#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x75 n GLN 2 N 0.00 1.96 -0.97 0.03 7.27 -1.26 -2.33 117.38 122.09 1x75 n GLN 2 Ca 0.00 0.70 0.00 0.00 0.07 0.00 0.00 57.00 57.77 1x75 n GLN 2 Cb 0.00 -2.35 0.00 0.00 2.41 0.00 0.00 30.24 30.30 1x75 n GLN 2 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1x75 n PHE 3 N 1.95 0.00 -4.11 3.69 3.72 0.31 -4.79 117.46 118.23 1x75 n PHE 3 Ca 0.12 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.19 1x75 n PHE 3 Cb 0.31 -0.62 -0.07 0.00 -0.94 0.00 0.00 39.48 38.15 1x75 n PHE 3 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1x75 s LYS 4 N -0.59 3.10 -0.13 -1.08 1.02 -0.99 0.16 119.74 121.24 1x75 s LYS 4 Ca 0.00 -0.44 -0.07 0.00 0.02 0.00 0.00 55.97 55.48 1x75 s LYS 4 Cb 0.00 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 1x75 s LYS 4 CO 0.00 0.67 0.13 0.14 -0.92 0.00 0.00 175.35 175.37 1x75 s VAL 5 N -1.14 5.42 0.37 3.17 -7.23 -0.04 -1.40 120.40 119.56 1x75 s VAL 5 Ca 0.21 0.18 0.04 0.00 -1.81 0.00 0.00 61.98 60.59 1x75 s VAL 5 Cb -0.12 -3.37 -0.03 0.00 0.56 0.00 0.00 36.38 33.42 1x75 s VAL 5 CO 0.11 0.59 0.13 -0.31 -0.31 0.00 0.00 175.10 175.32 1x75 s TYR 6 N -0.82 1.77 0.35 2.82 1.51 0.30 0.07 117.35 123.36 1x75 s TYR 6 Ca 0.14 -1.27 0.04 0.00 -1.01 0.00 0.00 57.07 54.97 1x75 s TYR 6 Cb -0.12 -1.10 -0.06 0.00 -0.11 0.00 0.00 41.96 40.57 1x75 s TYR 6 CO 0.03 -0.32 0.06 0.99 -1.11 0.00 0.00 175.55 175.20 1x75 s THR 7 N -3.31 1.25 0.29 -0.71 2.01 -1.12 -1.09 115.64 112.96 1x75 s THR 7 Ca 0.28 -2.00 -0.03 0.00 0.31 0.00 0.00 61.69 60.25 1x75 s THR 7 Cb 0.04 -2.76 0.06 0.00 0.01 0.00 0.00 72.50 69.85 1x75 s THR 7 CO 0.16 0.00 0.39 -1.22 -0.69 0.00 0.00 174.62 173.26 1x75 n TYR 8 N -0.77 -3.66 -1.43 4.92 4.02 -1.26 0.26 117.16 119.24 1x75 n TYR 8 Ca -0.04 -0.48 -0.27 0.00 -0.01 0.00 0.00 57.90 57.10 1x75 n TYR 8 Cb 0.67 -0.30 0.11 0.00 -0.02 0.00 0.00 39.34 39.79 1x75 n TYR 8 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1x75 n LYS 9 N -1.79 2.64 -3.65 -0.72 5.02 -0.31 -3.90 118.16 115.45 1x75 n LYS 9 Ca 0.06 -3.36 0.01 0.00 -2.02 0.00 0.00 58.31 53.00 1x75 n LYS 9 Cb 0.19 -2.21 -0.06 0.00 -0.02 0.00 0.00 35.03 32.93 1x75 n LYS 9 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1x75 s ARG 10 N -3.61 0.10 -0.26 1.97 0.52 -1.26 -5.08 118.95 111.33 1x75 s ARG 10 Ca 0.59 0.17 -0.08 0.00 -0.52 0.00 0.00 55.73 55.89 1x75 s ARG 10 Cb 0.48 0.02 -0.03 0.00 0.52 0.00 0.00 34.95 35.94 1x75 s ARG 10 CO 0.02 -0.02 0.09 -1.21 0.02 0.00 0.00 175.30 174.20 1x75 s GLU 11 N 1.02 3.61 0.00 3.54 0.41 -1.26 -5.20 118.70 120.82 1x75 s GLU 11 Ca -0.07 -0.51 0.00 0.00 -0.41 0.00 0.00 54.97 53.98 1x75 s GLU 11 Cb -0.03 -3.37 0.00 0.00 -1.78 0.00 0.00 34.13 28.95 1x75 s GLU 11 CO -0.11 -0.22 0.00 0.54 -0.49 0.00 0.00 175.26 174.98 1x75 n ARG 15 N 4.94 0.00 -3.78 1.61 5.12 -1.26 -5.28 116.66 118.01 1x75 n ARG 15 Ca -0.16 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.63 1x75 n ARG 15 Cb 0.51 -0.29 -0.10 0.00 -1.16 0.00 0.00 32.46 31.42 1x75 n ARG 15 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1x75 s LEU 16 N -2.84 0.92 0.19 0.55 2.96 -1.26 -4.23 118.68 114.97 1x75 s LEU 16 Ca 0.00 0.36 -0.20 0.00 -0.22 0.00 0.00 54.13 54.07 1x75 s LEU 16 Cb 