#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kmz s ARG 4 N 0.00 1.09 0.04 0.00 1.70 -0.84 -4.96 118.95 115.98 1kmz s ARG 4 Ca 0.00 -0.38 -0.30 0.00 -0.47 0.00 0.00 55.73 54.57 1kmz s ARG 4 Cb 0.00 -1.01 -0.08 0.00 -0.57 0.00 0.00 34.95 33.29 1kmz s ARG 4 CO 0.00 0.17 1.64 0.42 -1.08 0.00 0.00 175.30 176.45 1kmz s ILE 5 N 0.06 3.18 -0.14 4.99 1.01 -1.26 -0.68 121.20 128.36 1kmz s ILE 5 Ca -0.01 0.56 0.02 0.00 0.00 0.00 0.00 60.65 61.22 1kmz s ILE 5 Cb -0.08 -3.36 -0.10 0.00 0.01 0.00 0.00 42.46 38.93 1kmz s ILE 5 CO 0.01 -0.01 -0.11 -0.24 0.00 0.00 0.00 174.94 174.59 1kmz n SER 6 N 5.86 2.75 -3.90 3.58 2.88 0.74 -4.84 113.62 120.69 1kmz n SER 6 Ca 0.16 -0.07 -0.11 0.00 -1.33 0.00 0.00 58.87 57.52 1kmz n SER 6 Cb 0.41 -0.10 -0.12 0.00 -0.75 0.00 0.00 64.21 63.66 1kmz n SER 6 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1kmz s LEU 7 N -5.73 1.88 -0.17 2.46 1.43 -1.15 -1.50 118.68 115.90 1kmz s LEU 7 Ca -0.18 -0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 52.68 1kmz s LEU 7 Cb 0.05 0.30 -0.03 0.00 0.03 0.00 0.00 46.19 46.54 1kmz s LEU 7 CO 0.36 -0.22 -0.01 -0.36 0.23 0.00 0.00 176.35 176.35 1kmz s PHE 8 N -0.90 3.08 0.01 0.29 0.08 -0.33 -0.54 117.98 119.67 1kmz s PHE 8 Ca -0.10 -0.23 0.07 0.00 0.12 0.00 0.00 56.93 56.79 1kmz s PHE 8 Cb -0.06 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.37 1kmz s PHE 8 CO 0.00 -0.01 -0.22 0.00 -0.10 0.00 0.00 175.22 174.89 1kmz s ALA 9 N 0.43 1.83 0.03 5.36 0.00 0.08 -0.23 121.76 129.26 1kmz s ALA 9 Ca -0.02 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 51.01 1kmz s ALA 9 Cb -0.14 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 1kmz s ALA 9 CO 0.02 0.43 -0.23 0.14 0.00 0.00 0.00 175.76 176.12 1kmz s VAL 10 N -0.65 2.38 -0.22 0.00 -7.23 0.78 -0.64 120.40 114.82 1kmz s VAL 10 Ca 0.08 -1.27 -0.16 0.00 -1.81 0.00 0.00 61.98 58.82 1kmz s VAL 10 Cb -0.09 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 1kmz s VAL 10 CO 0.00 0.39 0.41 -0.69 -0.31 0.00 0.00 175.10 174.90 1kmz s VAL 11 N -0.82 5.18 0.05 1.32 1.01 -0.73 -1.30 120.40 125.10 1kmz s VAL 11 Ca 0.12 0.71 0.09 0.00 0.00 0.00 0.00 61.98 62.90 1kmz s VAL 11 Cb -0.10 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1kmz s VAL 11 CO 0.03 0.22 -0.26 0.68 0.00 0.00 0.00 175.10 175.77 1kmz s VAL 12 N 1.55 2.09 0.15 2.92 -7.23 0.09 -4.94 120.40 115.03 1kmz s VAL 12 Ca 0.19 -1.39 -0.03 0.00 -1.81 0.00 0.00 61.98 58.93 1kmz s VAL 12 Cb -0.15 -1.80 -0.16 0.00 0.56 0.00 0.00 36.38 34.84 1kmz s VAL 12 CO 0.08 0.33 1.35 -0.33 -0.31 0.00 0.00 175.10 176.22 1kmz h GLU 13 N 4.74 0.39 -3.24 4.82 4.39 -1.96 -2.24 114.58 121.49 1kmz h GLU 13 Ca -0.46 -0.39 -0.48 0.00 0.34 0.00 0.00 59.36 58.37 1kmz h GLU 13 Cb 1.15 0.10 -0.41 0.00 -0.10 0.00 0.00 28.75 29.49 1kmz h GLU 13 CO 0.43 1.05 -0.75 0.34 -1.16 0.00 0.00 179.01 178.92 1kmz s ASP 14 N -7.03 2.51 0.14 1.42 3.68 -1.26 -4.75 116.67 111.38 1kmz s ASP 14 Ca -0.06 -0.67 -0.18 0.00 2.13 0.00 0.00 52.55 53.77 1kmz s ASP 14 Cb 0.09 -0.37 0.02 0.00 -1.45 0.00 0.00 42.92 41.22 1kmz s ASP 14 CO 0.86 -0.33 1.71 -0.03 0.13 0.00 0.00 175.17 177.51 1kmz h MET 15 N 8.36 0.08 -0.76 4.34 1.85 -1.87 -2.09 114.93 124.84 1kmz h MET 15 Ca -0.15 -0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 58.89 1kmz h MET 15 Cb 1.14 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 33.12 1kmz h MET 15 CO 0.30 0.05 0.33 0.00 -0.40 0.00 0.00 176.91 177.20 1kmz h ALA 16 N 1.24 0.98 -0.48 0.39 0.00 -1.90 -1.16 119.26 118.34 1kmz h ALA 16 Ca 0.13 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1kmz h ALA 16 Cb 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1kmz h ALA 16 CO -0.22 0.58 0.16 0.87 0.00 0.00 0.00 179.25 180.64 1kmz h LYS 17 N 1.08 0.73 -0.16 0.00 1.57 -1.92 -1.69 116.57 116.18 1kmz h LYS 17 Ca 0.26 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1kmz h LYS 17 Cb 0.17 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1kmz h LYS 17 CO -0.03 0.69 0.06 1.03 -0.57 0.00 0.00 179.45 180.63 1kmz h SER 18 N 0.63 0.23 -0.45 0.86 0.87 -1.00 -2.95 113.55 111.74 1kmz h SER 18 Ca 0.15 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 1kmz h SER 18 Cb 0.25 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1kmz h SER 18 CO -0.01 0.35 0.18 -0.07 -0.53 