#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ecz n GLU 2 N 0.00 -0.71 -0.10 0.00 0.28 -1.26 -4.78 120.64 114.07 1ecz n GLU 2 Ca 0.00 0.09 0.05 0.00 -0.16 0.00 0.00 57.16 57.14 1ecz n GLU 2 Cb 0.00 -1.09 0.10 0.00 1.43 0.00 0.00 31.44 31.88 1ecz n GLU 2 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1ecz n SER 3 N -1.01 -0.01 -4.11 -1.84 7.64 -1.26 -2.94 113.62 110.09 1ecz n SER 3 Ca -0.12 0.48 -0.35 0.00 1.01 0.00 0.00 58.87 59.89 1ecz n SER 3 Cb 0.35 -0.19 -0.13 0.00 -1.01 0.00 0.00 64.21 63.23 1ecz n SER 3 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ecz s VAL 4 N -4.91 2.94 0.00 0.44 0.11 -1.26 -5.08 120.40 112.64 1ecz s VAL 4 Ca -0.03 -1.89 0.00 0.00 -2.93 0.00 0.00 61.98 57.12 1ecz s VAL 4 Cb 0.09 -2.93 0.00 0.00 -1.53 0.00 0.00 36.38 32.00 1ecz s VAL 4 CO 0.22 -0.46 0.00 0.00 -3.33 0.00 0.00 175.10 171.53 1ecz n GLN 5 N 4.52 0.00 -1.65 1.54 3.00 -1.15 -4.84 117.38 118.80 1ecz n GLN 5 Ca -0.05 0.00 -0.58 0.00 -0.01 0.00 0.00 57.00 56.36 1ecz n GLN 5 Cb 0.42 -0.20 -0.08 0.00 0.00 0.00 0.00 30.24 30.39 1ecz n GLN 5 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1ecz n PRO 6 N 0.00 0.96 -0.19 -1.09 -0.02 -1.26 -4.85 135.00 128.55 1ecz n PRO 6 Ca 0.00 0.34 -0.01 0.00 -2.02 0.00 0.00 63.50 61.81 1ecz n PRO 6 Cb 0.00 -2.06 0.07 0.00 -0.02 0.00 0.00 33.50 31.50 1ecz n PRO 6 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1ecz h LEU 7 N 7.89 -0.36 -1.84 2.45 5.85 -1.95 0.12 115.31 127.47 1ecz h LEU 7 Ca -0.41 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1ecz h LEU 7 Cb 1.33 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 42.65 1ecz h LEU 7 CO 0.98 -0.13 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.50 1ecz h GLU 8 N 0.07 0.00 -1.86 1.25 4.39 -1.89 -2.50 114.58 114.04 1ecz h GLU 8 Ca 0.29 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.87 1ecz h GLU 8 Cb 0.45 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.05 1ecz h GLU 8 CO -0.52 0.12 0.11 1.63 -1.16 0.00 0.00 179.01 179.18 1ecz n LYS 9 N -4.18 1.35 0.03 2.33 5.02 0.42 -3.13 118.16 120.00 1ecz n LYS 9 Ca -0.02 -0.60 0.00 0.00 -2.02 0.00 0.00 58.31 55.66 1ecz n LYS 9 Cb 0.20 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1ecz n LYS 9 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1ecz n ILE 10 N 1.21 0.00 -3.57 -0.18 5.41 -0.95 -4.82 119.36 116.46 1ecz n ILE 10 Ca 0.13 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.77 1ecz n ILE 10 Cb 0.55 -0.31 -0.05 0.00 -0.71 0.00 0.00 39.64 39.13 1ecz n ILE 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ecz s ALA 11 N -2.00 -1.91 0.00 -1.39 0.00 -1.15 -5.05 121.76 110.27 1ecz s ALA 11 Ca 0.00 1.55 -0.02 0.00 0.00 0.00 0.00 51.96 53.49 1ecz s ALA 11 Cb 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 23.12 22.43 1ecz s ALA 11 CO 0.00 -0.33 1.55 -0.35 0.00 0.00 0.00 175.76 176.63 1ecz n PRO 12 N 0.72 0.74 -1.67 0.00 -0.04 -1.26 -4.38 135.00 129.10 1ecz n PRO 12 Ca -0.11 -0.29 -0.47 0.00 -0.04 0.00 0.00 63.50 62.59 1ecz n PRO 12 Cb 0.58 -1.57 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 1ecz n PRO 12 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ecz n TYR 13 N 2.43 2.29 -1.46 0.54 4.01 -1.26 -4.86 117.16 118.85 1ecz n TYR 13 Ca 0.13 0.17 -0.43 0.00 -0.16 0.00 0.00 57.90 57.60 1ecz n TYR 13 Cb 0.35 -2.59 -0.01 0.00 -0.31 0.00 0.00 39.34 36.78 1ecz n TYR 13 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1ecz n PRO 14 N 4.59 0.57 -2.37 -0.72 -0.02 -1.26 -4.94 135.00 130.85 1ecz n PRO 14 Ca 0.19 0.20 -0.34 0.00 -2.02 0.00 0.00 63.50 61.54 1ecz n PRO 14 Cb 0.29 -1.43 -0.02 0.00 -0.02 0.00 0.00 33.50 32.32 1ecz n PRO 14 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1ecz s GLN 15 N -1.41 3.61 -0.12 -0.52 -1.52 -1.26 -4.95 119.66 113.49 1ecz s GLN 15 Ca 0.62 1.35 -0.29 0.00 -1.95 0.00 0.00 55.36 55.09 1ecz s GLN 15 Cb -0.69 -2.07 -0.06 0.00 -0.22 0.00 0.00 33.01 29.97 1ecz s GLN 15 CO 0.58 -0.59 2.12 0.00 -0.25 0.00 0.00 175.29 177.15 1ecz s ALA 16 N -2.08 3.06 1.09 6.09 0.00 -1.26 -4.97 121.76 123.69 1ecz s ALA 16 Ca 0.67 0.99 -0.09 0.00 0.00 0.00 0.00 51.96 53.52 1ecz s ALA 16 Cb -0.17 -3.99 0.14 0.00 0.00 0.00 0.00 23.12 19.10 1ecz s ALA 16 CO 0.25 -2.32 0.56 -1.91 0.00 0.00 0.00 175.76 172.35 1ecz n GLU 17 N 8.28 -1.65 -2.89 0.00 2.13 -1.25 -4.99 120.64 120.27 1ecz n GLU 17 Ca 0.26 -0.89 -0.41 0.00 0.66 0.00 0.00 57.16 56.78 1ecz n GLU 17 Cb 0.43 -0.76 -0.04 0.00 0.27 0.00 0.00 31.44 31.35 1ecz n GLU 17 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1ecz s LYS 18 N -4.26 4.36 0.00 5.31 2.20 -1.26 -3.63 119.74 122.46 1ecz s LYS 18 Ca 0.35 1.06 0.00 0.00 -0.36 0.00 0.00 55.97 57.02 1ecz s LYS 18 Cb -0.03 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1ecz s LYS 18 CO 0.26 