#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqb n HIS 2 N 0.00 0.00 1.35 0.66 1.44 -1.26 -3.64 115.22 113.77 1sqb n HIS 2 Ca 0.00 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.85 1sqb n HIS 2 Cb 0.00 -0.40 0.69 0.00 0.12 0.00 0.00 29.99 30.40 1sqb n HIS 2 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1sqb n THR 3 N -1.40 0.00 0.10 0.61 -2.24 -1.26 -2.78 114.28 107.31 1sqb n THR 3 Ca 0.09 -0.01 -0.05 0.00 -2.27 0.00 0.00 64.05 61.80 1sqb n THR 3 Cb 0.25 -0.37 0.09 0.00 -2.10 0.00 0.00 70.33 68.20 1sqb n THR 3 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1sqb h ASP 4 N 0.14 0.18 -1.17 3.42 3.32 -2.11 -3.44 116.42 116.76 1sqb h ASP 4 Ca 0.00 -0.11 -0.35 0.00 0.02 0.00 0.00 57.03 56.58 1sqb h ASP 4 Cb 0.34 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1sqb h ASP 4 CO 0.00 0.81 1.28 -0.38 -1.72 0.00 0.00 179.24 179.23 1sqb n ILE 5 N -3.78 -0.06 -3.92 0.35 5.41 -1.12 -4.95 119.36 111.30 1sqb n ILE 5 Ca -0.02 -0.68 -0.33 0.00 1.00 0.00 0.00 62.75 62.73 1sqb n ILE 5 Cb 0.68 -2.41 -0.05 0.00 -0.71 0.00 0.00 39.64 37.15 1sqb n ILE 5 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1sqb s LYS 6 N 8.47 3.41 -0.09 0.38 2.20 -1.26 -5.10 119.74 127.74 1sqb s LYS 6 Ca 1.00 -0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 55.94 1sqb s LYS 6 Cb -0.25 -3.06 -0.02 0.00 -1.51 0.00 0.00 37.83 32.99 1sqb s LYS 6 CO 0.24 0.65 1.04 0.08 -0.36 0.00 0.00 175.35 177.01 1sqb s VAL 7 N -1.38 4.68 0.58 4.02 1.01 -1.26 -5.03 120.40 123.03 1sqb s VAL 7 Ca 0.30 1.95 -0.19 0.00 0.00 0.00 0.00 61.98 64.04 1sqb s VAL 7 Cb -0.13 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 31.93 1sqb s VAL 7 CO 0.22 0.01 0.84 -2.65 0.00 0.00 0.00 175.10 173.51 1sqb n PRO 8 N 4.97 0.80 -1.97 2.72 -0.02 -1.26 -4.91 135.00 135.34 1sqb n PRO 8 Ca 0.09 0.31 -0.42 0.00 -2.02 0.00 0.00 63.50 61.46 1sqb n PRO 8 Cb 0.48 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 1sqb n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1sqb s ASP 9 N -1.20 6.64 0.00 2.55 2.15 -1.26 -4.91 116.67 120.64 1sqb s ASP 9 Ca 0.73 2.39 0.15 0.00 0.43 0.00 0.00 52.55 56.24 1sqb s ASP 9 Cb -0.43 -2.55 0.37 0.00 -0.30 0.00 0.00 42.92 40.00 1sqb s ASP 9 CO 0.50 -0.88 1.28 0.49 -0.17 0.00 0.00 175.17 176.39 1sqb n PHE 10 N 6.03 0.52 0.08 -5.34 3.72 -1.26 -4.66 117.46 116.55 1sqb n PHE 10 Ca 0.16 -0.41 0.18 0.00 -0.05 0.00 0.00 57.45 57.33 1sqb n PHE 10 Cb 0.41 -0.02 0.71 0.00 -0.94 0.00 0.00 39.48 39.65 1sqb n PHE 10 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1sqb h SER 11 N 2.80 0.00 -0.47 4.37 0.02 -1.94 0.14 113.55 118.47 1sqb h SER 11 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1sqb h SER 11 Cb 0.78 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 1sqb h SER 11 CO 0.00 0.00 0.22 -0.78 -1.14 0.00 0.00 176.83 175.13 1sqb h ASP 12 N 0.00 0.65 0.00 3.07 3.58 -2.02 -3.12 116.42 118.58 1sqb h ASP 12 Ca 0.18 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1sqb h ASP 12 Cb 0.76 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1sqb h ASP 12 CO -0.00 0.57 -1.36 -1.22 -2.88 0.00 0.00 179.24 174.35 1sqb n TYR 13 N -4.36 0.00 -2.07 0.28 4.01 0.33 -5.02 117.16 110.32 1sqb n TYR 13 Ca 0.04 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.37 1sqb n TYR 13 Cb 0.14 -0.21 -0.02 0.00 -0.31 0.00 0.00 39.34 38.94 1sqb n TYR 13 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1sqb s ARG 14 N -3.04 4.32 0.47 -0.72 0.52 -0.27 -5.01 118.95 115.21 1sqb s ARG 14 Ca 0.00 2.27 -0.24 0.00 -0.52 0.00 0.00 55.73 57.24 1sqb s ARG 14 Cb 0.13 -3.06 -0.07 0.00 0.52 0.00 0.00 34.95 32.47 1sqb s ARG 14 CO 0.79 -0.24 1.35 1.03 0.02 0.00 0.00 175.30 178.25 1sqb s ARG 15 N -1.81 3.61 0.51 3.54 0.52 -1.26 -4.91 118.95 119.14 1sqb s ARG 15 Ca 0.50 2.24 0.26 0.00 -0.52 0.00 0.00 55.73 58.21 1sqb s ARG 15 Cb -0.41 -2.54 1.37 0.00 0.52 0.00 0.00 34.95 33.89 1sqb s ARG 15 CO 0.54 -0.82 1.94 -1.35 0.02 0.00 0.00 175.30 175.63 1sqb h PRO 16 N 2.14 0.07 0.00 3.54 0.11 -1.96 0.47 132.00 136.37 1sqb h PRO 16 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1sqb h PRO 16 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1sqb h PRO 16 CO 0.60 0.05 0.00 0.39 -0.21 0.00 0.00 178.00 178.83 1sqb n GLU 17 N -4.36 0.17 -0.43 1.05 4.71 -1.26 -2.96 120.64 117.56 1sqb n GLU 17 Ca 0.14 0.25 0.08 0.00 -0.01 0.00 0.00 57.16 57.63 1sqb n GLU 17 Cb 0.74 -1.75 0.26 0.00 -1.01 0.00 0.00 31.44 29.67 1sqb n GLU 17 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1sqb n VAL 18 N -2.06 2.22 0.08 2.62 0.31 0.15 -4.66 118.33 116.99 1sqb n VAL 18 Ca 0.04 -1.83 -0.17 0.00 -0.01 0.00 0.00 64.34 62.38 1sqb n VAL 18 Cb 0.32 -0.21 -0.14 0.00 -0.91 0.00 0.00 33.84 32.90 1sqb n VAL 18 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1sqb h LEU 19 N 1.83 0.42 -9.30 7.52 3.38 -1.51 -3.46 115.31 114.18 1sqb h LEU 19 Ca 0.00 -0.53 -0.55 0.00 0.09 0.00 0.00 57.88 56.88 1sqb h LEU 19 Cb 1.41 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 1sqb h LEU 19 CO 0.21 1.44 0.49 -0.62 0.09 0.00 0.00 178.44 180.05 1sqb s ASP 20 N -7.04 7.26 0.27 -0.43 -1.08 -1.26 -4.95 116.67 109.44 1sqb s ASP 20 Ca -0.08 1.54 0.06 0.00 -0.52 0.00 0.00 52.55 53.56 1sqb s ASP 20 Cb 0.07 -2.55 0.36 0.00 -1.46 0.00 0.00 42.92 39.34 1sqb s ASP 20 CO 0.86 -0.38 1.63 0.28 0.52 0.00 0.00 175.17 178.08 1sqb h SER 21 N 7.01 0.24 0.24 -0.34 0.02 -2.00 -3.19 113.55 115.54 1sqb h SER 21 Ca -0.34 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.35 1sqb h SER 21 Cb 1.17 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1sqb h SER 21 CO 0.82 0.71 -0.54 0.74 -1.14 0.00 0.00 176.83 177.42 1sqb h THR 22 N 0.17 1.35 -3.36 -2.27 2.02 -2.02 -3.45 112.91 105.35 1sqb h THR 22 Ca 0.01 -1.81 -0.57 0.00 0.77 0.00 0.00 66.41 64.80 1sqb h THR 22 Cb 0.96 1.85 -0.07 0.00 -1.74 0.00 0.00 68.15 69.16 1sqb h THR 22 CO 0.08 0.54 0.09 -0.75 0.37 0.00 0.00 175.52 175.86 1sqb s LYS 23 N -3.92 4.37 0.29 6.66 2.20 -1.21 -5.05 119.74 123.08 1sqb s LYS 23 Ca -0.05 0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 56.06 1sqb s LYS 23 Cb 0.12 -3.48 -0.11 0.00 -1.51 0.00 0.00 37.83 32.85 1sqb s LYS 23 CO 0.80 -0.02 1.49 0.45 -0.36 0.00 0.00 175.35 177.71 1sqb s SER 24 N 0.88 6.52 0.31 1.43 0.15 -1.26 -4.83 113.70 116.91 1sqb s SER 24 Ca 0.35 2.82 0.26 0.00 0.70 0.00 0.00 55.95 60.08 1sqb s SER 24 Cb -0.17 -2.64 0.90 0.00 -1.71 0.00 0.00 66.02 62.40 1sqb s SER 24 CO 0.15 -0.78 1.76 0.28 1.20 0.00 0.00 173.24 175.85 1sqb h SER 25 N 4.52 0.00 -0.29 5.45 0.02 -1.92 -3.26 113.55 118.07 1sqb h SER 25 Ca -0.47 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.46 1sqb h SER 25 Cb 1.