#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rcy s THR 6 N 0.00 5.12 0.01 1.09 -4.23 -1.26 -5.07 115.64 111.30 1rcy s THR 6 Ca 0.00 0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 60.71 1rcy s THR 6 Cb 0.00 -3.85 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 1rcy s THR 6 CO 0.00 -0.09 0.12 0.26 -0.54 0.00 0.00 174.62 174.37 1rcy s TRP 7 N 2.14 3.38 0.35 3.99 0.52 -1.26 -4.64 118.94 123.40 1rcy s TRP 7 Ca 0.14 0.24 0.08 0.00 0.02 0.00 0.00 56.10 56.59 1rcy s TRP 7 Cb -0.16 -1.76 -0.07 0.00 -1.15 0.00 0.00 33.47 30.34 1rcy s TRP 7 CO 0.12 0.58 -0.05 0.15 0.02 0.00 0.00 176.95 177.77 1rcy s LYS 8 N -1.92 1.79 -0.02 4.98 1.02 0.11 -4.93 119.74 120.77 1rcy s LYS 8 Ca 0.26 -1.95 0.05 0.00 0.02 0.00 0.00 55.97 54.35 1rcy s LYS 8 Cb -0.12 -1.52 -0.03 0.00 -0.52 0.00 0.00 37.83 35.64 1rcy s LYS 8 CO 0.17 0.05 -0.17 -1.21 -0.92 0.00 0.00 175.35 173.27 1rcy s GLU 9 N -3.68 2.33 0.02 1.68 0.41 -1.26 -0.84 118.70 117.36 1rcy s GLU 9 Ca 0.33 -0.81 0.02 0.00 -0.41 0.00 0.00 54.97 54.10 1rcy s GLU 9 Cb 0.05 -2.28 -0.02 0.00 -1.78 0.00 0.00 34.13 30.10 1rcy s GLU 9 CO 0.16 0.59 -0.07 0.00 -0.49 0.00 0.00 175.26 175.45 1rcy s ALA 10 N -0.78 0.56 0.76 5.21 0.00 -0.10 -4.93 121.76 122.48 1rcy s ALA 10 Ca 0.12 -0.57 -0.09 0.00 0.00 0.00 0.00 51.96 51.43 1rcy s ALA 10 Cb -0.10 -0.03 0.08 0.00 0.00 0.00 0.00 23.12 23.07 1rcy s ALA 10 CO 0.02 0.04 1.09 0.95 0.00 0.00 0.00 175.76 177.86 1rcy s THR 11 N -0.88 2.17 0.12 0.00 -4.23 -1.26 -0.60 115.64 110.96 1rcy s THR 11 Ca -0.05 -0.19 -0.20 0.00 -1.18 0.00 0.00 61.69 60.07 1rcy s THR 11 Cb -0.07 -2.98 -0.05 0.00 1.34 0.00 0.00 72.50 70.74 1rcy s THR 11 CO 0.00 0.00 1.72 0.25 -0.54 0.00 0.00 174.62 176.05 1rcy h LEU 12 N -0.82 -0.12 -1.76 4.79 7.12 -1.98 -0.67 115.31 121.88 1rcy h LEU 12 Ca -0.44 0.04 0.04 0.00 0.13 0.00 0.00 57.88 57.65 1rcy h LEU 12 Cb 1.31 0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 41.51 1rcy h LEU 12 CO 0.59 -0.04 0.23 1.55 -0.13 0.00 0.00 178.44 180.64 1rcy h PRO 13 N 0.02 0.31 -0.40 5.25 0.13 -1.98 -1.11 132.00 134.21 1rcy h PRO 13 Ca 0.08 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 65.07 1rcy h PRO 13 Cb 0.11 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 1rcy h PRO 13 CO -0.15 0.20 -0.20 1.96 -0.23 0.00 0.00 178.00 179.58 1rcy h GLN 14 N 0.32 0.84 -0.31 0.86 4.20 -1.67 -1.96 115.11 117.39 1rcy h GLN 14 Ca 0.15 -0.37 0.01 0.00 0.06 0.00 0.00 58.65 58.49 1rcy h GLN 14 Cb 0.19 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1rcy h GLN 14 CO -0.03 1.01 0.20 0.28 -0.67 0.00 0.00 178.83 179.61 1rcy h VAL 15 N 0.65 1.07 -0.68 -0.54 2.07 0.01 -1.47 116.25 117.35 1rcy h VAL 15 Ca 0.09 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1rcy h VAL 15 Cb 0.75 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1rcy h VAL 15 CO 0.06 0.07 0.39 0.11 0.02 0.00 0.00 177.57 178.23 1rcy h LYS 16 N 0.40 0.71 -0.68 1.57 6.56 -1.16 -1.41 116.57 122.56 1rcy h LYS 16 Ca 0.11 -0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.61 1rcy h LYS 16 Cb -0.03 -0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 31.44 1rcy h LYS 16 CO -0.03 0.47 0.24 0.00 -2.06 0.00 0.00 179.45 178.07 1rcy h ALA 17 N 1.34 0.89 -0.37 3.86 0.00 -0.96 -3.12 119.26 120.89 1rcy h ALA 17 Ca 0.30 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1rcy h ALA 17 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1rcy h ALA 17 CO -0.16 0.54 -0.38 0.52 0.00 0.00 0.00 179.25 179.77 1rcy h MET 18 N 0.99 0.91 -0.69 0.00 2.86 -0.83 -3.14 114.93 115.02 1rcy h MET 18 Ca 0.22 -0.48 0.11 0.00 -2.06 0.00 0.00 59.70 57.49 1rcy h MET 18 Cb 0.26 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 1rcy h MET 18 CO -0.01 1.14 0.46 -0.07 1.06 0.00 0.00 176.91 179.48 1rcy h LEU 19 N 0.73 0.44 -0.05 1.22 3.38 -1.22 0.82 115.31 120.62 1rcy h LEU 19 Ca 0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1rcy h LEU 19 Cb 0.97 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1rcy h LEU 19 CO 0.09 0.25 0.00 -1.84 0.09 0.00 0.00 178.44 177.03 1rcy n GLU 20 N -4.48 1.04 -0.01 1.13 0.28 -1.19 -3.44 120.64 113.98 1rcy n GLU 20 Ca 0.12 -0.05 0.14 0.00 -0.16 0.00 0.00 57.16 57.20 1rcy n GLU 20 Cb 0.41 -1.44 0.51 0.00 1.43 0.00 0.00 31.44 32.36 1rcy n GLU 20 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1rcy n LYS 21 N -0.87 1.67 -2.18 3.44 4.76 0.28 -4.85 118.16 120.40 1rcy n LYS 21 Ca 0.21 -0.97 -0.42 0.00 -2.87 0.00 0.00 58.31 54.25 1rcy n LYS 21 Cb 0.11 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.80 1rcy n LYS 21 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1rcy s ASP 22 N -1.95 6.80 -0.49 4.39 -1.08 -1.22 -4.81 116.67 118.30 1rcy s ASP 22 Ca 0.37 2.05 0.02 0.00 -0.52 0.00 0.00 52.55 54.48 1rcy s ASP 22 Cb 0.21 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.71 1rcy s ASP 22 CO 0.33 -0.82 1.93 -0.90 0.52 0.00 0.00 175.17 176.22 1rcy n ASP 23 N 6.50 4.78 -4.96 -0.34 5.68 -0.81 -4.95 116.55 122.45 1rcy n ASP 23 Ca 0.15 -3.60 -0.22 0.00 -0.50 0.00 0.00 54.79 50.62 1rcy n ASP 23 Cb 0.44 -0.87 0.02 0.00 -1.14 0.00 0.00 41.12 39.56 1rcy n ASP 23 