0.00 0.00 176.83 176.75 1kmz h LEU 19 N 0.09 0.68 -0.46 2.23 3.38 -1.14 -2.52 115.31 117.57 1kmz h LEU 19 Ca 0.05 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1kmz h LEU 19 Cb 0.20 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1kmz h LEU 19 CO -0.00 0.63 0.15 -0.08 0.09 0.00 0.00 178.44 179.23 1kmz h GLU 20 N 0.73 0.30 0.17 1.13 4.81 -1.25 -0.29 114.58 120.19 1kmz h GLU 20 Ca 0.17 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1kmz h GLU 20 Cb 0.19 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1kmz h GLU 20 CO -0.01 0.20 -0.12 0.35 -0.73 0.00 0.00 179.01 178.70 1kmz h PHE 21 N 0.31 -0.31 0.00 0.92 3.57 -1.31 -2.99 116.94 117.12 1kmz h PHE 21 Ca 0.22 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.63 1kmz h PHE 21 Cb 0.23 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1kmz h PHE 21 CO -0.17 -0.19 -0.40 1.88 -2.23 0.00 0.00 178.31 177.20 1kmz h TYR 22 N -0.29 0.00 -0.75 0.41 0.05 -1.10 -2.03 116.97 113.26 1kmz h TYR 22 Ca -0.01 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.81 1kmz h TYR 22 Cb 0.26 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.95 1kmz h TYR 22 CO -0.10 0.40 0.49 0.00 -1.05 0.00 0.00 178.16 177.91 1kmz h ARG 23 N 0.00 0.84 0.00 4.88 3.08 -1.05 -1.64 114.38 120.49 1kmz h ARG 23 Ca -0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1kmz h ARG 23 Cb 0.80 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 1kmz h ARG 23 CO 0.05 0.56 -0.07 0.87 -1.07 0.00 0.00 179.97 180.32 1kmz h LYS 24 N 0.87 0.00 -0.61 0.04 1.57 -1.22 -1.79 116.57 115.44 1kmz h LYS 24 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1kmz h LYS 24 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1kmz h LYS 24 CO -0.09 0.07 0.00 1.28 -0.57 0.00 0.00 179.45 180.13 1kmz n LEU 25 N -3.37 5.46 0.00 2.94 4.77 -0.68 -4.93 117.00 121.19 1kmz n LEU 25 Ca -0.01 -2.77 0.00 0.00 -0.03 0.00 0.00 56.01 53.19 1kmz n LEU 25 Cb 0.22 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1kmz n LEU 25 CO 0.27 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1kmz n GLY 26 N 0.60 0.66 3.73 -0.72 0.00 -0.67 -5.01 105.19 103.78 1kmz n GLY 26 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1kmz n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kmz s VAL 27 N -2.56 3.53 -0.67 1.61 1.01 -0.85 -4.94 120.40 117.54 1kmz s VAL 27 Ca 0.00 1.24 -0.25 0.00 0.00 0.00 0.00 61.98 62.97 1kmz s VAL 27 Cb 0.00 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1kmz s VAL 27 CO 0.00 0.18 1.12 -0.70 0.00 0.00 0.00 175.10 175.70 1kmz s GLU 28 N 0.01 3.23 -0.17 2.72 2.56 -1.26 -4.39 118.70 121.40 1kmz s GLU 28 Ca 0.55 -0.36 0.00 0.00 0.00 0.00 0.00 54.97 55.16 1kmz s GLU 28 Cb -0.33 -4.15 0.00 0.00 2.00 0.00 0.00 34.13 31.64 1kmz s GLU 28 CO 0.36 -1.89 -0.15 0.42 -0.56 0.00 0.00 175.26 173.43 1kmz s ILE 29 N 4.87 2.62 0.27 -3.70 1.01 -1.26 -4.41 121.20 120.60 1kmz s ILE 29 Ca 0.31 -0.78 -0.27 0.00 0.00 0.00 0.00 60.65 59.92 1kmz s ILE 29 Cb -0.11 -2.11 -0.16 0.00 0.01 0.00 0.00 42.46 40.09 1kmz s ILE 29 CO 0.15 0.51 0.61 -2.65 0.00 0.00 0.00 174.94 173.56 1kmz n PRO 30 N 4.24 0.41 -1.76 2.79 -0.02 -1.26 -4.89 135.00 134.50 1kmz n PRO 30 Ca -0.19 0.14 -0.40 0.00 -2.02 0.00 0.00 63.50 61.03 1kmz n PRO 30 Cb 0.51 -1.27 0.02 0.00 -0.02 0.00 0.00 33.50 32.74 1kmz n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kmz n ALA 31 N -0.14 1.98 -1.39 3.55 0.00 -1.26 -2.83 120.51 120.42 1kmz n ALA 31 Ca 0.14 0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.68 1kmz n ALA 31 Cb 0.30 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.30 1kmz n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1kmz n GLU 32 N -0.31 -1.07 0.00 0.00 1.02 -1.26 -4.86 120.64 114.16 1kmz n GLU 32 Ca 0.06 0.96 0.14 0.00 -0.02 0.00 0.00 57.16 58.29 1kmz n GLU 32 Cb 0.42 -5.08 0.74 0.00 -0.02 0.00 0.00 31.44 27.50 1kmz n GLU 32 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kmz n ALA 33 N 1.25 2.42 0.31 0.62 0.00 -1.13 -3.27 120.51 120.71 1kmz n ALA 33 Ca -0.13 -0.15 0.20 0.00 0.00 0.00 0.00 53.44 53.36 1kmz n ALA 33 Cb 0.47 -1.44 1.00 0.00 0.00 0.00 0.00 19.45 19.48 1kmz n ALA 33 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1kmz h ASP 34 N 0.00 0.00 -0.31 0.00 3.32 -1.89 -1.33 116.42 116.21 1kmz h ASP 34 