#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xcb s VAL 3 N 0.00 2.72 0.93 -0.18 0.11 -1.26 -5.01 120.40 117.71 1xcb s VAL 3 Ca 0.00 0.57 -0.12 0.00 -2.93 0.00 0.00 61.98 59.50 1xcb s VAL 3 Cb 0.00 -3.37 0.15 0.00 -1.53 0.00 0.00 36.38 31.63 1xcb s VAL 3 CO 0.00 0.08 1.13 -2.16 -3.33 0.00 0.00 175.10 170.82 1xcb s PRO 4 N 0.12 1.00 0.29 1.54 0.04 -1.26 -4.96 135.00 131.76 1xcb s PRO 4 Ca 0.62 0.30 0.03 0.00 0.04 0.00 0.00 61.00 62.00 1xcb s PRO 4 Cb -0.42 -1.82 0.43 0.00 0.04 0.00 0.00 34.50 32.73 1xcb s PRO 4 CO 0.39 -2.29 1.72 0.93 0.04 0.00 0.00 177.00 177.79 1xcb h GLU 5 N -1.57 0.43 -0.65 4.56 5.08 -2.02 -2.99 114.58 117.42 1xcb h GLU 5 Ca -0.51 -0.17 0.09 0.00 -1.00 0.00 0.00 59.36 57.78 1xcb h GLU 5 Cb 1.33 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.49 1xcb h GLU 5 CO 0.61 0.68 0.28 0.00 -1.00 0.00 0.00 179.01 179.58 1xcb h ALA 6 N 1.33 0.88 0.08 3.43 0.00 -2.00 -2.45 119.26 120.52 1xcb h ALA 6 Ca 0.05 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1xcb h ALA 6 Cb 0.69 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1xcb h ALA 6 CO 0.05 -0.13 -0.36 0.00 0.00 0.00 0.00 179.25 178.81 1xcb h ALA 7 N 1.42 -0.60 -0.51 0.00 0.00 -1.90 -1.49 119.26 116.18 1xcb h ALA 7 Ca 0.33 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.28 1xcb h ALA 7 Cb 0.38 0.60 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 1xcb h ALA 7 CO -0.29 -0.90 -0.32 0.82 0.00 0.00 0.00 179.25 178.56 1xcb h ILE 8 N -0.57 0.21 -0.75 0.00 2.04 -1.50 0.36 117.51 117.29 1xcb h ILE 8 Ca 0.04 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.04 1xcb h ILE 8 Cb 0.61 0.21 -0.10 0.00 -0.74 0.00 0.00 36.82 36.80 1xcb h ILE 8 CO -0.23 0.00 0.28 0.28 0.00 0.00 0.00 178.15 178.48 1xcb h SER 9 N -0.19 0.23 -0.44 1.72 0.02 -1.13 0.12 113.55 113.89 1xcb h SER 9 Ca 0.21 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 1xcb h SER 9 Cb 0.54 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1xcb h SER 9 CO -0.62 0.07 0.21 0.03 -1.14 0.00 0.00 176.83 175.39 1xcb h ARG 10 N 0.41 0.62 -0.64 3.45 3.08 0.58 -0.65 114.38 121.22 1xcb h ARG 10 Ca 0.42 -0.09 0.07 0.00 0.07 0.00 0.00 59.98 60.45 1xcb h ARG 10 Cb 0.65 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 1xcb h ARG 10 CO -0.43 0.53 0.42 -0.07 -1.07 0.00 0.00 179.97 179.36 1xcb h LEU 11 N 0.56 0.53 -0.04 3.04 3.38 0.18 0.32 115.31 123.28 1xcb h LEU 11 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1xcb h LEU 11 Cb 0.11 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xcb h LEU 11 CO -0.02 0.34 0.00 0.40 0.09 0.00 0.00 178.44 179.25 1xcb h ILE 12 N 0.60 1.23 -0.19 1.22 2.04 -0.08 -2.55 117.51 119.79 1xcb h ILE 12 Ca 0.28 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.50 1xcb h ILE 12 Cb 0.33 1.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 1xcb h ILE 12 CO -0.09 0.19 -0.16 0.74 0.00 0.00 0.00 178.15 178.83 1xcb h THR 13 N -0.21 0.55 -0.34 -0.27 2.02 0.37 0.11 112.91 115.15 1xcb h THR 13 Ca 0.01 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.29 1xcb h THR 13 Cb 0.30 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1xcb h THR 13 CO 0.00 0.00 0.39 1.88 0.37 0.00 0.00 175.52 178.16 1xcb h TYR 14 N -0.17 0.00 0.05 3.16 0.05 -0.35 -0.47 116.97 119.24 1xcb h TYR 14 Ca 0.12 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.65 1xcb h TYR 14 Cb 0.35 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.09 1xcb h TYR 14 CO -0.30 0.00 -1.06 1.25 -1.05 0.00 0.00 178.16 177.00 1xcb h LEU 15 N 0.00 0.57 -1.03 3.88 6.46 -0.36 -1.21 115.31 123.62 1xcb h LEU 15 Ca 0.16 -0.50 -0.04 0.00 -0.12 0.00 0.00 57.88 57.38 1xcb h LEU 15 Cb 0.95 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.67 1xcb h LEU 15 CO -0.00 1.32 0.18 0.03 -0.62 0.00 0.00 178.44 179.35 1xcb h ARG 16 N 0.21 0.88 -0.26 1.25 3.08 -0.80 0.15 114.38 118.89 1xcb h ARG 16 Ca -0.11 -0.16 -0.13 0.00 0.07 0.00 0.00 59.98 59.65 1xcb h ARG 16 Cb 1.72 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.63 1xcb h ARG 16 CO 0.19 0.76 -0.33 0.82 -1.07 0.00 0.00 179.97 180.34 1xcb h ILE 17 N 0.86 1.31 0.28 2.04 2.04 -1.43 0.23 117.51 122.84 1xcb h ILE 17 Ca 0.19 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 1xcb h ILE 17 Cb 0.25 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1xcb h ILE 17 CO -0.01 0.48 -0.14 -0.07 0.00 0.00 0.00 178.15 178.42 1xcb h LEU 18 N 0.40 -0.32 -0.92 1.44 3.38 -0.91 0.22 115.31 118.60 1xcb h LEU 18 Ca 0.03 -0.09 0.19 0.00 0.09 0.00 0.00 57.88 58.10 1xcb h LEU 18 Cb 0.91 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 41.63 1xcb h LEU 18 CO 0.08 -0.11 0.50 -0.33 0.09 0.00 0.00 178.44 178.67 1xcb h GLU 19 N -0.52 0.59 -0.01 1.13 5.08 -0.70 0.14 114.58 120.30 1xcb h GLU 19 Ca -0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1xcb h GLU 19 Cb 0.39 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1xcb h GLU 19 CO 0.06 0.39 -0.05 0.39 -1.00 0.00 0.00 179.01 178.81 1xcb n GLU 20 N -4.88 1.16 -0.02 2.33 -0.58 0.06 -3.33 120.64 115.38 1xcb n GLU 20 Ca 0.21 -0.46 -0.21 0.00 -0.42 0.00 0.00 57.16 56.28 1xcb n GLU 20 Cb 0.56 -1.49 -0.13 0.00 -0.57 0.00 0.00 31.44 29.80 1xcb n GLU 20 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1xcb n LEU 21 N -0.52 2.67 -0.09 -4.62 4.77 0.73 -3.80 117.00 116.14 1xcb n LEU 21 Ca 0.19 0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 56.21 1xcb n LEU 21 Cb 0.26 -1.08 0.02 0.00 -2.33 0.00 0.00 43.42 40.30 1xcb n LEU 21 CO 0.19 0.85 0.58 1.05 -1.33 0.00 0.00 177.39 178.74 1xcb h GLU 22 N 0.01 0.83 -0.71 3.23 4.11 -1.61 -0.14 114.58 120.31 1xcb h GLU 22 Ca -0.45 -0.42 0.11 0.00 0.07 0.00 0.00 59.36 58.67 1xcb h GLU 22 Cb 1.98 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.19 1xcb h GLU 22 CO 0.04 1.05 0.47 0.00 0.07 0.00 0.00 179.01 180.65 1xcb h ALA 23 N 0.90 1.94 -0.16 1.06 0.00 -1.73 1.16 119.26 122.42 1xcb h ALA 23 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xcb h ALA 23 Cb 0.92 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1xcb h ALA 23 CO 0.09 -0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.28 1xcb n GLN 24 N -4.49 1.46 -0.98 0.00 6.02 -0.96 -4.88 117.38 113.56 1xcb n GLN 24 Ca 0.12 -0.62 0.00 0.00 -0.01 0.00 0.00 57.00 56.49 1xcb n GLN 24 Cb 0.39 -1.21 0.00 0.00 1.02 0.00 0.00 30.24 30.44 1xcb n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xcb n GLY 25 N 0.68 0.74 3.77 1.08 0.00 0.40 -5.02 105.19 106.83 1xcb n GLY 25 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1xcb n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xcb s VAL 26 N -3.02 3.39 0.00 1.61 1.01 -0.10 -4.95 120.40 118.33 1xcb s VAL 26 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1xcb s VAL 26 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1xcb s VAL 26 CO 0.00 0.09 0.00 1.57 0.00 0.00 0.00 175.10 176.76 1xcb n HIS 27 N 0.12 0.00 -4.83 5.22 -0.00 -1.26 -4.04 115.22 110.43 1xcb n HIS 27 Ca 0.04 