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1rcy s GLY 24 N -1.34 1.67 -0.14 6.12 0.00 -1.26 -4.64 107.32 107.73 1rcy s GLY 24 Ca 0.57 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 44.12 1rcy s GLY 24 CO 0.07 -0.98 -0.19 0.54 0.00 0.00 0.00 173.10 172.55 1rcy s LYS 25 N -4.60 3.15 0.21 2.90 3.01 0.16 -4.86 119.74 119.71 1rcy s LYS 25 Ca 0.51 -0.80 -0.19 0.00 -1.01 0.00 0.00 55.97 54.49 1rcy s LYS 25 Cb -0.10 -2.51 -0.08 0.00 -1.01 0.00 0.00 37.83 34.13 1rcy s LYS 25 CO 0.38 0.07 0.70 0.14 0.51 0.00 0.00 175.35 177.15 1rcy s VAL 26 N 0.65 4.60 -0.25 3.17 -7.23 -1.26 -0.53 120.40 119.55 1rcy s VAL 26 Ca -0.09 1.23 -0.02 0.00 -1.81 0.00 0.00 61.98 61.29 1rcy s VAL 26 Cb -0.16 -3.85 0.13 0.00 0.56 0.00 0.00 36.38 33.06 1rcy s VAL 26 CO 0.02 0.22 0.35 -0.44 -0.31 0.00 0.00 175.10 174.95 1rcy s SER 27 N -1.64 0.57 1.72 4.85 0.01 0.44 -4.98 113.70 114.67 1rcy s SER 27 Ca 0.42 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.63 1rcy s SER 27 Cb -0.17 0.95 0.00 0.00 0.21 0.00 0.00 66.02 67.02 1rcy s SER 27 CO 0.21 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1rcy n GLY 28 N 5.35 3.14 2.16 3.44 0.00 -1.26 -1.55 105.19 116.46 1rcy n GLY 28 Ca -0.03 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 1rcy n GLY 28 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rcy n ASP 29 N 6.97 6.29 -4.02 1.61 8.00 -1.26 -4.95 116.55 129.20 1rcy n ASP 29 Ca 0.00 -3.77 -0.17 0.00 0.71 0.00 0.00 54.79 51.56 1rcy n ASP 29 Cb 0.00 -0.77 -0.14 0.00 -0.02 0.00 0.00 41.12 40.19 1rcy n ASP 29 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1rcy s THR 30 N -4.54 0.62 -0.18 -3.53 2.01 -0.60 -1.68 115.64 107.74 1rcy s THR 30 Ca 0.59 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.12 1rcy s THR 30 Cb 0.47 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 72.46 1rcy s THR 30 CO 0.01 0.07 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.13 1rcy s VAL 31 N -0.40 2.06 -0.20 3.82 1.01 -0.23 -0.42 120.40 126.05 1rcy s VAL 31 Ca 0.01 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 1rcy s VAL 31 Cb -0.04 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1rcy s VAL 31 CO -0.00 0.53 0.05 -0.89 0.00 0.00 0.00 175.10 174.78 1rcy s THR 32 N 1.29 4.49 0.15 3.92 2.01 0.31 -0.71 115.64 127.09 1rcy s THR 32 Ca 0.05 -0.13 0.05 0.00 0.31 0.00 0.00 61.69 61.97 1rcy s THR 32 Cb -0.13 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1rcy s THR 32 CO -0.13 0.43 0.10 -0.31 -0.69 0.00 0.00 174.62 174.02 1rcy s TYR 33 N 0.72 3.09 0.05 4.92 1.51 -0.54 -0.67 117.35 126.44 1rcy s TYR 33 Ca 0.02 -0.03 -0.11 0.00 -1.01 0.00 0.00 57.07 55.95 1rcy s TYR 33 Cb -0.14 -1.50 0.01 0.00 -0.11 0.00 0.00 41.96 40.22 1rcy s TYR 33 CO 0.02 0.52 0.23 -1.54 -1.11 0.00 0.00 175.55 173.67 1rcy s SER 34 N -2.94 0.00 0.00 2.29 1.04 -1.26 -4.35 113.70 108.48 1rcy s SER 34 Ca 0.30 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1rcy s SER 34 Cb -0.10 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1rcy s SER 34 CO 0.22 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1rcy n GLY 35 N 0.48 1.06 0.12 7.32 0.00 -1.26 -4.75 105.19 108.16 1rcy n GLY 35 Ca -0.18 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.55 1rcy n GLY 35 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1rcy h LYS 36 N 0.00 0.30 -5.13 1.61 5.09 -1.98 -3.43 116.57 113.03 1rcy h LYS 36 Ca 0.00 -0.12 -0.64 0.00 0.09 0.00 0.00 60.65 59.98 1rcy h LYS 36 Cb 0.00 -0.01 -0.33 0.00 0.10 0.00 0.00 32.23 31.99 1rcy h LYS 36 CO 0.00 0.60 -0.86 0.99 -2.09 0.00 0.00 179.45 178.09 1rcy s THR 37 N -4.65 1.82 0.09 0.07 2.01 -1.26 -1.05 115.64 112.66 1rcy s THR 37 Ca -0.14 -0.88 0.08 0.00 0.31 0.00 0.00 61.69 61.06 1rcy s THR 37 Cb 0.05 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 1rcy s THR 37 CO 0.73 0.51 -0.18 0.68 -0.69 0.00 0.00 174.62 175.67 1rcy s VAL 38 N 0.43 2.83 -0.25 3.82 -7.23 -0.32 -4.96 120.40 114.72 1rcy s VAL 38 Ca -0.18 -1.37 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 1rcy s VAL 38 Cb -0.17 -2.26 0.05 0.00 0.56 0.00 0.00 36.38 34.56 1rcy s VAL 38 CO 0.08 0.19 -0.10 -1.00 -0.31 0.00 0.00 175.10 173.96 1rcy s HIS 39 N -1.06 3.18 -0.22 2.82 3.76 -1.26 -0.79 115.29 121.73 1rcy s HIS 39 Ca 0.17 -2.10 -0.09 0.00 -0.15 0.00 0.00 55.06 52.88 1rcy s HIS 39 Cb -0.11 -1.97 -0.05 0.00 1.11 0.00 0.00 32.58 31.57 1rcy s HIS 39 CO 0.08 -0.85 0.12 0.08 -0.85 0.00 0.00 174.74 173.32 1rcy s VAL 40 N 1.17 5.11 -0.27 -0.90 1.01 -0.05 -1.92 120.40 124.55 1rcy s VAL 40 Ca -0.06 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1rcy s VAL 40 Cb -0.19 -3.35 0.07 0.00 0.00 0.00 0.00 36.38 32.91 1rcy s VAL 40 CO -0.05 0.39 -0.05 -0.69 0.00 0.00 0.00 175.10 174.70 1rcy s VAL 41 N 0.79 1.97 0.07 2.92 1.01 -1.26 -0.32 120.40 125.58 1rcy s VAL 41 Ca 0.06 -1.67 0.05 0.00 0.00 0.00 0.00 61.98 60.42 1rcy s VAL 41 Cb -0.13 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1rcy s VAL 41 CO 0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 175.10 174.88 1rcy s ALA 42 N 1.16 3.15 0.04 5.51 0.00 0.52 -4.20 121.76 127.93 1rcy s ALA 42 Ca -0.03 