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1kmz h ASP 34 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1kmz h ASP 34 CO 0.00 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.32 1kmz n SER 35 N -2.99 3.27 -4.77 6.45 7.64 -1.20 -4.34 113.62 117.68 1kmz n SER 35 Ca -0.02 -1.98 -0.39 0.00 1.01 0.00 0.00 58.87 57.50 1kmz n SER 35 Cb 0.14 -0.19 -0.06 0.00 -1.01 0.00 0.00 64.21 63.08 1kmz n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kmz s ALA 36 N -1.61 3.37 -0.04 -0.43 0.00 -0.50 -4.93 121.76 117.61 1kmz s ALA 36 Ca 0.37 0.46 0.23 0.00 0.00 0.00 0.00 51.96 53.01 1kmz s ALA 36 Cb 0.22 -3.07 0.65 0.00 0.00 0.00 0.00 23.12 20.92 1kmz s ALA 36 CO 0.31 0.25 1.71 -1.00 0.00 0.00 0.00 175.76 177.03 1kmz h PRO 37 N 4.03 0.00 -2.84 0.00 0.13 -1.92 -3.44 132.00 127.95 1kmz h PRO 37 Ca -0.46 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.49 1kmz h PRO 37 Cb 1.20 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.03 1kmz h PRO 37 CO 0.66 0.23 -0.45 -1.58 -0.23 0.00 0.00 178.00 176.63 1kmz s HIS 38 N -3.40 -0.46 0.04 1.56 5.65 -1.26 -1.50 115.29 115.92 1kmz s HIS 38 Ca 0.03 1.02 0.06 0.00 0.25 0.00 0.00 55.06 56.42 1kmz s HIS 38 Cb 0.08 0.09 -0.02 0.00 -1.18 0.00 0.00 32.58 31.55 1kmz s HIS 38 CO 0.66 -0.32 -0.16 0.99 -0.65 0.00 0.00 174.74 175.25 1kmz s THR 39 N 1.82 1.31 0.01 0.89 2.01 -0.41 -5.00 115.64 116.28 1kmz s THR 39 Ca -0.05 -1.06 0.04 0.00 0.31 0.00 0.00 61.69 60.93 1kmz s THR 39 Cb -0.11 -1.16 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 1kmz s THR 39 CO -0.10 0.09 -0.12 -1.61 -0.69 0.00 0.00 174.62 172.19 1kmz s GLU 40 N -1.12 0.87 0.02 4.92 2.02 -1.26 -1.17 118.70 122.97 1kmz s GLU 40 Ca 0.04 -0.55 0.08 0.00 0.02 0.00 0.00 54.97 54.56 1kmz s GLU 40 Cb -0.08 -0.84 -0.02 0.00 0.10 0.00 0.00 34.13 33.29 1kmz s GLU 40 CO 0.01 0.22 -0.25 0.00 0.02 0.00 0.00 175.26 175.26 1kmz s ALA 41 N -0.56 2.09 -0.13 5.21 0.00 0.91 -4.59 121.76 124.69 1kmz s ALA 41 Ca 0.02 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 50.67 1kmz s ALA 41 Cb -0.06 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 1kmz s ALA 41 CO 0.00 0.50 0.38 0.08 0.00 0.00 0.00 175.76 176.72 1kmz s VAL 42 N -0.72 5.24 0.30 0.00 1.01 -1.26 -0.99 120.40 123.98 1kmz s VAL 42 Ca 0.10 0.74 0.07 0.00 0.00 0.00 0.00 61.98 62.89 1kmz s VAL 42 Cb -0.10 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1kmz s VAL 42 CO 0.01 0.38 0.27 -0.76 0.00 0.00 0.00 175.10 175.00 1kmz s LEU 43 N 0.40 3.73 0.38 3.92 1.02 0.30 -4.86 118.68 123.57 1kmz s LEU 43 Ca 0.21 -0.37 -0.27 0.00 0.02 0.00 0.00 54.13 53.72 1kmz s LEU 43 Cb -0.14 -2.32 -0.11 0.00 0.02 0.00 0.00 46.19 43.64 1kmz s LEU 43 CO 0.07 -0.23 1.37 0.47 0.02 0.00 0.00 176.35 178.06 1kmz n ASP 44 N -1.31 3.15 0.00 2.29 10.43 -1.26 -1.10 116.55 128.74 1kmz n ASP 44 Ca -0.04 1.19 0.00 0.00 2.57 0.00 0.00 54.79 58.51 1kmz n ASP 44 Cb 0.59 -1.55 0.00 0.00 1.84 0.00 0.00 41.12 42.00 1kmz n ASP 44 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1kmz n GLY 45 N 0.64 2.65 0.00 0.44 0.00 -1.26 -4.13 105.19 103.54 1kmz n GLY 45 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1kmz n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kmz n GLY 46 N -2.00 0.98 3.76 -0.02 0.00 -0.26 -5.07 105.19 102.58 1kmz n GLY 46 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1kmz n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kmz s ILE 47 N -2.13 2.65 0.13 -0.61 1.01 -1.25 -4.71 121.20 116.28 1kmz s ILE 47 Ca 0.00 0.44 0.09 0.00 0.00 0.00 0.00 60.65 61.18 1kmz s ILE 47 Cb 0.00 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 1kmz s ILE 47 CO 0.00 -0.05 -0.17 -0.13 0.00 0.00 0.00 174.94 174.60 1kmz s ARG 48 N -3.05 1.82 -0.20 2.79 0.52 -0.56 -0.54 118.95 119.73 1kmz s ARG 48 Ca 0.72 -1.21 -0.10 0.00 -0.52 0.00 0.00 55.73 54.62 1kmz s ARG 48 Cb -0.32 -2.