#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dox n SER 2 N 0.00 0.00 -2.35 0.00 7.64 -1.26 -4.27 113.62 113.37 1dox n SER 2 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1dox n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1dox n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dox n TYR 3 N -0.02 -1.35 -0.93 1.43 4.11 1.00 -4.67 117.16 116.72 1dox n TYR 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1dox n TYR 3 Cb 0.00 -2.66 0.00 0.00 -0.00 0.00 0.00 39.34 36.68 1dox n TYR 3 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 1dox n THR 4 N -3.22 0.00 0.00 -3.48 -1.04 0.73 -4.08 114.28 103.19 1dox n THR 4 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1dox n THR 4 Cb 0.59 0.36 0.00 0.00 -1.82 0.00 0.00 70.33 69.46 1dox n THR 4 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1dox n VAL 5 N 0.00 0.00 -0.42 12.58 0.31 -1.21 -2.03 118.33 127.56 1dox n VAL 5 Ca 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.68 1dox n VAL 5 Cb 0.06 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 1dox n VAL 5 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1dox n LYS 6 N 0.00 0.00 0.00 5.55 4.81 -1.26 -3.16 118.16 124.10 1dox n LYS 6 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1dox n LYS 6 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1dox n LYS 6 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1dox n LEU 7 N 0.00 0.00 0.00 3.14 7.94 -0.32 -2.37 117.00 125.39 1dox n LEU 7 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1dox n LEU 7 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1dox n LEU 7 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 1dox n ILE 8 N 0.00 0.00 0.00 1.96 3.06 -1.23 -0.05 119.36 123.10 1dox n ILE 8 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1dox n ILE 8 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1dox n ILE 8 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1dox n THR 9 N -1.40 0.00 0.10 9.51 -1.04 -1.08 -2.43 114.28 117.94 1dox n THR 9 Ca 0.00 0.00 0.20 0.00 -2.04 0.00 0.00 64.05 62.21 1dox n THR 9 Cb 0.00 0.00 0.74 0.00 -1.82 0.00 0.00 70.33 69.25 1dox n THR 9 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1dox h PRO 10 N 0.00 0.00 -2.10 -2.82 0.10 -1.80 -2.12 132.00 123.27 1dox h PRO 10 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 66.00 65.52 1dox h PRO 10 Cb 0.00 0.00 -0.40 0.00 0.10 0.00 0.00 31.00 30.70 1dox h PRO 10 CO 0.00 0.00 -0.90 -3.47 0.10 0.00 0.00 178.00 173.73 1dox n ASP 11 N -3.66 1.55 0.00 -2.05 2.03 -1.23 -4.80 116.55 108.38 1dox n ASP 11 Ca 0.07 -2.97 0.00 0.00 0.52 0.00 0.00 54.79 52.40 1dox n ASP 11 Cb 0.62 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 1dox n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dox n GLY 12 N 1.24 0.00 3.69 0.27 0.00 -0.80 -3.79 105.19 105.80 1dox n GLY 12 Ca 0.25 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.71 1dox n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dox n GLU 13 N 0.00 1.30 -4.82 1.61 1.02 -1.26 -2.64 120.64 115.85 1dox n GLU 13 Ca 0.00 0.48 -0.25 0.00 -0.02 0.00 0.00 57.16 57.37 1dox n GLU 13 Cb 0.00 -2.18 -0.15 0.00 -0.02 0.00 0.00 31.44 29.09 1dox n GLU 13 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1dox s SER 14 N 3.24 2.02 -0.20 1.62 0.01 0.92 -4.85 113.70 116.47 1dox s SER 14 Ca 0.96 -0.31 -0.07 0.00 1.31 0.00 0.00 55.95 57.83 1dox s SER 14 Cb -1.00 -0.23 0.09 0.00 0.21 0.00 0.00 66.02 65.09 1dox s SER 14 