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 1sqb h SER 25 CO 0.75 0.00 0.12 0.11 -1.14 0.00 0.00 176.83 176.67 1sqb h LYS 26 N 0.00 0.49 0.00 3.45 1.79 -1.98 -2.24 116.57 118.08 1sqb h LYS 26 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1sqb h LYS 26 Cb 0.61 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1sqb h LYS 26 CO 0.00 0.42 0.00 0.39 -1.08 0.00 0.00 179.45 179.18 1sqb n GLU 27 N -4.38 0.06 0.00 3.15 -0.58 -1.23 -2.57 120.64 115.08 1sqb n GLU 27 Ca 0.02 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 1sqb n GLU 27 Cb 0.15 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 1sqb n GLU 27 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1sqb n SER 28 N -1.72 0.57 -0.23 1.62 3.41 -1.11 -4.82 113.62 111.34 1sqb n SER 28 Ca 0.03 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 1sqb n SER 28 Cb 0.16 0.03 0.23 0.00 -0.26 0.00 0.00 64.21 64.37 1sqb n SER 28 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1sqb h SER 29 N 0.00 0.89 -0.07 4.04 4.64 -1.13 -0.29 113.55 121.63 1sqb h SER 29 Ca 0.00 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1sqb h SER 29 Cb 0.19 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1sqb h SER 29 CO 0.00 0.65 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.24 1sqb h GLU 30 N 1.05 0.14 -0.21 4.77 5.08 -1.88 -1.61 114.58 121.91 1sqb h GLU 30 Ca 0.28 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1sqb h GLU 30 Cb -0.12 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1sqb h GLU 30 CO -0.06 0.52 -0.12 0.00 -1.00 0.00 0.00 179.01 178.35 1sqb h ALA 31 N 0.61 1.40 0.11 3.43 0.00 -1.83 0.22 119.26 123.20 1sqb h ALA 31 Ca 0.01 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1sqb h ALA 31 Cb 0.48 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.18 1sqb h ALA 31 CO 0.01 0.42 -0.70 0.00 0.00 0.00 0.00 179.25 178.98 1sqb h ARG 32 N 0.33 0.27 -0.78 0.00 3.08 -1.03 -1.97 114.38 114.28 1sqb h ARG 32 Ca 0.06 -0.44 -0.03 0.00 0.07 0.00 0.00 59.98 59.64 1sqb h ARG 32 Cb 0.42 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 1sqb h ARG 32 CO 0.02 1.20 0.37 0.87 -1.07 0.00 0.00 179.97 181.36 1sqb h LYS 33 N -0.43 1.13 -0.26 0.04 1.57 -1.29 -2.68 116.57 114.66 1sqb h LYS 33 Ca -0.12 -0.17 0.05 0.00 -1.87 0.00 0.00 60.65 58.54 1sqb h LYS 33 Cb 1.54 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 33.59 1sqb h LYS 33 CO 0.13 0.88 -0.08 0.78 -0.57 0.00 0.00 179.45 180.59 1sqb h GLY 34 N 1.11 0.16 0.96 3.86 0.00 -0.60 0.44 103.07 108.99 1sqb h GLY 34 Ca 0.27 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 1sqb h GLY 34 CO -0.03 -0.11 -0.24 -2.75 0.00 0.00 0.00 176.54 173.40 1sqb h PHE 35 N -0.03 -0.63 -0.54 5.60 3.57 -1.26 -0.41 116.94 123.24 1sqb h PHE 35 Ca 0.13 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1sqb h PHE 35 Cb 0.22 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1sqb h PHE 35 CO -0.27 -0.37 0.36 0.77 -2.23 0.00 0.00 178.31 176.57 1sqb h SER 36 N -0.73 0.62 0.96 0.41 0.02 -1.28 -2.26 113.55 111.29 1sqb h SER 36 Ca -0.07 -0.02 -0.21 0.00 -0.84 0.00 0.00 61.79 60.66 1sqb h SER 36 Cb 0.55 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1sqb h SER 36 CO 0.11 0.44 -0.99 1.88 -1.14 0.00 0.00 176.83 177.14 1sqb h TYR 37 N 0.73 0.02 -0.73 3.45 0.05 -0.85 -3.03 116.97 116.61 1sqb h TYR 37 Ca 0.20 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.94 1sqb h TYR 37 Cb -0.07 -0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.63 1sqb h TYR 37 CO -0.00 0.99 0.35 1.25 -1.05 0.00 0.00 178.16 179.70 1sqb h LEU 38 N 0.00 0.94 -0.57 3.88 5.85 -0.52 0.21 115.31 125.11 1sqb h LEU 38 Ca -0.01 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1sqb h LEU 38 Cb 1.74 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.49 1sqb h LEU 38 CO 0.13 0.80 0.35 0.58 -0.34 0.00 0.00 178.44 179.96 1sqb h VAL 39 N 1.04 1.07 -0.12 1.05 2.07 -1.46 -0.91 116.25 118.99 1sqb h VAL 39 Ca 0.25 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1sqb h VAL 39 Cb 0.11 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1sqb h VAL 39 CO -0.03 0.13 0.03 0.74 0.02 0.00 0.00 177.57 178.45 1sqb h THR 40 N 0.69 1.20 0.02 2.57 2.02 -1.26 -0.16 112.91 117.98 1sqb h THR 40 Ca 0.23 -0.61 0.02 0.00 0.77 0.00 0.00 66.41 66.82 1sqb h THR 40 Cb 0.02 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1sqb h THR 40 CO -0.10 0.18 -0.16 0.00 0.37 0.00 0.00 175.52 175.82 1sqb h ALA 41 N 0.82 -0.20 -0.91 6.16 0.00 -0.45 -0.84 119.26 123.84 1sqb h ALA 41 Ca 0.04 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1sqb h ALA 41 Cb 0.25 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1sqb h ALA 41 CO 0.00 -0.65 0.60 1.15 0.00 0.00 0.00 179.25 180.35 1sqb h THR 42 N -0.27 1.21 -0.16 0.00 2.02 -1.15 0.88 112.91 115.44 1sqb h THR 42 Ca 0.05 -0.42 0.04 0.00 0.77 0.00 0.00 66.41 66.85 1sqb h THR 42 Cb 0.32 -0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 66.59 1sqb h THR 42 CO -0.14 0.22 -0.07 0.74 0.37 0.00 0.00 175.52 176.64 1sqb h THR 43 N 1.21 0.76 -0.65 3.16 2.02 -0.60 -0.58 112.91 118.23 1sqb h THR 43 Ca 0.34 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.48 1sqb h THR 43 Cb -0.10 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1sqb h THR 43 CO -0.09 0.00 0.25 0.74 0.37 0.00 0.00 175.52 176.79 1sqb h THR 44 N -0.05 1.24 -0.64 3.16 2.02 -0.46 -0.93 112.91 117.25 1sqb h THR 44 Ca 0.09 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.51 1sqb h THR 44 Cb 0.19 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1sqb h THR 44 CO -0.20 0.30 0.41 0.58 0.37 0.00 0.00 175.52 176.99 1sqb h VAL 45 N 0.93 1.13 -0.44 3.16 2.07 -0.56 0.35 116.25 122.89 1sqb h VAL 45 Ca 0.22 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 1sqb h VAL 45 Cb 0.23 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1sqb h VAL 45 CO -0.02 0.15 -0.08 1.23 0.02 0.00 0.00 177.57 178.88 1sqb h GLY 46 N 0.83 0.90 1.19 2.17 0.00 -0.78 -2.10 103.07 105.28 1sqb h GLY 46 Ca 0.24 -0.72 -0.13 0.00 0.00 0.00 0.00 47.33 46.72 1sqb h GLY 46 CO -0.07 0.66 -0.26 -2.08 0.00 0.00 0.00 176.54 174.79 1sqb h VAL 47 N 0.66 1.27 -0.83 4.60 2.07 -0.80 -2.60 116.25 120.61 1sqb h VAL 47 Ca 0.11 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 1sqb h VAL 47 Cb 0.61 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1sqb h VAL 47 CO 0.04 0.48 0.42 0.00 0.02 0.00 0.00 177.57 178.53 1sqb h ALA 48 N 0.91 1.18 -0.06 1.67 0.00 -0.22 0.32 119.26 123.06 1sqb h ALA 48 Ca 0.09 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1sqb h ALA 48 Cb 0.83 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1sqb h ALA 48 CO 0.07 0.64 -0.02 -0.92 0.00 0.00 0.00 