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.99 1kmz s ARG 48 CO 0.37 0.47 0.13 -1.17 0.02 0.00 0.00 175.30 175.11 1kmz s LEU 49 N -2.30 4.20 0.16 2.53 2.96 -0.16 -1.19 118.68 124.88 1kmz s LEU 49 Ca 0.19 0.22 0.10 0.00 -0.22 0.00 0.00 54.13 54.43 1kmz s LEU 49 Cb -0.10 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 1kmz s LEU 49 CO 0.11 0.18 -0.22 0.00 -1.32 0.00 0.00 176.35 175.10 1kmz s ALA 50 N 0.37 2.21 -0.04 5.97 0.00 0.68 -0.06 121.76 130.89 1kmz s ALA 50 Ca 0.08 -1.50 0.05 0.00 0.00 0.00 0.00 51.96 50.59 1kmz s ALA 50 Cb -0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 1kmz s ALA 50 CO -0.02 0.37 -0.19 -1.58 0.00 0.00 0.00 175.76 174.34 1kmz s TRP 51 N -1.63 1.83 -0.06 0.00 0.51 -0.32 -0.15 118.94 119.12 1kmz s TRP 51 Ca 0.16 -0.51 0.03 0.00 -2.12 0.00 0.00 56.10 53.65 1kmz s TRP 51 Cb -0.08 -1.22 0.01 0.00 -0.81 0.00 0.00 33.47 31.37 1kmz s TRP 51 CO 0.07 -0.16 -0.13 -0.51 -0.51 0.00 0.00 176.95 175.71 1kmz s ASP 52 N -0.04 1.80 0.75 2.95 1.01 -0.42 -1.29 116.67 121.42 1kmz s ASP 52 Ca -0.03 -0.30 -0.12 0.00 0.71 0.00 0.00 52.55 52.81 1kmz s ASP 52 Cb -0.11 -0.73 0.04 0.00 1.01 0.00 0.00 42.92 43.13 1kmz s ASP 52 CO 0.02 0.06 1.11 0.42 0.21 0.00 0.00 175.17 176.99 1kmz s THR 53 N 0.49 3.14 0.25 -1.27 -4.23 -0.56 -0.73 115.64 112.74 1kmz s THR 53 Ca -0.11 0.43 -0.02 0.00 -1.18 0.00 0.00 61.69 60.80 1kmz s THR 53 Cb -0.14 -2.89 0.23 0.00 1.34 0.00 0.00 72.50 71.03 1kmz s THR 53 CO 0.03 -0.43 1.77 0.58 -0.54 0.00 0.00 174.62 176.04 1kmz h VAL 54 N -0.77 0.78 -0.58 2.29 2.07 -1.69 -1.05 116.25 117.30 1kmz h VAL 54 Ca -0.45 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 66.90 1kmz h VAL 54 Cb 1.24 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1kmz h VAL 54 CO 0.51 0.12 0.30 -0.33 0.02 0.00 0.00 177.57 178.19 1kmz h GLU 55 N 0.65 0.54 0.43 1.57 3.07 -1.91 -0.53 114.58 118.40 1kmz h GLU 55 Ca 0.43 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.24 1kmz h GLU 55 Cb 0.56 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1kmz h GLU 55 CO -0.33 0.36 -0.22 1.15 -1.40 0.00 0.00 179.01 178.57 1kmz h THR 56 N 0.56 0.56 -0.69 1.13 2.02 -1.78 -2.01 112.91 112.69 1kmz h THR 56 Ca 0.26 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.44 1kmz h THR 56 Cb 0.18 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1kmz h THR 56 CO -0.18 0.00 0.43 0.58 0.37 0.00 0.00 175.52 176.71 1kmz h VAL 57 N -0.59 1.19 0.00 3.16 2.07 -0.77 -2.10 116.25 119.21 1kmz h VAL 57 Ca -0.06 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1kmz h VAL 57 Cb 0.46 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1kmz h VAL 57 CO 0.09 0.20 0.00 0.54 0.02 0.00 0.00 177.57 178.42 1kmz n ARG 58 N -4.56 0.20 0.27 1.57 1.74 -0.25 -0.46 116.66 115.18 1kmz n ARG 58 Ca 0.06 0.41 0.16 0.00 -0.77 0.00 0.00 57.85 57.71 1kmz n ARG 58 Cb 0.05 -1.88 0.69 0.00 -1.02 0.00 0.00 32.46 30.30 1kmz n ARG 58 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1kmz h SER 59 N 0.00 0.00 0.00 0.55 4.64 -0.64 -3.20 113.55 114.90 1kmz h SER 59 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kmz h SER 59 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1kmz h SER 59 CO 0.00 0.06 -0.34 0.00 -0.87 0.00 0.00 176.83 175.67 1kmz n TYR 60 N -3.20 0.00 -3.33 4.77 0.18 -1.02 -4.88 117.16 109.69 1kmz n TYR 60 Ca -0.00 0.00 -0.26 0.00 1.88 0.00 0.00 57.90 59.52 1kmz n TYR 60 Cb 0.30 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.19 1kmz n TYR 60 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1kmz n ASP 61 N -0.76 2.40 0.32 9.48 2.03 0.39 -4.96 116.55 125.45 1kmz n ASP 61 Ca 0.00 -3.16 0.21 0.00 0.52 0.00 0.00 54.79 52.36 1kmz n ASP 61 Cb 0.00 -0.66 1.07 0.00 -0.72 0.00 0.00 41.12 40.81 1kmz n ASP 61 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1kmz h PRO 62 N 4.09 0.00 0.00 -0.67 0.13 -1.75 -2.11 132.00 131.69 1kmz h PRO 62 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1kmz h PRO 62 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1kmz h PRO 62 CO 0.69 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.40 1kmz h GLU 63 N 0.00 0.00 -6.34 0.86 5.08 -1.93 -3.45 114.58 108.81 1kmz h GLU 63 Ca -0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 1kmz h GLU 63 Cb 0.14 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.42 1kmz h GLU 63 CO 0.00 0.00 0.98 1.87 -1.00 0.00 0.00 179.01 180.86 1kmz n TRP 64 N -2.99 2.27 -4.30 4.33 -0.00 -0.79 -4.90 117.44 111.06 1kmz n TRP 64 Ca -0.02 0.12 -0.19 0.00 -0.00 0.00 0.00 57.50 57.41 1kmz n TRP 64 Cb 0.10 -2.61 -0.13 0.00 -0.00 0.00 0.00 31.31 28.67 1kmz n TRP 64 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1kmz s GLN 65 N 2.97 0.85 0.00 5.87 -1.52 -1.26 -4.99 119.66 121.58 