CO 0.61 0.21 0.43 -0.44 0.41 0.00 0.00 173.24 174.47 1dox s SER 15 N -0.40 -0.33 0.00 2.44 0.01 -1.23 -1.17 113.70 113.01 1dox s SER 15 Ca 0.06 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.33 1dox s SER 15 Cb -0.07 1.31 0.00 0.00 0.21 0.00 0.00 66.02 67.47 1dox s SER 15 CO -0.01 -0.23 0.00 2.30 0.41 0.00 0.00 173.24 175.72 1dox n ILE 16 N 5.22 0.00 -0.48 1.44 -5.35 -0.86 -3.91 119.36 115.43 1dox n ILE 16 Ca -0.11 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 1dox n ILE 16 Cb 0.50 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 1dox n ILE 16 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1dox n GLU 17 N -2.37 0.00 0.00 6.28 2.13 -1.26 0.33 120.64 125.75 1dox n GLU 17 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1dox n GLU 17 Cb 0.00 -4.06 0.00 0.00 0.27 0.00 0.00 31.44 27.65 1dox n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1dox n SER 19 N 0.44 -5.87 0.00 0.00 2.88 -1.26 -4.09 113.62 105.73 1dox n SER 19 Ca 0.00 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1dox n SER 19 Cb 0.00 -4.85 0.00 0.00 -0.75 0.00 0.00 64.21 58.61 1dox n SER 19 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1dox n ASP 20 N -2.14 0.00 -2.48 -3.46 -0.08 -1.26 -4.58 116.55 102.56 1dox n ASP 20 Ca -0.21 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.05 1dox n ASP 20 Cb 0.67 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.11 1dox n ASP 20 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1dox n ASP 21 N 0.00 -5.00 0.00 1.67 -0.08 -1.26 -4.71 116.55 107.17 1dox n ASP 21 Ca 0.00 1.51 0.00 0.00 -1.51 0.00 0.00 54.79 54.79 1dox n ASP 21 Cb 0.00 -4.50 0.00 0.00 2.34 0.00 0.00 41.12 38.96 1dox n ASP 21 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1dox n THR 22 N 1.90 0.00 -2.53 5.18 -2.24 -1.26 -4.85 114.28 110.48 1dox n THR 22 Ca -0.16 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.57 1dox n THR 22 Cb 0.24 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 1dox n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dox n TYR 23 N 0.00 -0.20 0.00 4.78 4.11 -1.26 -4.82 117.16 119.77 1dox n TYR 23 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.90 58.01 1dox n TYR 23 Cb 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 39.34 38.93 1dox n TYR 23 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.86 177.30 1dox n ILE 24 N -1.42 0.00 -0.29 -3.48 -5.35 -1.26 -2.92 119.36 104.64 1dox n ILE 24 Ca -0.03 0.00 0.31 0.00 -0.27 0.00 0.00 62.75 62.76 1dox n ILE 24 Cb 0.10 0.00 0.47 0.00 -1.74 0.00 0.00 39.64 38.48 1dox n ILE 24 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1dox n LEU 25 N 0.00 0.00 0.44 7.28 4.32 -1.26 -0.50 117.00 127.28 1dox n LEU 25 Ca 0.00 0.76 -0.20 0.00 -0.02 0.00 0.00 56.01 56.55 1dox n LEU 25 Cb 0.00 -0.29 -0.10 0.00 -1.62 0.00 0.00 43.42 41.41 1dox n LEU 25 CO 0.00 -0.76 0.54 0.44 -1.22 0.00 0.00 177.39 176.39 1dox h ASP 26 N 0.00 -1.25 0.00 -1.43 5.19 -1.95 0.37 116.42 117.35 1dox h ASP 26 Ca 0.54 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 57.02 1dox h ASP 26 Cb 2.93 0.36 0.00 0.00 0.18 0.00 0.00 39.33 42.81 1dox h ASP 26 CO -0.01 -0.77 0.23 0.00 -3.12 0.00 0.00 179.24 175.58 1dox h ALA 27 N -1.17 1.22 -0.04 3.45 0.00 -0.66 1.15 119.26 123.20 1dox h ALA 27 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 1dox h ALA 27 Cb 0.98 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.78 1dox h ALA 27 CO 0.11 -0.22 -0.89 0.00 0.00 0.00 0.00 179.25 