0.00 1.07 0.04 0.00 0.50 0.00 0.00 46.19 47.81 1x75 s LEU 16 CO 0.00 -0.24 0.57 0.72 -1.32 0.00 0.00 176.35 176.08 1x75 s PHE 17 N -0.46 -0.29 -0.18 5.38 -0.71 -0.25 -2.06 117.98 119.39 1x75 s PHE 17 Ca -0.06 -0.02 -0.03 0.00 -1.04 0.00 0.00 56.93 55.79 1x75 s PHE 17 Cb -0.04 0.48 -0.01 0.00 -1.21 0.00 0.00 43.02 42.24 1x75 s PHE 17 CO 0.02 -0.91 -0.07 0.08 -1.34 0.00 0.00 175.22 172.99 1x75 s VAL 18 N -3.83 3.34 -0.01 -2.49 1.01 -0.62 -0.54 120.40 117.26 1x75 s VAL 18 Ca 0.06 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 1x75 s VAL 18 Cb -0.01 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 1x75 s VAL 18 CO -0.06 0.47 1.33 -0.62 0.00 0.00 0.00 175.10 176.21 1x75 s ASP 19 N 0.97 6.92 0.00 3.32 -1.08 -0.49 -2.34 116.67 123.97 1x75 s ASP 19 Ca -0.01 2.02 0.02 0.00 -0.52 0.00 0.00 52.55 54.07 1x75 s ASP 19 Cb -0.15 -2.56 -0.00 0.00 -1.46 0.00 0.00 42.92 38.75 1x75 s ASP 19 CO 0.00 -0.66 0.34 1.33 0.52 0.00 0.00 175.17 176.70 1x75 n VAL 20 N 4.60 0.00 -2.30 1.11 0.24 -0.51 0.11 118.33 121.57 1x75 n VAL 20 Ca 0.12 -0.47 -0.34 0.00 -2.04 0.00 0.00 64.34 61.61 1x75 n VAL 20 Cb 0.44 1.03 -0.01 0.00 -1.47 0.00 0.00 33.84 33.83 1x75 n VAL 20 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1x75 s GLN 21 N -0.72 3.48 0.27 7.34 0.74 -1.22 -4.85 119.66 124.70 1x75 s GLN 21 Ca 0.02 1.45 -0.29 0.00 0.05 0.00 0.00 55.36 56.58 1x75 s GLN 21 Cb 0.02 -2.04 -0.10 0.00 1.10 0.00 0.00 33.01 31.99 1x75 s GLN 21 CO 0.06 -0.71 1.32 0.45 -0.55 0.00 0.00 175.29 175.86 1x75 s SER 22 N -2.04 6.83 0.47 6.67 0.15 -1.26 -4.13 113.70 120.38 1x75 s SER 22 Ca 0.69 2.57 0.31 0.00 0.70 0.00 0.00 55.95 60.22 1x75 s SER 22 Cb -0.20 -2.63 1.23 0.00 -1.71 0.00 0.00 66.02 62.71 1x75 s SER 22 CO 0.27 -0.53 1.90 0.44 1.20 0.00 0.00 173.24 176.51 1x75 h ASP 23 N 4.30 0.00 -0.67 5.45 3.45 -1.98 -2.90 116.42 124.07 1x75 h ASP 23 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 1x75 h ASP 23 Cb 1.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 1x75 h ASP 23 CO 0.71 0.00 0.00 2.30 -1.57 0.00 0.00 179.24 180.68 1x75 n ILE 24 N -2.86 1.57 -4.83 0.35 -5.35 -1.26 -4.81 119.36 102.17 1x75 n ILE 24 Ca 0.01 -1.10 -0.32 0.00 -0.27 0.00 0.00 62.75 61.06 1x75 n ILE 24 Cb 0.30 0.21 -0.17 0.00 -1.74 0.00 0.00 39.64 38.24 1x75 n ILE 24 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1x75 s ILE 25 N -1.62 2.07 -0.18 7.28 -1.09 -1.10 -5.11 121.20 121.44 1x75 s ILE 25 Ca 0.50 -0.99 -0.04 0.00 -2.23 0.00 0.00 60.65 57.89 1x75 s ILE 25 Cb 0.31 -1.81 -0.02 0.00 -1.58 0.00 0.00 42.46 39.35 1x75 s ILE 25 CO 0.27 0.55 -0.02 -0.62 -1.23 0.00 0.00 174.94 173.89 1x75 s ASP 26 N 0.68 4.76 -0.49 3.58 3.68 -1.26 -4.80 116.67 122.82 1x75 s ASP 26 Ca -0.10 -0.19 0.00 0.00 2.13 0.00 0.00 52.55 54.39 1x75 s ASP 26 Cb -0.16 -1.80 0.13 0.00 -1.45 0.00 0.00 42.92 39.64 1x75 s ASP 26 CO 0.01 0.10 0.26 -0.89 0.13 0.00 0.00 175.17 174.78 1x75 s THR 27 N 0.79 3.03 0.00 1.71 2.01 -1.26 -5.02 115.64 116.90 1x75 s THR 27 Ca -0.00 -2.73 0.00 0.00 0.31 0.00 0.00 61.69 59.26 1x75 s THR 27 Cb -0.14 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.29 1x75 s THR 27 CO 0.02 -0.76 0.00 -2.65 -0.69 0.00 0.00 174.62 170.54 1x75 n PRO 28 N 3.78 0.00 0.00 4.92 -0.02 -1.26 -2.09 135.00 140.33 1x75 n PRO 28 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1x75 n PRO 28 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.86 1x75 n PRO 28 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x75 n GLY 29 N -0.54 0.74 2.37 -1.23 0.00 -1.26 -5.05 105.19 100.22 1x75 n GLY 29 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1x75 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x75 n ARG 30 N -0.08 0.35 -3.65 1.61 5.12 -0.89 -0.08 116.66 119.05 1x75 n ARG 30 Ca 0.00 -1.73 -0.02 0.00 -1.93 0.00 0.00 57.85 54.17 1x75 n ARG 30 Cb 0.12 -0.33 -0.06 0.00 -1.16 0.00 0.00 32.46 31.03 1x75 n ARG 30 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1x75 s ARG 31 N -3.91 0.27 -0.02 5.56 6.06 -0.82 -4.64 118.95 121.45 1x75 s ARG 31 Ca 0.39 0.44 -0.29 0.00 -2.50 0.00 0.00 55.73 53.77 1x75 s ARG 31 Cb -0.02 0.07 -0.03 0.00 0.06 0.00 0.00 34.95 35.03 1x75 s ARG 31 CO 0.26 -0.05 0.95 -1.64 -2.50 0.00 0.00 175.30 172.32 1x75 s MET 32 N 1.02 4.53 0.04 5.12 -1.94 -1.26 0.41 119.30 127.21 1x75 s MET 32 Ca -0.06 1.35 0.02 0.00 -1.71 0.00 0.00 55.69 55.30 1x75 s MET 32 Cb -0.03 -3.47 -0.02 0.00 2.01 0.00 0.00 34.83 33.31 1x75 s MET 32 CO -0.13 -0.07 -0.08 0.08 -0.01 0.00 0.00 175.02 174.82 1x75 s VAL 33 N 1.11 0.54 -0.21 -6.03 1.01 0.54 -1.43 120.40 115.93 1x75 s VAL 33 Ca 0.50 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1x75 s VAL 33 Cb -0.20 -0.61 0.04 0.00 0.00 0.00 0.00 36.38 35.61 1x75 s VAL 33 CO 0.26 -0.38 -0.14 -0.63 0.00 0.00 0.00 175.10 174.20 1x75 s ILE 34 N -1.37 1.98 0.87 2.22 1.01 -0.99 0.13 121.20 125.05 1x75 s ILE 34 Ca -0.10 -1.19 -0.11 0.00 0.00 0.00 0.00 60.65 59.25 1x75 s ILE 34 Cb -0.10 -1.96 0.11 0.00 0.01 0.00 0.00 42.46 40.52 1x75 s ILE 34 CO 0.00 0.25 1.10 -2.16 0.00 0.00 0.00 174.94 174.13 1x75 s PRO 35 N 1.26 1.47 -0.15 2.79 0.04 -1.26 -1.59 135.00 137.56 1x75 s PRO 35 Ca -0.01 1.07 -0.01 0.00 0.04 0.00 0.00 61.00 62.08 1x75 s PRO 35 Cb -0.16 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1x75 s PRO 35 CO -0.09 -2.16 -0.10 -0.51 0.04 0.00 0.00 177.00 174.17 1x75 s LEU 36 N -6.23 2.83 0.22 -3.56 1.43 -0.88 -1.34 118.68 111.16 1x75 s LEU 36 Ca 0.63 -0.30 0.08 0.00 -1.03 0.00 0.00 54.13 53.51 1x75 s LEU 36 Cb -0.19 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1x75 s LEU 36 CO 0.57 0.14 0.07 0.00 0.23 0.00 0.00 176.35 177.37 1x75 s ALA 37 N 0.50 3.35 0.22 4.21 0.00 -0.37 -4.77 121.76 124.89 1x75 s ALA 37 Ca -0.07 -1.44 -0.32 0.00 0.00 0.00 0.00 51.96 50.13 1x75 s ALA 37 Cb -0.15 -1.07 -0.12 0.00 0.00 0.00 0.00 23.12 21.78 1x75 s ALA 37 CO 0.04 0.36 1.70 0.45 0.00 0.00 0.00 175.76 178.31 1x75 s SER 38 N -3.42 6.38 0.01 0.00 0.15 -1.26 0.28 113.70 115.84 1x75 s SER 38 Ca 0.31 2.88 -0.25 0.00 0.70 0.00 0.00 55.95 59.58 1x75 s SER 38 Cb -0.08 -2.60 -0.18 0.00 -1.71 0.00 0.00 66.02 61.44 1x75 s SER 38 CO 0.21 -0.96 1.38 0.00 1.20 0.00 0.00 173.24 175.07 1x75 h ALA 39 N 6.55 -0.12 -0.04 5.45 0.00 -1.70 -3.33 119.26 126.05 1x75 h ALA 39 Ca -0.44 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1x75 h ALA 39 Cb 1.20 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1x75 h ALA 39 CO 0.94 -0.41 -0.02 2.89 0.00 0.00 0.00 179.25 182.64 