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 50.85 1rcy s ALA 42 Cb -0.19 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 1rcy s ALA 42 CO -0.07 0.66 -0.11 0.00 0.00 0.00 0.00 175.76 176.24 1rcy s ALA 43 N -1.21 0.91 -0.32 0.00 0.00 -0.37 -0.83 121.76 119.94 1rcy s ALA 43 Ca 0.22 -0.73 -0.17 0.00 0.00 0.00 0.00 51.96 51.28 1rcy s ALA 43 Cb -0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1rcy s ALA 43 CO 0.14 0.14 0.48 0.00 0.00 0.00 0.00 175.76 176.53 1rcy s ALA 44 N -0.90 3.51 -0.43 0.00 0.00 -0.38 -0.51 121.76 123.05 1rcy s ALA 44 Ca -0.01 -0.94 -0.31 0.00 0.00 0.00 0.00 51.96 50.70 1rcy s ALA 44 Cb -0.08 -2.94 0.04 0.00 0.00 0.00 0.00 23.12 20.14 1rcy s ALA 44 CO 0.01 -1.06 0.61 0.28 0.00 0.00 0.00 175.76 175.60 1rcy n VAL 45 N 5.33 -6.13 -2.36 0.00 0.31 -0.12 -3.00 118.33 112.36 1rcy n VAL 45 Ca -0.05 0.37 -0.36 0.00 -0.01 0.00 0.00 64.34 64.29 1rcy n VAL 45 Cb 0.49 -4.70 -0.01 0.00 -0.91 0.00 0.00 33.84 28.70 1rcy n VAL 45 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1rcy s LEU 46 N -2.43 3.90 0.13 7.52 1.43 -1.26 -4.08 118.68 123.89 1rcy s LEU 46 Ca 0.33 2.15 -0.35 0.00 -1.03 0.00 0.00 54.13 55.23 1rcy s LEU 46 Cb -0.05 -4.42 -0.16 0.00 0.03 0.00 0.00 46.19 41.59 1rcy s LEU 46 CO 0.81 -0.94 1.29 -2.65 0.23 0.00 0.00 176.35 175.09 1rcy n PRO 47 N -0.82 1.27 0.00 1.29 -0.02 -1.26 -1.41 135.00 134.05 1rcy n PRO 47 Ca 0.09 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1rcy n PRO 47 Cb 0.50 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1rcy n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rcy n GLY 48 N 2.37 2.97 3.92 -1.23 0.00 -1.26 -5.05 105.19 106.91 1rcy n GLY 48 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1rcy n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rcy s PHE 49 N -2.39 3.47 0.59 1.61 0.40 -0.50 -5.06 117.98 116.11 1rcy s PHE 49 Ca 0.00 0.66 -0.19 0.00 -0.60 0.00 0.00 56.93 56.80 1rcy s PHE 49 Cb 0.00 -2.33 -0.03 0.00 0.51 0.00 0.00 43.02 41.17 1rcy s PHE 49 CO 0.00 -0.33 1.25 -2.14 0.70 0.00 0.00 175.22 174.70 1rcy s PRO 50 N -4.71 2.92 -0.15 0.24 0.02 -1.26 -4.85 135.00 127.20 1rcy s PRO 50 Ca 0.48 1.95 -0.03 0.00 0.02 0.00 0.00 61.00 63.41 1rcy s PRO 50 Cb -0.10 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 1rcy s PRO 50 CO 0.43 -1.28 -0.05 0.12 -0.33 0.00 0.00 177.00 175.89 1rcy s PHE 51 N -1.49 2.98 -0.06 6.54 5.36 -1.26 -3.24 117.98 126.82 1rcy s PHE 51 Ca 0.77 -0.38 -0.02 0.00 -0.96 0.00 0.00 56.93 56.35 1rcy s PHE 51 Cb -0.34 -1.94 -0.04 0.00 -0.34 0.00 0.00 43.02 40.36 1rcy s PHE 51 CO 0.37 -0.08 0.05 -1.25 -1.46 0.00 0.00 175.22 172.85 1rcy s PRO 52 N 0.40 3.08 0.24 10.12 0.04 -1.26 -5.09 135.00 142.53 1rcy s PRO 52 Ca -0.05 -0.40 -0.22 0.00 0.04 0.00 0.00 61.00 60.38 1rcy s PRO 52 Cb -0.15 -2.88 0.04 0.00 0.04 0.00 0.00 34.50 31.55 1rcy s PRO 52 CO 0.03 0.69 0.70 -1.54 0.04 0.00 0.00 177.00 176.93 1rcy s SER 53 N -1.25 -0.34 -0.03 6.66 1.04 -1.20 -3.72 113.70 114.87 1rcy s SER 53 Ca 0.17 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.19 1rcy s SER 53 Cb -0.12 0.68 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 1rcy s SER 53 CO 0.07 -1.21 -0.03 -0.36 0.98 0.00 0.00 173.24 172.69 1rcy s PHE 54 N -3.83 3.02 -0.11 5.02 0.08 -1.26 -0.94 117.98 119.96 1rcy s PHE 54 Ca 0.08 0.06 0.03 0.00 0.12 0.00 0.00 56.93 57.23 1rcy s PHE 54 Cb -0.04 -1.68 0.00 0.00 -0.57 0.00 0.00 43.02 40.73 1rcy s PHE 54 CO 0.01 0.42 -0.23 -1.21 -0.10 0.00 0.00 175.22 174.11 1rcy s GLU 55 N -1.28 3.01 -0.09 0.44 8.01 0.33 -0.38 118.70 128.73 1rcy s GLU 55 Ca 0.17 -0.86 -0.00 0.00 0.01 0.00 0.00 54.97 54.28 1rcy s GLU 55 Cb -0.11 -2.32 0.02 0.00 -4.31 0.00 0.00 34.13 27.41 1rcy s GLU 55 CO 0.07 0.11 -0.05 0.08 0.01 0.00 0.00 175.26 175.48 1rcy s VAL 56 N 0.50 0.79 -1.43 2.63 1.01 -0.40 -1.23 120.40 122.27 1rcy s VAL 56 Ca -0.15 -0.16 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 1rcy s VAL 56 Cb -0.17 -0.85 0.05 0.00 0.00 0.00 0.00 36.38 35.40 1rcy s VAL 56 CO 0.05 0.32 1.03 1.57 0.00 0.00 0.00 175.10 178.07 1rcy n HIS 57 N 4.89 -2.46 -1.12 5.22 -0.00 -1.26 -1.79 115.22 118.70 1rcy n HIS 57 Ca -0.12 0.94 -0.04 0.00 -0.00 0.00 0.00 57.72 58.50 1rcy n HIS 57 Cb 0.50 -4.45 -0.02 0.00 -0.00 0.00 0.00 29.99 26.02 1rcy n HIS 57 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1rcy n ASP 58 N -2.94 -4.58 -4.52 0.26 -0.08 -1.26 -5.01 116.55 98.43 1rcy n ASP 58 Ca -0.02 0.10 -0.31 0.00 -1.51 0.00 0.00 54.79 53.05 1rcy n ASP 58 Cb 0.56 -2.44 -0.12 0.00 2.34 0.00 0.00 41.12 41.47 1rcy n ASP 58 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1rcy s LYS 59 N -1.77 2.22 -0.24 -0.67 -0.14 -0.74 -5.10 119.74 113.30 1rcy s LYS 59 Ca 0.00 -0.91 -0.26 0.00 -1.36 0.00 0.00 55.97 53.44 1rcy s LYS 59 Cb 0.00 -2.30 -0.00 0.00 -1.68 0.00 0.00 37.83 33.85 1rcy s LYS 59 CO 0.00 0.55 0.88 0.21 -0.76 0.00 0.00 175.35 176.24 1rcy s LYS 60 N -1.55 4.20 -1.50 1.68 2.20 -1.26 -1.28 119.74 122.24 1rcy s LYS 60 Ca 0.16 1.05 -0.03 0.00 -0.36 0.00 0.00 55.97 56.79 1rcy s LYS 60 Cb -0.11 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 1rcy s LYS 60 CO 