178.26 1dox h ALA 28 N 1.52 0.37 -1.62 0.00 0.00 -0.34 -2.88 119.26 116.30 1dox h ALA 28 Ca 0.00 -0.67 0.47 0.00 0.00 0.00 0.00 54.91 54.71 1dox h ALA 28 Cb 0.46 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1dox h ALA 28 CO 0.00 0.76 1.22 0.93 0.00 0.00 0.00 179.25 182.16 1dox h GLU 29 N 0.32 0.00 0.18 0.00 4.39 0.48 1.75 114.58 121.71 1dox h GLU 29 Ca -0.07 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.31 1dox h GLU 29 Cb 1.51 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.17 1dox h GLU 29 CO 0.16 0.00 -1.56 0.93 -1.16 0.00 0.00 179.01 177.38 1dox h GLU 30 N 0.00 0.38 -1.12 2.33 3.07 -1.53 -2.74 114.58 114.96 1dox h GLU 30 Ca 0.77 -0.65 0.33 0.00 -0.50 0.00 0.00 59.36 59.31 1dox h GLU 30 Cb 3.20 0.24 -0.04 0.00 -0.84 0.00 0.00 28.75 31.30 1dox h GLU 30 CO -0.01 1.31 1.11 0.00 -1.40 0.00 0.00 179.01 180.03 1dox h ALA 31 N 0.08 3.02 0.00 3.43 0.00 0.27 -3.41 119.26 122.65 1dox h ALA 31 Ca -0.31 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1dox h ALA 31 Cb 2.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1dox h ALA 31 CO 0.17 -1.69 0.00 0.41 0.00 0.00 0.00 179.25 178.13 1dox n GLY 32 N -1.73 0.58 2.51 0.00 0.00 -0.93 -4.54 105.19 101.09 1dox n GLY 32 Ca 0.25 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 1dox n GLY 32 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1dox n LEU 33 N 0.00 -0.21 0.00 0.99 -0.00 -1.04 -4.69 117.00 112.04 1dox n LEU 33 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 1dox n LEU 33 Cb 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 43.42 42.58 1dox n LEU 33 CO 0.00 0.03 0.00 -0.67 -0.00 0.00 0.00 177.39 176.75 1dox n ASP 34 N -1.18 0.00 0.00 1.45 -0.08 -1.26 -5.02 116.55 110.46 1dox n ASP 34 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1dox n ASP 34 Cb 0.33 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.79 1dox n ASP 34 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1dox n LEU 35 N 0.00 0.00 0.00 -2.67 4.77 -1.26 -5.02 117.00 112.82 1dox n LEU 35 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1dox n LEU 35 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1dox n LEU 35 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.39 173.41 1dox n PRO 36 N 0.00 1.35 -2.76 3.23 -0.02 -1.26 -4.35 135.00 131.19 1dox n PRO 36 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 1dox n PRO 36 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 33.53 1dox n PRO 36 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1dox n TYR 37 N -0.95 -1.20 0.00 6.00 4.01 -1.26 -4.58 117.16 119.18 1dox n TYR 37 Ca 0.00 0.51 0.00 0.00 -0.16 0.00 0.00 57.90 58.25 1dox n TYR 37 Cb 0.00 -3.67 0.00 0.00 -0.31 0.00 0.00 39.34 35.36 1dox n TYR 37 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1dox n SER 38 N -2.17 0.00 0.27 7.72 7.64 -1.26 -3.75 113.62 122.06 1dox n SER 38 Ca -0.15 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.83 1dox n SER 38 Cb 0.59 0.00 0.42 0.00 -1.01 0.00 0.00 64.21 64.22 1dox n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dox n ARG 40 N -2.81 -1.25 0.00 0.00 5.12 -1.26 -4.93 116.66 111.53 1dox n ARG 40 Ca 0.02 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.61 1dox n ARG 40 Cb 0.77 -4.77 0.00 0.00 -1.16 0.00 0.00 32.46 27.30 1dox n ARG 40 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1dox n ALA 41 N 1.13 0.00 -2.32 7.54 0.00 -1.26 -5.06 120.51 120.53 1dox n ALA 41 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.16 