmr n THR 68 Ca -0.01 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.66 1pmr n THR 68 Cb 0.62 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.36 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 7.22 0.00 1.09 3.41 -1.23 -3.91 113.62 120.19 1pmr n SER 69 Ca 0.00 -3.11 0.00 0.00 -0.26 0.00 0.00 58.87 55.50 1pmr n SER 69 Cb 0.00 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 62.64 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 1.45 0.00 -1.52 4.33 1.74 -1.18 -4.22 116.66 117.26 1pmr n ARG 70 Ca 0.56 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 57.23 1pmr n ARG 70 Cb 0.42 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.80 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 0.93 -1.54 5.56 6.02 -1.25 -4.23 117.38 122.87 1pmr n GLN 71 Ca 0.00 0.11 -0.47 0.00 -0.01 0.00 0.00 57.00 56.62 1pmr n GLN 71 Cb 0.00 -2.85 -0.05 0.00 1.02 0.00 0.00 30.24 28.36 1pmr n GLN 71 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 1pmr n ILE 72 N 7.73 0.30 -0.01 5.09 3.06 -1.26 -2.87 119.36 131.40 1pmr n ILE 72 Ca 0.43 -0.31 0.21 0.00 -2.50 0.00 0.00 62.75 60.58 1pmr n ILE 72 Cb 0.37 -2.03 0.70 0.00 0.54 0.00 0.00 39.64 39.22 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 12.95 0.00 0.00 9.51 5.85 0.12 -3.38 115.31 140.35 1pmr h LEU 73 Ca -0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1pmr h LEU 73 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1pmr h LEU 73 CO 0.99 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 179.70 1pmr n GLY 74 N -1.65 4.33 3.87 3.75 0.00 -1.19 -1.03 105.19 113.27 1pmr n GLY 74 Ca 0.10 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.28 3.76 0.00 1.61 1.70 0.12 -3.13 118.95 119.73 1pmr s ARG 75 Ca 0.00 0.18 0.00 0.00 -0.47 0.00 0.00 55.73 55.44 1pmr s ARG 75 Cb 0.00 -2.98 0.00 0.00 -0.57 0.00 0.00 34.95 31.40 1pmr s ARG 75 CO 0.00 0.55 0.00 1.28 -1.08 0.00 0.00 175.30 176.05 1pmr n LEU 76 N 0.85 0.00 -4.53 -1.89 7.99 -1.10 -0.52 117.00 117.80 1pmr n LEU 76 Ca -0.07 0.00 -0.25 0.00 -0.01 0.00 0.00 56.01 55.68 1pmr n LEU 76 Cb 0.52 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.74 1pmr n LEU 76 CO 0.43 0.00 -0.43 -0.60 -1.51 0.00 0.00 177.39 175.27 1pmr s ARG 77 N 0.59 1.90 -0.30 3.23 3.52 -0.79 -2.52 118.95 124.59 1pmr s ARG 77 Ca 0.00 -1.50 -0.23 0.00 -0.13 0.00 0.00 55.73 53.86 1pmr s ARG 77 Cb 0.00 -1.98 0.19 0.00 -1.56 0.00 0.00 34.95 31.60 1pmr s ARG 77 CO 0.00 0.38 1.41 -2.00 -0.81 0.00 0.00 175.30 174.28 1pmr s GLU 78 N -3.21 0.06 0.00 5.12 2.12 -1.26 -3.42 118.70 118.10 1pmr s GLU 78 Ca 0.27 0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.67 1pmr s GLU 78 Cb -0.07 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.35 1pmr s GLU 78 CO 0.15 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.27 1pmr n GLY 79 N 1.85 0.74 0.00 -1.50 0.00 -1.26 -4.97 105.19 100.05 1pmr n GLY 79 Ca -0.11 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1pmr n GLY 79 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48