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.89 1xcb n HIS 27 Cb 0.47 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 30.19 1xcb n HIS 27 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 1xcb s ARG 28 N -1.92 3.19 0.33 1.57 6.06 -1.26 -1.70 118.95 125.21 1xcb s ARG 28 Ca 0.00 -0.78 0.06 0.00 -2.50 0.00 0.00 55.73 52.50 1xcb s ARG 28 Cb 0.00 -2.50 -0.03 0.00 0.06 0.00 0.00 34.95 32.48 1xcb s ARG 28 CO 0.00 0.12 0.31 -0.08 -2.50 0.00 0.00 175.30 173.14 1xcb s THR 29 N 0.54 0.00 0.00 4.11 -1.32 -0.98 -4.96 115.64 113.03 1xcb s THR 29 Ca -0.11 -1.94 0.00 0.00 -1.21 0.00 0.00 61.69 58.43 1xcb s THR 29 Cb -0.16 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.30 1xcb s THR 29 CO 0.04 0.00 0.00 -1.54 -2.21 0.00 0.00 174.62 170.91 1xcb n SER 30 N -1.52 0.00 0.10 8.08 3.41 -1.26 -0.90 113.62 121.53 1xcb n SER 30 Ca 0.07 -0.49 -0.01 0.00 -0.26 0.00 0.00 58.87 58.18 1xcb n SER 30 Cb 0.62 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 1xcb n SER 30 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1xcb h SER 31 N 0.00 0.00 0.30 4.04 4.64 -1.96 -2.86 113.55 117.71 1xcb h SER 31 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1xcb h SER 31 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1xcb h SER 31 CO 0.00 0.67 -0.14 -0.33 -0.87 0.00 0.00 176.83 176.16 1xcb h GLU 32 N 0.00 -0.39 0.00 4.77 4.39 -1.95 -0.30 114.58 121.10 1xcb h GLU 32 Ca -0.02 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xcb h GLU 32 Cb 1.53 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.27 1xcb h GLU 32 CO 0.08 -0.26 0.00 0.94 -1.16 0.00 0.00 179.01 178.62 1xcb n GLN 33 N -3.09 0.00 -0.32 2.33 7.27 -1.25 -2.14 117.38 120.19 1xcb n GLN 33 Ca -0.05 0.60 0.14 0.00 0.07 0.00 0.00 57.00 57.77 1xcb n GLN 33 Cb 0.16 -1.37 0.28 0.00 2.41 0.00 0.00 30.24 31.72 1xcb n GLN 33 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1xcb n LEU 34 N -2.01 -0.09 -0.24 1.69 4.32 -1.08 0.11 117.00 119.69 1xcb n LEU 34 Ca 0.00 1.57 0.02 0.00 -0.02 0.00 0.00 56.01 57.58 1xcb n LEU 34 Cb 0.00 -0.58 0.15 0.00 -1.62 0.00 0.00 43.42 41.37 1xcb n LEU 34 CO 0.00 -1.59 1.04 1.23 -1.22 0.00 0.00 177.39 176.85 1xcb h GLY 35 N 0.00 1.05 0.27 -0.72 0.00 -0.61 0.33 103.07 103.39 1xcb h GLY 35 Ca 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 1xcb h GLY 35 CO -0.86 -0.00 -0.13 -2.09 0.00 0.00 0.00 176.54 173.46 1xcb h GLU 36 N 0.52 -0.35 -1.02 4.80 4.81 0.13 0.35 114.58 123.82 1xcb h GLU 36 Ca 0.36 0.02 0.38 0.00 -0.13 0.00 0.00 59.36 59.99 1xcb h GLU 36 Cb 0.44 0.08 -0.16 0.00 0.63 0.00 0.00 28.75 29.74 1xcb h GLU 36 CO -0.31 -0.23 0.57 -0.07 -0.73 0.00 0.00 179.01 178.24 1xcb h LEU 37 N -0.64 0.41 0.00 1.64 3.38 -1.17 0.82 115.31 119.75 1xcb h LEU 37 Ca -0.04 0.22 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 1xcb h LEU 37 Cb 0.28 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1xcb h LEU 37 CO 0.06 -0.28 -0.99 0.00 0.09 0.00 0.00 178.44 177.32 1xcb h ALA 38 N 1.90 0.65 -3.61 1.53 0.00 -0.97 -3.49 119.26 115.27 1xcb h ALA 38 Ca 0.79 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1xcb h ALA 38 Cb 2.00 0.11 0.06 0.00 0.00 0.00 0.00 17.79 19.96 1xcb h ALA 38 CO -0.67 0.66 -0.25 1.04 0.00 0.00 0.00 179.25 180.03 1xcb n GLN 39 N -2.99 -0.86 -4.09 0.00 6.02 0.28 -5.06 117.38 110.68 1xcb n GLN 39 Ca -0.04 0.25 -0.13 0.00 -0.01 0.00 0.00 57.00 57.07 1xcb n GLN 39 Cb 0.75 -2.88 -0.05 0.00 1.02 0.00 0.00 30.24 29.08 1xcb n GLN 39 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1xcb s VAL 40 N -3.11 0.00 0.51 5.09 -7.23 0.78 -5.02 120.40 111.41 1xcb s VAL 40 Ca 0.11 -1.62 -0.14 0.00 -1.81 0.00 0.00 61.98 58.52 1xcb s VAL 40 Cb -0.01 -2.51 -0.07 0.00 0.56 0.00 0.00 36.38 34.35 1xcb s VAL 40 CO 0.22 0.00 0.95 -0.89 -0.31 0.00 0.00 175.10 175.07 1xcb s THR 41 N -3.45 4.61 0.32 5.32 2.01 -1.26 -4.14 115.64 119.04 1xcb s THR 41 Ca 0.30 1.04 0.00 0.00 0.31 0.00 0.00 61.69 63.34 1xcb s THR 41 Cb 0.01 -3.75 0.27 0.00 0.01 0.00 0.00 72.50 69.04 1xcb s THR 41 CO 0.17 -0.74 1.96 0.00 -0.69 0.00 0.00 174.62 175.32 1xcb h ALA 42 N 0.76 1.50 -0.41 7.40 0.00 -1.89 0.13 119.26 126.74 1xcb h ALA 42 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1xcb h ALA 42 Cb 1.19 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1xcb h ALA 42 CO 0.62 0.44 0.26 0.35 0.00 0.00 0.00 179.25 180.91 1xcb h PHE 43 N 1.01 0.53 -0.85 0.00 3.57 -1.92 -2.21 116.94 117.07 1xcb h PHE 43 Ca 0.31 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.96 1xcb h PHE 43 Cb -0.00 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.50 1xcb h PHE 43 CO -0.00 0.36 0.55 0.37 -2.23 0.00 0.00 178.31 177.36 1xcb h GLN 44 N 0.55 0.58 -0.17 1.11 5.75 -1.16 0.51 115.11 122.28 1xcb h GLN 44 Ca 0.15 -0.03 -0.21 0.00 -0.15 0.00 0.00 58.65 58.41 1xcb h GLN 44 Cb -0.03 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.40 1xcb h GLN 44 CO -0.03 0.38 -0.72 0.28 -2.65 0.00 0.00 178.83 176.10 1xcb h VAL 45 N 0.60 1.30 -0.26 2.39 2.07 -0.67 -2.67 116.25 119.00 1xcb h VAL 45 Ca 0.42 -1.95 -0.11 0.00 0.82 0.00 0.00 66.70 65.89 1xcb h VAL 45 Cb 0.77 1.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1xcb h VAL 45 CO -0.18 0.61 -0.25 0.03 0.02 0.00 0.00 177.57 177.81 1xcb h ARG 46 N 0.51 0.63 -0.46 1.57 3.08 -0.82 -2.92 114.38 115.97 1xcb h ARG 46 Ca -0.03 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.66 1xcb h ARG 46 Cb 1.33 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.37 1xcb h ARG 46 CO 0.14 0.93 0.20 -0.22 -1.07 0.00 0.00 179.97 179.96 1xcb h LYS 47 N 0.35 0.67 0.04 0.04 3.64 -0.98 0.08 116.57 120.41 1xcb h LYS 47 Ca 0.04 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1xcb h LYS 47 Cb 0.81 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1xcb h LYS 47 CO 0.06 0.59 -0.08 -0.44 -2.27 0.00 0.00 179.45 177.31 1xcb h ASP 48 N 0.60 -0.22 0.05 4.20 3.32 -1.52 -0.54 116.42 122.30 1xcb h ASP 48 Ca 0.16 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1xcb h ASP 48 Cb 0.15 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1xcb h ASP 48 CO -0.02 -0.12 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.31 1xcb h LEU 49 N -0.16 0.00 -0.22 1.55 3.38 -1.30 -2.96 115.31 115.60 1xcb h LEU 49 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xcb h LEU 49 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1xcb h LEU 49 CO -0.06 0.01 0.13 0.28 0.09 0.00 0.00 178.44 178.89 1xcb h SER 50 N 0.00 0.27 0.00 -0.43 0.02 0.72 -2.69 113.55 111.44 1xcb h SER 50 Ca -0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1xcb h SER 50 Cb 0.03 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1xcb h SER 50 CO 0.00 0.25 0.20 -1.22 -1.14 0.00 0.00 176.83 174.92 1xcb n TYR 51 N -4.89 0.00 -3.87 3.45 4.02 -1.12 -4.12 117.16 110.63 1xcb n TYR 51 Ca -0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.71 1xcb n TYR 51 Cb 0.06 -0.19 -0.15 0.00 -0.02 0.00 0.00 39.34 39.03 1xcb n TYR 51 