1dox n ALA 41 Cb 0.42 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.89 1dox n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dox n GLY 42 N 4.71 5.27 0.02 0.00 0.00 -1.26 -4.71 105.19 109.21 1dox n GLY 42 Ca 0.00 -2.37 0.01 0.00 0.00 0.00 0.00 46.02 43.65 1dox n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dox n ALA 43 N -0.57 2.08 0.00 4.61 0.00 -1.26 -5.09 120.51 120.28 1dox n ALA 43 Ca 0.35 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1dox n ALA 43 Cb 0.84 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.19 1dox n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dox n SER 45 N 0.00 -0.17 -0.56 0.00 7.64 -1.26 -4.55 113.62 114.72 1dox n SER 45 Ca 0.00 -2.26 0.13 0.00 1.01 0.00 0.00 58.87 57.75 1dox n SER 45 Cb 0.00 0.20 0.30 0.00 -1.01 0.00 0.00 64.21 63.70 1dox n SER 45 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1dox n THR 46 N -0.89 0.00 -3.28 0.44 -2.24 -1.26 -4.50 114.28 102.55 1dox n THR 46 Ca -0.04 -0.29 -0.26 0.00 -2.27 0.00 0.00 64.05 61.19 1dox n THR 46 Cb 0.84 0.86 -0.07 0.00 -2.10 0.00 0.00 70.33 69.86 1dox n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dox n ALA 48 N 0.72 5.13 -3.50 0.00 0.00 -1.25 -4.58 120.51 117.03 1dox n ALA 48 Ca 0.28 -4.50 -0.09 0.00 0.00 0.00 0.00 53.44 49.13 1dox n ALA 48 Cb 0.44 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 1dox n ALA 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1dox s GLY 49 N -3.09 0.44 0.02 0.00 0.00 -1.26 -4.10 107.32 99.32 1dox s GLY 49 Ca 0.48 -0.76 -0.30 0.00 0.00 0.00 0.00 44.72 44.13 1dox s GLY 49 CO -0.18 -0.44 1.49 0.54 0.00 0.00 0.00 173.10 174.51 1dox s LYS 50 N -3.43 4.25 -0.41 2.90 -0.14 -1.08 -3.31 119.74 118.52 1dox s LYS 50 Ca 0.18 2.09 -0.15 0.00 -1.36 0.00 0.00 55.97 56.73 1dox s LYS 50 Cb -0.03 -3.58 0.02 0.00 -1.68 0.00 0.00 37.83 32.56 1dox s LYS 50 CO 0.11 -0.63 0.50 -0.89 -0.76 0.00 0.00 175.35 173.68 1dox n ILE 51 N 4.68-10.55 0.42 2.17 5.41 -1.26 -2.52 119.36 117.71 1dox n ILE 51 Ca 0.14 0.98 0.00 0.00 1.00 0.00 0.00 62.75 64.87 1dox n ILE 51 Cb 0.43 -6.88 0.00 0.00 -0.71 0.00 0.00 39.64 32.47 1dox n ILE 51 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1dox n THR 52 N -0.11 0.19 -2.00 1.39 -2.24 -1.21 -3.12 114.28 107.19 1dox n THR 52 Ca 0.08 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.85 1dox n THR 52 Cb 0.41 -0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.18 1dox n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dox n ALA 53 N 0.52 -2.89 -1.00 6.98 0.00 -0.34 -4.60 120.51 119.18 1dox n ALA 53 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 53.44 54.33 1dox n ALA 53 Cb 0.15 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1dox n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dox n GLY 54 N 1.11 -2.37 0.57 0.00 0.00 -1.26 -4.47 105.19 98.76 1dox n GLY 54 Ca -0.13 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1dox n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dox n SER 55 N 0.00 -0.18 -4.91 1.61 3.41 -1.26 -4.83 113.62 107.46 1dox n SER 55 Ca 0.00 -1.05 -0.31 0.00 -0.26 0.00 0.00 58.87 57.25 1dox n SER 55 Cb 0.00 0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.19 1dox n SER 55 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1dox s VAL 56 N -2.19 5.34 0.00 -3.33 0.11 -0.63 0.40 120.40 120.10 1dox s VAL 56 Ca 0.04 -0.37 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 1dox s VAL 56 Cb -0.00 -3.58 