179.25 179.03 1sqb h TYR 49 N 1.18 -0.04 -0.07 0.00 5.03 -1.30 -2.18 116.97 119.59 1sqb h TYR 49 Ca 0.29 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.60 1sqb h TYR 49 Cb 0.08 0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.38 1sqb h TYR 49 CO 0.01 -0.03 0.01 0.00 -1.32 0.00 0.00 178.16 176.83 1sqb h ALA 50 N 1.05 0.10 -0.67 1.82 0.00 -0.99 -2.98 119.26 117.59 1sqb h ALA 50 Ca 0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1sqb h ALA 50 Cb 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1sqb h ALA 50 CO -0.06 -0.25 0.16 0.00 0.00 0.00 0.00 179.25 179.10 1sqb h ALA 51 N 0.76 1.03 -0.13 0.00 0.00 -0.42 -2.40 119.26 118.10 1sqb h ALA 51 Ca 0.02 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1sqb h ALA 51 Cb 0.30 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1sqb h ALA 51 CO 0.00 0.64 -0.19 -0.22 0.00 0.00 0.00 179.25 179.48 1sqb h LYS 52 N 1.01 -0.24 0.00 0.00 1.63 -1.41 -0.82 116.57 116.74 1sqb h LYS 52 Ca 0.21 0.02 0.01 0.00 -0.85 0.00 0.00 60.65 60.04 1sqb h LYS 52 Cb 0.35 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 1sqb h LYS 52 CO 0.00 -0.16 -0.07 -0.91 -3.45 0.00 0.00 179.45 174.87 1sqb h ASN 53 N -0.25 -0.19 -0.56 4.20 4.21 -1.28 0.35 115.58 122.06 1sqb h ASN 53 Ca 0.10 0.03 -0.07 0.00 1.21 0.00 0.00 56.30 57.57 1sqb h ASN 53 Cb 0.39 0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.65 1sqb h ASN 53 CO -0.27 -0.10 0.07 0.58 -1.29 0.00 0.00 177.43 176.42 1sqb h VAL 54 N -0.12 1.26 -0.66 2.81 2.07 -1.43 0.12 116.25 120.31 1sqb h VAL 54 Ca 0.03 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1sqb h VAL 54 Cb 0.15 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1sqb h VAL 54 CO -0.07 0.36 0.40 0.58 0.02 0.00 0.00 177.57 178.87 1sqb h VAL 55 N 0.84 1.19 -0.41 2.57 2.07 -0.75 -1.82 116.25 119.94 1sqb h VAL 55 Ca 0.17 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 1sqb h VAL 55 Cb 0.44 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1sqb h VAL 55 CO 0.01 0.19 0.06 0.28 0.02 0.00 0.00 177.57 178.13 1sqb h SER 56 N 0.89 0.66 -0.82 0.57 0.02 0.12 -1.05 113.55 113.95 1sqb h SER 56 Ca 0.24 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1sqb h SER 56 Cb -0.04 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.29 1sqb h SER 56 CO -0.05 0.76 0.38 1.56 -1.14 0.00 0.00 176.83 178.35 1sqb h GLN 57 N 0.54 1.19 -0.15 3.45 4.20 -0.65 0.37 115.11 124.06 1sqb h GLN 57 Ca 0.12 -0.18 -0.15 0.00 0.06 0.00 0.00 58.65 58.50 1sqb h GLN 57 Cb 0.39 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1sqb h GLN 57 CO 0.01 0.92 -0.55 0.74 -0.67 0.00 0.00 178.83 179.28 1sqb h PHE 58 N 1.18 0.55 -0.29 2.96 -1.00 -1.22 -2.55 116.94 116.57 1sqb h PHE 58 Ca 0.28 -0.20 -0.05 0.00 2.81 0.00 0.00 57.97 60.82 1sqb h PHE 58 Cb 0.14 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 1sqb h PHE 58 CO 0.02 0.89 -0.00 0.28 -1.61 0.00 0.00 178.31 177.88 1sqb h VAL 59 N 0.34 1.26 -0.13 -0.55 2.07 -0.62 -3.12 116.25 115.49 1sqb h VAL 59 Ca 0.01 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 1sqb h VAL 59 Cb 1.07 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1sqb h VAL 59 CO 0.10 0.30 -0.09 0.28 0.02 0.00 0.00 177.57 178.18 1sqb h SER 60 N 0.30 0.18 0.05 0.57 0.02 -0.24 -2.42 113.55 112.01 1sqb h SER 60 Ca 0.08 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1sqb h SER 60 Cb 0.44 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1sqb h SER 60 CO 0.02 0.30 0.00 -1.54 -1.14 0.00 0.00 176.83 174.47 1sqb n SER 61 N -4.33 0.00 -0.03 3.07 3.41 -0.96 -1.68 113.62 113.10 1sqb n SER 61 Ca -0.01 -0.01 -0.02 0.00 -0.26 0.00 0.00 58.87 58.57 1sqb n SER 61 Cb 0.23 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 1sqb n SER 61 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1sqb n MET 62 N -1.13 2.38 0.09 4.33 2.81 -0.91 -4.85 117.12 119.84 1sqb n MET 62 Ca 0.04 -0.02 -0.19 0.00 -1.81 0.00 0.00 57.70 55.73 1sqb n MET 62 Cb 0.03 -1.18 -0.11 0.00 -0.71 0.00 0.00 33.22 31.25 1sqb n MET 62 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1sqb h SER 63 N 0.00 0.68 0.00 7.83 4.64 -1.35 -3.46 113.55 121.90 1sqb h SER 63 Ca -0.16 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.52 1sqb h SER 63 Cb 1.26 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1sqb h SER 63 CO 0.01 1.46 0.00 0.00 -0.87 0.00 0.00 176.83 177.43 1sqb n ALA 64 N -2.61 0.37 -0.94 5.18 0.00 -1.24 -5.12 120.51 116.15 1sqb n ALA 64 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1sqb n ALA 64 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.41 1sqb n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sqb n SER 65 N 0.00 -1.25 -0.49 0.00 2.88 -1.26 -4.79 113.62 108.70 1sqb n SER 65 Ca 0.00 0.00 0.41 0.00 -1.33 0.00 0.00 58.87 57.95 1sqb n SER 65 Cb 0.00 -0.63 0.69 0.00 -0.75 0.00 0.00 64.21 63.53 1sqb n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sqb h ALA 66 N 0.00 2.92 0.00 -1.46 0.00 -2.00 0.26 119.26 118.98 1sqb h ALA 66 Ca 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1sqb h ALA 66 Cb 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1sqb h ALA 66 CO 0.00 -1.61 -0.46 0.38 0.00 0.00 0.00 179.25 177.56 1sqb h ASP 67 N 0.00 0.00 0.26 0.00 2.03 -2.00 -2.81 116.42 113.90 1sqb h ASP 67 Ca 0.89 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 56.85 1sqb h ASP 67 Cb 2.93 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 41.45 1sqb h ASP 67 CO -0.43 0.46 -1.61 0.58 -1.03 0.00 0.00 179.24 177.20 1sqb h VAL 68 N 0.00 1.11 0.00 4.15 2.07 -0.83 -3.36 116.25 119.40 1sqb h VAL 68 Ca -0.00 -2.63 -0.04 0.00 0.82 0.00 0.00 66.70 64.85 1sqb h VAL 68 Cb 1.00 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.65 1sqb h VAL 68 CO 0.06 0.84 -0.17 -0.07 0.02 0.00 0.00 177.57 178.25 1sqb h LEU 69 N 0.12 0.00 0.00 2.57 3.38 -1.45 -2.29 115.31 117.63 1sqb h LEU 69 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1sqb h LEU 69 Cb 2.