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1xcb s PHE 52 N -2.27 0.14 0.00 -0.72 0.40 -1.01 -4.99 117.98 109.53 1xcb s PHE 52 Ca 0.00 0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.37 1xcb s PHE 52 Cb 0.00 -0.24 0.00 0.00 0.51 0.00 0.00 43.02 43.29 1xcb s PHE 52 CO 0.00 -0.08 0.00 0.41 0.70 0.00 0.00 175.22 176.25 1xcb n GLY 53 N 3.83 0.45 3.05 4.36 0.00 -1.26 -4.83 105.19 110.79 1xcb n GLY 53 Ca -0.23 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 1xcb n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xcb s SER 54 N -2.49 0.18 0.00 1.61 1.04 -1.26 -4.66 113.70 108.12 1xcb s SER 54 Ca 0.00 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1xcb s SER 54 Cb 0.00 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1xcb s SER 54 CO 0.00 -0.37 0.00 -1.22 0.98 0.00 0.00 173.24 172.63 1xcb n TYR 55 N 1.33 0.00 -0.09 5.02 4.02 -1.26 -4.86 117.16 121.32 1xcb n TYR 55 Ca -0.22 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.70 1xcb n TYR 55 Cb 0.56 0.01 0.08 0.00 -0.02 0.00 0.00 39.34 39.98 1xcb n TYR 55 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xcb n GLY 56 N 0.00 2.74 0.26 2.72 0.00 -1.26 -4.78 105.19 104.87 1xcb n GLY 56 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 1xcb n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xcb n THR 57 N 0.08 -0.42 1.48 2.61 -2.24 -1.26 0.16 114.28 114.69 1xcb n THR 57 Ca 0.06 2.00 0.14 0.00 -2.27 0.00 0.00 64.05 63.98 1xcb n THR 57 Cb 0.34 -2.53 0.74 0.00 -2.10 0.00 0.00 70.33 66.79 1xcb n THR 57 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1xcb n ARG 58 N -4.39 0.60 -4.00 -0.78 1.85 -1.26 -4.90 116.66 103.77 1xcb n ARG 58 Ca 0.01 0.02 -0.33 0.00 -1.00 0.00 0.00 57.85 56.55 1xcb n ARG 58 Cb 0.16 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.04 1xcb n ARG 58 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1xcb n GLY 59 N 0.89 -0.45 1.83 2.89 0.00 0.43 -4.83 105.19 105.94 1xcb n GLY 59 Ca 0.16 0.10 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 1xcb n GLY 59 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xcb n VAL 60 N -4.10 2.89 -4.43 1.61 0.31 -1.26 -5.07 118.33 108.28 1xcb n VAL 60 Ca 0.06 -3.23 0.00 0.00 -0.01 0.00 0.00 64.34 61.17 1xcb n VAL 60 Cb 0.49 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 1xcb n VAL 60 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xcb n GLY 61 N -0.94 -0.06 3.21 2.92 0.00 -1.26 -4.91 105.19 104.15 1xcb n GLY 61 Ca 0.47 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 1xcb n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xcb s TYR 62 N 0.00 1.14 -0.43 1.61 1.51 -0.08 -4.86 117.35 116.25 1xcb s TYR 62 Ca 0.00 -0.72 -0.15 0.00 -1.01 0.00 0.00 57.07 55.19 1xcb s TYR 62 Cb 0.00 -0.61 0.04 0.00 -0.11 0.00 0.00 41.96 41.28 1xcb s TYR 62 CO 0.00 0.02 0.33 0.99 -1.11 0.00 0.00 175.55 175.79 1xcb s THR 63 N -2.91 5.22 0.13 -0.71 2.01 -1.26 -2.33 115.64 115.78 1xcb s THR 63 Ca 0.11 -0.82 -0.10 0.00 0.31 0.00 0.00 61.69 61.19 1xcb s THR 63 Cb 0.00 -3.98 0.13 0.00 0.01 0.00 0.00 72.50 68.65 1xcb s THR 63 CO -0.00 -0.41 0.86 0.52 -0.69 0.00 0.00 174.62 174.90 1xcb n VAL 64 N 5.17 -0.29 -0.03 3.82 0.31 -0.69 -0.93 118.33 125.68 1xcb n VAL 64 Ca -0.12 1.30 -0.10 0.00 -0.01 0.00 0.00 64.34 65.41 1xcb n VAL 64 Cb 0.46 -1.71 -0.04 0.00 -0.91 0.00 0.00 33.84 31.64 1xcb n VAL 64 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1xcb h PRO 65 N 0.00 -0.36 -0.34 5.55 0.11 -1.93 -0.44 132.00 134.60 1xcb h PRO 65 Ca 0.19 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 1xcb h PRO 65 Cb 0.33 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1xcb h PRO 65 CO -0.55 -0.24 0.11 0.28 -0.21 0.00 0.00 178.00 177.39 1xcb h VAL 66 N -0.37 1.20 0.00 3.15 2.07 -1.44 -2.92 116.25 117.94 1xcb h VAL 66 Ca 0.11 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1xcb h VAL 66 Cb 0.56 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1xcb h VAL 66 CO -0.42 0.22 -0.04 0.25 0.02 0.00 0.00 177.57 177.61 1xcb h LEU 67 N 0.39 0.00 0.39 2.57 5.85 -1.35 0.14 115.31 123.30 1xcb h LEU 67 Ca 0.11 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1xcb h LEU 67 Cb 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1xcb h LEU 67 CO -0.00 0.04 -0.19 0.50 -0.34 0.00 0.00 178.44 178.45 1xcb h LYS 68 N 0.00 -0.50 0.00 1.25 3.64 -0.89 -1.93 116.57 118.13 1xcb h LYS 68 Ca -0.00 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1xcb h LYS 68 Cb 0.67 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1xcb h LYS 68 CO 0.01 -0.20 -0.05 0.07 -2.27 0.00 0.00 179.45 177.01 1xcb h ARG 69 N -0.84 0.00 -0.20 1.90 0.11 -1.47 -0.51 114.38 113.37 1xcb h ARG 69 Ca -0.05 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.90 1xcb h ARG 69 Cb 0.54 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.61 1xcb h ARG 69 CO 0.09 0.05 -0.40 0.93 0.10 0.00 0.00 179.97 180.74 1xcb h GLU 70 N 0.00 0.46 0.11 0.08 4.39 -0.87 -1.10 114.58 117.65 1xcb h GLU 70 Ca -0.00 -0.23 -0.21 0.00 0.34 0.00 0.00 59.36 59.26 1xcb h GLU 70 Cb 0.66 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.34 1xcb h GLU 70 CO 0.01 0.79 -0.89 -0.07 -1.16 0.00 0.00 179.01 177.68 1xcb h LEU 71 N 0.38 0.60 -1.80 1.33 3.38 -0.93 -3.02 115.31 115.26 1xcb h LEU 71 Ca 0.03 -0.87 0.07 0.00 0.09 0.00 0.00 57.88 57.20 1xcb h LEU 71 Cb 0.87 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1xcb h LEU 71 CO 0.07 1.42 0.27 0.03 0.09 0.00 0.00 178.44 180.32 1xcb h ARG 72 N -0.12 0.24 -0.08 1.13 3.08 -0.97 0.82 114.38 118.48 1xcb h ARG 72 Ca -0.14 -0.01 -0.24 0.00 0.07 0.00 0.00 59.98 59.66 1xcb h ARG 72 Cb 1.65 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 31.66 1xcb h ARG 72 CO 0.17 0.16 -0.87 0.45 -1.07 0.00 0.00 179.97 178.80 1xcb h HIS 73 N 0.24 1.03 -0.54 3.04 3.86 -1.26 0.50 115.15 122.01 1xcb h HIS 73 Ca 0.18 -0.50 -0.04 0.00 -1.16 0.00 0.00 60.37 58.85 1xcb h HIS 73 Cb 0.40 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 1xcb h HIS 73 CO -0.00 1.34 0.19 0.82 0.86 0.00 0.00 177.93 181.14 1xcb h ILE 74 N 0.42 1.23 0.00 2.45 2.04 -1.11 -2.92 117.51 119.62 1xcb h ILE 74 Ca -0.09 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1xcb h ILE 74 Cb 1.52 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1xcb h ILE 74 CO 0.18 0.28 0.00 -0.07 0.00 0.00 0.00 178.15 178.54 1xcb h LEU 75 N 0.75 0.00 0.00 1.44 -0.00 -0.91 -3.47 115.31 113.12 1xcb h LEU 75 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 1xcb h LEU 75 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 1xcb h LEU 75 CO -0.01 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.04 1xcb n GLY 76 N 1.02 0.80 0.56 0.83 0.00 -0.67 -4.96 105.19 102.78 1xcb n GLY 76 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1xcb n GLY 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xcb n LEU 77 N 0.00 1.00 -0.02 0.99 4.32 0.17 -3.69 117.00 119.76 1xcb n LEU 77 Ca 0.00 -0.50 -0.01 0.00 -0.02 