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 1dox s VAL 56 CO 0.00 0.18 0.00 -0.67 -3.33 0.00 0.00 175.10 171.28 1dox n ASP 57 N 0.45 0.00 -3.14 3.54 2.03 0.38 -1.41 116.55 118.40 1dox n ASP 57 Ca -0.07 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.19 1dox n ASP 57 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1dox n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dox n GLN 58 N 0.00 -1.54 0.00 -0.67 6.02 -1.21 -4.79 117.38 115.20 1dox n GLN 58 Ca 0.00 1.50 0.00 0.00 -0.01 0.00 0.00 57.00 58.49 1dox n GLN 58 Cb 0.00 -5.17 0.00 0.00 1.02 0.00 0.00 30.24 26.09 1dox n GLN 58 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1dox n SER 59 N -1.60 0.33 -4.20 1.08 7.64 -1.26 -4.96 113.62 110.65 1dox n SER 59 Ca -0.03 -1.07 -0.35 0.00 1.01 0.00 0.00 58.87 58.43 1dox n SER 59 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1dox n SER 59 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1dox n ASP 60 N -0.04 -2.81 0.00 6.43 -0.08 -1.26 -4.80 116.55 114.00 1dox n ASP 60 Ca 0.00 -1.02 0.00 0.00 -1.51 0.00 0.00 54.79 52.26 1dox n ASP 60 Cb 0.26 -2.75 0.00 0.00 2.34 0.00 0.00 41.12 40.97 1dox n ASP 60 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1dox n GLN 61 N -4.39 0.00 0.00 -0.67 -0.00 -1.26 -5.16 117.38 105.90 1dox n GLN 61 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.02 1dox n GLN 61 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.76 1dox n GLN 61 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1dox n SER 62 N 0.00 -0.08 -4.16 2.61 2.88 -1.26 -4.43 113.62 109.18 1dox n SER 62 Ca 0.00 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.10 1dox n SER 62 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1dox n SER 62 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1dox n PHE 63 N -0.03 3.68 -0.40 0.66 3.01 -1.26 -4.93 117.46 118.19 1dox n PHE 63 Ca 0.00 -3.20 0.00 0.00 1.01 0.00 0.00 57.45 55.26 1dox n PHE 63 Cb 0.00 -1.48 0.00 0.00 -0.01 0.00 0.00 39.48 37.99 1dox n PHE 63 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1dox n LEU 64 N 2.02 -1.26 0.00 4.37 4.77 -1.26 -4.82 117.00 120.82 1dox n LEU 64 Ca 0.25 0.78 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 1dox n LEU 64 Cb 0.36 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1dox n LEU 64 CO 0.61 0.09 0.00 0.47 -1.33 0.00 0.00 177.39 177.23 1dox n ASP 65 N -1.03 0.00 -0.04 -1.43 9.92 -0.75 -4.26 116.55 118.97 1dox n ASP 65 Ca 0.00 -0.30 -0.09 0.00 -0.53 0.00 0.00 54.79 53.87 1dox n ASP 65 Cb 0.01 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.46 1dox n ASP 65 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1dox h ASP 66 N 0.00 -1.01 0.00 -2.24 3.32 -1.78 -3.36 116.42 111.35 1dox h ASP 66 Ca 0.00 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1dox h ASP 66 Cb 0.00 0.45 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1dox h ASP 66 CO 0.00 -0.34 0.00 0.47 -1.72 0.00 0.00 179.24 177.65 1dox n ASP 67 N -5.41 0.00 0.00 6.45 8.00 -1.26 -4.05 116.55 120.28 1dox n ASP 67 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1dox n ASP 67 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1dox n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dox n GLN 68 N 0.00 0.00 0.00 -1.24 -0.00 -1.26 -5.06 117.38 109.82 1dox n GLN 68 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1dox n GLN 68 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 1dox n GLN 68 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1dox