0.07 -0.54 0.12 0.09 -0.36 0.00 0.00 175.35 174.73 1rcy n ASN 61 N 6.07 0.31 -4.80 1.43 3.02 0.49 -4.91 115.26 116.86 1rcy n ASN 61 Ca 0.07 -1.24 -0.32 0.00 -0.03 0.00 0.00 54.58 53.05 1rcy n ASN 61 Cb 0.47 -1.80 0.02 0.00 -0.61 0.00 0.00 39.78 37.85 1rcy n ASN 61 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1rcy s PRO 62 N -7.27 3.25 -0.06 3.52 0.04 -1.26 -4.69 135.00 128.52 1rcy s PRO 62 Ca 0.05 1.18 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 1rcy s PRO 62 Cb -0.03 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1rcy s PRO 62 CO 0.98 -0.86 1.01 0.99 0.04 0.00 0.00 177.00 179.16 1rcy s THR 63 N -2.52 4.78 -0.16 1.26 2.01 -0.67 -4.28 115.64 116.06 1rcy s THR 63 Ca 0.63 2.02 -0.12 0.00 0.31 0.00 0.00 61.69 64.53 1rcy s THR 63 Cb -0.16 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.01 1rcy s THR 63 CO 0.39 0.06 0.22 -0.76 -0.69 0.00 0.00 174.62 173.84 1rcy s LEU 64 N 1.66 4.27 -0.27 4.42 1.43 0.03 -1.07 118.68 129.15 1rcy s LEU 64 Ca 0.50 0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 54.00 1rcy s LEU 64 Cb -0.20 -2.25 0.02 0.00 0.03 0.00 0.00 46.19 43.79 1rcy s LEU 64 CO 0.22 0.18 0.00 -1.61 0.23 0.00 0.00 176.35 175.37 1rcy s GLU 65 N 0.14 2.96 -0.07 1.70 2.02 0.11 -0.53 118.70 125.02 1rcy s GLU 65 Ca 0.14 -0.92 0.05 0.00 0.02 0.00 0.00 54.97 54.26 1rcy s GLU 65 Cb -0.12 -3.16 -0.01 0.00 0.10 0.00 0.00 34.13 30.94 1rcy s GLU 65 CO 0.02 -0.42 -0.23 0.42 0.02 0.00 0.00 175.26 175.08 1rcy s ILE 66 N 1.40 2.25 0.17 -1.63 1.01 -0.16 -1.46 121.20 122.77 1rcy s ILE 66 Ca 0.01 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 59.37 1rcy s ILE 66 Cb -0.17 -1.84 -0.08 0.00 0.01 0.00 0.00 42.46 40.38 1rcy s ILE 66 CO -0.01 0.57 1.30 -2.16 0.00 0.00 0.00 174.94 174.64 1rcy s PRO 67 N -0.08 4.39 0.34 2.79 0.04 -1.26 -2.13 135.00 139.08 1rcy s PRO 67 Ca -0.05 2.01 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 1rcy s PRO 67 Cb -0.14 -3.22 -0.11 0.00 0.04 0.00 0.00 34.50 31.06 1rcy s PRO 67 CO 0.04 -0.27 1.54 0.00 0.04 0.00 0.00 177.00 178.35 1rcy n ALA 68 N 3.00 2.49 0.00 8.56 0.00 -1.26 -2.44 120.51 130.86 1rcy n ALA 68 Ca 0.07 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1rcy n ALA 68 Cb 0.43 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1rcy n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rcy n GLY 69 N 1.24 3.28 3.79 0.00 0.00 -1.26 -5.01 105.19 107.22 1rcy n GLY 69 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1rcy n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rcy s ALA 70 N -2.55 2.67 -0.23 4.61 0.00 -1.02 -5.00 121.76 120.23 1rcy s ALA 70 Ca 0.00 0.57 -0.19 0.00 0.00 0.00 0.00 51.96 52.34 1rcy s ALA 70 Cb 0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1rcy s ALA 70 CO 0.00 -0.87 0.57 0.99 0.00 0.00 0.00 175.76 176.45 1rcy s THR 71 N -2.19 5.05 -0.32 0.00 2.01 -0.22 -4.53 115.64 115.44 1rcy s THR 71 Ca 0.67 1.03 -0.12 0.00 0.31 0.00 0.00 61.69 63.58 1rcy s THR 71 Cb -0.19 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 1rcy s THR 71 CO 0.34 0.10 0.22 -0.69 -0.69 0.00 0.00 174.62 173.90 1rcy s VAL 72 N 2.10 5.30 -0.38 3.82 1.01 0.24 -1.17 120.40 131.32 1rcy s VAL 72 Ca 0.25 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 62.03 1rcy s VAL 72 Cb -0.16 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.59 1rcy s VAL 72 CO 0.09 0.09 0.25 -1.81 0.00 0.00 0.00 175.10 173.72 1rcy s ASP 73 N 1.74 5.94 -0.16 3.32 1.01 0.03 -0.53 116.67 128.01 1rcy s ASP 73 Ca 0.06 -0.82 -0.07 0.00 0.71 0.00 0.00 52.55 52.44 1rcy s ASP 73 Cb -0.17 -2.10 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 1rcy s ASP 73 CO 0.11 -0.37 0.06 -0.69 0.21 0.00 0.00 175.17 174.48 1rcy s VAL 74 N 1.64 4.77 -0.16 -1.27 1.01 0.20 -0.87 120.40 125.73 1rcy s VAL 74 Ca 0.04 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1rcy s VAL 74 Cb -0.19 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.09 1rcy s VAL 74 CO 0.09 0.50 -0.21 -0.89 0.00 0.00 0.00 175.10 174.58 1rcy s THR 75 N 0.06 2.06 -0.14 3.92 2.01 0.56 -1.17 115.64 122.94 1rcy s THR 75 Ca 0.05 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.10 1rcy s THR 75 Cb -0.12 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.55 1rcy s THR 75 CO 0.01 0.55 -0.15 0.12 -0.69 0.00 0.00 174.62 174.45 1rcy s PHE 76 N 1.02 2.77 -0.12 4.92 5.36 -0.28 -0.35 117.98 131.30 1rcy s PHE 76 Ca -0.02 -0.91 0.02 0.00 -0.96 0.00 0.00 56.93 55.06 1rcy s PHE 76 Cb -0.14 -1.85 0.01 0.00 -0.34 0.00 0.00 43.02 40.70 1rcy s PHE 76 CO -0.07 -0.38 -0.17 0.42 -1.46 0.00 0.00 175.22 173.56 1rcy s ILE 77 N 0.61 1.67 -0.52 3.12 1.01 -0.01 -1.34 121.20 125.73 1rcy s ILE 77 Ca -0.09 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 59.64 1rcy s ILE 77 Cb -0.16 -1.51 0.08 0.00 0.01 0.00 0.00 42.46 40.88 1rcy s ILE 77 CO 0.03 0.47 0.58 0.21 0.00 0.00 0.00 174.94 176.24 1rcy s ASN 78 N 0.97 6.19 0.00 3.58 2.47 -0.81 -1.25 114.94 126.10 1rcy s ASN 78 Ca -0.06 -1.21 0.23 0.00 0.42 0.00 0.00 52.86 52.24 1rcy s ASN 78 Cb -0.15 -2.26 0.41 0.00 -1.45 0.00 0.00 41.25 37.80 1rcy s ASN 78 CO -0.02 -0.89 1.39 0.35 -3.72 0.00 0.00 