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.87 1sqb h LEU 69 CO 0.22 0.17 -0.10 0.00 0.09 0.00 0.00 178.44 178.81 1sqb h ALA 70 N 1.83 0.94 -0.44 1.53 0.00 -1.65 -3.18 119.26 118.28 1sqb h ALA 70 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sqb h ALA 70 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1sqb h ALA 70 CO 0.02 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.94 1sqb n MET 71 N -2.45 2.57 0.11 0.00 2.81 -0.86 -4.36 117.12 114.93 1sqb n MET 71 Ca 0.05 -1.82 -0.01 0.00 -1.81 0.00 0.00 57.70 54.11 1sqb n MET 71 Cb 0.46 -1.58 0.24 0.00 -0.71 0.00 0.00 33.22 31.63 1sqb n MET 71 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1sqb h SER 72 N 2.71 0.19 -3.34 7.83 0.87 -1.60 -3.37 113.55 116.83 1sqb h SER 72 Ca 0.00 -0.08 -0.67 0.00 -1.23 0.00 0.00 61.79 59.81 1sqb h SER 72 Cb 0.91 -0.05 -0.32 0.00 -0.44 0.00 0.00 62.40 62.49 1sqb h SER 72 CO 0.10 0.59 -0.79 -0.54 -0.53 0.00 0.00 176.83 175.67 1sqb s LYS 73 N -4.10 2.97 0.17 2.24 1.02 -1.26 -4.52 119.74 116.26 1sqb s LYS 73 Ca -0.04 -0.87 0.11 0.00 0.02 0.00 0.00 55.97 55.19 1sqb s LYS 73 Cb 0.13 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.57 1sqb s LYS 73 CO 0.76 -0.30 -0.24 -1.50 -0.92 0.00 0.00 175.35 173.16 1sqb s ILE 74 N 1.33 2.23 -0.14 2.17 1.10 -1.26 -4.93 121.20 121.71 1sqb s ILE 74 Ca 0.03 -1.93 -0.11 0.00 -0.51 0.00 0.00 60.65 58.13 1sqb s ILE 74 Cb -0.15 -2.03 -0.05 0.00 0.15 0.00 0.00 42.46 40.38 1sqb s ILE 74 CO -0.07 -0.09 0.21 -0.70 -2.11 0.00 0.00 174.94 172.17 1sqb s GLU 75 N -2.51 3.93 0.08 3.50 2.12 -1.26 -3.08 118.70 121.48 1sqb s GLU 75 Ca 0.18 -0.03 0.04 0.00 0.36 0.00 0.00 54.97 55.51 1sqb s GLU 75 Cb -0.08 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 1sqb s GLU 75 CO 0.08 0.49 -0.11 0.96 -0.54 0.00 0.00 175.26 176.14 1sqb s ILE 76 N -0.24 0.89 -0.02 -3.70 -5.25 -1.24 -5.09 121.20 106.55 1sqb s ILE 76 Ca 0.14 -1.41 -0.25 0.00 -0.99 0.00 0.00 60.65 58.14 1sqb s ILE 76 Cb -0.13 -1.10 -0.04 0.00 2.95 0.00 0.00 42.46 44.14 1sqb s ILE 76 CO 0.03 -0.43 0.78 -0.54 -1.79 0.00 0.00 174.94 173.00 1sqb s LYS 77 N -2.22 4.48 0.00 0.37 -0.14 -1.26 -3.87 119.74 117.10 1sqb s LYS 77 Ca -0.00 1.05 0.27 0.00 -1.36 0.00 0.00 55.97 55.93 1sqb s LYS 77 Cb -0.06 -3.43 0.93 0.00 -1.68 0.00 0.00 37.83 33.58 1sqb s LYS 77 CO 0.01 0.09 1.68 1.28 -0.76 0.00 0.00 175.35 177.64 1sqb n LEU 78 N 3.58 1.71 -0.00 3.17 4.77 -0.56 -4.15 117.00 125.51 1sqb n LEU 78 Ca 0.00 -0.57 0.05 0.00 -0.03 0.00 0.00 56.01 55.46 1sqb n LEU 78 Cb 0.51 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 1sqb n LEU 78 CO 0.48 0.29 -0.55 -1.20 -1.33 0.00 0.00 177.39 175.08 1sqb n SER 79 N 0.34 2.27 -0.03 -1.43 7.64 -1.26 -4.66 113.62 116.49 1sqb n SER 79 Ca 0.18 -0.10 -0.05 0.00 1.01 0.00 0.00 58.87 59.91 1sqb n SER 79 Cb 0.39 1.42 0.16 0.00 -1.01 0.00 0.00 64.21 65.17 1sqb n SER 79 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1sqb h ASP 80 N 0.00 0.61 -3.37 6.43 3.58 -1.93 -3.44 116.42 118.30 1sqb h ASP 80 Ca 0.00 -0.21 -0.62 0.00 0.42 0.00 0.00 57.03 56.62 1sqb h ASP 80 Cb 0.46 -0.17 -0.16 0.00 1.72 0.00 0.00 39.33 41.18 1sqb h ASP 80 CO 0.00 0.83 -0.55 -0.63 -2.88 0.00 0.00 179.24 176.01 1sqb s ILE 81 N -4.57 4.93 0.04 2.25 1.09 -1.26 -5.12 121.20 118.55 1sqb s ILE 81 Ca -0.08 0.02 -0.01 0.00 -1.10 0.00 0.00 60.65 59.48 1sqb s ILE 81 Cb 0.14 -3.24 0.01 0.00 -1.06 0.00 0.00 42.46 38.30 1sqb s ILE 81 CO 0.81 0.43 0.06 -0.81 -0.10 0.00 0.00 174.94 175.32 1sqb n PRO 82 N 3.79 -0.02 -2.13 2.79 -0.04 -1.26 -5.00 135.00 133.12 1sqb n PRO 82 Ca -0.16 -0.09 -0.42 0.00 -0.04 0.00 0.00 63.50 62.78 1sqb n PRO 82 Cb 0.52 -0.06 -0.03 0.00 -0.04 0.00 0.00 33.50 33.89 1sqb n PRO 82 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1sqb s GLU 83 N -3.09 4.28 0.00 0.54 2.02 -1.26 -3.75 118.70 117.43 1sqb s GLU 83 Ca 0.03 2.10 0.00 0.00 0.02 0.00 0.00 54.97 57.12 1sqb s GLU 83 Cb -0.00 -3.43 0.00 0.00 0.10 0.00 0.00 34.13 30.80 1sqb s GLU 83 CO 0.02 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.16 1sqb n GLY 84 N 3.66 2.54 3.73 -1.39 0.00 -0.33 -4.98 105.19 108.42 1sqb n GLY 84 Ca 0.13 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 1sqb n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqb s LYS 85 N 0.00 2.17 0.04 1.61 1.02 -1.25 -4.64 119.74 118.70 1sqb s LYS 85 Ca 0.00 1.65 0.06 0.00 0.02 0.00 0.00 55.97 57.70 1sqb s LYS 85 Cb 0.00 -1.85 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 1sqb s LYS 85 CO 0.00 -1.78 -0.14 -0.80 -0.92 0.00 0.00 175.35 171.71 1sqb s ASN 86 N -2.23 4.13 0.04 2.83 -0.87 -1.26 -4.14 114.94 113.45 1sqb s ASN 86 Ca 0.72 -0.35 0.07 0.00 -1.57 0.00 0.00 52.86 51.73 1sqb s ASN 86 Cb -0.27 -0.78 -0.03 0.00 -0.02 0.00 0.00 41.25 40.15 1sqb s ASN 86 CO 0.46 0.25 -0.18 -0.32 -2.57 0.00 0.00 177.10 174.74 1sqb s MET 87 N -1.58 2.07 -0.34 -0.60 1.75 -1.25 -5.00 119.30 114.35 1sqb s MET 87 Ca 0.17 -0.98 -0.10 0.00 -1.25 0.00 0.00 55.69 53.53 1sqb s MET 87 Cb -0.11 -2.19 0.02 0.00 2.84 0.00 0.00 34.83 35.39 1sqb s MET 87 CO 0.07 0.54 0.17 0.00 -0.65 0.00 0.00 175.02 175.15 1sqb s ALA 88 N -0.93 3.23 -0.10 4.11 0.00 -1.26 -4.22 121.76 122.58 1sqb s ALA 88 Ca 0.15 -1.59 -0.09 0.00 0.00 0.00 0.00 51.96 50.43 1sqb s ALA 88 Cb -0.10 -2.45 0.03 0.00 0.00 0.00 0.00 23.12 20.59 1sqb s ALA 88 CO 0.05 -1.19 0.27 0.12 0.00 0.00 0.00 175.76 175.02 1sqb s PHE 89 N 1.55 -0.31 -0.62 0.00 5.36 -1.24 -5.04 117.98 117.68 1sqb s PHE 89 Ca 0.02 0.74 -0.24 0.00 -0.96 0.00 0.00 56.93 56.49 1sqb s PHE 89 Cb -0.18 0.10 0.05 0.00 -0.34 0.00 0.00 43.02 42.65 1sqb s PHE 89 CO 0.06 -0.16 1.01 0.21 -1.46 0.00 0.00 175.22 174.88 1sqb s LYS 90 N 0.29 3.24 -0.19 10.12 2.20 -1.26 -1.09 119.74 133.05 1sqb s LYS 90 Ca -0.01 -0.44 -0.01 0.00 -0.36 0.00 0.00 55.97 55.14 1sqb s LYS 90 Cb -0.03 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.16 1sqb s LYS 90 CO -0.01 -1.71 -0.12 -0.46 -0.36 0.00 0.00 175.35 172.70 1sqb s TRP 91 N 4.29 2.86 0.00 4.03 -0.00 -1.26 -4.67 118.94 124.20 1sqb s TRP 91 Ca 0.29 -1.12 0.00 0.00 -0.00 0.00 0.00 56.10 55.26 1sqb s TRP 91 Cb -0.13 -1.99 0.00 0.00 -0.00 0.00 0.00 33.47 31.35 1sqb s TRP 91 CO 0.16 -0.57 0.00 0.54 -0.00 0.00 0.00 176.95 177.07 1sqb n ARG 92 N 4.48 0.00 0.00 5.86 1.74 -1.26 -3.05 116.66 124.44 1sqb n ARG 92 Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 1sqb n ARG 92 Cb 0.51 -3.92 0.00 0.00 -1.02 0.00 0.00 32.46 28.03 1sqb n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sqb n GLY 93 N -2.00 3.46 3.76 -0.13 0.00 -1.26 -5.06 105.19 103.96 1sqb n GLY 93 Ca 0.00 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 1sqb n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqb s LYS 94 N 0.00 4.35 0.17 1.61 -0.14 -1.17 -4.94 119.74 119.61 1sqb s LYS 94 Ca 0.00 0.78 -0.33 0.00 -1.36 0.00 0.00 55.97 55.06 1sqb s LYS 94 Cb 0.00 -3.35 -0.16 0.00 -1.68 0.00 0.00 37.83 32.64 1sqb s LYS 94 CO 0.00 0.34 1.22 -2.30 -0.76 0.00 0.00 175.35 173.85 1sqb n PRO 95 N 2.80 1.25 -3.48 -1.68 -0.02 -1.26 -4.03 135.00 128.57 1sqb n PRO 95 Ca -0.06 0.45 -0.38 0.00 -2.02 0.00 0.00 63.50 61.49 1sqb n PRO 95 Cb 0.51 -1.98 -0.09 0.00 -0.02 0.00 0.00 33.50 31.92 1sqb n PRO 95 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1sqb s LEU 96 N 0.59 4.09 -0.22 2.45 2.96 -0.25 -0.91 118.68 127.39 1sqb s LEU 96 Ca 0.74 0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 54.86 