0.00 0.00 56.01 55.48 1xcb n LEU 77 Cb 0.00 -0.40 -0.00 0.00 -1.62 0.00 0.00 43.42 41.39 1xcb n LEU 77 CO 0.00 0.23 -0.08 0.78 -1.22 0.00 0.00 177.39 177.10 1xcb h ASN 78 N 0.22 0.00 -3.14 -1.43 4.21 -1.91 -3.45 115.58 110.08 1xcb h ASN 78 Ca 0.00 0.00 -0.58 0.00 1.21 0.00 0.00 56.30 56.93 1xcb h ASN 78 Cb 0.45 0.00 0.17 0.00 -1.12 0.00 0.00 38.32 37.82 1xcb h ASN 78 CO 0.00 0.19 -0.26 -2.11 -1.29 0.00 0.00 177.43 173.97 1xcb n ARG 79 N -2.88 0.59 -3.28 0.81 1.85 -1.24 -4.91 116.66 107.60 1xcb n ARG 79 Ca -0.02 0.23 -0.44 0.00 -1.00 0.00 0.00 57.85 56.63 1xcb n ARG 79 Cb 0.06 -1.83 -0.07 0.00 -1.05 0.00 0.00 32.46 29.57 1xcb n ARG 79 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1xcb s LYS 80 N -2.30 3.04 0.38 2.89 2.20 -1.26 -4.73 119.74 119.96 1xcb s LYS 80 Ca 0.71 -1.15 -0.25 0.00 -0.36 0.00 0.00 55.97 54.92 1xcb s LYS 80 Cb -0.43 -4.12 -0.09 0.00 -1.51 0.00 0.00 37.83 31.67 1xcb s LYS 80 CO 0.52 -1.13 1.02 -1.58 -0.36 0.00 0.00 175.35 173.82 1xcb s TRP 81 N 2.10 3.39 -0.26 4.03 0.52 0.44 -4.89 118.94 124.27 1xcb s TRP 81 Ca 0.09 1.68 -0.15 0.00 0.02 0.00 0.00 56.10 57.74 1xcb s TRP 81 Cb -0.22 -3.07 -0.04 0.00 -1.15 0.00 0.00 33.47 29.00 1xcb s TRP 81 CO 0.09 -0.38 0.38 0.20 0.02 0.00 0.00 176.95 177.26 1xcb s GLY 82 N -1.59 1.91 0.23 0.98 0.00 -1.26 -0.81 107.32 106.79 1xcb s GLY 82 Ca 0.56 -0.76 0.07 0.00 0.00 0.00 0.00 44.72 44.58 1xcb s GLY 82 CO 0.26 0.96 0.18 1.08 0.00 0.00 0.00 173.10 175.58 1xcb s LEU 83 N 1.95 3.81 0.04 0.66 1.02 0.27 -0.28 118.68 126.14 1xcb s LEU 83 Ca 0.16 -0.22 -0.14 0.00 0.02 0.00 0.00 54.13 53.95 1xcb s LEU 83 Cb -0.16 -2.36 0.02 0.00 0.02 0.00 0.00 46.19 43.72 1xcb s LEU 83 CO 0.09 -0.01 0.30 0.00 0.02 0.00 0.00 176.35 176.76 1xcb s ILE 85 N -2.47 2.38 -0.25 0.00 1.01 -0.06 -0.78 121.20 121.03 1xcb s ILE 85 Ca -0.06 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1xcb s ILE 85 Cb -0.01 -1.87 0.07 0.00 0.01 0.00 0.00 42.46 40.66 1xcb s ILE 85 CO -0.03 0.58 -0.00 -0.69 0.00 0.00 0.00 174.94 174.80 1xcb s VAL 86 N -0.50 1.31 0.00 2.92 1.01 -0.79 -1.60 120.40 122.75 1xcb s VAL 86 Ca 0.06 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1xcb s VAL 86 Cb -0.11 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1xcb s VAL 86 CO 0.01 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.44 1xcb n GLY 87 N 4.73 2.97 0.00 4.51 0.00 -0.74 -1.21 105.19 115.45 1xcb n GLY 87 Ca -0.08 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1xcb n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xcb n GLY 89 N -0.50 0.30 0.10 -0.02 0.00 -1.26 -3.82 105.19 99.99 1xcb n GLY 89 Ca 0.00 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.40 1xcb n GLY 89 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xcb h ARG 90 N 0.00 -0.11 -0.72 1.61 3.08 -1.98 -0.09 114.38 116.17 1xcb h ARG 90 Ca 0.00 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1xcb h ARG 90 Cb 0.00 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1xcb h ARG 90 CO 0.00 0.42 0.42 1.25 -1.07 0.00 0.00 179.97 180.99 1xcb h LEU 91 N -0.78 0.88 0.09 3.04 5.85 -1.90 0.20 115.31 122.68 1xcb h LEU 91 Ca -0.01 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1xcb h LEU 91 Cb 0.58 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1xcb h LEU 91 CO 0.02 0.70 -0.05 1.23 -0.34 0.00 0.00 178.44 180.00 1xcb h GLY 92 N 0.99 -0.13 1.71 3.75 0.00 -1.66 -0.19 103.07 107.53 1xcb h GLY 92 Ca 0.26 0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.66 1xcb h GLY 92 CO -0.05 -0.05 0.14 1.76 0.00 0.00 0.00 176.54 178.35 1xcb h SER 93 N -0.43 0.15 0.46 0.19 0.02 -0.83 0.12 113.55 113.24 1xcb h SER 93 Ca -0.01 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1xcb h SER 93 Cb 0.36 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1xcb h SER 93 CO 0.02 0.11 -0.22 0.00 -1.14 0.00 0.00 176.83 175.60 1xcb h ALA 94 N 1.88 -0.62 -0.55 3.77 0.00 -0.74 -3.24 119.26 119.77 1xcb h ALA 94 Ca 0.09 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.93 1xcb h ALA 94 Cb 0.14 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 18.05 1xcb h ALA 94 CO -0.02 -0.61 -0.28 -0.07 0.00 0.00 0.00 179.25 178.27 1xcb h LEU 95 N -1.08 -0.98 -1.72 0.00 3.38 -0.23 0.14 115.31 114.81 1xcb h LEU 95 Ca -0.06 0.21 0.40 0.00 0.09 0.00 0.00 57.88 58.52 1xcb h LEU 95 Cb 0.55 0.51 -0.09 0.00 0.09 0.00 0.00 40.66 41.72 1xcb h LEU 95 CO 0.10 -0.28 0.94 0.00 0.09 0.00 0.00 178.44 179.29 1xcb h ALA 96 N 1.11 3.01 -0.01 1.53 0.00 -0.85 0.64 119.26 124.70 1xcb h ALA 96 Ca 0.24 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1xcb h ALA 96 Cb 0.53 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1xcb h ALA 96 CO -0.63 -1.49 -0.31 -0.25 0.00 0.00 0.00 179.25 176.56 1xcb n ASP 97 N -4.35 1.44 -4.64 0.00 8.00 0.45 -4.87 116.55 112.58 1xcb n ASP 97 Ca 0.33 -1.16 -0.44 0.00 0.71 0.00 0.00 54.79 54.23 1xcb n ASP 97 Cb 1.39 0.24 -0.01 0.00 -0.02 0.00 0.00 41.12 42.73 1xcb n ASP 97 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xcb n TYR 98 N -0.35 1.68 -0.00 1.24 9.36 0.22 -4.91 117.16 124.41 1xcb n TYR 98 Ca 0.12 0.64 -0.02 0.00 3.32 0.00 0.00 57.90 61.96 1xcb n TYR 98 Cb 0.40 -2.32 -0.11 0.00 -0.63 0.00 0.00 39.34 36.68 1xcb n TYR 98 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1xcb n PRO 99 N 0.62 0.64 -0.92 2.98 -0.04 -1.26 -4.57 135.00 132.44 1xcb n PRO 99 Ca 0.08 0.14 -0.18 0.00 -0.04 0.00 0.00 63.50 63.50 1xcb n PRO 99 Cb 0.34 -1.72 0.04 0.00 -0.04 0.00 0.00 33.50 32.11 1xcb n PRO 99 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xcb n GLY 100 N 1.46 4.17 0.20 0.55 0.00 -1.26 -4.47 105.19 105.84 1xcb n GLY 100 Ca -0.14 -1.16 0.05 0.00 0.00 0.00 0.00 46.02 44.77 1xcb n GLY 100 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xcb h PHE 101 N 1.53 0.00 0.00 1.61 -1.00 -1.90 -3.49 116.94 113.69 1xcb h PHE 101 Ca 0.30 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.08 1xcb h PHE 101 Cb 0.90 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.46 1xcb h PHE 101 CO 0.84 0.33 0.00 0.41 -1.61 0.00 0.00 178.31 178.29 1xcb n GLY 102 N -0.39 -1.91 0.35 -1.45 0.00 -1.26 -4.24 105.19 96.29 1xcb n GLY 102 Ca -0.02 -1.80 0.11 0.00 0.00 0.00 0.00 46.02 44.31 1xcb n GLY 102 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xcb n GLU 103 N -0.01 0.86 0.07 1.61 4.07 -1.26 -4.28 120.64 121.69 1xcb n GLU 103 Ca 0.00 -0.70 0.09 0.00 -0.06 0.00 0.00 57.16 56.50 1xcb n GLU 103 Cb 0.00 -1.49 -0.05 0.00 -0.06 0.00 0.00 31.44 29.84 1xcb n GLU 103 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1xcb n SER 104 N -0.46 0.66 -4.12 4.31 7.64 -1.26 -4.75 113.62 115.63 1xcb n SER 104 Ca 0.08 0.26 -0.30 0.00 1.01 0.00 0.00 58.87 59.92 1xcb n SER 104 Cb 0.42 0.75 -0.17 0.00 -1.01 0.00 0.00 64.21 64.21 1xcb n SER 104 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1xcb s PHE 105 N -3.32 2.31 -0.09 1.43 0.40 -1.26 0.17 117.98 117.61 1xcb s PHE 105 Ca -0.03 -1.10 0.03 