1kmz s GLN 65 Ca 0.88 -0.73 0.00 0.00 -1.95 0.00 0.00 55.36 53.57 1kmz s GLN 65 Cb -0.71 -0.83 0.00 0.00 -0.22 0.00 0.00 33.01 31.24 1kmz s GLN 65 CO 0.48 0.20 0.13 0.00 -0.25 0.00 0.00 175.29 175.85 1kmz n ALA 66 N 1.89 0.70 -0.37 6.09 0.00 -1.26 -4.50 120.51 123.06 1kmz n ALA 66 Ca -0.18 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.29 1kmz n ALA 66 Cb 0.55 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 1kmz n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kmz n GLY 70 N 1.91 -2.91 3.77 0.00 0.00 -1.26 -5.10 105.19 101.60 1kmz n GLY 70 Ca 0.00 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 1kmz n GLY 70 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1kmz s HIS 71 N -3.64 3.42 -2.19 1.61 -3.43 -1.26 -4.92 115.29 104.89 1kmz s HIS 71 Ca 0.00 1.67 0.19 0.00 -0.80 0.00 0.00 55.06 56.13 1kmz s HIS 71 Cb 0.00 -3.20 0.26 0.00 -1.43 0.00 0.00 32.58 28.21 1kmz s HIS 71 CO 0.00 -0.59 1.21 0.54 -2.00 0.00 0.00 174.74 173.90 1kmz n ARG 72 N 0.54 2.00 -3.78 -0.38 1.74 -1.26 -4.74 116.66 110.79 1kmz n ARG 72 Ca 0.02 -1.88 -0.10 0.00 -0.77 0.00 0.00 57.85 55.12 1kmz n ARG 72 Cb 0.47 -1.40 -0.05 0.00 -1.02 0.00 0.00 32.46 30.46 1kmz n ARG 72 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1kmz s PHE 73 N -1.44 0.02 0.04 -1.55 -0.71 -1.26 -1.78 117.98 111.30 1kmz s PHE 73 Ca 0.28 -0.37 -0.06 0.00 -1.04 0.00 0.00 56.93 55.73 1kmz s PHE 73 Cb 0.18 0.20 -0.01 0.00 -1.21 0.00 0.00 43.02 42.18 1kmz s PHE 73 CO 0.25 -0.77 0.12 0.00 -1.34 0.00 0.00 175.22 173.48 1kmz s ALA 74 N -3.88 -0.13 -0.15 1.99 0.00 0.19 -4.07 121.76 115.71 1kmz s ALA 74 Ca 0.09 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 1kmz s ALA 74 Cb 0.01 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 1kmz s ALA 74 CO -0.05 -0.33 -0.08 0.42 0.00 0.00 0.00 175.76 175.72 1kmz s ILE 75 N -2.66 3.49 -0.16 0.00 1.01 -0.88 -0.74 121.20 121.26 1kmz s ILE 75 Ca -0.04 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 1kmz s ILE 75 Cb -0.01 -2.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 1kmz s ILE 75 CO -0.05 0.50 -0.10 0.00 0.00 0.00 0.00 174.94 175.30 1kmz s ALA 76 N 0.47 2.72 -0.15 9.38 0.00 0.30 -0.44 121.76 134.04 1kmz s ALA 76 Ca -0.06 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 1kmz s ALA 76 Cb -0.15 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 1kmz s ALA 76 CO 0.04 0.05 -0.01 -0.06 0.00 0.00 0.00 175.76 175.78 1kmz s PHE 77 N 0.67 3.09 -0.03 0.00 0.40 0.32 -0.19 117.98 122.24 1kmz s PHE 77 Ca -0.05 -0.17 -0.12 0.00 -0.60 0.00 0.00 56.93 55.99 1kmz s PHE 77 Cb -0.15 -1.97 -0.05 0.00 0.51 0.00 0.00 43.02 41.36 1kmz s PHE 77 CO 0.02 0.06 0.33 -2.00 0.70 0.00 0.00 175.22 174.33 1kmz s GLU 78 N 0.25 3.77 0.19 0.44 2.12 0.15 -1.48 118.70 124.14 1kmz s GLU 78 Ca -0.01 0.25 0.10 0.00 0.36 0.00 0.00 54.97 55.67 1kmz s GLU 78 Cb -0.13 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 1kmz s GLU 78 CO 0.02 0.71 -0.16 -0.06 -0.54 0.00 0.00 175.26 175.24 1kmz s PHE 79 N -1.08 2.49 0.11 5.30 0.40 0.38 -1.99 117.98 123.60 1kmz s PHE 79 Ca 0.22 -0.28 0.34 0.00 -0.60 0.00 0.00 56.93 56.61 1kmz s PHE 79 Cb -0.15 -1.22 1.51 0.00 0.51 0.00 0.00 43.02 43.66 1kmz s PHE 79 CO 0.11 0.51 2.01 -1.00 0.70 0.00 0.00 175.22 177.54 1kmz h PRO 80 N 3.04 0.00 -3.27 0.24 0.13 -1.98 -3.41 132.00 126.74 1kmz h PRO 80 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1kmz h PRO 80 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 1kmz h PRO 80 CO 0.52 0.00 0.07 0.16 -0.23 0.00 0.00 178.00 178.52 1kmz s ASP 81 N -5.30 -0.23 0.17 1.44 1.47 -1.26 -5.00 116.67 107.96 1kmz s ASP 81 Ca 0.00 -0.61 -0.03 0.00 1.18 0.00 0.00 52.55 53.09 1kmz s ASP 81 Cb 0.10 0.63 0.05 0.00 -0.34 0.00 0.00 42.92 43.36 1kmz s ASP 81 CO 0.48 -1.17 1.44 0.71 0.68 0.00 0.00 175.17 177.31 1kmz h THR 82 N 2.13 1.34 0.00 2.11 1.35 -1.88 -3.07 112.91 114.90 1kmz h THR 82 Ca -0.25 -2.00 -0.02 0.00 -0.55 0.00 0.00 66.41 63.59 1kmz h THR 82 Cb 1.26 1.98 -0.00 0.00 -1.73 0.00 0.00 68.15 69.65 1kmz h THR 82 CO 0.32 0.61 -0.11 0.00 -0.25 0.00 0.00 175.52 176.09 1kmz h ALA 83 N 0.90 1.77 0.00 6.62 0.00 -1.99 -1.64 119.26 124.91 1kmz h ALA 83 Ca -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1kmz h ALA 83 Cb 1.24 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1kmz h ALA 83 CO 0.12 0.14 -0.16 0.77 0.00 0.00 0.00 179.25 180.12 1kmz h SER 84 N 0.00 0.00 -0.07 0.00 0.02 -1.96 -2.01 113.55 109.54 1kmz h SER 84 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1kmz h SER 84 Cb 0.