1x75 n ARG 40 N -5.00 -0.02 0.00 0.00 0.00 -1.26 -0.54 116.66 109.85 1x75 n ARG 40 Ca -0.08 0.46 0.00 0.00 -0.00 0.00 0.00 57.85 58.22 1x75 n ARG 40 Cb 0.20 -0.68 0.00 0.00 -0.00 0.00 0.00 32.46 31.98 1x75 n ARG 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1x75 n LEU 41 N -2.64 0.00 -4.37 2.89 7.99 -1.25 -4.44 117.00 115.18 1x75 n LEU 41 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 56.01 55.62 1x75 n LEU 41 Cb 0.01 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.20 1x75 n LEU 41 CO -0.01 0.00 -0.26 -0.76 -1.51 0.00 0.00 177.39 174.86 1x75 s LEU 42 N -1.49 3.92 0.19 2.23 1.02 0.30 -5.14 118.68 119.71 1x75 s LEU 42 Ca 0.00 -0.66 -0.03 0.00 0.02 0.00 0.00 54.13 53.47 1x75 s LEU 42 Cb 0.00 -1.91 0.10 0.00 0.02 0.00 0.00 46.19 44.40 1x75 s LEU 42 CO 0.00 -0.19 1.49 0.77 0.02 0.00 0.00 176.35 178.44 1x75 h SER 43 N 8.27 0.58 -1.80 2.29 4.64 -1.87 -3.51 113.55 122.15 1x75 h SER 43 Ca -0.32 -0.32 -0.67 0.00 -0.47 0.00 0.00 61.79 60.01 1x75 h SER 43 Cb 1.13 -0.17 0.03 0.00 -0.31 0.00 0.00 62.40 63.09 1x75 h SER 43 CO 0.61 1.04 0.81 -1.20 -0.87 0.00 0.00 176.83 177.21 1x75 n SER 47 N -3.93 2.52 0.00 4.97 7.64 -1.26 -5.24 113.62 118.33 1x75 n SER 47 Ca -0.03 1.07 0.12 0.00 1.01 0.00 0.00 58.87 61.03 1x75 n SER 47 Cb 0.63 -1.25 0.70 0.00 -1.01 0.00 0.00 64.21 63.28 1x75 n SER 47 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1x75 n ARG 48 N 4.56 0.93 -0.02 1.43 0.00 -1.26 -2.29 116.66 120.02 1x75 n ARG 48 Ca 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 58.05 1x75 n ARG 48 Cb 0.21 -1.39 -0.12 0.00 -0.00 0.00 0.00 32.46 31.15 1x75 n ARG 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1x75 n GLU 49 N -0.89 0.65 0.09 2.89 1.02 -1.26 -3.55 120.64 119.58 1x75 n GLU 49 Ca 0.18 0.11 0.07 0.00 -0.02 0.00 0.00 57.16 57.49 1x75 n GLU 49 Cb 0.08 -1.69 -0.02 0.00 -0.02 0.00 0.00 31.44 29.80 1x75 n GLU 49 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1x75 h LEU 50 N 0.00 0.00 -6.10 -4.62 5.85 -1.80 -3.37 115.31 105.28 1x75 h LEU 50 Ca -0.26 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 57.88 1x75 h LEU 50 Cb 1.74 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 42.37 1x75 h LEU 50 CO 0.04 0.23 -0.85 -1.22 -0.34 0.00 0.00 178.44 176.30 1x75 n TYR 51 N -2.82 1.63 -1.59 1.25 4.01 -1.05 -4.48 117.16 114.12 1x75 n TYR 51 Ca -0.03 -3.86 -0.40 0.00 -0.16 0.00 0.00 57.90 53.45 1x75 n TYR 51 Cb 0.66 -0.45 0.03 0.00 -0.31 0.00 0.00 39.34 39.27 1x75 n TYR 51 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1x75 n PRO 52 N 1.13 1.09 -3.98 -0.72 -0.04 -1.23 -4.48 135.00 126.77 1x75 n PRO 52 Ca 0.25 0.40 -0.35 0.00 -0.04 0.00 0.00 63.50 63.76 1x75 n PRO 52 Cb 0.47 -2.02 -0.11 0.00 -0.04 0.00 0.00 33.50 31.80 1x75 n PRO 52 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1x75 s VAL 53 N -1.41 4.61 0.26 0.52 1.01 -1.26 -0.82 120.40 123.31 1x75 s VAL 53 Ca 0.68 -0.09 0.11 0.00 0.00 0.00 0.00 61.98 62.68 1x75 s VAL 53 Cb -0.50 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1x75 s VAL 53 CO 0.54 0.43 -0.17 0.68 0.00 0.00 0.00 175.10 176.58 1x75 s VAL 54 N 0.71 2.66 -0.03 2.92 -7.23 0.19 -4.92 120.40 114.72 1x75 s VAL 54 Ca 0.03 -2.26 0.03 0.00 -1.81 0.00 0.00 61.98 57.98 