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 1ecz n GLY 19 N 3.31 0.70 3.60 5.54 0.00 -1.26 -5.06 105.19 112.02 1ecz n GLY 19 Ca 0.04 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 1ecz n GLY 19 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ecz s MET 20 N -0.97 0.48 0.10 1.61 0.23 -1.24 -2.74 119.30 116.77 1ecz s MET 20 Ca 0.00 0.19 0.01 0.00 -1.03 0.00 0.00 55.69 54.86 1ecz s MET 20 Cb 0.00 0.23 0.01 0.00 -1.53 0.00 0.00 34.83 33.54 1ecz s MET 20 CO 0.00 -0.14 0.09 0.36 -2.03 0.00 0.00 175.02 173.31 1ecz n LYS 21 N 0.94 1.23 -3.91 3.16 2.85 -0.19 -3.82 118.16 118.42 1ecz n LYS 21 Ca -0.09 -0.61 -0.29 0.00 -1.05 0.00 0.00 58.31 56.27 1ecz n LYS 21 Cb 0.58 0.04 -0.16 0.00 -0.65 0.00 0.00 35.03 34.83 1ecz n LYS 21 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1ecz s ARG 22 N -2.43 1.52 -0.18 -1.58 3.52 -1.26 -3.33 118.95 115.21 1ecz s ARG 22 Ca 0.07 -0.66 -0.17 0.00 -0.13 0.00 0.00 55.73 54.84 1ecz s ARG 22 Cb -0.01 -2.20 -0.04 0.00 -1.56 0.00 0.00 34.95 31.15 1ecz s ARG 22 CO 0.05 -0.48 0.44 -0.65 -0.81 0.00 0.00 175.30 173.85 1ecz s GLN 23 N 1.56 4.22 -0.23 5.12 -1.52 0.59 -4.95 119.66 124.45 1ecz s GLN 23 Ca -0.01 0.31 0.02 0.00 -1.95 0.00 0.00 55.36 53.73 1ecz s GLN 23 Cb -0.16 -3.52 0.05 0.00 -0.22 0.00 0.00 33.01 29.16 1ecz s GLN 23 CO -0.08 -0.01 -0.14 0.08 -0.25 0.00 0.00 175.29 174.89 1ecz s VAL 24 N 1.21 2.11 -0.34 1.09 1.01 -1.26 -0.87 120.40 123.35 1ecz s VAL 24 Ca 0.22 -1.38 -0.10 0.00 0.00 0.00 0.00 61.98 60.72 1ecz s VAL 24 Cb -0.15 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.12 1ecz s VAL 24 CO 0.09 0.17 0.17 -0.63 0.00 0.00 0.00 175.10 174.89 1ecz s ILE 25 N 1.18 4.55 -0.33 2.22 1.09 0.69 -4.96 121.20 125.63 1ecz s ILE 25 Ca -0.04 -0.62 0.02 0.00 -1.10 0.00 0.00 60.65 58.91 1ecz s ILE 25 Cb -0.18 -3.41 0.09 0.00 -1.06 0.00 0.00 42.46 37.90 1ecz s ILE 25 CO -0.08 -0.06 0.03 -1.58 -0.10 0.00 0.00 174.94 173.16 1ecz s GLN 26 N 1.58 1.83 0.34 2.79 2.00 -1.26 0.75 119.66 127.69 1ecz s GLN 26 Ca 0.03 -1.69 -0.25 0.00 -2.00 0.00 0.00 55.36 51.45 1ecz s GLN 26 Cb -0.18 -3.19 -0.10 0.00 0.80 0.00 0.00 33.01 30.34 1ecz s GLN 26 CO 0.06 -0.84 0.95 -0.51 -0.50 0.00 0.00 175.29 174.45 1ecz s LEU 27 N 1.02 4.29 0.22 3.68 1.43 -1.26 -4.78 118.68 123.28 1ecz s LEU 27 Ca 0.04 1.83 -0.30 0.00 -1.03 0.00 0.00 54.13 54.68 1ecz s LEU 27 Cb -0.20 -4.08 -0.08 0.00 0.03 0.00 0.00 46.19 41.86 1ecz s LEU 27 CO -0.06 -0.12 1.13 0.28 0.23 0.00 0.00 176.35 177.81 1ecz s THR 28 N -1.67 3.63 0.20 5.49 -1.32 -1.26 -4.51 115.64 116.19 1ecz s THR 28 Ca 0.52 1.47 -0.30 0.00 -1.21 0.00 0.00 61.69 62.17 1ecz s THR 28 Cb -0.18 -3.94 -0.09 0.00 -1.51 0.00 0.00 72.50 66.79 1ecz s THR 28 CO 0.23 0.29 1.29 -2.16 -2.21 0.00 0.00 174.62 172.06 1ecz s PRO 29 N -0.74 4.40 0.40 7.08 0.04 -1.26 -4.80 135.00 140.12 1ecz s PRO 29 Ca 0.49 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.64 1ecz s PRO 29 Cb -0.31 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 30.97 1ecz s PRO 29 CO 0.38 -0.23 0.08 -0.65 0.04 0.00 0.00 177.00 176.62 1ecz s GLN 30 N -0.17 2.09 0.29 4.56 -1.52 -1.26 -5.05 119.66 118.60 1ecz s GLN 30 Ca 0.56 -1.92 0.03 0.00 -1.95 0.00 0.00 55.36 52.08 1ecz s GLN 30 Cb -0.36 -1.84 0.44 0.00 -0.22 0.00 0.00 33.01 31.02 1ecz s GLN 30 CO 0.38 -0.04 1.73 0.93 -0.25 0.00 0.00 175.29 178.04 1ecz h GLU 31 N 1.64 0.43 -2.83 2.91 5.08 -2.06 -3.41 114.58 116.33 1ecz h GLU 31 Ca -0.43 -0.16 -0.30 0.00 -1.00 0.00 0.00 59.36 57.47 1ecz h GLU 31 Cb 1.25 -0.02 -0.35 0.00 0.50 0.00 0.00 28.75 30.12 1ecz h GLU 31 CO 0.73 0.67 -0.62 0.34 -1.00 0.00 0.00 179.01 179.13 1ecz s ASP 32 N -6.83 0.98 0.00 1.42 2.15 -1.26 -5.02 116.67 108.11 1ecz s ASP 32 Ca -0.06 0.13 0.16 0.00 0.43 0.00 0.00 52.55 53.21 1ecz s ASP 32 Cb 0.14 0.37 0.34 0.00 -0.30 0.00 0.00 42.92 43.47 1ecz s ASP 32 CO 0.78 -0.28 1.25 -0.62 -0.17 0.00 0.00 175.17 176.14 1ecz n GLU 33 N 5.33 2.31 -0.02 4.34 1.02 -1.26 -4.48 120.64 127.87 1ecz n GLU 33 Ca -0.05 -2.03 -0.17 0.00 -0.02 0.00 0.00 57.16 54.89 1ecz n GLU 33 Cb 0.50 -1.36 -0.07 0.00 -0.02 0.00 0.00 31.44 30.49 1ecz n GLU 33 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1ecz h SER 34 N 3.00 0.93 0.69 1.62 4.64 -1.95 -2.81 113.55 119.67 1ecz h SER 34 Ca 0.00 -0.61 -0.04 0.00 -0.47 0.00 0.00 61.79 60.66 1ecz h SER 34 Cb 0.78 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1ecz h SER 34 CO 0.00 1.41 -0.21 0.71 -0.87 0.00 0.00 176.83 177.87 1ecz h THR 35 N 0.52 0.62 -4.20 2.95 1.35 -1.96 -3.45 112.91 108.75 1ecz h THR 35 Ca -0.06 -0.97 -0.48 0.00 -0.55 0.00 0.00 66.41 64.36 1ecz h THR 35 Cb 1.42 1.63 0.02 0.00 -1.73 0.00 0.00 68.15 69.50 1ecz h THR 35 CO 0.16 0.21 0.38 -0.76 -0.25 0.00 0.00 175.52 175.26 1ecz s LEU 36 N -7.04 3.59 0.06 3.87 1.43 -1.06 -2.19 118.68 117.34 1ecz s LEU 36 Ca -0.01 1.59 -0.15 0.00 -1.03 0.00 0.00 54.13 54.53 1ecz s LEU 36 Cb 0.11 -4.51 0.03 0.00 0.03 0.00 0.00 46.19 41.85 1ecz s LEU 36 CO 0.63 -0.67 0.34 -0.54 0.23 0.00 0.00 176.35 176.34 1ecz s LYS 37 N -4.13 0.89 -0.11 1.70 1.02 -0.74 -4.00 119.74 114.36 1ecz s LYS 37 Ca 0.59 -0.52 0.03 0.00 0.02 0.00 0.00 55.97 56.09 1ecz s LYS 37 Cb -0.11 0.39 0.00 0.00 -0.52 0.00 0.00 37.83 37.59 1ecz s LYS 37 CO 0.33 -0.30 -0.23 0.54 -0.92 0.00 0.00 175.35 174.77 1ecz s VAL 38 N -2.81 2.02 -0.36 3.17 0.11 0.04 -0.81 120.40 121.76 1ecz s VAL 38 Ca -0.03 -0.99 -0.17 0.00 -2.93 0.00 0.00 61.98 57.86 1ecz s VAL 38 Cb -0.00 -1.76 -0.00 0.00 -1.53 0.00 0.00 36.38 33.08 1ecz s VAL 38 CO -0.05 0.55 0.45 -0.70 -3.33 0.00 0.00 175.10 172.02 1ecz s GLU 39 N 0.50 3.54 -0.18 1.54 2.12 0.19 -2.04 118.70 124.37 1ecz s GLU 39 Ca -0.15 -0.32 -0.23 0.00 0.36 0.00 0.00 54.97 54.62 1ecz s GLU 39 Cb -0.17 -3.83 -0.02 0.00 0.26 0.00 0.00 34.13 30.37 1ecz s GLU 39 CO 0.05 -0.63 0.74 -0.51 -0.54 0.00 0.00 175.26 174.37 1ecz s LEU 40 N 2.24 4.17 -0.32 2.70 1.43 0.16 -1.48 118.68 127.57 1ecz s LEU 40 Ca 0.15 1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 54.27 1ecz s LEU 40 Cb -0.16 -3.08 0.07 0.00 0.03 0.00 0.00 46.19 43.05 1ecz s LEU 40 CO 0.13 -0.33 0.04 -0.76 0.23 0.00 0.00 176.35 175.66 1ecz s LEU 41 N 1.99 4.23 -0.86 1.79 1.43 0.10 -4.84 118.68 122.52 1ecz s LEU 41 Ca 0.34 -1.50 0.00 0.00 -1.03 0.00 0.00 54.13 51.94 1ecz s LEU 41 Cb -0.16 -1.73 0.22 0.00 0.03 0.00 0.00 46.19 44.55 1ecz s LEU 41 CO 0.12 -0.33 0.79 -0.38 0.23 0.00 0.00 176.35 176.78 1ecz n ILE 42 N 4.58 2.92 -3.87 -0.59 5.41 -1.26 -0.53 119.36 126.01 1ecz n ILE 42 Ca -0.10 -5.15 0.00 0.00 1.00 0.00 0.00 62.75 58.50 1ecz n ILE 42 Cb 0.43 -2.30 0.00 0.00 -0.71 0.00 0.00 39.64 37.06 1ecz n ILE 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ecz n GLY 43 N 2.01 4.40 2.98 7.39 0.00 -1.18 -2.56 105.19 118.23 1ecz n GLY 43 Ca 0.23 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 1ecz n GLY 43 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ecz s GLN 44 N -1.62 0.14 -0.21 1.61 -2.07 -0.99 -0.82 119.66 115.70 1ecz s GLN 44 Ca 0.00 0.31 -0.28 0.00 -1.82 0.00 0.00 55.36 53.57 1ecz s GLN 44 Cb 0.00 -0.06 -0.04 0.00 -1.09 0.00 0.00 33.01 31.82 1ecz s GLN 44 CO 0.00 -0.10 2.02 0.99 -1.32 0.00 0.00 175.29 176.88 1ecz s THR 45 N 0.70 3.20 0.33 3.63 2.01 -1.26 -2.42 115.64 121.83 1ecz s THR 45 Ca -0.05 0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.23 1ecz s THR 45 Cb -0.07 -3.24 -0.06 0.00 0.01 0.00 0.00 72.50 69.14 1ecz s THR 45 CO -0.04 -0.13 -0.04 -0.76 -0.69 0.00 0.00 174.62 172.96 1ecz s LEU 46 N 7.13 2.57 -0.53 4.42 1.43 -1.07 -4.91 118.68 127.72 1ecz s LEU 46 Ca 0.91 -1.26 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1ecz s LEU 46 Cb -0.31 -0.74 0.14 0.00 0.03 0.00 0.00 46.19 45.31 1ecz s LEU 46 CO 0.35 -0.37 0.36 -0.70 0.23 0.00 0.00 176.35 176.22 1ecz s GLU 47 N -3.72 2.43 0.00 1.70 2.12 -1.26 -1.21 118.70 118.76 1ecz s GLU 47 Ca 0.32 -2.11 0.00 0.00 0.36 0.00 0.00 54.97 53.54 1ecz s GLU 47 Cb 0.05 -3.78 0.00 0.00 0.26 0.00 0.00 34.13 30.66 1ecz s GLU 47 CO 0.15 -1.16 0.00 1.33 -0.54 0.00 0.00 175.26 175.04 1ecz n VAL 48 N 4.22 0.00 0.00 3.70 0.24 -1.03 -4.89 118.33 120.57 1ecz n VAL 48 Ca 0.01 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1ecz n VAL 48 Cb 0.40 -0.57 0.00 0.00 -1.47 0.00 0.00 33.84 32.21 1ecz n VAL 48 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1ecz n ASP 49 N -2.13 0.00 -0.04 -1.34 5.68 -1.26 -2.62 116.55 114.83 1ecz n ASP 49 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 1ecz n ASP 49 Cb 0.00 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 39.84 1ecz n ASP 49 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ecz s ASN 51 N -6.25 5.24 0.21 0.00 2.20 -1.26 -5.01 114.94 110.07 1ecz s ASN 51 Ca -0.13 1.68 -0.30 0.00 -0.94 0.00 0.00 52.86 53.17 1ecz s ASN 51 Cb 0.07 -2.50 -0.08 0.00 -2.00 0.00 0.00 41.25 36.74 1ecz s ASN 51 CO 0.79 -1.54 1.08 -1.48 -2.94 0.00 0.00 177.10 173.01 1ecz s LEU 52 N -5.53 4.53 0.01 3.54 2.34 -1.26 -4.96 118.68 117.34 1ecz s LEU 52 Ca 0.59 2.12 0.08 0.00 0.06 0.00 0.00 54.13 56.99 1ecz s LEU 52 Cb -0.15 -3.61 -0.02 0.00 -0.56 0.00 0.00 46.19 41.85 1ecz s LEU 52 CO 0.54 -0.15 -0.25 -1.00 -1.06 0.00 0.00 176.35 174.43 1ecz s HIS 53 N -0.63 2.37 -0.10 3.48 3.76 -1.26 -3.39 115.29 119.52 1ecz s HIS 53 Ca 0.47 -0.40 0.04 0.00 -0.15 0.00 0.00 55.06 55.02 1ecz s HIS 53 Cb -0.30 -1.47 0.00 0.00 1.11 0.00 0.00 32.58 31.93 1ecz s HIS 53 CO 0.36 0.06 -0.22 0.50 -0.85 0.00 0.00 174.74 174.59 1ecz s ARG 54 N -0.90 2.85 0.48 1.40 3.52 0.27 -4.65 118.95 121.92 1ecz s ARG 54 Ca 0.11 -0.81 -0.19 0.00 -0.13 0.00 0.00 55.73 