177.10 174.21 1rcy n THR 79 N 5.48 0.43 -3.18 -5.21 -2.24 -1.18 -4.20 114.28 104.18 1rcy n THR 79 Ca -0.09 -0.70 -0.42 0.00 -2.27 0.00 0.00 64.05 60.56 1rcy n THR 79 Cb 0.44 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 69.62 1rcy n THR 79 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1rcy s ASN 80 N -1.56 6.30 0.31 3.42 3.04 -1.16 -4.85 114.94 120.44 1rcy s ASN 80 Ca 0.37 -0.29 -0.29 0.00 0.04 0.00 0.00 52.86 52.69 1rcy s ASN 80 Cb 0.22 -2.29 -0.11 0.00 -1.54 0.00 0.00 41.25 37.54 1rcy s ASN 80 CO 0.32 -0.65 1.47 -1.59 -3.04 0.00 0.00 177.10 173.60 1rcy s LYS 81 N 2.57 4.21 0.00 0.43 -2.85 -1.26 -3.18 119.74 119.66 1rcy s LYS 81 Ca 0.20 2.42 0.00 0.00 -1.00 0.00 0.00 55.97 57.59 1rcy s LYS 81 Cb -0.15 -3.04 0.00 0.00 -2.06 0.00 0.00 37.83 32.58 1rcy s LYS 81 CO 0.16 -0.46 0.00 0.41 0.10 0.00 0.00 175.35 175.56 1rcy n GLY 82 N 1.48 1.65 3.09 0.59 0.00 -1.26 -5.00 105.19 105.74 1rcy n GLY 82 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 1rcy n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rcy s PHE 83 N -2.98 0.92 -0.80 1.61 0.40 -1.19 -5.05 117.98 110.89 1rcy s PHE 83 Ca 0.00 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 55.99 1rcy s PHE 83 Cb 0.00 -0.55 0.30 0.00 0.51 0.00 0.00 43.02 43.28 1rcy s PHE 83 CO 0.00 -0.01 1.18 0.41 0.70 0.00 0.00 175.22 177.50 1rcy n GLY 84 N 1.88 5.38 3.56 4.36 0.00 -1.26 -4.46 105.19 114.65 1rcy n GLY 84 Ca -0.19 -2.72 -0.32 0.00 0.00 0.00 0.00 46.02 42.79 1rcy n GLY 84 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rcy n HIS 85 N 0.47 -0.15 -4.39 1.61 8.25 -1.26 -3.07 115.22 116.67 1rcy n HIS 85 Ca 0.33 0.31 -0.20 0.00 -0.26 0.00 0.00 57.72 57.89 1rcy n HIS 85 Cb 0.36 -1.89 -0.10 0.00 1.12 0.00 0.00 29.99 29.47 1rcy n HIS 85 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1rcy s SER 86 N -2.38 2.60 -0.37 0.41 1.04 -1.26 -2.06 113.70 111.68 1rcy s SER 86 Ca 0.63 -1.14 0.01 0.00 0.48 0.00 0.00 55.95 55.93 1rcy s SER 86 Cb -0.22 -0.14 0.12 0.00 0.10 0.00 0.00 66.02 65.87 1rcy s SER 86 CO 0.62 -0.31 0.15 0.12 0.98 0.00 0.00 173.24 174.81 1rcy s PHE 87 N -3.04 2.15 -0.06 5.02 2.19 -1.26 -4.01 117.98 118.97 1rcy s PHE 87 Ca 0.27 -2.24 0.05 0.00 0.33 0.00 0.00 56.93 55.34 1rcy s PHE 87 Cb 0.03 -1.99 -0.01 0.00 -1.31 0.00 0.00 43.02 39.73 1rcy s PHE 87 CO 0.10 -0.85 -0.21 -0.51 1.83 0.00 0.00 175.22 175.58 1rcy s ASP 88 N 0.95 3.40 -0.19 6.13 1.01 -0.46 -1.74 116.67 125.76 1rcy s ASP 88 Ca 0.13 -0.42 -0.10 0.00 0.71 0.00 0.00 52.55 52.87 1rcy s ASP 88 Cb -0.21 -0.93 -0.05 0.00 1.01 0.00 0.00 42.92 42.74 1rcy s ASP 88 CO -0.12 0.26 0.14 -0.63 0.21 0.00 0.00 175.17 175.03 1rcy s ILE 89 N -0.23 5.41 0.15 0.77 1.01 0.73 -0.46 121.20 128.58 1rcy s ILE 89 Ca -0.01 0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.83 1rcy s ILE 89 Cb -0.13 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1rcy s ILE 89 CO 0.03 0.45 0.10 0.28 0.00 0.00 0.00 174.94 175.80 1rcy s THR 90 N 0.30 0.07 -0.54 2.92 -1.32 -0.03 -0.91 115.64 116.13 1rcy s THR 90 Ca 0.09 -1.89 0.22 0.00 -1.21 0.00 0.00 61.69 58.91 1rcy s THR 90 Cb -0.11 -2.16 -0.16 0.00 -1.51 0.00 0.00 72.50 68.56 1rcy s THR 90 CO -0.01 -0.31 0.92 0.29 -2.21 0.00 0.00 174.62 173.29 1rcy n LYS 91 N -0.16 0.33 -2.26 7.08 5.02 -1.26 -0.27 118.16 126.64 1rcy n LYS 91 Ca -0.03 -0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.80 1rcy n LYS 91 Cb 0.64 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 1rcy n LYS 91 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1rcy s LYS 92 N -3.24 4.26 0.64 1.97 2.36 -1.26 -4.81 119.74 119.66 1rcy s LYS 92 Ca 0.02 1.90 0.03 0.00 -2.55 0.00 0.00 55.97 55.36 1rcy s LYS 92 Cb 0.14 -3.68 0.09 0.00 -1.05 0.00 0.00 37.83 33.33 1rcy s LYS 92 CO 0.83 -0.63 0.88 0.20 1.55 0.00 0.00 175.35 178.18 1rcy s GLY 93 N 2.09 1.78 0.85 5.54 0.00 -1.26 -4.75 107.32 111.56 1rcy s GLY 93 Ca 0.62 -1.77 -0.11 0.00 0.00 0.00 0.00 44.72 43.46 1rcy s GLY 93 CO 0.24 -1.29 1.09 2.56 0.00 0.00 0.00 173.10 175.70 1rcy s PRO 94 N -4.91 1.67 0.50 2.90 0.04 -1.26 -4.64 135.00 129.30 1rcy s PRO 94 Ca 0.63 0.77 -0.19 0.00 0.04 0.00 0.00 61.00 62.25 1rcy s PRO 94 Cb -0.06 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 1rcy s PRO 94 CO 0.41 -1.94 1.02 -1.25 0.04 0.00 0.00 177.00 175.28 1rcy s PRO 95 N -5.02 3.78 -0.04 0.56 0.04 -1.26 -5.17 135.00 127.89 1rcy s PRO 95 Ca 0.62 1.25 -0.02 0.00 0.04 0.00 0.00 61.00 62.89 1rcy s PRO 95 Cb -0.16 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1rcy s PRO 95 CO 0.56 -0.43 0.07 0.71 0.04 0.00 0.00 177.00 177.94 1rcy s TYR 96 N -2.18 3.30 0.93 0.56 2.02 -1.26 -5.08 117.35 115.63 1rcy s TYR 96 Ca 0.65 0.24 -0.14 0.00 -0.37 0.00 0.00 57.07 57.46 1rcy s TYR 96 Cb -0.14 -1.77 0.15 0.00 -0.40 0.00 0.00 41.96 39.79 1rcy s TYR 96 CO 0.24 0.56 1.17 0.00 -1.57 0.00 0.00 175.55 175.95 1rcy s ALA 97 N -1.10 1.89 0.30 3.71 0.00 -1.26 -4.19 121.76 121.10 1rcy s ALA 97 Ca 0.20 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 1rcy s ALA 97 Cb -0.12 -2.96 0.48 0.00 0.00 0.00 0.00 23.12 20.52 1rcy s ALA 97 CO 0.10 -2.33 1.93 0.28 0.00 0.00 0.00 175.76 