1sqb s LEU 96 Cb -0.85 -2.33 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 1sqb s LEU 96 CO 0.51 -0.07 0.05 -0.36 -1.32 0.00 0.00 176.35 175.16 1sqb s PHE 97 N 1.55 3.12 -0.36 5.38 0.08 -0.93 -3.73 117.98 123.09 1sqb s PHE 97 Ca 0.13 -0.27 -0.02 0.00 0.12 0.00 0.00 56.93 56.89 1sqb s PHE 97 Cb -0.15 -2.15 0.08 0.00 -0.57 0.00 0.00 43.02 40.23 1sqb s PHE 97 CO 0.08 -0.17 0.10 0.08 -0.10 0.00 0.00 175.22 175.21 1sqb s VAL 98 N 1.09 3.12 -0.18 -0.44 1.01 -1.26 -1.32 120.40 122.42 1sqb s VAL 98 Ca 0.04 -1.76 -0.06 0.00 0.00 0.00 0.00 61.98 60.20 1sqb s VAL 98 Cb -0.14 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1sqb s VAL 98 CO 0.03 -0.42 0.04 -0.60 0.00 0.00 0.00 175.10 174.14 1sqb s ARG 99 N 1.18 3.89 -0.25 2.72 3.52 -1.15 -3.90 118.95 124.96 1sqb s ARG 99 Ca 0.02 -0.39 -0.16 0.00 -0.13 0.00 0.00 55.73 55.08 1sqb s ARG 99 Cb -0.21 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.01 1sqb s ARG 99 CO -0.03 0.26 0.40 -1.58 -0.81 0.00 0.00 175.30 173.55 1sqb s HIS 100 N 0.38 3.27 -0.32 5.12 5.65 -1.26 -3.05 115.29 125.09 1sqb s HIS 100 Ca 0.01 0.49 -0.20 0.00 0.25 0.00 0.00 55.06 55.62 1sqb s HIS 100 Cb -0.13 -2.59 -0.01 0.00 -1.18 0.00 0.00 32.58 28.67 1sqb s HIS 100 CO 0.01 -0.20 0.60 1.03 -0.65 0.00 0.00 174.74 175.53 1sqb s ARG 101 N 1.96 3.82 0.63 2.88 0.52 -1.24 -1.19 118.95 126.34 1sqb s ARG 101 Ca 0.17 0.17 -0.05 0.00 -0.52 0.00 0.00 55.73 55.50 1sqb s ARG 101 Cb -0.16 -3.75 0.04 0.00 0.52 0.00 0.00 34.95 31.60 1sqb s ARG 101 CO 0.09 -0.60 0.92 -0.08 0.02 0.00 0.00 175.30 175.65 1sqb s THR 102 N 2.57 2.90 0.57 0.02 -1.32 -1.26 -4.84 115.64 114.27 1sqb s THR 102 Ca 0.23 -0.25 0.26 0.00 -1.21 0.00 0.00 61.69 60.73 1sqb s THR 102 Cb -0.15 -3.18 0.36 0.00 -1.51 0.00 0.00 72.50 68.02 1sqb s THR 102 CO 0.12 -0.18 2.08 0.11 -2.21 0.00 0.00 174.62 174.55 1sqb h LYS 103 N -0.30 0.00 -0.80 7.08 1.79 -2.00 -2.28 116.57 120.07 1sqb h LYS 103 Ca -0.44 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 57.97 1sqb h LYS 103 Cb 1.29 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.91 1sqb h LYS 103 CO 0.59 0.00 0.07 1.17 -1.08 0.00 0.00 179.45 180.20 1sqb n LYS 104 N -4.03 2.97 0.00 3.15 4.81 -1.26 -4.33 118.16 119.46 1sqb n LYS 104 Ca 0.03 -1.79 0.00 0.00 -0.87 0.00 0.00 58.31 55.68 1sqb n LYS 104 Cb 0.36 -1.89 0.00 0.00 0.02 0.00 0.00 35.03 33.52 1sqb n LYS 104 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1sqb n GLU 105 N 0.21 0.00 -0.18 1.64 1.02 -0.87 -4.91 120.64 117.56 1sqb n GLU 105 Ca 0.19 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.26 1sqb n GLU 105 Cb 0.87 -0.49 0.02 0.00 -0.02 0.00 0.00 31.44 31.82 1sqb n GLU 105 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1sqb h ILE 106 N 0.00 1.18 0.00 -3.67 2.04 -1.72 -3.09 117.51 112.25 1sqb h ILE 106 Ca 0.00 -0.44 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 1sqb h ILE 106 Cb 0.00 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1sqb h ILE 106 CO 0.00 0.19 -0.19 0.44 0.00 0.00 0.00 178.15 178.59 1sqb h ASP 107 N 0.69 0.00 -0.26 1.72 3.32 -1.89 -3.08 116.42 116.91 1sqb h ASP 107 Ca 0.18 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 1sqb h ASP 107 Cb 0.05 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1sqb h ASP 107 CO -0.03 0.19 -0.20 1.56 -1.72 0.00 0.00 179.24 179.04 1sqb h GLN 108 N 0.00 0.72 -0.16 3.56 4.20 -1.89 -3.22 115.11 118.32 1sqb h GLN 108 Ca -0.00 -0.28 -0.20 0.00 0.06 0.00 0.00 58.65 58.23 1sqb h GLN 108 Cb 0.57 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1sqb h GLN 108 CO 0.02 0.87 -0.69 0.93 -0.67 0.00 0.00 178.83 179.30 1sqb h GLU 109 N 0.64 0.67 0.00 1.46 4.39 -1.63 -3.19 114.58 116.92 1sqb h GLU 109 Ca 0.09 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1sqb h GLU 109 Cb 0.69 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1sqb h GLU 109 CO 0.05 1.12 0.00 0.00 -1.16 0.00 0.00 179.01 179.02 1sqb n ALA 110 N -2.56 2.09 0.02 3.43 0.00 -1.24 -3.61 120.51 118.64 1sqb n ALA 110 Ca -0.05 -0.09 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 1sqb n ALA 110 Cb 0.69 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.65 1sqb n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sqb h ALA 111 N 2.85 0.64 -2.51 0.00 0.00 -1.56 -3.46 119.26 115.22 1sqb h ALA 111 Ca 0.00 -1.18 -0.53 0.00 0.00 0.00 0.00 54.91 53.19 1sqb h ALA 111 Cb 0.37 0.25 0.02 0.00 0.00 0.00 0.00 17.79 18.43 1sqb h ALA 111 CO 0.00 1.36 0.73 0.08 0.00 0.00 0.00 179.25 181.42 1sqb s VAL 112 N -2.69 3.46 0.91 0.00 1.01 -1.24 -4.99 120.40 116.86 1sqb s VAL 112 Ca -0.02 1.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.87 1sqb s VAL 112 Cb 0.09 -3.65 0.14 0.00 0.00 0.00 0.00 36.38 32.95 1sqb s VAL 112 CO 0.82 0.06 1.13 -0.62 0.00 0.00 0.00 175.10 176.49 1sqb n GLU 113 N 4.23 -0.38 0.06 2.72 -0.58 -1.26 -5.00 120.64 120.43 1sqb n GLU 113 Ca 0.12 -0.04 -0.12 0.00 -0.42 0.00 0.00 57.16 56.69 1sqb n GLU 113 Cb 0.43 -2.37 -0.08 0.00 -0.57 0.00 0.00 31.44 28.85 1sqb n GLU 113 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1sqb h VAL 114 N -1.77 0.97 -1.42 2.62 2.07 -1.97 -3.35 116.25 113.41 1sqb h VAL 114 Ca -0.43 -1.02 -0.66 0.00 0.82 0.00 0.00 66.70 65.40 1sqb h VAL 114 Cb 1.27 1.56 -0.19 0.00 -1.52 0.00 0.00 31.29 32.41 1sqb h VAL 114 CO 0.41 0.22 1.20 -1.54 0.02 0.00 0.00 177.57 177.88 1sqb n SER 115 N -4.95 7.25 -0.03 0.57 3.41 -1.26 -4.37 113.62 114.24 1sqb n SER 115 Ca -0.08 -3.36 -0.05 0.00 -0.26 0.00 0.00 58.87 55.11 1sqb n SER 115 Cb 0.26 -1.23 -0.02 0.00 -0.26 0.00 0.00 64.21 62.96 1sqb n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqb n GLN 116 N 0.75 0.13 -1.52 4.33 1.13 -1.26 -5.08 117.38 115.87 1sqb n GLN 116 Ca 0.54 0.04 -0.29 0.00 -1.94 0.00 0.00 57.00 55.35 1sqb n GLN 116 Cb 0.36 -0.91 0.18 0.00 0.11 0.00 0.00 30.24 29.98 1sqb n GLN 116 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1sqb s LEU 117 N -5.83 1.85 0.11 1.08 1.02 -1.26 -5.01 118.68 110.64 1sqb s LEU 117 Ca -0.08 0.68 -0.19 0.00 0.02 0.00 0.00 54.13 54.56 1sqb s LEU 117 Cb 0.03 -2.76 -0.06 0.00 0.02 0.00 0.00 46.19 43.41 1sqb s LEU 117 CO 0.12 -3.03 1.67 0.03 0.02 0.00 0.00 176.35 175.16 1sqb h ARG 118 N -1.83 0.36 -5.23 1.70 -0.00 -1.87 -3.42 114.38 104.09 1sqb h ARG 118 Ca -0.47 -0.06 -0.67 0.00 -0.50 0.00 0.00 59.98 58.28 1sqb h ARG 118 Cb 1.29 -0.06 -0.33 0.00 0.00 0.00 0.00 29.97 30.87 1sqb h ARG 118 CO 0.48 0.38 -0.86 -0.51 0.00 0.00 0.00 179.97 179.45 1sqb s ASP 119 N -5.62 3.20 -0.60 7.04 1.11 -1.26 -5.08 116.67 115.45 1sqb s ASP 119 Ca -0.13 -0.57 -0.26 0.00 0.18 0.00 0.00 52.55 51.76 1sqb s ASP 119 Cb 0.08 -1.46 -0.04 0.00 1.07 0.00 0.00 42.92 42.57 1sqb s ASP 119 