0.00 -0.60 0.00 0.00 56.93 55.23 1xcb s PHE 105 Cb 0.10 -1.60 0.01 0.00 0.51 0.00 0.00 43.02 42.04 1xcb s PHE 105 CO 0.82 -0.52 -0.19 -2.00 0.70 0.00 0.00 175.22 174.03 1xcb s GLU 106 N 0.83 2.54 0.21 0.44 2.12 0.01 -4.56 118.70 120.29 1xcb s GLU 106 Ca -0.08 -0.70 -0.30 0.00 0.36 0.00 0.00 54.97 54.25 1xcb s GLU 106 Cb -0.16 -1.99 -0.08 0.00 0.26 0.00 0.00 34.13 32.17 1xcb s GLU 106 CO -0.00 0.09 1.00 -0.51 -0.54 0.00 0.00 175.26 175.29 1xcb s LEU 107 N 0.56 4.58 -0.10 2.70 1.43 -1.26 0.96 118.68 127.54 1xcb s LEU 107 Ca -0.15 1.99 0.06 0.00 -1.03 0.00 0.00 54.13 55.00 1xcb s LEU 107 Cb -0.17 -3.61 0.16 0.00 0.03 0.00 0.00 46.19 42.61 1xcb s LEU 107 CO 0.05 0.00 1.17 -2.11 0.23 0.00 0.00 176.35 175.69 1xcb n ARG 108 N 1.87 0.43 -3.51 1.70 1.85 -0.12 -4.87 116.66 114.01 1xcb n ARG 108 Ca -0.00 -1.23 0.02 0.00 -1.00 0.00 0.00 57.85 55.64 1xcb n ARG 108 Cb 0.47 0.37 -0.05 0.00 -1.05 0.00 0.00 32.46 32.19 1xcb n ARG 108 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1xcb s GLY 109 N -1.22 0.34 -0.26 2.89 0.00 -1.24 -4.98 107.32 102.85 1xcb s GLY 109 Ca 0.06 3.58 -0.02 0.00 0.00 0.00 0.00 44.72 48.34 1xcb s GLY 109 CO -0.05 2.94 0.08 -1.36 0.00 0.00 0.00 173.10 174.70 1xcb s PHE 110 N 1.49 1.27 0.10 1.90 0.40 -1.26 -0.88 117.98 121.01 1xcb s PHE 110 Ca -0.06 -1.29 0.07 0.00 -0.60 0.00 0.00 56.93 55.05 1xcb s PHE 110 Cb -0.03 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 1xcb s PHE 110 CO -0.13 -0.77 -0.08 -0.06 0.70 0.00 0.00 175.22 174.87 1xcb s PHE 111 N 1.77 2.78 0.36 0.36 0.40 -0.63 -0.19 117.98 122.83 1xcb s PHE 111 Ca 0.05 -0.14 -0.07 0.00 -0.60 0.00 0.00 56.93 56.18 1xcb s PHE 111 Cb -0.17 -1.45 0.02 0.00 0.51 0.00 0.00 43.02 41.93 1xcb s PHE 111 CO -0.20 0.44 0.58 0.34 0.70 0.00 0.00 175.22 177.07 1xcb s ASP 112 N -2.23 0.60 -0.01 1.36 -1.08 -0.52 -1.80 116.67 113.00 1xcb s ASP 112 Ca 0.22 -1.36 0.02 0.00 -0.52 0.00 0.00 52.55 50.91 1xcb s ASP 112 Cb -0.11 0.73 -0.03 0.00 -1.46 0.00 0.00 42.92 42.04 1xcb s ASP 112 CO 0.14 -1.43 0.03 0.52 0.52 0.00 0.00 175.17 174.96 1xcb n VAL 113 N -0.55 0.05 -1.76 1.11 0.31 -1.26 -3.13 118.33 113.10 1xcb n VAL 113 Ca -0.02 -0.06 -0.43 0.00 -0.01 0.00 0.00 64.34 63.82 1xcb n VAL 113 Cb 0.61 -0.05 -0.03 0.00 -0.91 0.00 0.00 33.84 33.46 1xcb n VAL 113 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xcb s ASP 114 N -2.61 6.12 0.40 4.52 -1.08 -1.26 -4.84 116.67 117.92 1xcb s ASP 114 Ca -0.01 2.17 0.14 0.00 -0.52 0.00 0.00 52.55 54.33 1xcb s ASP 114 Cb 0.01 -2.52 0.98 0.00 -1.46 0.00 0.00 42.92 39.92 1xcb s ASP 114 CO 0.09 -1.39 1.88 -0.65 0.52 0.00 0.00 175.17 175.62 1xcb h PRO 115 N 12.03 0.50 0.00 4.34 0.11 -1.95 0.17 132.00 147.20 1xcb h PRO 115 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xcb h PRO 115 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1xcb h PRO 115 CO 0.96 0.33 0.00 0.39 -0.21 0.00 0.00 178.00 179.47 1xcb n GLU 116 N -4.52 0.26 -0.13 1.05 -0.58 -1.26 -3.73 120.64 111.73 1xcb n GLU 116 Ca 0.17 0.05 -0.28 0.00 -0.42 0.00 0.00 57.16 56.69 1xcb n GLU 116 Cb 0.56 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.82 1xcb n GLU 116 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1xcb n LYS 117 N -1.35 0.58 -1.40 3.49 5.02 0.56 -4.88 118.16 120.18 1xcb n LYS 117 Ca 0.10 0.34 -0.38 0.00 -2.02 0.00 0.00 58.31 56.35 1xcb n LYS 117 Cb 0.23 -1.55 0.03 0.00 -0.02 0.00 0.00 35.03 33.71 1xcb n LYS 117 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xcb n VAL 118 N -4.30 1.60 0.00 -0.18 0.31 -1.00 -1.39 118.33 113.37 1xcb n VAL 118 Ca -0.49 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.34 1xcb n VAL 118 Cb 0.83 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 1xcb n VAL 118 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xcb n GLY 119 N 1.99 3.08 3.59 2.92 0.00 -0.47 -4.96 105.19 111.35 1xcb n GLY 119 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1xcb n GLY 119 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xcb s ARG 120 N -0.26 3.02 0.22 1.61 3.52 -0.48 -4.70 118.95 121.87 1xcb s ARG 120 Ca 0.00 1.64 -0.31 0.00 -0.13 0.00 0.00 55.73 56.92 1xcb s ARG 120 Cb 0.00 -4.34 -0.11 0.00 -1.56 0.00 0.00 34.95 28.94 1xcb s ARG 120 CO 0.00 -2.23 1.62 -1.25 -0.81 0.00 0.00 175.30 172.63 1xcb s PRO 121 N 6.43 4.16 0.00 5.12 0.04 -1.26 -2.81 135.00 146.68 1xcb s PRO 121 Ca 0.91 2.50 0.00 0.00 0.04 0.00 0.00 61.00 64.45 1xcb s PRO 121 Cb -0.26 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1xcb s PRO 121 CO 0.32 -0.65 0.00 1.33 0.04 0.00 0.00 177.00 178.05 1xcb n VAL 122 N 3.31 0.00 0.00 -0.36 0.24 0.52 -4.96 118.33 117.09 1xcb n VAL 122 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 1xcb n VAL 122 Cb 0.37 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1xcb n VAL 122 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1xcb n ARG 123 N -0.31 0.00 0.00 7.34 0.63 -1.26 -4.06 116.66 119.00 1xcb n ARG 123 Ca 0.00 0.69 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 1xcb n ARG 123 Cb 0.00 -1.37 0.00 0.00 0.45 0.00 0.00 32.46 31.54 1xcb n ARG 123 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xcb n GLY 124 N -0.95 -1.86 0.00 5.14 0.00 -1.26 -5.00 105.19 101.25 1xcb n GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xcb n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xcb n GLY 125 N 0.05 1.92 3.17 -0.02 0.00 -1.26 -5.17 105.19 103.88 1xcb n GLY 125 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 1xcb n GLY 125 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xcb s VAL 126 N 2.40 0.11 -0.02 1.61 -7.23 -1.26 -0.35 120.40 115.66 1xcb s VAL 126 Ca 0.00 -1.82 -0.30 0.00 -1.81 0.00 0.00 61.98 58.05 1xcb s VAL 126 Cb 0.00 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 1xcb s VAL 126 CO 0.00 -0.49 1.05 -0.63 -0.31 0.00 0.00 175.10 174.72 1xcb s ILE 127 N -4.02 4.62 0.33 -0.62 1.01 -1.12 -4.23 121.20 117.17 1xcb s ILE 127 Ca 0.21 1.88 0.09 0.00 0.00 0.00 0.00 60.65 62.83 1xcb s ILE 127 Cb 0.07 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 1xcb s ILE 127 CO 0.00 0.10 0.08 -1.61 0.00 0.00 0.00 174.94 173.51 1xcb s GLU 128 N 1.38 2.24 0.87 2.79 2.02 0.74 -1.36 118.70 127.37 1xcb s GLU 128 Ca 0.53 -1.62 -0.12 0.00 0.02 0.00 0.00 54.97 53.78 1xcb s GLU 128 Cb -0.22 -2.07 0.11 0.00 0.10 0.00 0.00 34.13 32.05 1xcb s GLU 128 CO 0.25 0.14 1.13 -1.58 0.02 0.00 0.00 175.26 175.22 1xcb s HIS 129 N -2.46 2.65 -1.06 1.61 5.65 -1.26 -1.44 115.29 118.98 1xcb s HIS 129 Ca 0.36 0.95 0.25 0.00 0.25 0.00 0.00 55.06 56.87 1xcb s HIS 129 Cb -0.02 -3.30 1.11 0.00 -1.18 0.00 0.00 32.58 29.19 1xcb s HIS 129 CO 0.21 -2.13 1.82 1.33 -0.65 0.00 0.00 174.74 175.32 1xcb n VAL 130 N -3.62 0.25 0.29 0.89 0.24 -1.18 -3.98 118.33 111.21 1xcb n VAL 130 Ca 0.07 0.06 0.16 0.00 -2.04 0.00 0.00 64.34 62.59 1xcb n VAL 130 Cb 0.58 -0.63 0.90 0.00 -1.47 0.00 0.00 33.84 33.23 1xcb n VAL 130 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1xcb