175.74 1rcy h VAL 98 N -1.55 1.13 -3.51 0.00 2.07 -1.98 -3.05 116.25 109.35 1rcy h VAL 98 Ca -0.48 -0.37 -0.68 0.00 0.82 0.00 0.00 66.70 65.98 1rcy h VAL 98 Cb 1.31 -0.05 -0.37 0.00 -1.52 0.00 0.00 31.29 30.67 1rcy h VAL 98 CO 0.56 0.20 -0.41 -0.04 0.02 0.00 0.00 177.57 177.90 1rcy s MET 99 N -5.93 2.48 0.27 1.57 -1.94 -1.26 -0.67 119.30 113.82 1rcy s MET 99 Ca -0.12 -2.59 -0.31 0.00 -1.71 0.00 0.00 55.69 50.96 1rcy s MET 99 Cb 0.19 -3.65 -0.12 0.00 2.01 0.00 0.00 34.83 33.26 1rcy s MET 99 CO 0.80 -1.17 1.63 -2.30 -0.01 0.00 0.00 175.02 173.98 1rcy n PRO 100 N 3.34 2.72 -3.36 2.03 -0.02 -1.15 -4.97 135.00 133.59 1rcy n PRO 100 Ca 0.08 0.97 -0.46 0.00 -2.02 0.00 0.00 63.50 62.08 1rcy n PRO 100 Cb 0.36 -2.77 -0.04 0.00 -0.02 0.00 0.00 33.50 31.03 1rcy n PRO 100 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1rcy s VAL 101 N 0.32 5.27 -0.04 -1.45 1.01 -1.26 -4.85 120.40 119.40 1rcy s VAL 101 Ca 0.67 -2.16 0.05 0.00 0.00 0.00 0.00 61.98 60.54 1rcy s VAL 101 Cb -0.50 -4.31 0.08 0.00 0.00 0.00 0.00 36.38 31.65 1rcy s VAL 101 CO 0.44 -0.95 1.02 2.30 0.00 0.00 0.00 175.10 177.91 1rcy n ILE 102 N 4.39 1.20 -2.25 2.22 -5.35 -1.26 -4.97 119.36 113.34 1rcy n ILE 102 Ca 0.04 -1.30 -0.39 0.00 -0.27 0.00 0.00 62.75 60.82 1rcy n ILE 102 Cb 0.44 0.31 -0.02 0.00 -1.74 0.00 0.00 39.64 38.63 1rcy n ILE 102 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1rcy s ASP 103 N -1.49 6.64 0.14 7.28 1.01 -1.26 -3.97 116.67 125.02 1rcy s ASP 103 Ca 0.09 2.45 -0.19 0.00 0.71 0.00 0.00 52.55 55.61 1rcy s ASP 103 Cb 0.08 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.31 1rcy s ASP 103 CO 0.01 -0.60 0.64 -2.16 0.21 0.00 0.00 175.17 173.27 1rcy s PRO 104 N -2.07 4.23 -0.10 8.23 0.04 -1.26 -4.99 135.00 139.08 1rcy s PRO 104 Ca 0.54 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 62.07 1rcy s PRO 104 Cb -0.34 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 1rcy s PRO 104 CO 0.43 0.54 1.14 0.42 0.04 0.00 0.00 177.00 179.56 1rcy s ILE 105 N -1.29 4.45 0.16 0.56 1.09 -1.25 -4.63 121.20 120.28 1rcy s ILE 105 Ca 0.35 1.75 -0.03 0.00 -1.10 0.00 0.00 60.65 61.62 1rcy s ILE 105 Cb -0.18 -4.13 -0.13 0.00 -1.06 0.00 0.00 42.46 36.96 1rcy s ILE 105 CO 0.21 -0.03 1.39 0.58 -0.10 0.00 0.00 174.94 176.99 1rcy h VAL 106 N 5.13 1.37 -1.73 2.92 2.07 -1.37 -3.47 116.25 121.17 1rcy h VAL 106 Ca -0.31 -2.18 0.04 0.00 0.82 0.00 0.00 66.70 65.07 1rcy h VAL 106 Cb 1.14 2.15 -0.21 0.00 -1.52 0.00 0.00 31.29 32.85 1rcy h VAL 106 CO 0.89 0.66 0.44 0.00 0.02 0.00 0.00 177.57 179.58 1rcy s ALA 107 N -3.56 -1.88 0.00 1.67 0.00 -1.24 -5.03 121.76 111.72 1rcy s ALA 107 Ca -0.06 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1rcy s ALA 107 Cb 0.10 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1rcy s ALA 107 CO 0.85 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.68 1rcy n GLY 108 N 0.73 -1.30 0.03 0.00 0.00 -1.26 -0.19 105.19 103.20 1rcy n GLY 108 Ca -0.13 -0.98 -0.03 0.00 0.00 0.00 0.00 46.02 44.88 1rcy n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rcy n THR 109 N 0.31 0.47 0.00 2.61 -2.24 -0.71 -4.99 114.28 109.73 1rcy n THR 109 Ca 0.00 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1rcy n THR 109 Cb 0.00 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 1rcy n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rcy n GLY 110 N 2.59 -1.12 3.74 3.38 0.00 -1.26 -4.08 105.19 108.44 1rcy n GLY 110 Ca -0.11 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 1rcy n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rcy s PHE 111 N -1.18 2.97 0.43 1.61 0.08 -1.26 -4.37 117.98 116.25 1rcy s PHE 111 Ca 0.00 0.81 -0.02 0.00 0.12 0.00 0.00 56.93 57.83 1rcy s PHE 111 Cb 0.00 -3.93 -0.03 0.00 -0.57 0.00 0.00 43.02 38.49 1rcy s PHE 111 CO 0.00 -3.21 0.68 -1.54 -0.10 0.00 0.00 175.22 171.05 1rcy s SER 112 N 0.68 6.20 0.45 1.36 1.04 -0.88 -4.93 113.70 117.63 1rcy s SER 112 Ca 0.64 0.65 -0.21 0.00 0.48 0.00 0.00 55.95 57.51 1rcy s SER 112 Cb -0.44 -2.05 -0.10 0.00 0.10 0.00 0.00 66.02 63.53 1rcy s SER 112 CO 0.40 -0.49 0.99 -2.16 0.98 0.00 0.00 173.24 172.96 1rcy s PRO 113 N -4.55 4.04 0.48 4.02 0.04 -1.26 -4.35 135.00 133.41 1rcy s PRO 113 Ca 0.45 1.25 -0.20 0.00 0.04 0.00 0.00 61.00 62.53 1rcy s PRO 113 Cb -0.10 -2.17 -0.08 0.00 0.04 0.00 0.00 34.50 32.19 1rcy s PRO 113 CO 0.40 -0.21 1.04 0.14 0.04 0.00 0.00 177.00 178.42 1rcy s VAL 114 N -2.06 3.74 0.25 -0.36 -7.23 -1.26 -4.56 120.40 108.92 1rcy s VAL 114 Ca 0.64 1.10 -0.31 0.00 -1.81 0.00 0.00 61.98 61.60 1rcy s VAL 114 Cb -0.13 -3.45 -0.13 0.00 0.56 0.00 0.00 36.38 33.23 1rcy s VAL 114 CO 0.17 -0.22 1.46 -2.65 -0.31 0.00 0.00 175.10 173.55 1rcy n PRO 115 N -0.94 2.19 -3.76 4.82 -0.02 -1.26 -4.81 135.00 131.23 1rcy n PRO 115 Ca 0.09 0.78 -0.13 0.00 -2.02 0.00 0.00 63.50 62.22 1rcy n PRO 115 Cb 0.52 -2.47 -0.08 0.00 -0.02 0.00 0.00 33.50 31.45 1rcy n PRO 115 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1rcy s LYS 116 N -0.33 0.71 -1.52 -0.52 2.20 -0.88 -4.75 119.74 114.64 1rcy s LYS 116 Ca 0.68 -0.27 -0.15 0.00 -0.36 0.00 0.00 55.97 55.86 1rcy s LYS 116 Cb -0.62 