1x75 s VAL 54 Cb -0.13 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1x75 s VAL 54 CO 0.02 -0.36 -0.11 -1.00 -0.31 0.00 0.00 175.10 173.34 1x75 s HIS 55 N -2.36 2.78 -0.18 2.82 3.76 -1.26 -0.33 115.29 120.52 1x75 s HIS 55 Ca 0.29 -0.10 -0.04 0.00 -0.15 0.00 0.00 55.06 55.06 1x75 s HIS 55 Cb -0.06 -1.62 0.09 0.00 1.11 0.00 0.00 32.58 32.10 1x75 s HIS 55 CO 0.15 0.28 0.25 0.42 -0.85 0.00 0.00 174.74 174.99 1x75 s ILE 56 N -0.85 -0.38 0.00 0.60 1.01 0.70 -4.99 121.20 117.30 1x75 s ILE 56 Ca 0.14 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1x75 s ILE 56 Cb -0.11 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1x75 s ILE 56 CO 0.03 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.48 1x75 n GLY 57 N 5.33 0.23 2.02 6.18 0.00 -1.26 -1.90 105.19 115.78 1x75 n GLY 57 Ca -0.05 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 1x75 n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x75 n ASP 58 N -2.48 4.90 -3.92 1.61 2.03 -1.26 -4.80 116.55 112.62 1x75 n ASP 58 Ca 0.00 -2.41 -0.10 0.00 0.52 0.00 0.00 54.79 52.80 1x75 n ASP 58 Cb 0.00 -1.32 -0.09 0.00 -0.72 0.00 0.00 41.12 38.99 1x75 n ASP 58 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1x75 s GLU 59 N 1.10 0.56 -0.05 -0.67 2.02 -0.80 -5.16 118.70 115.70 1x75 s GLU 59 Ca 0.60 -0.70 0.04 0.00 0.02 0.00 0.00 54.97 54.94 1x75 s GLU 59 Cb 0.29 0.22 -0.00 0.00 0.10 0.00 0.00 34.13 34.74 1x75 s GLU 59 CO 0.00 -0.14 -0.18 -1.12 0.02 0.00 0.00 175.26 173.84 1x75 s SER 60 N -1.99 2.23 0.23 -0.19 0.01 -1.26 -0.22 113.70 112.52 1x75 s SER 60 Ca -0.07 -0.37 0.05 0.00 1.31 0.00 0.00 55.95 56.87 1x75 s SER 60 Cb -0.02 -0.64 -0.05 0.00 0.21 0.00 0.00 66.02 65.51 1x75 s SER 60 CO -0.04 0.16 -0.04 0.26 0.41 0.00 0.00 173.24 173.99 1x75 s TRP 61 N 0.05 1.64 -0.23 2.43 0.52 0.56 -2.20 118.94 121.71 1x75 s TRP 61 Ca -0.05 -0.82 -0.07 0.00 0.02 0.00 0.00 56.10 55.18 1x75 s TRP 61 Cb -0.12 -0.93 -0.03 0.00 -1.15 0.00 0.00 33.47 31.24 1x75 s TRP 61 CO 0.02 0.09 0.07 1.03 0.02 0.00 0.00 176.95 178.19 1x75 s ARG 62 N -3.80 3.77 -0.48 4.98 1.81 0.14 -0.63 118.95 124.74 1x75 s ARG 62 Ca 0.27 -0.43 -0.28 0.00 -1.72 0.00 0.00 55.73 53.57 1x75 s ARG 62 Cb 0.04 -3.30 0.00 0.00 -0.45 0.00 0.00 34.95 31.25 1x75 s ARG 62 CO 0.08 -0.03 1.52 -1.64 -0.68 0.00 0.00 175.30 174.55 1x75 s MET 63 N 1.21 3.33 -1.14 3.54 -1.94 -0.00 -1.24 119.30 123.05 1x75 s MET 63 Ca 0.05 0.80 -0.21 0.00 -1.71 0.00 0.00 55.69 54.62 1x75 s MET 63 Cb -0.14 -4.13 -0.06 0.00 2.01 0.00 0.00 34.83 32.51 1x75 s MET 63 CO 0.04 -1.88 1.91 -1.33 -0.01 0.00 0.00 175.02 173.75 1x75 n MET 64 N 8.47 2.02 -0.18 2.03 0.00 -0.45 -4.38 117.12 124.63 1x75 n MET 64 Ca 0.16 -2.53 -0.01 0.00 0.00 0.00 0.00 57.70 55.33 1x75 n MET 64 Cb 0.49 -3.48 0.09 0.00 0.00 0.00 0.00 33.22 30.31 1x75 n MET 64 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1x75 h THR 65 N 5.52 0.71 0.00 2.03 2.02 -1.85 -1.76 112.91 119.59 1x75 h THR 65 Ca 0.34 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.42 1x75 h THR 65 Cb 0.85 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1x75 h THR 65 CO 1.48 0.05 0.00 0.71 0.37 0.00 0.00 175.52 178.13 1x75 h THR 66 N 0.29 0.00 -0.54 3.16 1.35 -1.88 -2.33 112.91 112.97 1x75 h THR 