h ASP 131 N 0.00 0.00 -0.17 -1.34 3.45 -1.91 -2.44 116.42 114.01 1xcb h ASP 131 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1xcb h ASP 131 Cb 0.41 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.18 1xcb h ASP 131 CO 0.00 0.04 0.00 0.18 -1.57 0.00 0.00 179.24 177.89 1xcb n LEU 132 N -3.63 1.69 -0.31 1.55 4.32 -1.26 -4.51 117.00 114.85 1xcb n LEU 132 Ca -0.02 -0.70 0.12 0.00 -0.02 0.00 0.00 56.01 55.38 1xcb n LEU 132 Cb 0.14 -0.11 0.30 0.00 -1.62 0.00 0.00 43.42 42.13 1xcb n LEU 132 CO 0.27 0.35 1.09 -0.07 -1.22 0.00 0.00 177.39 177.81 1xcb h LEU 133 N 2.24 0.47 -1.52 2.23 4.07 -1.72 -0.43 115.31 120.66 1xcb h LEU 133 Ca 0.00 0.13 -0.05 0.00 0.08 0.00 0.00 57.88 58.04 1xcb h LEU 133 Cb 0.49 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 1xcb h LEU 133 CO 0.00 0.10 -0.24 -0.65 -1.08 0.00 0.00 178.44 176.57 1xcb h PRO 134 N 0.52 0.01 0.00 1.13 0.11 -1.83 0.19 132.00 132.13 1xcb h PRO 134 Ca 0.55 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 1xcb h PRO 134 Cb 0.97 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1xcb h PRO 134 CO -0.46 0.24 -0.94 1.04 -0.21 0.00 0.00 178.00 177.67 1xcb n GLN 135 N -4.26 0.16 -0.10 1.05 3.00 -0.71 -4.47 117.38 112.04 1xcb n GLN 135 Ca -0.02 -0.01 -0.24 0.00 -0.01 0.00 0.00 57.00 56.72 1xcb n GLN 135 Cb 0.29 -1.54 -0.11 0.00 0.00 0.00 0.00 30.24 28.87 1xcb n GLN 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1xcb n ARG 136 N -1.74 0.61 0.00 -1.09 5.12 -0.25 -4.74 116.66 114.57 1xcb n ARG 136 Ca 0.03 0.40 0.00 0.00 -1.93 0.00 0.00 57.85 56.35 1xcb n ARG 136 Cb 0.39 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 1xcb n ARG 136 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1xcb n VAL 137 N -4.14 0.00 -0.15 1.55 0.31 0.62 -4.13 118.33 112.39 1xcb n VAL 137 Ca -0.40 1.31 -0.06 0.00 -0.01 0.00 0.00 64.34 65.17 1xcb n VAL 137 Cb 0.82 -2.11 -0.01 0.00 -0.91 0.00 0.00 33.84 31.64 1xcb n VAL 137 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1xcb n PRO 138 N -1.73 0.00 -1.42 5.55 -0.02 -1.26 -0.06 135.00 136.05 1xcb n PRO 138 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 1xcb n PRO 138 Cb 0.00 -0.13 -0.03 0.00 -0.02 0.00 0.00 33.50 33.31 1xcb n PRO 138 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xcb n GLY 139 N 0.38 0.65 0.97 -1.23 0.00 -1.26 -4.55 105.19 100.15 1xcb n GLY 139 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1xcb n GLY 139 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xcb n ARG 140 N -1.73 0.00 -3.85 1.61 0.63 0.36 -5.04 116.66 108.64 1xcb n ARG 140 Ca -0.09 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.55 1xcb n ARG 140 Cb 0.33 -0.36 -0.16 0.00 0.45 0.00 0.00 32.46 32.72 1xcb n ARG 140 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1xcb s ILE 141 N -1.69 1.04 -0.21 5.15 1.01 0.91 -4.02 121.20 123.39 1xcb s ILE 141 Ca 0.00 -0.80 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 1xcb s ILE 141 Cb 0.00 -1.36 -0.19 0.00 0.01 0.00 0.00 42.46 40.92 1xcb s ILE 141 CO 0.00 -0.07 0.07 -0.62 0.00 0.00 0.00 174.94 174.32 1xcb n GLU 142 N 4.87 0.62 -4.02 2.79 4.71 0.61 -4.50 120.64 125.73 1xcb n GLU 142 Ca -0.11 0.39 -0.34 0.00 -0.01 0.00 0.00 57.16 57.09 1xcb n GLU 142 Cb 0.46 -1.66 -0.06 0.00 -1.01 0.00 0.00 31.44 29.17 1xcb n GLU 142 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1xcb s ILE 143 N -2.46 5.10 -0.10 -3.67 1.01 -0.70 0.47 121.20 120.85 1xcb s ILE 143 Ca -0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 1xcb s ILE 143 Cb 0.08 -3.29 0.03 0.00 0.01 0.00 0.00 42.46 39.29 1xcb s ILE 143 CO 0.61 0.46 -0.05 0.00 0.00 0.00 0.00 174.94 175.96 1xcb s ALA 144 N -1.14 1.12 -0.29 9.38 0.00 -0.56 -1.98 121.76 128.28 1xcb s ALA 144 Ca 0.21 -0.42 -0.23 0.00 0.00 0.00 0.00 51.96 51.52 1xcb s ALA 144 Cb -0.12 -0.87 -0.00 0.00 0.00 0.00 0.00 23.12 22.13 1xcb s ALA 144 CO 0.11 -0.46 0.76 -0.51 0.00 0.00 0.00 175.76 175.66 1xcb s LEU 145 N 1.80 4.09 -0.70 0.00 1.43 0.04 -1.35 118.68 123.99 1xcb s LEU 145 Ca 0.05 0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 53.64 1xcb s LEU 145 Cb -0.13 -3.04 0.11 0.00 0.03 0.00 0.00 46.19 43.17 1xcb s LEU 145 CO -0.07 -0.56 0.86 -0.22 0.23 0.00 0.00 176.35 176.58 1xcb s LEU 146 N 2.86 5.20 -0.45 1.79 2.96 0.81 -1.89 118.68 129.95 1xcb s LEU 146 Ca 0.31 -1.56 0.04 0.00 -0.22 0.00 0.00 54.13 52.70 1xcb s LEU 146 Cb -0.14 -2.34 0.48 0.00 0.50 0.00 0.00 46.19 44.69 1xcb s LEU 146 CO 0.11 -1.14 1.63 0.35 -1.32 0.00 0.00 176.35 175.99 1xcb n THR 147 N 5.50 3.01 -2.81 3.68 -2.24 -0.35 -2.20 114.28 118.87 1xcb n THR 147 Ca 0.01 -3.23 -0.31 0.00 -2.27 0.00 0.00 64.05 58.25 1xcb n THR 147 Cb 0.45 -0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 67.73 1xcb n THR 147 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1xcb s VAL 148 N -4.28 4.75 0.85 2.28 1.01 -1.06 -4.57 120.40 119.38 1xcb s VAL 148 Ca 0.55 0.70 -0.14 0.00 0.00 0.00 0.00 61.98 63.09 1xcb s VAL 148 Cb 0.45 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1xcb s VAL 148 CO 0.02 -0.53 0.48 -2.65 0.00 0.00 0.00 175.10 172.42 1xcb n PRO 149 N -1.30 -0.01 -0.18 2.72 -0.02 -1.26 -4.65 135.00 130.30 1xcb n PRO 149 Ca 0.03 0.04 -0.02 0.00 -2.02 0.00 0.00 63.50 61.54 1xcb n PRO 149 Cb 0.54 -1.86 0.08 0.00 -0.02 0.00 0.00 33.50 32.24 1xcb n PRO 149 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1xcb h ARG 150 N -1.02 0.35 -1.00 -0.52 1.12 -1.95 -2.71 114.38 108.65 1xcb h ARG 150 Ca -0.44 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.38 1xcb h ARG 150 Cb 1.31 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 31.17 1xcb h ARG 150 CO 0.38 0.23 0.04 0.39 -3.11 0.00 0.00 179.97 177.90 1xcb n GLU 151 N -5.01 1.08 0.00 0.20 -0.58 -1.26 -3.28 120.64 111.79 1xcb n GLU 151 Ca 0.07 -0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1xcb n GLU 151 Cb 0.24 -1.09 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 1xcb n GLU 151 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xcb n ALA 152 N 0.39 0.47 -0.00 0.62 0.00 -1.04 -4.93 120.51 116.02 1xcb n ALA 152 Ca 0.03 -0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1xcb n ALA 152 Cb 0.56 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.09 1xcb n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xcb h ALA 153 N 0.00 0.78 -0.91 0.00 0.00 -1.49 -2.56 119.26 115.07 1xcb h ALA 153 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xcb h ALA 153 Cb 0.74 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1xcb h ALA 153 CO 0.00 0.66 0.56 0.37 0.00 0.00 0.00 179.25 180.85 1xcb h GLN 154 N 0.45 1.23 0.11 0.00 5.75 -1.90 0.04 115.11 120.79 1xcb h GLN 154 Ca 0.03 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 1xcb h GLN 154 Cb 0.98 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 29.27 1xcb h GLN 154 CO 0.09 0.85 -0.05 -0.22 -2.65 0.00 0.00 178.83 176.85 1xcb h LYS 155 N 1.26 -0.14 -1.08 1.69 3.64 -1.95 0.18 116.57 