0.31 0.13 0.00 -1.51 0.00 0.00 37.83 36.15 1rcy s LYS 116 CO 0.48 -0.20 0.68 -0.25 -0.36 0.00 0.00 175.35 175.70 1rcy n ASP 117 N 1.09 -3.42 -0.13 1.43 8.00 -1.26 -0.70 116.55 121.56 1rcy n ASP 117 Ca -0.21 -0.77 -0.02 0.00 0.71 0.00 0.00 54.79 54.50 1rcy n ASP 117 Cb 0.57 -2.81 -0.01 0.00 -0.02 0.00 0.00 41.12 38.85 1rcy n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rcy n GLY 118 N -1.30 0.53 3.30 0.44 0.00 -1.26 -5.03 105.19 101.87 1rcy n GLY 118 Ca 0.05 -0.40 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 1rcy n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rcy s LYS 119 N -1.24 1.22 -0.01 1.61 1.02 0.12 -4.48 119.74 117.99 1rcy s LYS 119 Ca 0.00 -1.57 0.06 0.00 0.02 0.00 0.00 55.97 54.48 1rcy s LYS 119 Cb 0.00 -0.69 -0.02 0.00 -0.52 0.00 0.00 37.83 36.60 1rcy s LYS 119 CO 0.00 0.01 -0.20 -0.06 -0.92 0.00 0.00 175.35 174.18 1rcy s PHE 120 N -3.32 1.79 0.29 3.18 0.08 0.23 -2.07 117.98 118.16 1rcy s PHE 120 Ca 0.23 -0.34 -0.21 0.00 0.12 0.00 0.00 56.93 56.72 1rcy s PHE 120 Cb 0.04 -1.15 -0.09 0.00 -0.57 0.00 0.00 43.02 41.25 1rcy s PHE 120 CO 0.05 -0.03 0.83 0.20 -0.10 0.00 0.00 175.22 176.17 1rcy s GLY 121 N -0.50 2.62 0.13 4.36 0.00 -1.26 -0.92 107.32 111.74 1rcy s GLY 121 Ca 0.08 0.30 -0.11 0.00 0.00 0.00 0.00 44.72 44.99 1rcy s GLY 121 CO -0.01 0.66 0.28 -2.52 0.00 0.00 0.00 173.10 171.51 1rcy s TYR 122 N -1.68 0.14 0.12 1.90 1.13 -0.02 -1.93 117.35 117.01 1rcy s TYR 122 Ca 0.49 -0.53 -0.12 0.00 -1.41 0.00 0.00 57.07 55.50 1rcy s TYR 122 Cb -0.16 0.03 0.01 0.00 -1.10 0.00 0.00 41.96 40.75 1rcy s TYR 122 CO 0.21 -0.65 0.31 -0.08 -2.51 0.00 0.00 175.55 172.82 1rcy s THR 123 N -3.88 0.10 -0.01 -3.49 -1.32 -0.45 -0.71 115.64 105.87 1rcy s THR 123 Ca 0.09 -0.93 0.05 0.00 -1.21 0.00 0.00 61.69 59.69 1rcy s THR 123 Cb 0.03 -1.35 -0.01 0.00 -1.51 0.00 0.00 72.50 69.66 1rcy s THR 123 CO -0.07 -0.43 -0.17 -1.81 -2.21 0.00 0.00 174.62 169.92 1rcy s ASP 124 N -2.85 2.05 0.03 8.08 1.11 -1.26 -1.12 116.67 122.71 1rcy s ASP 124 Ca 0.06 -0.33 -0.09 0.00 0.18 0.00 0.00 52.55 52.37 1rcy s ASP 124 Cb 0.03 -0.22 0.00 0.00 1.07 0.00 0.00 42.92 43.80 1rcy s ASP 124 CO -0.09 0.20 0.19 0.72 1.18 0.00 0.00 175.17 177.38 1rcy s PHE 125 N -0.44 0.04 0.20 4.23 -0.12 -0.32 -5.01 117.98 116.56 1rcy s PHE 125 Ca 0.07 -0.24 0.06 0.00 -0.05 0.00 0.00 56.93 56.77 1rcy s PHE 125 Cb -0.07 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 1rcy s PHE 125 CO -0.00 -0.42 0.12 -0.08 -0.05 0.00 0.00 175.22 174.79 1rcy s THR 126 N -2.41 4.26 -0.18 -4.49 -1.32 -1.26 -0.63 115.64 109.61 1rcy s THR 126 Ca -0.06 -1.30 -0.12 0.00 -1.21 0.00 0.00 61.69 59.00 1rcy s THR 126 Cb -0.02 -3.21 0.06 0.00 -1.51 0.00 0.00 72.50 67.81 1rcy s THR 126 CO -0.03 -0.20 0.44 0.86 -2.21 0.00 0.00 174.62 173.48 1rcy s TRP 127 N -1.90 -0.60 -0.66 9.09 -0.00 0.31 -4.96 118.94 120.21 1rcy s TRP 127 Ca 0.31 1.32 0.05 0.00 -0.00 0.00 0.00 56.10 57.78 1rcy s TRP 127 Cb -0.09 0.26 0.16 0.00 -0.00 0.00 0.00 33.47 33.80 1rcy s TRP 127 CO 0.23 -0.32 0.44 -1.01 -0.00 0.00 0.00 176.95 176.29 1rcy s HIS 128 N 1.03 3.40 0.63 5.86 3.76 -1.26 -0.59 115.29 128.12 1rcy s HIS 128 Ca -0.06 -3.26 -0.14 0.00 -0.15 0.00 0.00 55.06 51.44 1rcy s HIS 128 Cb -0.06 -2.66 -0.02 0.00 1.11 0.00 0.00 32.58 30.95 1rcy s HIS 128 CO -0.09 -0.60 1.07 -1.25 -0.85 0.00 0.00 174.74 173.02 1rcy s PRO 129 N -1.16 3.11 0.22 8.40 0.04 -1.26 -5.04 135.00 139.30 1rcy s PRO 129 Ca 0.23 1.18 -0.00 0.00 0.04 0.00 0.00 61.00 62.45 1rcy s PRO 129 Cb -0.09 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1rcy s PRO 129 CO -0.13 -0.98 0.40 0.99 0.04 0.00 0.00 177.00 177.32 1rcy s THR 130 N -2.58 5.20 0.38 1.26 2.01 -1.26 -4.17 115.64 116.48 1rcy s THR 130 Ca 0.63 -0.43 -0.26 0.00 0.31 0.00 0.00 61.69 61.94 1rcy s THR 130 Cb -0.16 -3.75 -0.11 0.00 0.01 0.00 0.00 72.50 68.48 1rcy s THR 130 CO 0.42 -0.22 1.10 0.00 -0.69 0.00 0.00 174.62 175.24 1rcy n ALA 131 N -0.82 0.50 0.00 7.40 0.00 -1.26 -4.84 120.51 121.49 1rcy n ALA 131 Ca -0.05 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1rcy n ALA 131 Cb 0.54 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1rcy n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rcy n GLY 132 N 1.05 -0.75 3.47 0.00 0.00 0.73 -4.98 105.19 104.71 1rcy n GLY 132 Ca 0.08 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 1rcy n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rcy s THR 133 N -1.95 3.72 0.39 2.61 2.01 -1.26 -0.87 115.64 120.29 1rcy s THR 133 Ca 0.00 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.61 1rcy s THR 133 Cb 0.00 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 1rcy s THR 133 CO 0.00 0.50 0.09 -0.31 -0.69 0.00 0.00 174.62 174.21 1rcy s TYR 134 N 0.36 1.87 -0.02 4.92 1.51 0.53 -4.76 117.35 121.77 1rcy s TYR 134 Ca -0.06 -1.12 -0.02 0.00 -1.01 0.00 0.00 57.07 54.86 1rcy s TYR 134 Cb -0.15 -1.27 0.01 0.00 -0.11 0.00 0.00 41.96 40.44 1rcy s TYR 134 CO 0.04 -0.11 0.07 0.71 -1.11 0.00 0.00 175.55 175.14 1rcy s TYR 135 N -3.18 -0.06 -0.19 2.71 1.51 0.62 -0.34 117.35 118.42 1rcy s TYR 135 Ca 0.26 0.15 -0.07 0.00 -1.01 0.00 0.00 