n ILE 69 N 0.00 0.00 -1.97 -0.39 2.08 -1.26 -4.70 119.36 113.11 1dox n ILE 69 Ca 0.00 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.30 1dox n ILE 69 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1dox n ILE 69 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1dox n GLU 70 N 0.00 -0.60 -2.76 0.38 2.13 -1.25 -5.05 120.64 113.49 1dox n GLU 70 Ca 0.00 0.93 -0.09 0.00 0.66 0.00 0.00 57.16 58.66 1dox n GLU 70 Cb 0.00 -2.87 0.05 0.00 0.27 0.00 0.00 31.44 28.89 1dox n GLU 70 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1dox n ALA 71 N -0.84 -1.24 -0.26 4.31 0.00 -1.26 -4.94 120.51 116.29 1dox n ALA 71 Ca 0.02 -1.46 0.06 0.00 0.00 0.00 0.00 53.44 52.06 1dox n ALA 71 Cb 0.32 -1.30 0.20 0.00 0.00 0.00 0.00 19.45 18.67 1dox n ALA 71 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1dox h GLY 72 N 3.87 1.20 0.00 0.00 0.00 -1.86 -3.35 103.07 102.93 1dox h GLY 72 Ca -0.14 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1dox h GLY 72 CO 0.31 -0.10 0.00 2.98 0.00 0.00 0.00 176.54 179.73 1dox n TYR 73 N -4.99 0.00 -0.07 5.60 9.36 -1.26 -3.80 117.16 122.00 1dox n TYR 73 Ca 0.15 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.37 1dox n TYR 73 Cb 0.43 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.14 1dox n TYR 73 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1dox n VAL 74 N 0.00 0.00 -2.77 2.97 0.31 -1.26 -4.63 118.33 112.95 1dox n VAL 74 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 1dox n VAL 74 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1dox n VAL 74 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1dox s LEU 75 N 0.00 4.29 0.00 7.52 1.02 -1.25 -4.58 118.68 125.68 1dox s LEU 75 Ca 0.00 -1.50 0.22 0.00 0.02 0.00 0.00 54.13 52.86 1dox s LEU 75 Cb 0.00 -2.47 0.53 0.00 0.02 0.00 0.00 46.19 44.27 1dox s LEU 75 CO 0.00 -1.34 1.45 1.07 0.02 0.00 0.00 176.35 177.54 1dox n THR 76 N 6.07 0.44 0.49 5.49 5.66 -1.25 -1.80 114.28 129.38 1dox n THR 76 Ca 0.19 -0.62 0.02 0.00 -3.05 0.00 0.00 64.05 60.59 1dox n THR 76 Cb 0.49 0.71 0.12 0.00 -1.55 0.00 0.00 70.33 70.11 1dox n THR 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1dox n VAL 78 N 0.19 2.54 -0.21 0.00 0.31 -1.26 -4.96 118.33 114.94 1dox n VAL 78 Ca 0.09 -1.44 0.00 0.00 -0.01 0.00 0.00 64.34 62.97 1dox n VAL 78 Cb 0.51 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 1dox n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dox n ALA 79 N 0.54 -2.56 -3.00 3.52 0.00 -1.25 -4.81 120.51 112.95 1dox n ALA 79 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1dox n ALA 79 Cb 1.10 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1dox n ALA 79 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1dox n TYR 80 N 0.23 -0.52 -2.13 0.00 9.36 -0.50 -4.60 117.16 119.01 1dox n TYR 80 Ca 0.00 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.82 1dox n TYR 80 Cb 0.00 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 1dox n TYR 80 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1dox s PRO 81 N -1.09 2.88 0.00 2.98 0.05 -1.18 0.14 135.00 138.78 1dox s PRO 81 Ca 0.00 0.65 0.00 0.00 0.05 0.00 0.00 61.00 61.70 1dox s PRO 81 Cb 0.00 -4.30 0.00 0.00 0.05 0.00 0.00 34.50 30.25 1dox s PRO 81 CO 0.00 -2.43 0.00 -2.37 0.05 0.00 0.00 177.00 172.25 1dox n THR 82 N 7.13 0.00 -0.24 1.26 5.66 1.33 -3.82 114.28 125.59 1dox n THR 82 Ca 0.18 0.12 0.00 0.00 -3.05 0.00 0.00 64.05 61.30 1dox n THR 82 Cb 0.51 -0.46 