66 Ca 0.28 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 1x75 h THR 66 Cb 0.38 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1x75 h THR 66 CO -0.34 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.40 1x75 n ASP 67 N -2.59 5.06 -4.44 5.36 8.00 -0.66 -5.01 116.55 122.27 1x75 n ASP 67 Ca -0.01 -2.73 -0.38 0.00 0.71 0.00 0.00 54.79 52.38 1x75 n ASP 67 Cb 0.10 -0.64 0.04 0.00 -0.02 0.00 0.00 41.12 40.60 1x75 n ASP 67 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1x75 n MET 68 N 0.69 0.43 -3.60 -1.24 0.00 -0.88 -4.62 117.12 107.89 1x75 n MET 68 Ca 0.25 0.17 -0.05 0.00 -0.00 0.00 0.00 57.70 58.06 1x75 n MET 68 Cb 1.03 -1.63 -0.02 0.00 0.00 0.00 0.00 33.22 32.61 1x75 n MET 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x75 s ALA 69 N -1.77 -1.86 0.10 -5.12 0.00 0.34 -4.97 121.76 108.49 1x75 s ALA 69 Ca 0.67 0.81 -0.16 0.00 0.00 0.00 0.00 51.96 53.28 1x75 s ALA 69 Cb -0.44 0.40 -0.07 0.00 0.00 0.00 0.00 23.12 23.01 1x75 s ALA 69 CO 0.56 -0.82 0.54 0.45 0.00 0.00 0.00 175.76 176.50 1x75 s SER 70 N -2.62 6.92 -0.05 0.00 0.15 -1.26 0.20 113.70 117.04 1x75 s SER 70 Ca 0.09 1.14 0.01 0.00 0.70 0.00 0.00 55.95 57.89 1x75 s SER 70 Cb -0.00 -2.31 0.02 0.00 -1.71 0.00 0.00 66.02 62.01 1x75 s SER 70 CO -0.05 0.19 -0.05 -0.69 1.20 0.00 0.00 173.24 173.84 1x75 s VAL 71 N -1.29 0.61 0.07 4.45 1.01 0.16 -4.89 120.40 120.52 1x75 s VAL 71 Ca 0.33 -0.16 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 1x75 s VAL 71 Cb -0.17 -0.62 -0.09 0.00 0.00 0.00 0.00 36.38 35.50 1x75 s VAL 71 CO 0.19 0.24 1.77 -2.16 0.00 0.00 0.00 175.10 175.14 1x75 s PRO 72 N 0.91 4.16 0.39 2.72 0.04 -1.26 -1.95 135.00 140.01 1x75 s PRO 72 Ca -0.11 2.46 0.19 0.00 0.04 0.00 0.00 61.00 63.58 1x75 s PRO 72 Cb -0.14 -3.73 1.02 0.00 0.04 0.00 0.00 34.50 31.69 1x75 s PRO 72 CO 0.00 -0.82 1.52 -0.39 0.04 0.00 0.00 177.00 177.35 1x75 h VAL 73 N 4.98 0.00 0.00 -0.36 -1.51 -0.75 -0.66 116.25 117.94 1x75 h VAL 73 Ca -0.45 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.01 1x75 h VAL 73 Cb 1.21 0.42 -0.00 0.00 -2.13 0.00 0.00 31.29 30.79 1x75 h VAL 73 CO 0.94 0.00 -0.06 0.77 -1.23 0.00 0.00 177.57 177.99 1x75 h SER 74 N 0.00 0.00 0.81 4.19 4.64 -1.88 -3.05 113.55 118.26 1x75 h SER 74 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1x75 h SER 74 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1x75 h SER 74 CO 0.00 0.06 -1.19 0.52 -0.87 0.00 0.00 176.83 175.34 1x75 n VAL 75 N -3.16 0.50 -1.69 0.95 0.31 -0.26 -4.92 118.33 110.06 1x75 n VAL 75 Ca 0.01 -0.54 -0.42 0.00 -0.01 0.00 0.00 64.34 63.38 1x75 n VAL 75 Cb 0.37 -0.27 -0.03 0.00 -0.91 0.00 0.00 33.84 33.00 1x75 n VAL 75 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1x75 s ILE 76 N -3.39 3.09 0.00 2.52 1.01 -1.15 -1.16 121.20 122.11 1x75 s ILE 76 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.73 1x75 s ILE 76 Cb 0.10 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.49 1x75 s ILE 76 CO 0.81 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.33 1x75 n GLY 77 N 4.97 0.95 3.83 6.18 0.00 0.71 -4.79 105.19 117.04 1x75 n GLY 77 Ca 0.23 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 1x75 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x75 