CO 0.72 0.10 2.06 -2.16 1.18 0.00 0.00 175.17 177.07 1sqb s PRO 120 N 0.70 2.41 -0.05 8.23 0.04 -1.26 -4.94 135.00 140.13 1sqb s PRO 120 Ca -0.10 0.81 -0.02 0.00 0.04 0.00 0.00 61.00 61.74 1sqb s PRO 120 Cb -0.16 -4.51 0.03 0.00 0.04 0.00 0.00 34.50 29.90 1sqb s PRO 120 CO 0.01 -3.01 0.05 -0.65 0.04 0.00 0.00 177.00 173.43 1sqb s GLN 121 N 7.51 0.07 0.90 4.56 -0.21 -1.26 -5.13 119.66 126.10 1sqb s GLN 121 Ca 0.78 0.31 -0.12 0.00 0.02 0.00 0.00 55.36 56.35 1sqb s GLN 121 Cb -0.14 -0.60 0.13 0.00 1.00 0.00 0.00 33.01 33.41 1sqb s GLN 121 CO 0.21 -0.32 1.09 -1.01 -2.12 0.00 0.00 175.29 173.15 1sqb s HIS 122 N 2.07 2.36 -0.11 0.91 3.76 -1.26 -5.01 115.29 118.01 1sqb s HIS 122 Ca 0.04 1.19 0.16 0.00 -0.15 0.00 0.00 55.06 56.30 1sqb s HIS 122 Cb -0.12 -3.18 -0.17 0.00 1.11 0.00 0.00 32.58 30.21 1sqb s HIS 122 CO -0.03 -2.38 0.71 -3.47 -0.85 0.00 0.00 174.74 168.72 1sqb n ASP 123 N -3.86 0.77 -0.05 1.40 -0.08 -1.26 -4.09 116.55 109.37 1sqb n ASP 123 Ca 0.07 0.35 -0.08 0.00 -1.51 0.00 0.00 54.79 53.62 1sqb n ASP 123 Cb 0.56 0.23 0.09 0.00 2.34 0.00 0.00 41.12 44.34 1sqb n ASP 123 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1sqb h LEU 124 N 0.00 0.72 0.00 -2.67 4.07 -1.95 -3.18 115.31 112.30 1sqb h LEU 124 Ca -0.22 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.46 1sqb h LEU 124 Cb 1.72 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 43.26 1sqb h LEU 124 CO 0.05 0.97 -0.31 -1.84 -1.08 0.00 0.00 178.44 176.23 1sqb n GLU 125 N -4.08 0.07 0.00 1.13 -0.00 -1.26 -4.07 120.64 112.42 1sqb n GLU 125 Ca -0.01 0.03 0.13 0.00 -0.00 0.00 0.00 57.16 57.32 1sqb n GLU 125 Cb 0.47 -1.55 0.48 0.00 -0.00 0.00 0.00 31.44 30.84 1sqb n GLU 125 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1sqb n ARG 126 N -1.66 0.16 -4.22 3.44 0.63 -1.20 -4.85 116.66 108.95 1sqb n ARG 126 Ca 0.06 -0.05 -0.17 0.00 -0.92 0.00 0.00 57.85 56.77 1sqb n ARG 126 Cb 0.36 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.63 1sqb n ARG 126 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1sqb s VAL 127 N -2.88 0.58 0.23 5.15 -7.23 -1.26 -5.03 120.40 109.96 1sqb s VAL 127 Ca 0.16 -0.46 0.04 0.00 -1.81 0.00 0.00 61.98 59.91 1sqb s VAL 127 Cb 0.19 -0.52 -0.05 0.00 0.56 0.00 0.00 36.38 36.56 1sqb s VAL 127 CO 0.58 0.06 1.55 0.50 -0.31 0.00 0.00 175.10 177.48 1sqb h LYS 128 N 5.67 0.24 -3.30 4.82 3.64 -1.88 -3.45 116.57 122.30 1sqb h LYS 128 Ca -0.31 -0.17 -0.19 0.00 -1.27 0.00 0.00 60.65 58.72 1sqb h LYS 128 Cb 1.19 0.03 -0.27 0.00 -0.41 0.00 0.00 32.23 32.77 1sqb h LYS 128 CO 0.48 0.78 -0.52 0.15 -2.27 0.00 0.00 179.45 178.08 1sqb s LYS 129 N -3.73 0.20 0.40 1.90 3.01 -1.26 -5.07 119.74 115.20 1sqb s LYS 129 Ca -0.04 0.26 0.29 0.00 -1.01 0.00 0.00 55.97 55.46 1sqb s LYS 129 Cb 0.12 0.08 1.33 0.00 -1.01 0.00 0.00 37.83 38.35 1sqb s LYS 129 CO 0.80 -0.03 1.87 -1.35 0.51 0.00 0.00 175.35 177.14 1sqb h PRO 130 N 5.97 0.00 -0.33 -1.68 0.11 -1.97 -3.20 132.00 130.90 1sqb h PRO 130 Ca -0.26 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.69 1sqb h PRO 130 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1sqb h PRO 130 CO 0.40 0.00 -0.40 1.05 -0.21 0.00 0.00 178.00 178.84 1sqb h GLU 131 N 0.00 0.82 -4.78 1.05 4.11 -1.97 -3.46 114.58 110.34 1sqb h GLU 131 Ca 0.00 -0.43 -0.47 0.00 0.07 0.00 0.00 59.36 58.53 1sqb h GLU 131 Cb 0.27 0.02 -0.31 0.00 0.50 0.00 0.00 28.75 29.22 1sqb h GLU 131 CO 0.00 1.07 -0.80 -1.58 0.07 0.00 0.00 179.01 177.76 1sqb s TRP 132 N -4.33 1.18 -0.18 2.06 0.52 -1.21 -3.63 118.94 113.35 1sqb s TRP 132 Ca -0.10 -0.32 0.01 0.00 0.02 0.00 0.00 56.10 55.71 1sqb s TRP 132 Cb 0.11 -0.83 0.02 0.00 -1.15 0.00 0.00 33.47 31.63 1sqb s TRP 132 CO 0.86 -0.13 -0.18 0.54 0.02 0.00 0.00 176.95 178.07 1sqb s VAL 133 N 0.19 1.98 -0.25 4.03 0.11 -1.17 -4.65 120.40 120.63 1sqb s VAL 133 Ca -0.04 -0.94 -0.11 0.00 -2.93 0.00 0.00 61.98 57.96 1sqb s VAL 133 Cb -0.10 -1.82 -0.05 0.00 -1.53 0.00 0.00 36.38 32.88 1sqb s VAL 133 CO 0.01 0.48 0.18 -0.63 -3.33 0.00 0.00 175.10 171.81 1sqb s ILE 134 N 1.31 5.34 0.18 7.04 1.09 -1.26 -2.93 121.20 131.97 1sqb s ILE 134 Ca 0.04 0.21 0.10 0.00 -1.10 0.00 0.00 60.65 59.90 1sqb s ILE 134 Cb -0.14 -3.52 -0.04 0.00 -1.06 0.00 0.00 42.46 37.70 1sqb s ILE 134 CO -0.12 0.31 -0.22 -0.22 -0.10 0.00 0.00 174.94 174.60 1sqb s LEU 135 N 1.27 2.43 -0.19 2.97 2.96 -0.44 -4.51 118.68 123.17 1sqb s LEU 135 Ca 0.08 -0.86 -0.05 0.00 -0.22 0.00 0.00 54.13 53.08 1sqb s LEU 135 Cb -0.14 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.49 1sqb s LEU 135 CO 0.06 0.06 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.52 1sqb s ILE 136 N -1.79 3.95 -0.17 6.68 -1.09 -0.98 -2.20 121.20 125.61 1sqb s ILE 136 Ca 0.18 -0.32 -0.02 0.00 -2.23 0.00 0.00 60.65 58.27 1sqb s ILE 136 Cb -0.07 -2.78 0.02 0.00 -1.58 0.00 0.00 42.46 38.05 1sqb s ILE 136 CO 0.08 0.44 2.44 0.61 -1.23 0.00 0.00 174.94 177.28 1sqb n GLY 137 N 4.16 3.37 2.90 6.18 0.00 -0.09 -4.48 105.19 117.22 1sqb n GLY 137 Ca -0.17 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 1sqb n GLY 137 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sqb s VAL 138 N -0.85 -0.02 0.51 1.61 -7.23 -1.26 -3.97 120.40 109.19 1sqb s VAL 138 Ca 0.31 0.09 -0.21 0.00 -1.81 0.00 0.00 61.98 60.36 1sqb s VAL 138 Cb 0.19 -0.12 -0.06 0.00 0.56 0.00 0.00 36.38 36.95 1sqb s VAL 138 CO -0.03 0.04 1.20 0.00 -0.31 0.00 0.00 175.10 175.99 1sqb h THR 140 N 1.51 0.00 0.00 0.00 1.35 -1.86 -2.95 112.91 110.95 1sqb h THR 140 Ca -0.50 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1sqb h THR 140 Cb 1.27 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1sqb h THR 140 CO 0.58 0.00 0.00 1.57 -0.25 0.00 0.00 175.52 177.42 1sqb n HIS 141 N -2.30 0.00 -0.00 4.73 -0.00 -1.26 -4.84 115.22 111.55 1sqb n HIS 141 Ca 0.03 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.76 1sqb n HIS 141 Cb 0.28 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.99 30.07 1sqb n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1sqb n LEU 142 N -1.04 0.00 -0.06 0.27 4.77 -1.26 -5.09 117.00 114.59 1sqb n LEU 142 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1sqb n LEU 142 Cb 0.00 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1sqb n LEU 142 CO 0.00 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1sqb n GLY 143 N 2.47 0.55 3.05 -0.72 0.00 -1.11 -5.01 105.19 104.41 1sqb n GLY 143 Ca -0.01 -0.64 -0.17 0.00 0.00 0.00 0.00 46.02 45.20 1sqb n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqb s VAL 145 N -0.56 4.56 0.30 0.00 1.01 -1.25 -2.68 120.40 121.77 1sqb s VAL 145 Ca 0.00 1.71 -0.21 0.00 0.00 0.00 0.00 61.98 63.49 1sqb s VAL 145 Cb -0.05 -4.37 -0.09 