54.71 1ecz s ARG 54 Cb -0.10 -2.18 -0.09 0.00 -1.56 0.00 0.00 34.95 31.02 1ecz s ARG 54 CO 0.01 0.14 0.99 -1.17 -0.81 0.00 0.00 175.30 174.46 1ecz s LEU 55 N 0.43 3.78 0.09 -0.88 2.96 0.18 0.32 118.68 125.55 1ecz s LEU 55 Ca -0.17 1.71 0.03 0.00 -0.22 0.00 0.00 54.13 55.48 1ecz s LEU 55 Cb -0.17 -4.53 -0.04 0.00 0.50 0.00 0.00 46.19 41.94 1ecz s LEU 55 CO 0.07 -0.59 0.10 -0.83 -1.32 0.00 0.00 176.35 173.78 1ecz s GLY 56 N -2.47 2.00 0.00 7.98 0.00 -1.23 -4.08 107.32 109.52 1ecz s GLY 56 Ca 0.62 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 44.33 1ecz s GLY 56 CO 0.22 -1.00 0.00 0.61 0.00 0.00 0.00 173.10 172.93 1ecz n GLY 57 N 0.35 4.70 3.74 0.20 0.00 -1.20 -2.45 105.19 110.52 1ecz n GLY 57 Ca -0.08 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 1ecz n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ecz s LYS 58 N -4.03 4.05 -0.37 1.61 2.20 -1.15 -4.80 119.74 117.24 1ecz s LYS 58 Ca 0.00 -0.22 -0.14 0.00 -0.36 0.00 0.00 55.97 55.25 1ecz s LYS 58 Cb 0.00 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1ecz s LYS 58 CO 0.00 0.37 0.29 -1.17 -0.36 0.00 0.00 175.35 174.48 1ecz s LEU 59 N 0.15 4.78 -0.18 5.43 2.96 -1.26 -2.71 118.68 127.85 1ecz s LEU 59 Ca 0.09 -0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1ecz s LEU 59 Cb -0.11 -2.18 -0.01 0.00 0.50 0.00 0.00 46.19 44.38 1ecz s LEU 59 CO -0.01 -0.36 -0.06 -1.83 -1.32 0.00 0.00 176.35 172.77 1ecz s GLU 60 N 1.76 3.46 0.23 1.98 -1.05 0.35 -4.91 118.70 120.52 1ecz s GLU 60 Ca 0.07 -0.61 -0.30 0.00 -0.15 0.00 0.00 54.97 53.98 1ecz s GLU 60 Cb -0.18 -2.90 -0.09 0.00 -0.44 0.00 0.00 34.13 30.52 1ecz s GLU 60 CO 0.11 0.00 1.22 1.21 0.95 0.00 0.00 175.26 178.75 1ecz s ASN 61 N 0.95 7.04 -0.05 0.83 3.84 -1.26 -0.90 114.94 125.39 1ecz s ASN 61 Ca -0.01 2.35 -0.00 0.00 0.21 0.00 0.00 52.86 55.41 1ecz s ASN 61 Cb -0.15 -2.62 0.03 0.00 -0.55 0.00 0.00 41.25 37.96 1ecz s ASN 61 CO 0.01 -0.38 -0.00 -0.54 -2.79 0.00 0.00 177.10 173.39 1ecz s LYS 62 N -0.72 0.52 0.43 0.43 1.02 0.16 -4.93 119.74 116.66 1ecz s LYS 62 Ca 0.51 0.07 -0.10 0.00 0.02 0.00 0.00 55.97 56.47 1ecz s LYS 62 Cb -0.34 -0.77 -0.06 0.00 -0.52 0.00 0.00 37.83 36.13 1ecz s LYS 62 CO 0.40 -0.21 0.79 -0.08 -0.92 0.00 0.00 175.35 175.34 1ecz s THR 63 N 1.49 4.79 -0.90 2.17 -1.32 -1.26 -0.88 115.64 119.72 1ecz s THR 63 Ca -0.03 0.60 -0.15 0.00 -1.21 0.00 0.00 61.69 60.90 1ecz s THR 63 Cb -0.13 -3.76 0.20 0.00 -1.51 0.00 0.00 72.50 67.30 1ecz s THR 63 CO -0.03 -0.61 0.94 -0.22 -2.21 0.00 0.00 174.62 172.49 1ecz s LEU 64 N -4.05 6.15 0.38 9.08 2.96 0.52 -4.91 118.68 128.81 1ecz s LEU 64 Ca 0.51 -2.61 -0.24 0.00 -0.22 0.00 0.00 54.13 51.57 1ecz s LEU 64 Cb -0.10 -2.27 -0.13 0.00 0.50 0.00 0.00 46.19 44.19 1ecz s LEU 64 CO 0.34 -0.70 0.73 -1.84 -1.32 0.00 0.00 176.35 173.56 1ecz n GLU 65 N 4.68 0.82 -0.52 1.98 0.28 -1.26 -0.22 120.64 126.40 1ecz n GLU 65 Ca 0.19 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.49 1ecz n GLU 65 Cb 0.47 -1.64 0.00 0.00 1.43 0.00 0.00 31.44 31.70 1ecz n GLU 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ecz n GLY 66 N 1.57 1.70 0.00 -1.84 0.00 -1.26 -4.62 105.19 100.75 1ecz n GLY 66 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1ecz n GLY 66 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ecz n TRP 67 N -2.00 0.00 -0.97 1.61 7.02 -0.70 -5.04 117.44 117.35 1ecz n TRP 67 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1ecz n TRP 67 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1ecz n TRP 67 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ecz n GLY 68 N 0.41 0.59 3.75 6.99 0.00 0.70 -5.00 105.19 112.62 1ecz n GLY 68 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ecz n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ecz s TYR 69 N -2.52 2.48 -0.04 1.61 1.51 -1.21 -4.66 117.35 114.53 1ecz s TYR 69 Ca 0.00 1.37 0.07 0.00 -1.01 0.00 0.00 57.07 57.50 1ecz s TYR 69 Cb 0.00 -3.10 -0.02 0.00 -0.11 0.00 0.00 41.96 38.73 1ecz s TYR 69 CO 0.00 -2.08 -0.25 -0.51 -1.11 0.00 0.00 175.55 171.60 1ecz s ASP 70 N -3.46 3.12 -0.08 2.29 1.11 -1.26 0.20 116.67 118.59 1ecz s ASP 70 Ca 0.62 -0.47 -0.15 0.00 0.18 0.00 0.00 52.55 52.73 1ecz s ASP 70 Cb -0.17 -0.59 0.03 0.00 1.07 0.00 0.00 42.92 43.26 1ecz s ASP 70 CO 0.56 0.29 0.36 -0.72 1.18 0.00 0.00 175.17 176.84 1ecz s TYR 71 N -0.42 -0.32 0.27 4.23 -0.85 -0.06 -4.33 117.35 115.87 1ecz s TYR 71 Ca 0.04 0.69 0.07 0.00 -0.52 0.00 0.00 57.07 57.35 1ecz s TYR 71 Cb -0.12 0.13 -0.03 0.00 0.38 0.00 0.00 41.96 42.33 1ecz s TYR 71 CO 0.01 -0.30 0.26 0.71 -1.52 0.00 0.00 175.55 174.71 1ecz s TYR 72 N -0.53 3.15 0.03 -3.49 1.51 -0.03 0.38 117.35 118.38 1ecz s TYR 72 Ca -0.06 -0.13 0.03 0.00 -1.01 0.00 0.00 57.07 55.90 1ecz s TYR 72 Cb -0.04 