s GLU 78 N 0.27 3.14 -0.07 1.61 8.01 -1.26 -4.65 118.70 125.75 1x75 s GLU 78 Ca 0.00 0.96 -0.27 0.00 0.01 0.00 0.00 54.97 55.67 1x75 s GLU 78 Cb 0.00 -2.02 -0.02 0.00 -4.31 0.00 0.00 34.13 27.78 1x75 s GLU 78 CO 0.00 -0.94 0.89 -2.00 0.01 0.00 0.00 175.26 173.22 1x75 s GLU 79 N -4.87 4.45 -0.18 1.61 2.12 -1.26 -2.79 118.70 117.78 1x75 s GLU 79 Ca 0.58 1.21 0.17 0.00 0.36 0.00 0.00 54.97 57.29 1x75 s GLU 79 Cb -0.14 -3.50 -0.24 0.00 0.26 0.00 0.00 34.13 30.52 1x75 s GLU 79 CO 0.51 -0.13 0.08 0.28 -0.54 0.00 0.00 175.26 175.46 1x75 n VAL 80 N 4.16 1.24 -3.83 3.70 0.31 0.11 -4.97 118.33 119.06 1x75 n VAL 80 Ca 0.04 -0.79 -0.07 0.00 -0.01 0.00 0.00 64.34 63.52 1x75 n VAL 80 Cb 0.50 -0.47 0.01 0.00 -0.91 0.00 0.00 33.84 32.97 1x75 n VAL 80 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x75 s ALA 81 N -2.50 -1.15 -0.11 3.52 0.00 -1.21 -4.99 121.76 115.32 1x75 s ALA 81 Ca -0.09 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 1x75 s ALA 81 Cb 0.06 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.94 1x75 s ALA 81 CO 0.78 -1.02 -0.02 0.34 0.00 0.00 0.00 175.76 175.84 1x75 s ASP 82 N -3.07 2.01 -0.02 0.00 3.68 -1.26 -0.86 116.67 117.15 1x75 s ASP 82 Ca 0.15 -0.28 0.22 0.00 2.13 0.00 0.00 52.55 54.77 1x75 s ASP 82 Cb -0.04 -0.59 0.67 0.00 -1.45 0.00 0.00 42.92 41.50 1x75 s ASP 82 CO 0.08 -0.19 1.56 0.18 0.13 0.00 0.00 175.17 176.93 1x75 n LEU 83 N 5.07 4.09 -0.69 -1.34 4.77 0.43 -4.61 117.00 124.71 1x75 n LEU 83 Ca -0.09 -2.05 0.52 0.00 -0.03 0.00 0.00 56.01 54.36 1x75 n LEU 83 Cb 0.49 -0.51 0.80 0.00 -2.33 0.00 0.00 43.42 41.88 1x75 n LEU 83 CO 0.13 0.97 1.45 -1.20 -1.33 0.00 0.00 177.39 177.40 1x75 n SER 84 N 1.60 0.01 0.00 -1.43 7.64 -1.20 0.16 113.62 120.40 1x75 n SER 84 Ca 0.25 0.98 0.08 0.00 1.01 0.00 0.00 58.87 61.19 1x75 n SER 84 Cb 0.66 -0.49 0.45 0.00 -1.01 0.00 0.00 64.21 63.83 1x75 n SER 84 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x75 n HIS 85 N -3.89 0.00 -0.32 1.43 1.44 -1.26 -2.50 115.22 110.12 1x75 n HIS 85 Ca 0.43 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 56.18 1x75 n HIS 85 Cb 1.96 0.00 0.05 0.00 0.12 0.00 0.00 29.99 32.12 1x75 n HIS 85 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1x75 n ARG 86 N -0.76 2.53 -0.30 -1.40 5.12 0.43 -4.82 116.66 117.44 1x75 n ARG 86 Ca 0.11 -1.84 0.04 0.00 -1.93 0.00 0.00 57.85 54.23 1x75 n ARG 86 Cb 0.05 -1.16 0.11 0.00 -1.16 0.00 0.00 32.46 30.30 1x75 n ARG 86 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 1x75 h GLU 87 N 0.13 0.00 0.00 5.56 4.81 -1.55 -0.13 114.58 123.39 1x75 h GLU 87 Ca 0.00 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1x75 h GLU 87 Cb 0.66 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1x75 h GLU 87 CO 0.00 0.00 -0.03 -0.91 -0.73 0.00 0.00 179.01 177.34 1x75 h ASN 88 N 0.00 -0.10 0.16 1.04 2.35 -1.87 0.53 115.58 117.69 1x75 h ASN 88 Ca 0.41 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 56.19 1x75 h ASN 88 Cb 0.63 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.01 1x75 h ASN 88 CO -0.89 -0.05 -0.28 0.44 -1.65 0.00 0.00 177.43 175.00 1x75 h ASP 89 N -0.06 -0.79 -0.22 5.81 3.45 -1.66 0.59 116.42 123.54 1x75 h ASP 89 Ca 0.01 0.09 0.03 0.00 0.43 0.00 0.00 57.03 57.59 