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 1dox n THR 82 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1dox n SER 83 N 0.00 0.00 0.00 1.09 7.64 -1.26 -4.49 113.62 116.60 1dox n SER 83 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1dox n SER 83 Cb 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1dox n SER 83 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1dox n ASP 84 N 0.00 0.00 -0.04 6.43 5.68 -1.24 -4.73 116.55 122.64 1dox n ASP 84 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1dox n ASP 84 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1dox n ASP 84 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1dox n THR 86 N -0.02 0.00 -3.56 0.00 -2.24 -1.26 -4.54 114.28 102.66 1dox n THR 86 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1dox n THR 86 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1dox n THR 86 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1dox s ILE 87 N 0.00 0.00 0.00 2.28 1.10 -1.00 -1.20 121.20 122.38 1dox s ILE 87 Ca 0.00 -0.13 0.00 0.00 -0.51 0.00 0.00 60.65 60.01 1dox s ILE 87 Cb 0.00 -1.22 0.00 0.00 0.15 0.00 0.00 42.46 41.39 1dox s ILE 87 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 174.94 174.04 1dox n GLU 88 N -0.28 0.00 -2.18 3.50 2.13 -1.05 -2.60 120.64 120.16 1dox n GLU 88 Ca -0.07 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.33 1dox n GLU 88 Cb 0.61 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.33 1dox n GLU 88 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1dox n THR 89 N 0.00 4.29 -0.02 6.31 5.66 -1.02 -2.65 114.28 126.85 1dox n THR 89 Ca 0.00 -4.13 -0.16 0.00 -3.05 0.00 0.00 64.05 56.71 1dox n THR 89 Cb 0.00 -2.38 -0.11 0.00 -1.55 0.00 0.00 70.33 66.29 1dox n THR 89 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 175.07 171.28 1dox h HIS 90 N 5.65 0.36 -0.21 1.09 2.76 -1.84 -3.46 115.15 119.51 1dox h HIS 90 Ca 0.46 -0.19 0.14 0.00 -2.20 0.00 0.00 60.37 58.59 1dox h HIS 90 Cb 0.59 -0.05 -0.18 0.00 1.55 0.00 0.00 27.41 29.33 1dox h HIS 90 CO 1.33 0.97 -0.09 0.21 -1.30 0.00 0.00 177.93 179.05 1dox s LYS 91 N -3.27 0.16 -0.05 5.26 2.47 -1.26 -5.01 119.74 118.05 1dox s LYS 91 Ca -0.15 -0.03 0.20 0.00 -1.56 0.00 0.00 55.97 54.43 1dox s LYS 91 Cb 0.02 0.03 0.66 0.00 -1.46 0.00 0.00 37.83 37.07 1dox s LYS 91 CO 0.76 -0.24 1.56 0.39 0.16 0.00 0.00 175.35 177.97 1dox n GLU 92 N 3.89 3.11 -0.66 4.03 4.71 -1.26 -4.89 120.64 129.57 1dox n GLU 92 Ca 0.06 -2.64 0.00 0.00 -0.01 0.00 0.00 57.16 54.58 1dox n GLU 92 Cb 0.63 -1.71 0.00 0.00 -1.01 0.00 0.00 31.44 29.35 1dox n GLU 92 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1dox n GLU 93 N 1.33 0.00 0.16 3.49 2.13 -1.26 -4.55 120.64 121.94 1dox n GLU 93 Ca 0.24 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.06 1dox n GLU 93 Cb 0.72 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.97 1dox n GLU 93 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1dox n ASP 94 N 0.00 -1.57 0.00 4.31 -0.08 -1.26 -5.07 116.55 112.88 1dox n ASP 94 Ca 0.00 0.58 0.00 0.00 -1.51 0.00 0.00 54.79 53.86 1dox n ASP 94 Cb 0.00 1.61 0.00 0.00 2.34 0.00 0.00 41.12 45.07 1dox n ASP 94 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1dox n LEU 95 N -3.34 0.00 0.00 -2.67 7.94 -1.26 -5.15 117.00 112.51 1dox n LEU 95 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1dox n LEU 95 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1dox n LEU 95 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28