0.00 0.00 0.00 0.00 36.38 31.86 1sqb s VAL 145 CO 0.00 -0.42 0.83 -2.84 0.00 0.00 0.00 175.10 172.67 1sqb s PRO 146 N 3.52 4.31 -0.26 2.72 0.02 -1.26 -4.59 135.00 139.46 1sqb s PRO 146 Ca 0.44 1.01 -0.29 0.00 0.02 0.00 0.00 61.00 62.18 1sqb s PRO 146 Cb -0.13 -2.67 -0.02 0.00 0.02 0.00 0.00 34.50 31.70 1sqb s PRO 146 CO 0.14 0.26 1.53 0.42 -0.33 0.00 0.00 177.00 179.01 1sqb s ILE 147 N -1.73 3.81 0.55 2.83 1.01 -0.69 -4.89 121.20 122.10 1sqb s ILE 147 Ca 0.50 0.91 -0.08 0.00 0.00 0.00 0.00 60.65 61.98 1sqb s ILE 147 Cb -0.15 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1sqb s ILE 147 CO 0.20 -0.37 0.91 0.00 0.00 0.00 0.00 174.94 175.67 1sqb s ALA 148 N 5.07 3.25 0.00 9.38 0.00 -1.26 -3.00 121.76 135.21 1sqb s ALA 148 Ca 0.67 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1sqb s ALA 148 Cb -0.22 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1sqb s ALA 148 CO 0.28 -0.52 0.00 0.09 0.00 0.00 0.00 175.76 175.61 1sqb n ASN 149 N -2.50 0.00 -2.95 0.00 3.02 -0.73 -4.66 115.26 107.44 1sqb n ASN 149 Ca 0.03 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.26 1sqb n ASN 149 Cb 0.55 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.67 1sqb n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sqb n ALA 150 N 0.00 6.71 -2.38 5.41 0.00 -1.23 -4.57 120.51 124.44 1sqb n ALA 150 Ca 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 53.44 50.02 1sqb n ALA 150 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 16.90 1sqb n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqb n GLY 151 N 1.65 3.31 1.08 0.00 0.00 -0.81 -4.95 105.19 105.46 1sqb n GLY 151 Ca 0.57 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1sqb n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sqb n ASP 152 N 0.00 0.84 -0.59 1.61 8.00 -1.26 -4.79 116.55 120.36 1sqb n ASP 152 Ca 0.00 0.12 0.05 0.00 0.71 0.00 0.00 54.79 55.67 1sqb n ASP 152 Cb 0.00 -0.24 0.14 0.00 -0.02 0.00 0.00 41.12 40.99 1sqb n ASP 152 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1sqb n PHE 153 N -3.29 0.43 0.00 1.24 3.72 -1.26 -4.66 117.46 113.64 1sqb n PHE 153 Ca 0.00 -0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 1sqb n PHE 153 Cb 0.00 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 1sqb n PHE 153 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sqb n GLY 154 N 0.95 -0.26 0.00 1.37 0.00 -1.25 -4.47 105.19 101.53 1sqb n GLY 154 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1sqb n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqb n GLY 155 N 0.00 3.39 3.85 -0.02 0.00 -1.25 -3.49 105.19 107.68 1sqb n GLY 155 Ca 0.00 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 1sqb n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sqb s TYR 156 N 0.00 3.45 -0.23 1.61 2.02 -1.11 -1.78 117.35 121.31 1sqb s TYR 156 Ca 0.00 1.10 -0.17 0.00 -0.37 0.00 0.00 57.07 57.62 1sqb s TYR 156 Cb 0.00 -2.43 0.07 0.00 -0.40 0.00 0.00 41.96 39.20 1sqb s TYR 156 CO 0.00 0.22 0.60 -0.47 -1.57 0.00 0.00 175.55 174.33 1sqb s TYR 157 N -1.82 -0.79 -0.16 2.71 5.04 -1.16 -2.86 117.35 118.32 1sqb s TYR 157 Ca 0.49 1.74 -0.20 0.00 -2.44 0.00 0.00 57.07 56.65 1sqb s TYR 157 Cb -0.12 0.37 -0.03 0.00 0.35 0.00 0.00 41.96 42.53 1sqb s TYR 157 CO 0.19 -0.39 0.60 0.00 -1.34 0.00 0.00 175.55 174.61 1sqb n PRO 159 N 4.50 1.64 0.00 0.00 -0.04 -1.26 -3.60 135.00 136.24 1sqb n PRO 159 Ca -0.03 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 1sqb n PRO 159 Cb 0.50 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1sqb n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sqb n HIS 161 N -1.05 0.00 0.00 0.00 8.25 -1.26 -5.11 115.22 116.05 1sqb n HIS 161 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1sqb n HIS 161 Cb 0.00 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 30.74 1sqb n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sqb n GLY 162 N 2.78 3.16 3.11 -1.41 0.00 -1.24 -5.07 105.19 106.52 1sqb n GLY 162 Ca -0.18 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 1sqb n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sqb s SER 163 N 0.00 0.12 -0.36 1.61 0.01 -1.26 -4.19 113.70 109.63 1sqb s SER 163 Ca 0.00 0.75 -0.18 0.00 1.31 0.00 0.00 55.95 57.82 1sqb s SER 163 Cb 0.00 0.95 -0.00 0.00 0.21 0.00 0.00 66.02 67.18 1sqb s SER 163 CO 0.00 -0.24 0.52 -1.00 0.41 0.00 0.00 173.24 172.93 1sqb s HIS 164 N 2.49 3.17 0.14 2.43 3.76 -0.07 -2.04 115.29 125.18 1sqb s HIS 164 Ca 0.00 0.13 0.10 0.00 -0.15 0.00 0.00 55.06 55.15 1sqb s HIS 164 Cb -0.12 -2.95 -0.04 0.00 1.11 0.00 0.00 32.58 30.58 1sqb s HIS 164 CO -0.10 -0.57 -0.23 0.71 -0.85 0.00 0.00 174.74 173.70 1sqb s TYR 165 N 2.40 2.38 0.00 1.40 2.02 -1.13 -0.49 117.35 123.93 1sqb s TYR 165 Ca 0.18 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 1sqb s TYR 165 Cb -0.15 -1.25 0.00 0.00 -0.40 0.00 0.00 41.96 40.15 1sqb s TYR 165 CO 0.14 0.40 0.00 -0.40 -1.57 0.00 0.00 175.55 174.11 1sqb n ASP 166 N 0.69 0.05 0.27 2.29 5.68 -1.25 -2.75 116.55 121.51 1sqb n ASP 166 Ca -0.16 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.25 1sqb n ASP 166 Cb 0.54 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.26 1sqb n ASP 166 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sqb h ALA 167 N -0.95 1.50 0.00 2.12 0.00 -1.86 -2.96 119.26 117.12 1sqb h ALA 167 Ca 0.00 -0.07 -0.38 0.00 0.00 0.00 0.00 54.91 54.46 1sqb h ALA 167 Cb 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1sqb h ALA 167 CO 0.00 0.10 -2.41 0.45 0.00 0.00 0.00 179.25 177.39 1sqb n SER 168 N -3.91 1.06 0.00 0.00 2.88 -1.26 -5.02 113.62 107.38 1sqb n SER 168 Ca -0.02 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1sqb n SER 168 Cb 0.17 0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 1sqb n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sqb n GLY 169 N 2.01 0.66 3.72 0.46 0.00 -1.12 -4.76 105.19 106.15 1sqb n GLY 169 Ca -0.39 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 1sqb n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqb s ARG 170 N 0.69 4.18 -0.16 1.61 0.52 -1.26 0.00 118.95 124.52 1sqb s ARG 170 Ca 0.00 -0.20 -0.29 0.00 -0.52 0.00 0.00 55.73 54.73 1sqb s ARG 170 Cb 0.00 -3.44 -0.06 0.00 0.52 0.00 0.00 34.95 31.98 1sqb s ARG 170 CO 0.00 0.26 2.07 -1.50 0.02 0.00 0.00 175.30 176.15 1sqb s ILE 171 N 0.48 3.11 -0.24 1.52 1.10 -1.26 -3.96 121.20 121.94 1sqb s ILE 171 Ca 0.09 0.12 0.06 0.00 -0.51 0.00 0.00 60.65 60.40 1sqb s ILE 171 Cb -0.12 -3.12 -0.19 0.00 0.15 0.00 0.00 42.46 39.18 1sqb s ILE 171 CO -0.01 -0.06 -0.16 0.54 -2.11 0.00 0.00 174.94 173.14 1sqb n ARG 172 N 8.32 0.66 -3.71 3.50 5.12 0.36 -4.81 116.66 126.10 1sqb n ARG 172 Ca 0.26 0.11 -0.11 