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.27 1ecz s TYR 72 CO 0.03 0.42 -0.10 0.08 -1.11 0.00 0.00 175.55 174.87 1ecz s VAL 73 N -2.13 0.77 -0.13 0.71 1.01 -0.08 -0.16 120.40 120.40 1ecz s VAL 73 Ca 0.35 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 1ecz s VAL 73 Cb -0.08 -0.74 0.04 0.00 0.00 0.00 0.00 36.38 35.59 1ecz s VAL 73 CO 0.26 -0.13 -0.03 0.12 0.00 0.00 0.00 175.10 175.33 1ecz s PHE 74 N -0.93 1.23 0.00 5.22 5.36 0.11 -0.50 117.98 128.47 1ecz s PHE 74 Ca -0.03 -0.67 0.00 0.00 -0.96 0.00 0.00 56.93 55.27 1ecz s PHE 74 Cb -0.08 -1.09 0.00 0.00 -0.34 0.00 0.00 43.02 41.51 1ecz s PHE 74 CO 0.01 -0.50 0.00 -0.40 -1.46 0.00 0.00 175.22 172.87 1ecz n ASP 75 N 5.00 0.96 -2.58 6.13 5.75 -1.10 -3.99 116.55 126.72 1ecz n ASP 75 Ca -0.10 0.00 -0.08 0.00 -0.01 0.00 0.00 54.79 54.60 1ecz n ASP 75 Cb 0.49 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1ecz n ASP 75 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1ecz n LYS 76 N 0.00 -2.64 -1.70 0.11 5.02 -1.26 -2.92 118.16 114.77 1ecz n LYS 76 Ca 0.00 0.29 -0.38 0.00 -2.02 0.00 0.00 58.31 56.20 1ecz n LYS 76 Cb 0.00 -4.85 -0.03 0.00 -0.02 0.00 0.00 35.03 30.13 1ecz n LYS 76 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ecz s VAL 77 N -2.35 3.11 0.46 -0.18 0.11 -1.26 -3.26 120.40 117.02 1ecz s VAL 77 Ca 0.05 0.07 0.02 0.00 -2.93 0.00 0.00 61.98 59.19 1ecz s VAL 77 Cb -0.03 -3.26 0.01 0.00 -1.53 0.00 0.00 36.38 31.57 1ecz s VAL 77 CO 0.06 -0.24 0.66 -0.94 -3.33 0.00 0.00 175.10 171.30 1ecz s SER 78 N 10.61 5.68 0.15 3.54 1.04 -1.02 -4.94 113.70 128.74 1ecz s SER 78 Ca 0.90 0.05 -0.31 0.00 0.48 0.00 0.00 55.95 57.07 1ecz s SER 78 Cb -0.18 -1.21 -0.10 0.00 0.10 0.00 0.00 66.02 64.64 1ecz s SER 78 CO 0.26 -0.79 1.60 -0.55 0.98 0.00 0.00 173.24 174.74 1ecz s SER 79 N -4.28 6.58 -0.24 7.02 0.15 -1.26 -3.55 113.70 118.12 1ecz s SER 79 Ca 0.51 2.60 -0.39 0.00 0.70 0.00 0.00 55.95 59.37 1ecz s SER 79 Cb -0.10 -2.59 -0.15 0.00 -1.71 0.00 0.00 66.02 61.47 1ecz s SER 79 CO 0.36 -0.85 1.74 -0.81 1.20 0.00 0.00 173.24 174.89 1ecz n PRO 80 N 4.35 1.26 -3.07 5.44 -0.04 -1.26 -4.58 135.00 137.09 1ecz n PRO 80 Ca 0.14 0.46 -0.39 0.00 -0.04 0.00 0.00 63.50 63.67 1ecz n PRO 80 Cb 0.39 -2.16 -0.05 0.00 -0.04 0.00 0.00 33.50 31.64 1ecz n PRO 80 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ecz s VAL 81 N 3.44 5.06 0.22 0.52 -7.23 0.15 -4.77 120.40 117.79 1ecz s VAL 81 Ca 0.97 1.39 -0.03 0.00 -1.81 0.00 0.00 61.98 62.50 1ecz s VAL 81 Cb -1.03 -4.02 -0.03 0.00 0.56 0.00 0.00 36.38 31.87 1ecz s VAL 81 CO 0.63 0.26 0.22 -0.94 -0.31 0.00 0.00 175.10 174.97 1ecz s SER 82 N 0.75 0.18 0.92 4.85 1.04 -1.26 -0.57 113.70 119.61 1ecz s SER 82 Ca 0.36 -1.31 -0.14 0.00 0.48 0.00 0.00 55.95 55.35 1ecz s SER 82 Cb -0.17 0.44 0.18 0.00 0.10 0.00 0.00 66.02 66.57 1ecz s SER 82 CO 0.17 -0.93 1.27 0.42 0.98 0.00 0.00 173.24 175.16 1ecz s THR 83 N -4.07 2.02 -0.36 2.02 -4.23 -1.22 -5.04 115.64 104.75 1ecz s THR 83 Ca 0.35 -0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.78 1ecz s THR 83 Cb 0.05 -2.93 0.15 0.00 1.34 0.00 0.00 72.50 71.10 1ecz s THR 83 CO 0.12 0.00 0.24 -0.04 -0.54 0.00 0.00 174.62 174.40 1ecz s MET 84 N -5.77 0.62 0.00 3.99 1.00 -1.26 -4.93 119.30 112.95 1ecz s MET 84 Ca 0.72 -1.50 0.27 0.00 0.00 0.00 0.00 55.69 55.18 1ecz s MET 84 Cb -0.04 -1.31 0.84 0.00 0.00 0.00 0.00 34.83 34.31 1ecz s MET 84 CO 0.52 -1.25 1.62 -1.33 0.00 0.00 0.00 175.02 174.57 1ecz n MET 85 N 3.77 1.50 -2.48 2.03 2.81 -1.26 -4.96 117.12 118.54 1ecz n MET 85 Ca 0.16 -0.95 -0.05 0.00 -1.81 0.00 0.00 57.70 55.06 1ecz n MET 85 Cb 0.40 -1.48 0.02 0.00 -0.71 0.00 0.00 33.22 31.45 1ecz n MET 85 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ecz n ALA 86 N 0.08 -0.45 -0.87 3.04 0.00 -1.26 -5.05 120.51 116.01 1ecz n ALA 86 Ca 0.16 0.02 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 1ecz n ALA 86 Cb 0.38 -1.20 0.08 0.00 0.00 0.00 0.00 19.45 18.71 1ecz n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ecz n PRO 88 N 0.94 0.00 0.00 0.00 -0.04 -1.26 -4.66 135.00 129.98 1ecz n PRO 88 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1ecz n PRO 88 Cb 0.66 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 1ecz n PRO 88 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ecz n ASP 89 N -0.75 0.00 0.00 3.54 -0.08 -1.26 -4.84 116.55 113.16 1ecz n ASP 89 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1ecz n ASP 89 Cb 0.00 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.45 1ecz n ASP 89 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ecz n GLY 90 N -1.79 1.82 2.04 0.27 0.00 -1.26 -4.83 105.19 101.42 1ecz n GLY 90 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 1ecz n GLY 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ecz n LYS 91 N 