1x75 h ASP 89 Cb 0.08 0.29 -0.03 0.00 -0.56 0.00 0.00 39.33 39.11 1x75 h ASP 89 CO -0.04 -0.38 0.03 0.40 -1.57 0.00 0.00 179.24 177.68 1x75 h ILE 90 N -0.52 0.88 -0.42 0.35 2.04 -0.90 -0.29 117.51 118.65 1x75 h ILE 90 Ca 0.02 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1x75 h ILE 90 Cb 0.53 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1x75 h ILE 90 CO -0.14 0.02 0.18 0.11 0.00 0.00 0.00 178.15 178.33 1x75 h LYS 91 N 0.11 0.62 -1.00 2.37 1.57 0.49 -2.31 116.57 118.42 1x75 h LYS 91 Ca 0.10 -0.10 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 1x75 h LYS 91 Cb 0.11 -0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.22 1x75 h LYS 91 CO -0.14 0.56 0.62 -0.91 -0.57 0.00 0.00 179.45 179.00 1x75 h ASN 92 N 0.54 0.89 -0.48 0.86 -0.26 0.64 -0.38 115.58 117.39 1x75 h ASN 92 Ca 0.14 0.06 0.01 0.00 -0.56 0.00 0.00 56.30 55.95 1x75 h ASN 92 Cb 0.16 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.27 1x75 h ASN 92 CO -0.01 0.45 0.31 0.00 -1.06 0.00 0.00 177.43 177.12 1x75 h ALA 93 N 1.55 0.61 -0.44 -0.83 0.00 -0.53 0.95 119.26 120.57 1x75 h ALA 93 Ca 0.51 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.32 1x75 h ALA 93 Cb 0.54 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1x75 h ALA 93 CO -0.28 0.03 -0.04 0.82 0.00 0.00 0.00 179.25 179.78 1x75 h ILE 94 N 0.62 1.24 -0.31 0.00 2.04 -0.82 -2.94 117.51 117.35 1x75 h ILE 94 Ca 0.18 -1.03 -0.18 0.00 1.00 0.00 0.00 64.86 64.84 1x75 h ILE 94 Cb -0.04 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1x75 h ILE 94 CO -0.06 0.36 -0.49 -1.13 0.00 0.00 0.00 178.15 176.83 1x75 h ASN 95 N 0.69 0.97 -0.28 1.72 -1.24 -0.71 -2.99 115.58 113.73 1x75 h ASN 95 Ca 0.13 -0.52 0.03 0.00 0.71 0.00 0.00 56.30 56.66 1x75 h ASN 95 Cb 0.48 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 1x75 h ASN 95 CO 0.02 1.30 0.19 0.25 -1.29 0.00 0.00 177.43 177.90 1x75 h LEU 96 N 0.67 0.22 0.05 0.34 5.85 -0.65 0.71 115.31 122.50 1x75 h LEU 96 Ca 0.03 -0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.55 1x75 h LEU 96 Cb 1.10 -0.05 0.02 0.00 0.37 0.00 0.00 40.66 42.09 1x75 h LEU 96 CO 0.11 0.15 -0.79 -0.03 -0.34 0.00 0.00 178.44 177.55 1x75 h MET 97 N 0.25 0.45 0.10 1.25 4.05 -1.38 -0.20 114.93 119.45 1x75 h MET 97 Ca 0.12 -0.55 -0.26 0.00 -0.28 0.00 0.00 59.70 58.73 1x75 h MET 97 Cb 0.16 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 1x75 h MET 97 CO -0.02 1.20 -1.32 0.74 0.23 0.00 0.00 176.91 177.74 1x75 h PHE 98 N -0.05 0.38 0.00 1.39 0.04 -1.42 -3.38 116.94 113.91 1x75 h PHE 98 Ca -0.11 -0.28 0.00 0.00 2.80 0.00 0.00 57.97 60.38 1x75 h PHE 98 Cb 1.51 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.65 1x75 h PHE 98 CO 0.15 1.52 -0.84 0.91 -0.60 0.00 0.00 178.31 179.45 1x75 n TRP 99 N -4.00 0.28 -1.39 -0.55 8.01 0.22 -4.96 117.44 115.05 1x75 n TRP 99 Ca -0.25 0.08 -0.13 0.00 -1.31 0.00 0.00 57.50 55.89 1x75 n TRP 99 Cb 0.86 -0.44 -0.06 0.00 -2.01 0.00 0.00 31.31 29.66 1x75 n TRP 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1x75 n GLY 100 N 1.39 1.41 0.00 6.99 0.00 -0.09 -4.97 105.19 109.92 1x75 n GLY 100 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1x75 n GLY 100 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71