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1kmz h SER 84 CO 0.01 0.16 0.01 0.58 -1.14 0.00 0.00 176.83 176.45 1kmz h VAL 85 N 0.00 1.22 -0.98 2.27 2.07 -1.39 0.09 116.25 119.54 1kmz h VAL 85 Ca -0.00 -0.69 0.06 0.00 0.82 0.00 0.00 66.70 66.89 1kmz h VAL 85 Cb 0.30 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 1kmz h VAL 85 CO 0.02 0.19 0.64 0.44 0.02 0.00 0.00 177.57 178.88 1kmz h ASP 86 N -0.14 1.01 0.03 0.57 5.19 -1.45 0.12 116.42 121.74 1kmz h ASP 86 Ca 0.02 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1kmz h ASP 86 Cb 0.30 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1kmz h ASP 86 CO 0.00 0.65 -0.01 0.50 -3.12 0.00 0.00 179.24 177.26 1kmz h LYS 87 N 1.15 -0.03 -0.59 3.56 1.63 -1.28 -0.05 116.57 120.96 1kmz h LYS 87 Ca 0.42 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 60.16 1kmz h LYS 87 Cb 0.16 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 1kmz h LYS 87 CO -0.16 0.45 0.13 -0.22 -3.45 0.00 0.00 179.45 176.20 1kmz h LYS 88 N -0.54 0.95 -0.52 1.90 1.63 -0.83 0.13 116.57 119.29 1kmz h LYS 88 Ca -0.00 -0.24 0.08 0.00 -0.85 0.00 0.00 60.65 59.64 1kmz h LYS 88 Cb 0.50 -0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 31.95 1kmz h LYS 88 CO 0.01 0.89 0.16 -0.92 -3.45 0.00 0.00 179.45 176.14 1kmz h TYR 89 N 0.86 0.28 -0.44 1.91 5.03 -0.67 0.75 116.97 124.69 1kmz h TYR 89 Ca 0.18 0.03 -0.14 0.00 2.58 0.00 0.00 58.73 61.38 1kmz h TYR 89 Cb 0.37 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.59 1kmz h TYR 89 CO 0.03 0.07 -0.29 0.00 -1.32 0.00 0.00 178.16 176.65 1kmz h ALA 90 N 1.37 0.66 -0.29 1.82 0.00 -0.68 0.07 119.26 122.21 1kmz h ALA 90 Ca 0.26 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1kmz h ALA 90 Cb 0.31 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1kmz h ALA 90 CO -0.29 0.68 0.01 0.93 0.00 0.00 0.00 179.25 180.58 1kmz h GLU 91 N 0.81 0.10 -0.58 0.00 5.08 -0.17 0.10 114.58 119.92 1kmz h GLU 91 Ca 0.09 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 1kmz h GLU 91 Cb 0.87 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1kmz h GLU 91 CO 0.08 0.07 0.07 -0.07 -1.00 0.00 0.00 179.01 178.15 1kmz h LEU 92 N 0.10 0.94 -0.19 1.33 3.38 -0.73 -2.46 115.31 117.69 1kmz h LEU 92 Ca 0.14 -0.27 -0.22 0.00 0.09 0.00 0.00 57.88 57.61 1kmz h LEU 92 Cb 0.18 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.68 1kmz h LEU 92 CO -0.22 0.98 -0.87 0.58 0.09 0.00 0.00 178.44 179.00 1kmz h VAL 93 N 0.87 1.33 0.00 1.22 2.07 -0.65 -2.14 116.25 118.96 1kmz h VAL 93 Ca 0.17 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.49 1kmz h VAL 93 Cb 0.46 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1kmz h VAL 93 CO 0.02 0.67 0.00 -0.90 0.02 0.00 0.00 177.57 177.38 1kmz n ASP 94 N -3.84 0.24 0.00 0.57 5.75 0.33 -0.49 116.55 119.11 1kmz n ASP 94 Ca -0.07 0.54 0.11 0.00 -0.01 0.00 0.00 54.79 55.36 1kmz n ASP 94 Cb 0.79 -0.60 0.53 0.00 -1.03 0.00 0.00 41.12 40.81 1kmz n ASP 94 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kmz n ALA 95 N -1.59 2.11 0.00 2.12 0.00 -0.93 -4.90 120.51 117.32 1kmz n ALA 95 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1kmz n ALA 95 Cb 0.27 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1kmz n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kmz n GLY 96 N 0.89 0.80 3.88 0.00 0.00 0.35 -5.09 105.19 106.03 1kmz n GLY 96 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1kmz n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kmz s TYR 97 N -2.00 3.61 -0.30 1.61 2.02 -0.84 -4.98 117.35 116.46 1kmz s TYR 97 Ca 0.00 1.15 -0.29 0.00 -0.37 0.00 0.00 57.07 57.56 1kmz s TYR 97 Cb 0.00 -2.61 0.01 0.00 -0.40 0.00 0.00 41.96 38.96 1kmz s TYR 97 CO 0.00 -0.58 1.19 -2.00 -1.57 0.00 0.00 175.55 172.59 1kmz s GLU 98 N -5.06 4.00 -0.15 -0.62 2.12 -1.25 -4.44 118.70 113.30 1kmz s GLU 98 Ca 0.53 1.19 -0.24 0.00 0.36 0.00 0.00 54.97 56.80 1kmz s GLU 98 Cb -0.11 -3.81 -0.02 0.00 0.26 0.00 0.00 34.13 30.45 1kmz s GLU 98 CO 0.51 -1.00 0.78 0.20 -0.54 0.00 0.00 175.26 175.21 1kmz s GLY 