120.16 1xcb h LYS 155 Ca 0.33 0.01 0.32 0.00 -1.27 0.00 0.00 60.65 60.04 1xcb h LYS 155 Cb -0.07 0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 31.66 1xcb h LYS 155 CO -0.06 0.35 0.67 0.00 -2.27 0.00 0.00 179.45 178.13 1xcb h ALA 156 N -0.05 2.20 0.04 5.00 0.00 -1.25 0.38 119.26 125.57 1xcb h ALA 156 Ca -0.02 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xcb h ALA 156 Cb 0.56 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xcb h ALA 156 CO 0.02 -0.73 -0.02 0.00 0.00 0.00 0.00 179.25 178.53 1xcb h ALA 157 N 1.71 -0.05 -1.39 0.00 0.00 -0.91 -2.58 119.26 116.03 1xcb h ALA 157 Ca 0.70 -0.34 0.42 0.00 0.00 0.00 0.00 54.91 55.69 1xcb h ALA 157 Cb 1.76 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.47 1xcb h ALA 157 CO -0.45 -0.13 0.94 -0.44 0.00 0.00 0.00 179.25 179.17 1xcb h ASP 158 N -0.84 0.18 0.96 0.00 5.19 0.27 0.68 116.42 122.86 1xcb h ASP 158 Ca -0.01 0.08 -0.20 0.00 -0.62 0.00 0.00 57.03 56.28 1xcb h ASP 158 Cb 0.69 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.23 1xcb h ASP 158 CO 0.01 -0.07 -1.10 -0.07 -3.12 0.00 0.00 179.24 174.89 1xcb h LEU 159 N 0.10 0.00 -0.13 1.55 4.07 -0.63 -3.00 115.31 117.27 1xcb h LEU 159 Ca 0.76 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 58.57 1xcb h LEU 159 Cb 2.60 0.00 0.01 0.00 1.08 0.00 0.00 40.66 44.35 1xcb h LEU 159 CO -0.24 0.85 -0.53 -0.07 -1.08 0.00 0.00 178.44 177.37 1xcb h LEU 160 N 0.00 0.68 0.47 1.67 3.38 0.72 -3.10 115.31 119.13 1xcb h LEU 160 Ca -0.09 -0.62 -0.02 0.00 0.09 0.00 0.00 57.88 57.24 1xcb h LEU 160 Cb 1.72 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.27 1xcb h LEU 160 CO 0.10 1.19 -0.28 0.58 0.09 0.00 0.00 178.44 180.12 1xcb h VAL 161 N 0.22 0.00 0.00 1.22 2.07 -1.26 -1.66 116.25 116.83 1xcb h VAL 161 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1xcb h VAL 161 Cb 1.16 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1xcb h VAL 161 CO 0.11 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.70 1xcb n ALA 162 N -2.44 0.91 -0.34 1.67 0.00 -1.13 0.78 120.51 119.95 1xcb n ALA 162 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1xcb n ALA 162 Cb 0.29 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1xcb n ALA 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xcb n ALA 163 N 0.16 1.29 -0.29 0.00 0.00 -0.70 -4.89 120.51 116.08 1xcb n ALA 163 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1xcb n ALA 163 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xcb n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xcb n GLY 164 N 0.14 0.84 3.76 0.00 0.00 0.23 -4.17 105.19 106.00 1xcb n GLY 164 Ca 0.00 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1xcb n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xcb s ILE 165 N -2.00 2.60 -0.03 -0.61 1.10 -0.77 -4.75 121.20 116.75 1xcb s ILE 165 Ca 0.00 0.48 -0.01 0.00 -0.51 0.00 0.00 60.65 60.61 1xcb s ILE 165 Cb 0.00 -3.26 -0.00 0.00 0.15 0.00 0.00 42.46 39.35 1xcb s ILE 165 CO 0.00 0.03 -0.02 0.11 -2.11 0.00 0.00 174.94 172.95 1xcb h LYS 166 N 2.12 0.00 -5.57 3.50 1.79 -0.25 -3.45 116.57 114.71 1xcb h LYS 166 Ca -0.50 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.45 1xcb h LYS 166 Cb 1.26 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.77 1xcb h LYS 166 CO 0.60 0.00 -0.67 0.20 -1.08 0.00 0.00 179.45 178.50 1xcb s GLY 167 N -2.60 1.94 -0.08 3.86 0.00 -1.08 -2.76 107.32 106.60 1xcb s GLY 167 Ca -0.02 -1.96 -0.03 0.00 0.00 0.00 0.00 44.72 42.71 1xcb s GLY 167 CO 0.02 -1.88 0.16 -1.50 0.00 0.00 0.00 173.10 169.90 1xcb s ILE 168 N -2.95 -0.11 -0.35 0.90 2.07 0.68 -1.50 121.20 119.94 1xcb s ILE 168 Ca 0.31 0.23 -0.18 0.00 -1.41 0.00 0.00 60.65 59.59 1xcb s ILE 168 Cb 0.04 -0.27 -0.00 0.00 0.13 0.00 0.00 42.46 42.36 1xcb s ILE 168 CO 0.13 0.09 0.51 -0.22 -1.91 0.00 0.00 174.94 173.54 1xcb s LEU 169 N 1.51 4.37 -0.11 8.50 2.96 -0.46 -1.53 118.68 133.92 1xcb s LEU 169 Ca -0.06 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1xcb s LEU 169 Cb -0.12 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.99 1xcb s LEU 169 CO -0.06 -0.49 -0.16 0.21 -1.32 0.00 0.00 176.35 174.53 1xcb s ASN 170 N 1.77 3.78 0.00 3.68 3.84 -0.44 -0.13 114.94 127.43 1xcb s ASN 170 Ca 0.18 -0.37 0.19 0.00 0.21 0.00 0.00 52.86 53.07 1xcb s ASN 170 Cb -0.15 -1.42 0.31 0.00 -0.55 0.00 0.00 41.25 39.43 1xcb s ASN 170 CO 0.13 0.19 1.25 0.49 -2.79 0.00 0.00 177.10 176.37 1xcb n PHE 171 N 3.33 0.34 -2.69 0.43 3.01 -0.94 -1.33 117.46 119.61 1xcb n PHE 171 Ca -0.18 -0.22 -0.42 0.00 1.01 0.00 0.00 57.45 57.64 1xcb n PHE 171 Cb 0.53 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.96 1xcb n PHE 171 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xcb s ALA 172 N -1.33 3.32 -0.14 4.37 0.00 -1.24 -4.88 121.76 121.86 1xcb s ALA 172 Ca 0.30 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.69 1xcb s ALA 172 Cb 0.18 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 1xcb s ALA 172 CO 0.25 -0.48 1.13 -0.35 0.00 0.00 0.00 175.76 176.32 1xcb n PRO 173 N 4.61 0.39 -3.67 0.00 -0.04 -1.26 -4.64 135.00 130.39 1xcb n PRO 173 Ca 0.08 -0.53 -0.14 0.00 -0.04 0.00 0.00 63.50 62.87 1xcb n PRO 173 Cb 0.49 -1.94 -0.07 0.00 -0.04 0.00 0.00 33.50 31.95 1xcb n PRO 173 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xcb s VAL 174 N 4.09 0.05 -0.63 0.52 0.11 -1.26 -5.01 120.40 118.28 1xcb s VAL 174 Ca 0.08 -0.39 -0.16 0.00 -2.93 0.00 0.00 61.98 58.59 1xcb s VAL 174 Cb 0.03 -0.87 0.15 0.00 -1.53 0.00 0.00 36.38 34.16 1xcb s VAL 174 CO -0.01 -0.21 0.60 -0.69 -3.33 0.00 0.00 175.10 171.46 1xcb s VAL 175 N -1.97 5.26 0.55 2.04 1.01 -1.26 -5.03 120.40 121.01 1xcb s VAL 175 Ca -0.08 -1.70 -0.20 0.00 0.00 0.00 0.00 61.98 60.00 1xcb s VAL 175 Cb -0.02 -4.40 -0.06 0.00 0.00 0.00 0.00 36.38 31.90 1xcb s VAL 175 CO 0.01 -0.95 0.97 0.18 0.00 0.00 0.00 175.10 175.32 1xcb n LEU 176 N 5.06 3.39 -4.22 3.92 4.77 -1.26 -4.99 117.00 123.66 1xcb n LEU 176 Ca -0.06 0.87 -0.38 0.00 -0.03 0.00 0.00 56.01 56.41 1xcb n LEU 176 Cb 0.42 -1.38 -0.12 0.00 -2.33 0.00 0.00 43.42 40.01 1xcb n LEU 176 CO 0.49 -1.75 -0.22 -0.70 -1.33 0.00 0.00 177.39 173.88 1xcb s GLU 177 N -2.55 2.46 0.31 3.23 2.56 -1.26 -5.09 118.70 118.36 1xcb s GLU 177 Ca 0.72 -1.39 0.03 0.00 0.00 0.00 0.00 54.97 54.33 1xcb s GLU 177 Cb -0.45 -3.52 -0.05 0.00 2.00 0.00 0.00 34.13 32.11 1xcb s GLU 177 CO 0.50 -0.81 0.09 0.14 -0.56 0.00 0.00 175.26 174.62 1xcb s VAL 178 N 1.33 0.82 0.14 3.70 -7.23 -1.26 -4.89 120.40 113.01 1xcb s VAL 178 Ca 0.01 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.88 1xcb s VAL 178 Cb -0.21 -2.66 -0.06 0.00 0.56 0.00 0.00 36.38 34.01 1xcb s VAL 178 CO 0.01 0.00 0.94 -2.16 -0.31 0.00 0.00 175.10 173.58 1xcb s PRO 179 N -3.91 4.72 0.11 4.82 0.04 -1.26 -4.92 135.00 134.60 1xcb s PRO 179 Ca 0.35 1.43 0.05 0.00 0.04 0.00 0.00 61.00 62.87 1xcb s PRO 179 Cb 0.07 -3.35 0.38 0.00 0.04 0.00 0.00 34.50 31.64 1xcb s PRO 179 CO 0.15 