57.07 56.40 1rcy s TYR 135 Cb 0.05 0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.88 1rcy s TYR 135 CO 0.13 -0.05 0.05 1.52 -1.11 0.00 0.00 175.55 176.10 1rcy s TYR 136 N -0.04 3.20 0.11 2.71 1.13 -0.73 -0.85 117.35 122.88 1rcy s TYR 136 Ca -0.01 -0.04 0.00 0.00 -1.41 0.00 0.00 57.07 55.61 1rcy s TYR 136 Cb -0.01 -2.10 -0.04 0.00 -1.10 0.00 0.00 41.96 38.71 1rcy s TYR 136 CO 0.00 0.05 -0.01 0.14 -2.51 0.00 0.00 175.55 173.21 1rcy s VAL 137 N 0.59 0.44 -0.15 -3.49 -7.23 0.39 -1.49 120.40 109.46 1rcy s VAL 137 Ca 0.03 -1.91 -0.07 0.00 -1.81 0.00 0.00 61.98 58.22 1rcy s VAL 137 Cb -0.13 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 1rcy s VAL 137 CO 0.01 -0.71 0.08 0.00 -0.31 0.00 0.00 175.10 174.17 1rcy n GLN 139 N 2.92 0.76 -1.84 0.00 6.02 -1.26 -3.87 117.38 120.11 1rcy n GLN 139 Ca -0.18 -0.32 -0.42 0.00 -0.01 0.00 0.00 57.00 56.07 1rcy n GLN 139 Cb 0.53 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.27 1rcy n GLN 139 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1rcy s ILE 140 N -2.46 2.88 -0.23 5.09 1.01 -1.26 -4.82 121.20 121.41 1rcy s ILE 140 Ca 0.28 0.31 -0.42 0.00 0.00 0.00 0.00 60.65 60.83 1rcy s ILE 140 Cb 0.20 -3.20 -0.18 0.00 0.01 0.00 0.00 42.46 39.28 1rcy s ILE 140 CO 0.48 -0.00 1.48 -2.65 0.00 0.00 0.00 174.94 174.24 1rcy n PRO 141 N 5.81 0.51 0.00 2.79 -0.02 -1.26 -1.60 135.00 141.23 1rcy n PRO 141 Ca 0.17 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1rcy n PRO 141 Cb 0.40 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1rcy n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rcy n GLY 142 N 3.24 3.03 0.13 -1.23 0.00 0.16 -4.93 105.19 105.59 1rcy n GLY 142 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 1rcy n GLY 142 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1rcy h HIS 143 N 0.00 -0.21 -0.76 1.61 3.86 -1.58 -1.33 115.15 116.73 1rcy h HIS 143 Ca 0.00 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1rcy h HIS 143 Cb 0.00 0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 1rcy h HIS 143 CO 0.00 -0.04 0.46 0.00 0.86 0.00 0.00 177.93 179.21 1rcy h ALA 144 N 0.47 0.97 0.00 2.45 0.00 -1.74 0.01 119.26 121.42 1rcy h ALA 144 Ca -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1rcy h ALA 144 Cb 0.27 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1rcy h ALA 144 CO 0.04 0.44 -0.05 0.00 0.00 0.00 0.00 179.25 179.68 1rcy h ALA 145 N 1.25 1.56 -0.67 0.00 0.00 -1.69 -1.80 119.26 117.91 1rcy h ALA 145 Ca 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1rcy h ALA 145 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1rcy h ALA 145 CO -0.05 0.06 0.00 0.25 0.00 0.00 0.00 179.25 179.51 1rcy n THR 146 N -3.96 1.79 0.00 0.00 -2.24 -0.52 -4.93 114.28 104.42 1rcy n THR 146 Ca -0.03 -1.19 0.00 0.00 -2.27 0.00 0.00 64.05 60.57 1rcy n THR 146 Cb 0.14 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1rcy n THR 146 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rcy n GLY 147 N 1.20 0.92 3.37 3.38 0.00 -0.68 -4.68 105.19 108.71 1rcy n GLY 147 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 1rcy n GLY 147 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1rcy n MET 148 N -1.45 3.34 -3.64 1.61 0.00 -0.11 -4.80 117.12 112.07 1rcy n MET 148 Ca 0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 57.70 54.03 1rcy n MET 148 Cb 0.00 -3.14 -0.02 0.00 0.00 0.00 0.00 33.22 30.06 1rcy n MET 148 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1rcy s PHE 149 N 2.07 -0.21 0.26 1.12 -0.71 -1.26 -2.86 117.98 116.40 1rcy s PHE 149 Ca 0.45 0.00 -0.12 0.00 -1.04 0.00 0.00 56.93 56.22 1rcy s PHE 149 Cb 0.01 0.59 -0.00 0.00 -1.21 0.00 0.00 43.02 42.41 1rcy s PHE 149 CO 0.02 -0.64 0.50 0.20 -1.34 0.00 0.00 175.22 173.96 1rcy s GLY 150 N -2.73 0.60 -0.00 1.99 0.00 -0.56 -4.81 107.32 101.82 1rcy s GLY 150 Ca 0.09 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1rcy s GLY 150 CO -0.03 -0.63 0.05 1.25 0.00 0.00 0.00 173.10 173.74 1rcy s LYS 151 N -3.84 2.95 -0.13 2.90 2.20 -1.26 -1.77 119.74 120.78 1rcy s LYS 151 Ca 0.22 -0.54 0.01 0.00 -0.36 0.00 0.00 55.97 55.31 1rcy s LYS 151 Cb -0.01 -2.78 0.02 0.00 -1.51 0.00 0.00 37.83 33.55 1rcy s LYS 151 CO 0.10 0.64 -0.17 0.42 -0.36 0.00 0.00 175.35 175.98 1rcy s ILE 152 N -1.15 1.70 -0.29 5.43 1.01 0.54 -0.79 121.20 127.65 1rcy s ILE 152 Ca 0.21 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 60.09 1rcy s ILE 152 Cb -0.12 -1.55 0.03 0.00 0.01 0.00 0.00 42.46 40.84 1rcy s ILE 152 CO 0.12 0.48 0.01 -0.69 0.00 0.00 0.00 174.94 174.87 1rcy s VAL 153 N 1.11 3.27 -0.38 2.92 1.01 0.31 -0.34 120.40 128.29 1rcy s VAL 153 Ca -0.02 -1.12 -0.11 0.00 0.00 0.00 0.00 61.98 60.73 1rcy s VAL 153 Cb -0.14 -2.78 0.04 0.00 0.00 0.00 0.00 36.38 33.50 1rcy s VAL 153 CO -0.05 -0.00 0.21 -0.69 0.00 0.00 0.00 175.10 174.57 1rcy s VAL 154 N 1.34 4.49 0.00 2.92 1.01 -0.05 -0.99 120.40 129.12 1rcy s VAL 154 Ca -0.02 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1rcy s VAL 154 Cb -0.18 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1rcy s VAL 154 CO -0.01 -0.28 0.00 0.29 0.00 0.00 0.00 175.10 175.10