99 N 2.21 2.22 -0.26 -1.50 0.00 -1.26 -0.33 107.32 108.39 1kmz s GLY 99 Ca 0.51 0.02 -0.08 0.00 0.00 0.00 0.00 44.72 45.16 1kmz s GLY 99 CO 0.19 1.51 -0.30 1.57 0.00 0.00 0.00 173.10 176.07 1kmz n HIS 100 N 4.88 0.00 -3.69 1.90 -0.00 0.51 -4.91 115.22 113.91 1kmz n HIS 100 Ca 0.02 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.97 1kmz n HIS 100 Cb 0.49 -0.95 -0.17 0.00 -0.12 0.00 0.00 29.99 29.24 1kmz n HIS 100 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1kmz s LEU 101 N -7.10 0.45 0.80 0.27 1.43 -0.57 -4.99 118.68 108.97 1kmz s LEU 101 Ca -0.36 -0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 1kmz s LEU 101 Cb 0.12 -0.31 0.08 0.00 0.03 0.00 0.00 46.19 46.12 1kmz s LEU 101 CO 0.50 -0.27 1.14 -1.59 0.23 0.00 0.00 176.35 176.36 1kmz s LYS 102 N 2.07 1.82 0.30 1.70 -2.85 -1.26 -1.44 119.74 120.07 1kmz s LYS 102 Ca 0.04 1.48 -0.28 0.00 -1.00 0.00 0.00 55.97 56.20 1kmz s LYS 102 Cb -0.14 -1.82 -0.13 0.00 -2.06 0.00 0.00 37.83 33.67 1kmz s LYS 102 CO -0.06 -2.02 1.14 -2.30 0.10 0.00 0.00 175.35 172.21 1kmz n PRO 103 N -3.49 1.64 -3.77 1.78 -0.02 -1.26 -4.78 135.00 125.12 1kmz n PRO 103 Ca 0.11 0.58 -0.10 0.00 -2.02 0.00 0.00 63.50 62.07 1kmz n PRO 103 Cb 0.52 -2.04 -0.07 0.00 -0.02 0.00 0.00 33.50 31.89 1kmz n PRO 103 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1kmz s TRP 104 N -0.96 -0.03 -0.44 6.00 -2.14 0.18 -4.97 118.94 116.58 1kmz s TRP 104 Ca 0.59 -0.25 -0.26 0.00 2.66 0.00 0.00 56.10 58.84 1kmz s TRP 104 Cb -0.66 0.07 0.03 0.00 -3.10 0.00 0.00 33.47 29.81 1kmz s TRP 104 CO 0.60 -0.56 0.96 -0.80 -2.66 0.00 0.00 176.95 174.48 1kmz s ASN 105 N -2.50 6.56 0.33 -2.66 -0.87 -1.26 -1.27 114.94 113.26 1kmz s ASN 105 Ca 0.00 0.27 -0.17 0.00 -1.57 0.00 0.00 52.86 51.39 1kmz s ASN 105 Cb 0.02 -2.47 -0.09 0.00 -0.02 0.00 0.00 41.25 38.69 1kmz s ASN 105 CO -0.08 -1.04 0.78 0.00 -2.57 0.00 0.00 177.10 174.19 1kmz s ALA 106 N 3.80 3.27 0.63 0.60 0.00 0.14 -4.96 121.76 125.24 1kmz s ALA 106 Ca 0.39 0.13 0.43 0.00 0.00 0.00 0.00 51.96 52.92 1kmz s ALA 106 Cb -0.10 -2.86 2.35 0.00 0.00 0.00 0.00 23.12 22.51 1kmz s ALA 106 CO 0.25 0.29 2.35 0.28 0.00 0.00 0.00 175.76 178.93 1kmz h VAL 107 N 2.03 0.03 -0.48 0.00 2.07 -1.96 -0.92 116.25 117.02 1kmz h VAL 107 Ca -0.48 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1kmz h VAL 107 Cb 1.18 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1kmz h VAL 107 CO 0.64 0.00 0.00 -2.67 0.02 0.00 0.00 177.57 175.57 1kmz n TRP 108 N -3.12 0.80 0.00 1.57 2.14 -1.26 -4.92 117.44 112.66 1kmz n TRP 108 Ca -0.03 -0.36 0.00 0.00 2.07 0.00 0.00 57.50 59.18 1kmz n TRP 108 Cb 0.09 -0.07 0.00 0.00 -0.81 0.00 0.00 31.31 30.51 1kmz n TRP 108 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1kmz n GLY 109 N 1.13 1.34 2.96 -1.67 0.00 -0.35 -5.05 105.19 103.54 1kmz n GLY 109 Ca 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 1kmz n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kmz s GLN 110 N -0.20 0.37 0.07 1.61 -0.21 -1.25 -1.41 119.66 118.64 1kmz s GLN 110 Ca 0.00 -0.24 -0.31 0.00 0.02 0.00 0.00 55.36 54.83 1kmz s GLN 110 Cb 0.00 -0.32 -0.07 0.00 1.00 0.00 0.00 33.01 33.62 1kmz s GLN 110 CO 0.00 0.08 1.42 0.50 -2.12 0.00 0.00 175.29 175.17 1kmz s ARG 111 N -0.32 4.29 -0.01 2.91 6.06 0.37 -0.68 118.95 131.57 1kmz s ARG 111 Ca -0.00 2.07 -0.01 0.00 -2.50 0.00 0.00 55.73 55.28 1kmz s ARG 111 Cb -0.03 -3.39 -0.00 0.00 0.06 0.00 0.00 34.95 31.59 1kmz s ARG 111 CO -0.00 -0.52 0.02 -0.47 -2.50 0.00 0.00 175.30 171.84 1kmz s TYR 112 N 1.70 0.02 0.06 5.12 6.14 -0.40 -1.54 117.35 128.45 1kmz s TYR 112 Ca 0.65 -0.02 -0.14 0.00 0.64 0.00 0.00 57.07 58.20 1kmz s TYR 112 Cb -0.35 -0.02 0.02 0.00 0.42 0.00 0.00 41.96 42.03 1kmz s TYR 112 CO 0.29 -0.05 0.32 0.00 0.64 0.00 0.00 175.55 176.75 1kmz s ALA 113 N -0.24 -0.70 -0.05 3.97 0.00 0.32 -0.65 121.76 124.41 1kmz s ALA 113 Ca -0.03 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.88 1kmz s ALA 113 Cb -0.02 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.53 1kmz s ALA 113 CO -0.00 -0.47 -0.05 0.42 0.00 0.00 0.00 175.76 175.66 1kmz s ILE 114 N -2.94 0.57 0.38 0.00 1.01 -0.52 -0.46 121.20 119.23 1kmz s ILE 114 Ca -0.02 -0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.59 1kmz s ILE 114 Cb 0.00 -0.60 -0.07 0.00 