0.00 -1.41 -1.87 1.61 3.00 -1.26 -4.64 118.16 113.60 1ecz n LYS 91 Ca 0.00 0.61 -0.42 0.00 -0.00 0.00 0.00 58.31 58.50 1ecz n LYS 91 Cb 0.00 -4.71 -0.03 0.00 0.00 0.00 0.00 35.03 30.29 1ecz n LYS 91 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1ecz s LYS 92 N -2.62 4.18 0.34 1.64 1.02 -1.26 -4.76 119.74 118.30 1ecz s LYS 92 Ca 0.00 2.43 0.06 0.00 0.02 0.00 0.00 55.97 58.48 1ecz s LYS 92 Cb 0.00 -3.30 -0.07 0.00 -0.52 0.00 0.00 37.83 33.94 1ecz s LYS 92 CO 0.00 -0.69 -0.00 -1.21 -0.92 0.00 0.00 175.35 172.53 1ecz s GLU 93 N 1.71 1.74 -0.36 1.68 2.02 -1.08 -4.96 118.70 119.46 1ecz s GLU 93 Ca 0.73 -1.95 -0.13 0.00 0.02 0.00 0.00 54.97 53.64 1ecz s GLU 93 Cb -0.44 -1.28 -0.00 0.00 0.10 0.00 0.00 34.13 32.51 1ecz s GLU 93 CO 0.32 -0.05 0.25 0.15 0.02 0.00 0.00 175.26 175.94 1ecz s LYS 94 N -3.76 3.28 0.01 1.61 1.02 -1.26 -2.48 119.74 118.16 1ecz s LYS 94 Ca 0.34 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.57 1ecz s LYS 94 Cb 0.07 -3.82 -0.01 0.00 -0.52 0.00 0.00 37.83 33.55 1ecz s LYS 94 CO 0.16 -0.55 -0.09 -1.59 -0.92 0.00 0.00 175.35 172.36 1ecz s LYS 95 N 1.69 0.69 -0.75 1.68 -2.85 -0.35 -4.93 119.74 114.92 1ecz s LYS 95 Ca 0.05 -0.44 -0.26 0.00 -1.00 0.00 0.00 55.97 54.32 1ecz s LYS 95 Cb -0.18 -0.64 -0.11 0.00 -2.06 0.00 0.00 37.83 34.84 1ecz s LYS 95 CO 0.10 0.17 2.34 0.12 0.10 0.00 0.00 175.35 178.17 1ecz s PHE 96 N -0.48 1.22 -0.84 1.78 5.36 -1.26 -2.59 117.98 121.17 1ecz s PHE 96 Ca 0.01 1.73 -0.22 0.00 -0.96 0.00 0.00 56.93 57.49 1ecz s PHE 96 Cb -0.05 -3.55 0.08 0.00 -0.34 0.00 0.00 43.02 39.16 1ecz s PHE 96 CO 0.00 -1.78 1.17 0.08 -1.46 0.00 0.00 175.22 173.23 1ecz s VAL 97 N 13.66 4.28 0.81 3.12 1.01 -1.01 -4.82 120.40 137.44 1ecz s VAL 97 Ca 0.90 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 1ecz s VAL 97 Cb -0.13 -4.83 0.11 0.00 0.00 0.00 0.00 36.38 31.53 1ecz s VAL 97 CO 0.10 -1.64 1.15 0.42 0.00 0.00 0.00 175.10 175.14 1ecz s THR 98 N 4.04 2.10 0.15 3.92 -4.23 -1.26 -2.36 115.64 118.00 1ecz s THR 98 Ca 0.33 -0.13 0.05 0.00 -1.18 0.00 0.00 61.69 60.76 1ecz s THR 98 Cb -0.08 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 1ecz s THR 98 CO -0.00 0.00 0.08 0.00 -0.54 0.00 0.00 174.62 174.16 1ecz s ALA 99 N -3.52 3.46 -0.55 3.99 0.00 -1.06 0.48 121.76 124.56 1ecz s ALA 99 Ca 0.65 -1.21 -0.24 0.00 0.00 0.00 0.00 51.96 51.16 1ecz s ALA 99 Cb -0.09 -1.28 0.04 0.00 0.00 0.00 0.00 23.12 21.79 1ecz s ALA 99 CO 0.48 0.56 0.96 -0.47 0.00 0.00 0.00 175.76 177.29 1ecz s TYR 100 N -1.65 2.78 -0.20 0.00 5.04 -1.26 -4.69 117.35 117.38 1ecz s TYR 100 Ca 0.29 0.01 0.22 0.00 -2.44 0.00 0.00 57.07 55.16 1ecz s TYR 100 Cb -0.10 -4.11 -0.10 0.00 0.35 0.00 0.00 41.96 38.00 1ecz s TYR 100 CO 0.22 -1.37 0.88 1.28 -1.34 0.00 0.00 175.55 175.21 1ecz n LEU 101 N 7.53 0.58 0.00 6.97 4.77 -1.26 -4.93 117.00 130.67 1ecz n LEU 101 Ca 0.02 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1ecz n LEU 101 Cb 0.48 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1ecz n LEU 101 CO 0.64 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1ecz n GLY 102 N 1.22 2.57 0.11 -0.72 0.00 -1.26 -2.53 105.19 104.58 1ecz n GLY 102 Ca -0.01 0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 1ecz n GLY 102 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ecz h ASP 103 N 0.00 0.00 0.15 1.61 3.58 -2.01 -3.21 116.42 116.54 1ecz h ASP 103 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ecz h ASP 103 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1ecz h ASP 103 CO 0.00 0.73 0.00 0.00 -2.88 0.00 0.00 179.24 177.09 1ecz n ALA 104 N -2.35 2.41 -0.61 -0.78 0.00 -1.05 -3.27 120.51 114.86 1ecz n ALA 104 Ca -0.00 -0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.38 1ecz n ALA 104 Cb 0.75 -1.42 0.32 0.00 0.00 0.00 0.00 19.45 19.10 1ecz n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ecz n GLY 105 N 0.71 2.91 2.50 0.00 0.00 -1.21 -4.47 105.19 105.63 1ecz n GLY 105 Ca 0.17 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 1ecz n GLY 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ecz n MET 106 N 0.87 2.70 -1.25 1.61 2.00 -1.20 -0.66 117.12 121.19 1ecz n MET 106 Ca 0.24 -4.06 -0.36 0.00 0.00 0.00 0.00 57.70 53.52 1ecz n MET 106 Cb 0.84 -1.93 0.08 0.00 0.00 0.00 0.00 33.22 32.20 1ecz n MET 106 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1ecz n LEU 107 N -0.39 1.44 -4.73 4.03 4.77 -0.87 -4.55 117.00 116.71 1ecz n LEU 107 Ca 0.29 0.59 -0.41 0.00 -0.03 0.00 0.00 56.01 56.45 1ecz n LEU 107 Cb 0.74 -1.26 -0.04 0.00 -2.33 0.00 0.00 43.42 40.53 1ecz n LEU 107 CO 0.31 -2.87 0.72 -0.60 -1.33 0.00 0.00 177.39 173.61 1ecz s ARG 108 N -2.96 4.64 -0.22 3.23 3.52 -1.26 -0.78 118.95 125.12 1ecz s ARG 108 Ca 0.67 1.55 -0.29 0.00 -0.13 0.00 0.00 55.73 57.53 1ecz s ARG 