0.00 -1.93 0.00 0.00 57.85 56.18 1sqb n ARG 172 Cb 0.44 -1.52 -0.11 0.00 -1.16 0.00 0.00 32.46 30.11 1sqb n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1sqb s LYS 173 N -2.51 0.38 0.00 5.56 2.20 -1.25 -4.98 119.74 119.14 1sqb s LYS 173 Ca -0.29 0.69 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 1sqb s LYS 173 Cb 0.08 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.42 1sqb s LYS 173 CO 0.65 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.92 1sqb n GLY 174 N 3.94 3.40 2.93 5.54 0.00 -1.26 -0.90 105.19 118.85 1sqb n GLY 174 Ca -0.21 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 1sqb n GLY 174 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sqb n PRO 175 N -0.98 2.02 -5.15 1.61 -0.02 -1.26 -4.88 135.00 126.35 1sqb n PRO 175 Ca 0.00 -2.07 -0.30 0.00 -2.02 0.00 0.00 63.50 59.11 1sqb n PRO 175 Cb 0.00 -3.00 -0.16 0.00 -0.02 0.00 0.00 33.50 30.31 1sqb n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sqb s ALA 176 N 4.26 2.01 0.07 3.55 0.00 -1.26 -4.95 121.76 125.43 1sqb s ALA 176 Ca 0.53 -0.94 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 1sqb s ALA 176 Cb 0.14 -0.67 -0.15 0.00 0.00 0.00 0.00 23.12 22.44 1sqb s ALA 176 CO 0.04 0.35 1.29 -1.00 0.00 0.00 0.00 175.76 176.44 1sqb h PRO 177 N 6.27 0.63 -5.00 0.00 0.13 -1.90 -3.48 132.00 128.65 1sqb h PRO 177 Ca -0.29 -0.48 -0.46 0.00 -0.87 0.00 0.00 66.00 63.90 1sqb h PRO 177 Cb 1.19 0.09 -0.14 0.00 0.13 0.00 0.00 31.00 32.27 1sqb h PRO 177 CO 0.47 1.10 -0.57 -0.51 -0.23 0.00 0.00 178.00 178.26 1sqb s LEU 178 N -8.62 1.87 0.99 1.56 1.02 -1.26 -4.57 118.68 109.68 1sqb s LEU 178 Ca -0.12 -1.52 -0.12 0.00 0.02 0.00 0.00 54.13 52.39 1sqb s LEU 178 Cb 0.07 -0.05 0.19 0.00 0.02 0.00 0.00 46.19 46.42 1sqb s LEU 178 CO 0.85 -0.81 1.08 0.20 0.02 0.00 0.00 176.35 177.69 1sqb s ASN 179 N -3.45 2.59 0.58 2.29 0.01 -1.26 -4.62 114.94 111.07 1sqb s ASN 179 Ca 0.33 1.42 -0.19 0.00 -0.71 0.00 0.00 52.86 53.70 1sqb s ASN 179 Cb 0.06 -2.10 -0.04 0.00 0.41 0.00 0.00 41.25 39.58 1sqb s ASN 179 CO 0.16 -3.19 1.22 -0.76 -1.51 0.00 0.00 177.10 173.02 1sqb s LEU 180 N -6.54 3.71 0.29 0.60 1.43 0.10 -4.75 118.68 113.52 1sqb s LEU 180 Ca 0.65 2.43 -0.29 0.00 -1.03 0.00 0.00 54.13 55.89 1sqb s LEU 180 Cb -0.20 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.38 1sqb s LEU 180 CO 0.59 -1.55 1.32 -1.61 0.23 0.00 0.00 176.35 175.32 1sqb s GLU 181 N -3.24 4.36 -0.04 1.70 2.02 -1.26 -4.98 118.70 117.27 1sqb s GLU 181 Ca 0.76 2.18 0.02 0.00 0.02 0.00 0.00 54.97 57.95 1sqb s GLU 181 Cb -0.32 -3.10 0.02 0.00 0.10 0.00 0.00 34.13 30.83 1sqb s GLU 181 CO 0.35 -0.21 -0.07 0.14 0.02 0.00 0.00 175.26 175.49 1sqb s VAL 182 N -0.76 0.67 0.49 2.63 -7.23 -1.26 -2.31 120.40 112.64 1sqb s VAL 182 Ca 0.52 -0.22 -0.05 0.00 -1.81 0.00 0.00 61.98 60.41 1sqb s VAL 182 Cb -0.39 -0.66 0.11 0.00 0.56 0.00 0.00 36.38 36.00 1sqb s VAL 182 CO 0.48 0.25 0.68 -0.81 -0.31 0.00 0.00 175.10 175.39 1sqb n PRO 183 N 3.85 -0.29 -1.91 4.82 -0.04 -1.26 -5.05 135.00 135.12 1sqb n PRO 183 Ca -0.24 -1.38 -0.32 0.00 -0.04 0.00 0.00 63.50 61.53 1sqb n PRO 183 Cb 0.52 -0.59 0.02 0.00 -0.04 0.00 0.00 33.50 33.41 1sqb n PRO 183 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1sqb s SER 184 N -3.58 5.67 -0.06 3.54 0.15 -1.26 -5.09 113.70 113.07 1sqb s SER 184 Ca 0.41 1.76 0.02 0.00 0.70 0.00 0.00 55.95 58.84 1sqb s SER 184 Cb -0.02 -2.52 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 1sqb s SER 184 CO 0.28 -1.24 -0.11 -0.31 1.20 0.00 0.00 173.24 173.05 1sqb s TYR 185 N -2.63 1.33 -0.12 3.44 2.02 -1.26 -4.49 117.35 115.63 1sqb s TYR 185 Ca 0.62 -0.45 -0.27 0.00 -0.37 0.00 0.00 57.07 56.60 1sqb s TYR 185 Cb -0.15 -0.98 0.06 0.00 -0.40 0.00 0.00 41.96 40.49 1sqb s TYR 185 CO 0.42 -0.24 0.64 -1.83 -1.57 0.00 0.00 175.55 172.98 1sqb s GLU 186 N 0.59 0.92 0.09 -0.62 -1.05 -1.26 -5.10 118.70 112.26 1sqb s GLU 186 Ca -0.12 0.48 0.08 0.00 -0.15 0.00 0.00 54.97 55.25 1sqb s GLU 186 Cb -0.14 0.44 -0.03 0.00 -0.44 0.00 0.00 34.13 33.95 1sqb s GLU 186 CO 0.03 -0.23 -0.21 -0.06 0.95 0.00 0.00 175.26 175.74 1sqb s PHE 187 N -0.61 1.80 0.00 4.83 0.08 -1.26 -4.74 117.98 118.08 1sqb s PHE 187 Ca -0.07 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.58 1sqb s PHE 187 Cb -0.02 -1.01 0.00 0.00 -0.57 0.00 0.00 43.02 41.42 1sqb s PHE 187 CO 0.06 0.18 0.00 2.41 -0.10 0.00 0.00 175.22 177.77 1sqb n THR 188 N 1.30 0.00 -4.09 0.64 -1.04 -1.26 -5.10 114.28 104.72 1sqb n THR 188 Ca -0.19 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.68 1sqb n THR 188 Cb 0.53 -0.15 -0.12 0.00 -1.82 0.00 0.00 70.33 68.77 1sqb n THR 188 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1sqb s SER 189 N -2.69 0.80 0.26 8.00 1.04 -1.26 -5.07 113.70 114.78 1sqb s SER 189 Ca 0.00 -0.42 0.26 0.00 0.48 0.00 0.00 55.95 56.26 1sqb s SER 189 Cb 0.00 0.01 0.85 0.00 0.10 0.00 0.00 66.02 66.98 1sqb s SER 189 CO 0.00 -0.13 1.75 -0.78 0.98 0.00 0.00 173.24 175.07 1sqb h ASP 190 N 4.93 0.00 0.00 7.02 1.82 -2.03 -3.28 116.42 124.88 1sqb h ASP 190 Ca -0.34 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.30 1sqb h ASP 190 Cb 1.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.21 1sqb h ASP 190 CO 0.43 0.00 -1.43 -0.90 -1.61 0.00 0.00 179.24 175.73 1sqb n ASP 191 N -2.37 0.62 -3.74 2.28 5.68 -1.26 -4.83 116.55 112.92 1sqb n ASP 191 Ca 0.04 -0.50 -0.16 0.00 -0.50 0.00 0.00 54.79 53.67 1sqb n ASP 191 Cb 0.37 1.46 -0.16 0.00 -1.14 0.00 0.00 41.12 41.65 1sqb n ASP 191 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 1sqb s MET 192 N -3.16 -0.04 -0.03 0.11 -1.94 -1.24 -1.50 119.30 111.50 1sqb s MET 192 Ca 0.00 0.25 0.03 0.00 -1.71 0.00 0.00 55.69 54.26 1sqb s MET 192 Cb 0.14 -0.31 0.00 0.00 2.01 0.00 0.00 34.83 36.68 1sqb s MET 192 CO 0.84 -0.21 -0.09 0.54 -0.01 0.00 0.00 175.02 176.09 1sqb s VAL 193 N 1.35 0.80 -0.27 -6.03 0.11 -1.25 -4.27 120.40 110.83 1sqb s VAL 193 Ca -0.06 -0.37 -0.10 0.00 -2.93 0.00 0.00 61.98 58.52 1sqb s VAL 193 Cb -0.13 -0.71 -0.05 0.00 -1.53 0.00 0.00 36.38 33.97 1sqb s VAL 193 CO -0.03 0.25 0.17 -0.63 -3.33 0.00 0.00 175.10 171.53 1sqb s ILE 194 N 0.18 5.20 -1.04 7.04 1.09 -1.26 -3.69 121.20 128.72 1sqb s ILE 194 Ca -0.03 0.13 -0.23 0.00 -1.10 0.00 0.00 60.65 59.42 1sqb s ILE 194 Cb -0.08 -3.46 -0.03 0.00 -1.06 0.00 0.00 42.46 37.82 1sqb s ILE 194 CO 0.00 0.28 1.85 -0.69 -0.10 0.00 0.00 174.94 176.28 1sqb s VAL 195 N 1.63 3.61 -2.00 2.92 1.01 -1.18 -4.83 120.40 121.57 1sqb s VAL 195 Ca 0.07 -0.73 0.24 0.00 0.00 0.00 0.00 61.98 61.57 1sqb s VAL 195 Cb -0.16 -4.44 0.69 0.00 0.00 0.00 0.00 36.38 32.48 1sqb s VAL 195 CO 0.09 -1.21 1.82 0.61 0.00 0.00 0.00 175.10 176.41