0.29 0.50 1.63 0.04 0.00 0.00 177.00 179.61 1xcb n LYS 180 N 2.48 -0.02 0.00 4.56 5.02 -1.26 0.22 118.16 129.16 1xcb n LYS 180 Ca 0.01 0.45 0.10 0.00 -2.02 0.00 0.00 58.31 56.85 1xcb n LYS 180 Cb 0.49 -0.78 0.52 0.00 -0.02 0.00 0.00 35.03 35.23 1xcb n LYS 180 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1xcb n GLU 181 N -3.88 0.39 -3.78 1.97 0.00 -1.26 -4.58 120.64 109.51 1xcb n GLU 181 Ca 0.11 0.07 -0.37 0.00 0.00 0.00 0.00 57.16 56.97 1xcb n GLU 181 Cb 0.36 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.18 1xcb n GLU 181 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1xcb s VAL 182 N -2.38 3.88 -0.04 3.84 1.01 0.58 -4.91 120.40 122.39 1xcb s VAL 182 Ca 0.22 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 1xcb s VAL 182 Cb 0.13 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1xcb s VAL 182 CO 0.27 0.11 0.54 0.00 0.00 0.00 0.00 175.10 176.02 1xcb s ALA 183 N 1.49 3.51 -0.05 5.51 0.00 -1.11 -4.72 121.76 126.39 1xcb s ALA 183 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1xcb s ALA 183 Cb -0.17 -2.67 0.02 0.00 0.00 0.00 0.00 23.12 20.31 1xcb s ALA 183 CO 0.02 0.16 -0.03 0.14 0.00 0.00 0.00 175.76 176.05 1xcb s VAL 184 N -0.08 0.47 -0.17 0.00 -7.23 -1.26 -0.23 120.40 111.89 1xcb s VAL 184 Ca 0.29 -0.04 -0.02 0.00 -1.81 0.00 0.00 61.98 60.40 1xcb s VAL 184 Cb -0.17 -0.53 -0.01 0.00 0.56 0.00 0.00 36.38 36.23 1xcb s VAL 184 CO 0.15 0.23 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.36 1xcb s GLU 185 N 1.19 3.36 0.21 4.82 2.56 -0.58 -4.97 118.70 125.28 1xcb s GLU 185 Ca -0.07 -0.67 -0.15 0.00 0.00 0.00 0.00 54.97 54.09 1xcb s GLU 185 Cb -0.14 -2.78 -0.08 0.00 2.00 0.00 0.00 34.13 33.13 1xcb s GLU 185 CO -0.02 0.02 0.62 -0.80 -0.56 0.00 0.00 175.26 174.52 1xcb s ASN 186 N 0.87 6.82 -0.07 -1.70 -0.87 -1.26 -1.33 114.94 117.41 1xcb s ASN 186 Ca -0.03 1.15 0.01 0.00 -1.57 0.00 0.00 52.86 52.43 1xcb s ASN 186 Cb -0.15 -2.32 -0.03 0.00 -0.02 0.00 0.00 41.25 38.73 1xcb s ASN 186 CO 0.00 -0.00 -0.07 -0.69 -2.57 0.00 0.00 177.10 173.77 1xcb s VAL 187 N -1.64 3.68 -0.48 1.60 1.01 -0.45 -4.91 120.40 119.21 1xcb s VAL 187 Ca 0.44 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.99 1xcb s VAL 187 Cb -0.14 -2.50 0.21 0.00 0.00 0.00 0.00 36.38 33.94 1xcb s VAL 187 CO 0.20 0.60 0.47 -0.67 0.00 0.00 0.00 175.10 175.70 1xcb n ASP 188 N 2.22 0.82 -0.34 3.32 4.64 -1.26 -4.70 116.55 121.25 1xcb n ASP 188 Ca -0.18 -2.74 0.33 0.00 -1.38 0.00 0.00 54.79 50.82 1xcb n ASP 188 Cb 0.53 -0.63 0.51 0.00 -1.04 0.00 0.00 41.12 40.50 1xcb n ASP 188 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1xcb n PHE 189 N 1.99 0.00 -0.42 -0.67 0.99 -1.26 -0.32 117.46 117.77 1xcb n PHE 189 Ca 0.26 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.77 1xcb n PHE 189 Cb 0.47 -0.31 0.32 0.00 -1.00 0.00 0.00 39.48 38.96 1xcb n PHE 189 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1xcb n LEU 190 N -3.34 4.54 0.08 4.37 4.32 -1.26 -4.24 117.00 121.48 1xcb n LEU 190 Ca 0.28 -2.30 -0.04 0.00 -0.02 0.00 0.00 56.01 53.93 1xcb n LEU 190 Cb 1.60 -0.60 -0.07 0.00 -1.62 0.00 0.00 43.42 42.72 1xcb n LEU 190 CO 0.28 0.62 0.24 0.00 -1.22 0.00 0.00 177.39 177.30 1xcb h ALA 191 N 3.76 0.46 0.00 -1.18 0.00 -1.11 -3.15 119.26 118.04 1xcb h ALA 191 Ca 0.00 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 1xcb h ALA 191 Cb 1.52 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1xcb h ALA 191 CO 0.32 1.05 -0.01 0.78 0.00 0.00 0.00 179.25 181.38 1xcb h GLY 192 N 3.17 0.00 -0.16 0.00 0.00 -1.79 -2.90 103.07 101.39 1xcb h GLY 192 Ca -0.01 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.48 1xcb h GLY 192 CO 0.11 0.00 0.12 1.41 0.00 0.00 0.00 176.54 178.18 1xcb h LEU 193 N 0.00 -0.11 -1.08 3.11 3.38 -1.85 0.26 115.31 119.02 1xcb h LEU 193 Ca -0.00 0.16 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 1xcb h LEU 193 Cb 0.03 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1xcb h LEU 193 CO 0.00 -0.09 -0.46 0.74 0.09 0.00 0.00 178.44 178.73 1xcb h THR 194 N 0.20 1.33 -0.36 0.22 2.02 -1.73 0.29 112.91 114.88 1xcb h THR 194 Ca 0.41 -1.57 -0.08 0.00 0.77 0.00 0.00 66.41 65.94 1xcb h THR 194 Cb 0.71 1.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1xcb h THR 194 CO -0.56 0.45 -0.07 0.03 0.37 0.00 0.00 175.52 175.75 1xcb h ARG 195 N 0.00 0.69 -0.35 6.66 3.08 -0.71 -1.95 114.38 121.80 1xcb h ARG 195 Ca -0.00 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.74 1xcb h ARG 195 Cb 0.81 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1xcb h ARG 195 CO 0.06 0.83 0.01 1.25 -1.07 0.00 0.00 179.97 181.05 1xcb h LEU 196 N 0.49 0.60 -0.44 3.04 5.85 -0.52 -0.75 115.31 123.57 1xcb h LEU 196 Ca 0.09 -0.30 0.09 0.00 0.84 0.00 0.00 57.88 58.60 1xcb h LEU 196 Cb 0.57 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.34 1xcb h LEU 196 CO 0.03 0.76 -0.19 -1.28 -0.34 0.00 0.00 178.44 177.42 1xcb h SER 197 N 0.43 -0.65 -0.68 1.25 0.87 -0.25 0.47 113.55 114.98 1xcb h SER 197 Ca 0.10 0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.74 1xcb h SER 197 Cb 0.45 0.37 -0.03 0.00 -0.44 0.00 0.00 62.40 62.75 1xcb h SER 197 CO 0.02 -0.22 0.13 0.15 -0.53 0.00 0.00 176.83 176.37 1xcb h PHE 198 N -0.10 1.18 -0.59 2.24 3.57 -1.12 -2.87 116.94 119.25 1xcb h PHE 198 Ca 0.21 -0.16 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1xcb h PHE 198 Cb 0.43 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1xcb h PHE 198 CO -0.45 0.98 0.37 0.00 -2.23 0.00 0.00 178.31 176.98 1xcb h ALA 199 N 1.06 0.75 -0.61 2.41 0.00 -0.07 -0.91 119.26 121.89 1xcb h ALA 199 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xcb h ALA 199 Cb 0.42 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1xcb h ALA 199 CO 0.01 0.22 0.40 0.82 0.00 0.00 0.00 179.25 180.69 1xcb h ILE 200 N 0.80 1.16 0.00 0.00 2.04 -0.80 -2.31 117.51 118.40 1xcb h ILE 200 Ca 0.21 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1xcb h ILE 200 Cb -0.04 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1xcb h ILE 200 CO -0.04 0.15 0.00 -0.07 0.00 0.00 0.00 178.15 178.19 1xcb h LEU 201 N 0.82 0.00 -6.43 1.44 4.07 -1.26 -3.36 115.31 110.60 1xcb h LEU 201 Ca 0.22 0.00 -0.59 0.00 0.08 0.00 0.00 57.88 57.59 1xcb h LEU 201 Cb -0.09 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 41.26 1xcb h LEU 201 CO -0.05 0.00 -0.87 0.59 -1.08 0.00 0.00 178.44 177.04 1xcb n ASN 202 N -2.91 0.97 -4.44 -0.43 4.13 -0.38 -5.08 115.26 107.11 1xcb n ASN 202 Ca 0.02 -2.76 -0.52 0.00 1.68 0.00 0.00 54.58 52.99 1xcb n ASN 202 Cb 0.35 -0.63 -0.08 0.00 -1.54 0.00 0.00 39.78 37.89 1xcb n ASN 202 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1xcb n PRO 203 N 2.09 0.96 0.00 3.52 -0.04 -1.16 -4.73 135.00 135.64 1xcb n PRO 203 Ca 0.26 0.27 0.15 0.00 -0.04 0.00 0.00 63.50 64.14 1xcb n PRO 203 Cb 0.45 -2.31 0.69 0.00 -0.04 0.00 0.00 33.50 32.29 1xcb n PRO 203 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63