108 Cb -0.34 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 29.66 1ecz s ARG 108 CO 0.57 0.12 1.76 -0.47 -0.81 0.00 0.00 175.30 176.46 1ecz s TYR 109 N 0.09 1.86 -0.32 5.12 6.14 -1.26 -4.81 117.35 124.18 1ecz s TYR 109 Ca 0.49 0.47 -0.01 0.00 0.64 0.00 0.00 57.07 58.67 1ecz s TYR 109 Cb -0.25 -4.04 0.10 0.00 0.42 0.00 0.00 41.96 38.19 1ecz s TYR 109 CO 0.31 -3.30 0.11 1.21 0.64 0.00 0.00 175.55 174.52 1ecz s ASN 110 N 5.14 3.98 0.00 4.32 2.47 -1.26 -4.82 114.94 124.76 1ecz s ASN 110 Ca 0.78 -1.70 0.19 0.00 0.42 0.00 0.00 52.86 52.55 1ecz s ASN 110 Cb -0.27 -0.85 0.89 0.00 -1.45 0.00 0.00 41.25 39.56 1ecz s ASN 110 CO 0.32 -0.41 1.60 -1.54 -3.72 0.00 0.00 177.10 173.35 1ecz n SER 111 N 4.76 0.00 0.15 -4.21 3.41 -1.26 -2.47 113.62 114.00 1ecz n SER 111 Ca -0.01 0.26 0.03 0.00 -0.26 0.00 0.00 58.87 58.89 1ecz n SER 111 Cb 0.41 -0.40 0.08 0.00 -0.26 0.00 0.00 64.21 64.05 1ecz n SER 111 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1ecz h LYS 112 N 0.00 0.00 -5.52 4.33 1.57 -1.93 -3.46 116.57 111.56 1ecz h LYS 112 Ca 0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.34 1ecz h LYS 112 Cb 0.25 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.35 1ecz h LYS 112 CO 0.00 0.50 -0.79 -0.51 -0.57 0.00 0.00 179.45 178.09 1ecz s LEU 113 N -6.58 2.30 -0.13 2.94 1.43 -1.03 -5.11 118.68 112.50 1ecz s LEU 113 Ca 0.03 -0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 52.30 1ecz s LEU 113 Cb 0.08 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.67 1ecz s LEU 113 CO 0.74 -0.06 0.45 -2.16 0.23 0.00 0.00 176.35 175.54 1ecz s PRO 114 N -1.91 4.31 -0.28 1.29 0.04 -1.26 -4.59 135.00 132.59 1ecz s PRO 114 Ca 0.01 0.38 -0.29 0.00 0.04 0.00 0.00 61.00 61.14 1ecz s PRO 114 Cb -0.09 -3.45 0.01 0.00 0.04 0.00 0.00 34.50 31.01 1ecz s PRO 114 CO 0.03 0.14 1.12 0.42 0.04 0.00 0.00 177.00 178.75 1ecz s ILE 115 N 0.70 4.47 -0.30 0.56 1.01 0.23 -4.89 121.20 122.98 1ecz s ILE 115 Ca 0.24 1.72 -0.02 0.00 0.00 0.00 0.00 60.65 62.59 1ecz s ILE 115 Cb -0.15 -4.32 0.05 0.00 0.01 0.00 0.00 42.46 38.05 1ecz s ILE 115 CO 0.09 -0.39 -0.01 -0.69 0.00 0.00 0.00 174.94 173.95 1ecz s VAL 116 N 3.65 2.96 -0.11 2.92 1.01 -1.26 -0.22 120.40 129.34 1ecz s VAL 116 Ca 0.48 -1.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 1ecz s VAL 116 Cb -0.14 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1ecz s VAL 116 CO 0.14 -0.10 0.04 -0.69 0.00 0.00 0.00 175.10 174.49 1ecz s VAL 117 N 1.25 4.65 -0.43 2.92 1.01 -0.05 -0.85 120.40 128.90 1ecz s VAL 117 Ca -0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 1ecz s VAL 117 Cb -0.20 -3.00 0.11 0.00 0.00 0.00 0.00 36.38 33.29 1ecz s VAL 117 CO -0.01 0.58 0.25 -0.31 0.00 0.00 0.00 175.10 175.61 1ecz s TYR 118 N -0.66 3.51 0.21 5.22 2.02 0.78 -0.30 117.35 128.13 1ecz s TYR 118 Ca 0.11 -2.16 0.11 0.00 -0.37 0.00 0.00 57.07 54.76 1ecz s TYR 118 Cb -0.12 -3.28 -0.05 0.00 -0.40 0.00 0.00 41.96 38.11 1ecz s TYR 118 CO 0.02 -0.97 -0.22 0.95 -1.57 0.00 0.00 175.55 173.76 1ecz s THR 119 N 1.24 2.33 1.41 -0.71 -4.23 -1.21 0.08 115.64 114.55 1ecz s THR 119 Ca 0.07 -2.11 -0.23 0.00 -1.18 0.00 0.00 61.69 58.24 1ecz s THR 119 Cb -0.24 -2.14 0.36 0.00 1.34 0.00 0.00 72.50 71.82 1ecz s THR 119 CO -0.03 -0.21 0.94 -2.16 -0.54 0.00 0.00 174.62 172.63 1ecz s PRO 120 N -2.89 -2.85 0.03 3.99 0.04 -1.26 -1.02 135.00 131.04 1ecz s PRO 120 Ca 0.22 0.11 -0.10 0.00 0.04 0.00 0.00 61.00 61.28 1ecz s PRO 120 Cb -0.07 -1.39 -0.04 0.00 0.04 0.00 0.00 34.50 33.04 1ecz s PRO 120 CO 0.11 -4.82 1.15 -0.44 0.04 0.00 0.00 177.00 173.04 1ecz h ASP 121 N -3.38 -0.44 -0.85 6.66 3.32 -1.84 -3.24 116.42 116.65 1ecz h ASP 121 Ca -0.43 0.05 0.09 0.00 0.02 0.00 0.00 57.03 56.75 1ecz h ASP 121 Cb 1.34 0.16 -0.07 0.00 0.22 0.00 0.00 39.33 40.98 1ecz h ASP 121 CO 0.28 -0.16 0.50 -0.55 -1.72 0.00 0.00 179.24 177.60 1ecz h ASN 122 N -0.21 0.74 -3.98 6.45 7.08 -1.93 -3.44 115.58 120.29 1ecz h ASN 122 Ca -0.00 0.04 -0.53 0.00 -3.08 0.00 0.00 56.30 52.73 1ecz h ASN 122 Cb 0.21 -0.11 0.09 0.00 -2.08 0.00 0.00 38.32 36.43 1ecz h ASN 122 CO -0.08 0.43 0.58 -0.69 -2.08 0.00 0.00 177.43 175.60 1ecz s VAL 123 N -6.03 2.63 0.44 6.14 1.01 -1.22 -4.78 120.40 118.58 1ecz s VAL 123 Ca -0.12 0.52 0.06 0.00 0.00 0.00 0.00 61.98 62.44 1ecz s VAL 123 Cb 0.19 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1ecz s VAL 123 CO 0.79 0.05 0.08 -1.81 0.00 0.00 0.00 175.10 174.20 1ecz s ASP 124 N -0.92 4.13 -0.03 3.32 1.11 0.00 -4.75 116.67 119.54 1ecz s ASP 124 Ca 0.61 -1.34 -0.01 0.00 0.18 0.00 0.00 52.55 51.99 1ecz s ASP 124 Cb -0.36 -0.19 0.03 0.00 1.07 0.00 0.00 42.92 43.47 1ecz s ASP 124 CO 0.45 -0.60 0.05 -0.69 1.18 0.00 0.00 175.17 175.57 1ecz s VAL 125 N -2.72 -0.08 0.32 -1.27 1.01 -1.26 -3.08 120.40 113.31 1ecz s