0.01 0.00 0.00 42.46 41.81 1kmz s ILE 114 CO -0.06 0.24 -0.02 0.68 0.00 0.00 0.00 174.94 175.78 1kmz s VAL 115 N 1.03 2.18 -0.05 2.92 -7.23 -0.34 -0.36 120.40 118.55 1kmz s VAL 115 Ca -0.09 -2.06 0.05 0.00 -1.81 0.00 0.00 61.98 58.07 1kmz s VAL 115 Cb -0.14 -2.84 -0.02 0.00 0.56 0.00 0.00 36.38 33.94 1kmz s VAL 115 CO -0.00 -0.10 -0.20 -0.54 -0.31 0.00 0.00 175.10 173.95 1kmz s LYS 116 N -3.68 2.46 1.06 4.82 1.02 0.55 -0.99 119.74 124.97 1kmz s LYS 116 Ca 0.34 -0.81 -0.17 0.00 0.02 0.00 0.00 55.97 55.35 1kmz s LYS 116 Cb 0.06 -2.25 0.23 0.00 -0.52 0.00 0.00 37.83 35.35 1kmz s LYS 116 CO 0.18 0.53 1.22 0.16 -0.92 0.00 0.00 175.35 176.52 1kmz s ASP 117 N -0.50 2.23 0.64 2.83 -4.77 0.04 -3.83 116.67 113.31 1kmz s ASP 117 Ca 0.06 0.45 0.38 0.00 -3.30 0.00 0.00 52.55 50.15 1kmz s ASP 117 Cb -0.11 -0.61 2.09 0.00 -1.09 0.00 0.00 42.92 43.21 1kmz s ASP 117 CO 0.01 -3.30 2.18 -0.65 0.70 0.00 0.00 175.17 174.11 1kmz h PRO 118 N -2.02 0.00 -0.57 2.11 0.11 -2.00 -2.51 132.00 127.11 1kmz h PRO 118 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1kmz h PRO 118 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1kmz h PRO 118 CO 0.38 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.92 1kmz n ASP 119 N -2.95 3.87 0.00 -2.05 8.00 -1.26 -4.93 116.55 117.23 1kmz n ASP 119 Ca -0.03 -2.19 0.00 0.00 0.71 0.00 0.00 54.79 53.28 1kmz n ASP 119 Cb 0.17 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 1kmz n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kmz n GLY 120 N 1.03 0.77 3.79 0.44 0.00 -0.94 -5.05 105.19 105.22 1kmz n GLY 120 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1kmz n GLY 120 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kmz s ASN 121 N -2.75 6.14 -0.10 1.61 0.01 -1.26 -4.73 114.94 113.85 1kmz s ASN 121 Ca 0.00 2.04 -0.20 0.00 -0.71 0.00 0.00 52.86 53.99 1kmz s ASN 121 Cb 0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 1kmz s ASN 121 CO 0.00 -0.93 0.57 -0.69 -1.51 0.00 0.00 177.10 174.55 1kmz s VAL 122 N -1.86 5.12 -0.14 1.60 1.01 -1.26 -0.78 120.40 124.10 1kmz s VAL 122 Ca 0.69 1.16 0.01 0.00 0.00 0.00 0.00 61.98 63.83 1kmz s VAL 122 Cb -0.20 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.29 1kmz s VAL 122 CO 0.24 0.28 -0.16 -0.69 0.00 0.00 0.00 175.10 174.76 1kmz s VAL 123 N 0.78 1.68 -0.05 2.92 1.01 -0.17 -2.08 120.40 124.49 1kmz s VAL 123 Ca 0.31 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 1kmz s VAL 123 Cb -0.16 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1kmz s VAL 123 CO 0.13 0.48 0.30 -1.81 0.00 0.00 0.00 175.10 174.20 1kmz s ASP 124 N 1.22 6.63 -0.14 3.32 1.01 0.41 -1.20 116.67 127.92 1kmz s ASP 124 Ca -0.00 0.75 0.02 0.00 0.71 0.00 0.00 52.55 54.04 1kmz s ASP 124 Cb -0.14 -2.18 0.01 0.00 1.01 0.00 0.00 42.92 41.62 1kmz s ASP 124 CO -0.07 0.34 -0.21 -0.76 0.21 0.00 0.00 175.17 174.68 1kmz s LEU 125 N -0.97 2.15 0.12 1.23 1.43 0.39 -0.52 118.68 122.51 1kmz s LEU 125 Ca 0.20 -0.59 -0.14 0.00 -1.03 0.00 0.00 54.13 52.57 1kmz s LEU 125 Cb -0.15 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.64 1kmz s LEU 125 CO 0.09 0.08 0.35 0.72 0.23 0.00 0.00 176.35 177.83 1kmz s PHE 126 N 0.79 -0.12 -0.08 0.29 -0.71 -0.55 -0.52 117.98 117.09 1kmz s PHE 126 Ca -0.07 -0.22 -0.14 0.00 -1.04 0.00 0.00 56.93 55.46 1kmz s PHE 126 Cb -0.16 0.18 0.03 0.00 -1.21 0.00 0.00 43.02 41.87 1kmz s PHE 126 CO -0.01 -0.66 0.34 0.00 -1.34 0.00 0.00 175.22 173.54 1kmz s ALA 127 N -3.81 -0.85 0.31 1.99 0.00 -0.59 -0.47 121.76 118.35 1kmz s ALA 127 Ca 0.03 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 1kmz s ALA 127 Cb 0.03 -0.28 -0.10 0.00 0.00 0.00 0.00 23.12 22.76 1kmz s ALA 127 CO -0.12 -0.21 1.35 -1.25 0.00 0.00 0.00 175.76 175.53 1kmz s PRO 128 N -0.51 4.32 0.35 0.00 0.04 -1.26 -0.48 135.00 137.46 1kmz s PRO 128 Ca -0.06 2.25 -0.28 0.00 0.04 0.00 0.00 61.00 62.95 1kmz s PRO 128 Cb -0.04 -3.08 -0.10 0.00 0.04 0.00 0.00 34.50 31.32 1kmz s PRO 128 CO 0.02 -0.26 1.32 -0.51 0.04 0.00 0.00 177.00 177.61 1kmz s LEU 129 N -1.42 4.38 0.00 -3.56 1.02 -0.50 -4.68 118.68 113.91 1kmz s LEU 129 Ca 0.52 2.72 0.00 0.00 0.02 0.00 0.00 54.13 57.38 1kmz s LEU 129 Cb -0.40 -3.70 0.00 0.00 0.02 0.00 0.00 46.19 42.11 1kmz s LEU 129 CO 0.51 -0.62 0.42 -0.81 0.02 0.00 0.00 176.35 175.86