VAL 125 Ca 0.31 0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.68 1ecz s VAL 125 Cb 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.26 1ecz s VAL 125 CO 0.16 0.15 0.14 -0.54 0.00 0.00 0.00 175.10 175.02 1ecz s LYS 126 N 1.83 1.64 -0.04 2.72 1.02 0.30 -4.99 119.74 122.22 1ecz s LYS 126 Ca 0.01 -1.94 -0.27 0.00 0.02 0.00 0.00 55.97 53.79 1ecz s LYS 126 Cb -0.12 -0.24 0.06 0.00 -0.52 0.00 0.00 37.83 37.00 1ecz s LYS 126 CO -0.03 -0.42 0.58 1.52 -0.92 0.00 0.00 175.35 176.08 1ecz s TYR 127 N -3.53 -0.53 -0.03 3.18 -0.85 -1.26 -0.73 117.35 113.60 1ecz s TYR 127 Ca 0.34 0.89 0.04 0.00 -0.52 0.00 0.00 57.07 57.82 1ecz s TYR 127 Cb 0.05 0.33 -0.00 0.00 0.38 0.00 0.00 41.96 42.72 1ecz s TYR 127 CO 0.17 -0.56 -0.15 0.50 -1.52 0.00 0.00 175.55 173.98 1ecz s ARG 128 N -1.29 1.49 -0.34 -3.49 3.52 -0.55 -4.94 118.95 113.34 1ecz s ARG 128 Ca -0.11 -0.54 -0.18 0.00 -0.13 0.00 0.00 55.73 54.77 1ecz s ARG 128 Cb -0.01 -1.34 -0.01 0.00 -1.56 0.00 0.00 34.95 32.03 1ecz s ARG 128 CO 0.08 0.24 0.53 0.08 -0.81 0.00 0.00 175.30 175.42 1ecz s VAL 129 N -0.03 5.00 -0.12 7.11 1.01 -1.26 0.56 120.40 132.67 1ecz s VAL 129 Ca -0.01 0.44 -0.17 0.00 0.00 0.00 0.00 61.98 62.24 1ecz s VAL 129 Cb -0.10 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1ecz s VAL 129 CO 0.01 -0.20 0.44 0.26 0.00 0.00 0.00 175.10 175.61 1ecz s TRP 130 N 2.43 3.51 -0.39 5.22 0.52 0.01 -4.96 118.94 125.28 1ecz s TRP 130 Ca 0.20 0.83 -0.06 0.00 0.02 0.00 0.00 56.10 57.09 1ecz s TRP 130 Cb -0.15 -2.50 0.08 0.00 -1.15 0.00 0.00 33.47 29.74 1ecz s TRP 130 CO 0.13 0.19 0.18 0.21 0.02 0.00 0.00 176.95 177.69 1ecz s LYS 131 N 0.55 2.43 1.20 4.98 2.47 -1.26 -1.80 119.74 128.31 1ecz s LYS 131 Ca 0.24 -1.48 -0.16 0.00 -1.56 0.00 0.00 55.97 53.01 1ecz s LYS 131 Cb -0.15 -3.59 0.29 0.00 -1.46 0.00 0.00 37.83 32.92 1ecz s LYS 131 CO 0.09 -0.89 1.04 0.00 0.16 0.00 0.00 175.35 175.75 1ecz s ALA 132 N 1.32 -0.03 0.29 3.13 0.00 -0.93 -5.03 121.76 120.52 1ecz s ALA 132 Ca 0.02 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 51.51 1ecz s ALA 132 Cb -0.22 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1ecz s ALA 132 CO 0.00 -3.77 0.31 -1.21 0.00 0.00 0.00 175.76 171.09 1ecz s GLU 133 N -4.92 3.00 -0.04 0.00 2.02 -1.26 -4.98 118.70 112.52 1ecz s GLU 133 Ca 0.68 -1.07 -0.10 0.00 0.02 0.00 0.00 54.97 54.51 1ecz s GLU 133 Cb -0.18 -2.65 -0.05 0.00 0.10 0.00 0.00 34.13 31.35 1ecz s GLU 133 CO 0.60 0.25 0.46 0.93 0.02 0.00 0.00 175.26 177.52 1ecz h GLU 134 N 1.24 -0.34 -6.59 1.61 3.07 -2.01 -3.45 114.58 108.12 1ecz h GLU 134 Ca -0.47 0.02 -0.53 0.00 -0.50 0.00 0.00 59.36 57.88 1ecz h GLU 134 Cb 1.25 0.08 0.03 0.00 -0.84 0.00 0.00 28.75 29.27 1ecz h GLU 134 CO 0.59 -0.22 0.80 -1.59 -1.40 0.00 0.00 179.01 177.18 1ecz s LYS 135 N -2.70 4.27 -0.39 2.33 -2.85 -1.26 -4.99 119.74 114.15 1ecz s LYS 135 Ca -0.05 2.22 -0.12 0.00 -1.00 0.00 0.00 55.97 57.02 1ecz s LYS 135 Cb 0.01 -3.20 0.03 0.00 -2.06 0.00 0.00 37.83 32.61 1ecz s LYS 135 CO 0.15 -0.51 0.25 0.42 0.10 0.00 0.00 175.35 175.76 1ecz s ILE 136 N 1.06 4.79 0.70 3.79 1.01 -1.26 -5.08 121.20 126.21 1ecz s ILE 136 Ca 0.67 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 60.35 1ecz s ILE 136 Cb -0.40 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.37 1ecz s ILE 136 CO 0.31 -0.30 1.09 -1.81 0.00 0.00 0.00 174.94 174.24 1ecz s ASP 137 N 1.68 5.48 -0.06 3.58 1.01 -1.26 -5.09 116.67 122.02 1ecz s ASP 137 Ca 0.03 1.15 -0.00 0.00 0.71 0.00 0.00 52.55 54.44 1ecz s ASP 137 Cb -0.20 -1.97 -0.03 0.00 1.01 0.00 0.00 42.92 41.73 1ecz s ASP 137 CO 0.07 -1.32 -0.01 0.20 0.21 0.00 0.00 175.17 174.32 1ecz s ASN 138 N -4.34 5.10 -0.32 0.27 0.01 -1.26 -5.09 114.94 109.31 1ecz s ASN 138 Ca 0.58 0.07 -0.24 0.00 -0.71 0.00 0.00 52.86 52.56 1ecz s ASN 138 Cb -0.11 -1.38 0.00 0.00 0.41 0.00 0.00 41.25 40.18 1ecz s ASN 138 CO 0.52 0.35 0.83 0.00 -1.51 0.00 0.00 177.10 177.29 1ecz s ALA 139 N -0.94 3.50 0.63 0.60 0.00 -1.26 -5.03 121.76 119.27 1ecz s ALA 139 Ca 0.15 -0.41 -0.18 0.00 0.00 0.00 0.00 51.96 51.51 1ecz s ALA 139 Cb -0.11 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 1ecz s ALA 139 CO 0.05 -1.30 1.28 0.14 0.00 0.00 0.00 175.76 175.93 1ecz s VAL 140 N 3.09 2.15 -0.91 0.00 -7.23 -1.26 -4.95 120.40 111.29 1ecz s VAL 140 Ca 0.34 0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.61 1ecz s VAL 140 Cb -0.14 -3.04 0.30 0.00 0.56 0.00 0.00 36.38 34.06 1ecz s VAL 140 CO 0.14 -0.02 1.29 0.52 -0.31 0.00 0.00 175.10 176.72 1ecz n VAL 141 N -1.79 4.45 0.70 1.32 0.31 -1.26 -5.36 118.33 116.70 1ecz n VAL 141 Ca 0.15 -5.72 0.08 0.00 -0.01 0.00 0.00 64.34 58.84 1ecz n VAL 141 Cb 0.48 -1.94 0.07 0.00 -0.91 0.00 0.00 33.84 31.54 1ecz n VAL 141 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40