#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xcb n PRO 4 N 0.00 1.42 0.12 7.34 -0.02 -1.26 -4.82 135.00 137.79 1xcb n PRO 4 Ca 0.00 0.52 0.20 0.00 -2.02 0.00 0.00 63.50 62.20 1xcb n PRO 4 Cb 0.00 -2.25 0.74 0.00 -0.02 0.00 0.00 33.50 31.97 1xcb n PRO 4 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1xcb h GLU 5 N 7.86 0.00 0.00 -0.52 9.09 -2.07 0.40 114.58 129.34 1xcb h GLU 5 Ca -0.47 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 58.84 1xcb h GLU 5 Cb 1.31 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.39 1xcb h GLU 5 CO 0.96 0.00 -0.50 0.00 0.05 0.00 0.00 179.01 179.52 1xcb h ALA 6 N 1.45 0.99 -0.04 1.06 0.00 -2.02 -3.19 119.26 117.51 1xcb h ALA 6 Ca 0.18 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 1xcb h ALA 6 Cb 1.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1xcb h ALA 6 CO -0.00 0.63 -0.69 0.00 0.00 0.00 0.00 179.25 179.18 1xcb h ALA 7 N 1.50 0.77 -0.53 0.00 0.00 -1.27 -3.05 119.26 116.67 1xcb h ALA 7 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1xcb h ALA 7 Cb 1.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1xcb h ALA 7 CO 0.07 0.80 0.33 0.82 0.00 0.00 0.00 179.25 181.27 1xcb h ILE 8 N 0.12 1.14 0.99 0.00 2.04 -1.59 -0.43 117.51 119.80 1xcb h ILE 8 Ca -0.02 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 1xcb h ILE 8 Cb 1.23 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1xcb h ILE 8 CO 0.10 0.14 -0.48 0.28 0.00 0.00 0.00 178.15 178.20 1xcb h SER 9 N 0.72 -1.13 -0.87 1.72 0.02 -1.64 -1.39 113.55 110.99 1xcb h SER 9 Ca 0.19 0.04 0.23 0.00 -0.84 0.00 0.00 61.79 61.41 1xcb h SER 9 Cb -0.06 0.29 -0.14 0.00 0.14 0.00 0.00 62.40 62.64 1xcb h SER 9 CO -0.04 -0.80 0.24 0.03 -1.14 0.00 0.00 176.83 175.12 1xcb h ARG 10 N -1.34 0.22 -0.25 3.45 3.08 -1.38 0.22 114.38 118.38 1xcb h ARG 10 Ca -0.14 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.92 1xcb h ARG 10 Cb 1.02 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 1xcb h ARG 10 CO 0.22 0.14 0.10 -0.07 -1.07 0.00 0.00 179.97 179.30 1xcb h LEU 11 N 0.22 0.13 -0.52 3.04 3.38 -0.76 0.56 115.31 121.36 1xcb h LEU 11 Ca 0.54 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.53 1xcb h LEU 11 Cb 1.07 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1xcb h LEU 11 CO -0.64 0.11 0.35 0.40 0.09 0.00 0.00 178.44 178.75 1xcb h ILE 12 N 0.22 1.14 -0.69 1.22 2.04 0.41 -0.27 117.51 121.58 1xcb h ILE 12 Ca 0.10 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1xcb h ILE 12 Cb 0.06 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.46 1xcb h ILE 12 CO -0.09 0.13 0.43 0.74 0.00 0.00 0.00 178.15 179.36 1xcb h THR 13 N 0.71 1.08 -0.03 -0.27 2.02 -0.11 -0.51 112.91 115.80 1xcb h THR 13 Ca 0.19 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 67.11 1xcb h THR 13 Cb -0.08 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 1xcb h THR 13 CO -0.04 0.15 -0.08 1.88 0.37 0.00 0.00 175.52 177.81 1xcb h TYR 14 N 0.83 -0.19 0.42 3.16 0.99 0.13 -0.02 116.97 122.29 1xcb h TYR 14 Ca 0.28 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 61.00 1xcb h TYR 14 Cb 0.04 0.09 -0.00 0.00 1.00 0.00 0.00 36.73 37.86 1xcb h TYR 14 CO -0.05 -0.12 -0.24 -0.07 -0.00 0.00 0.00 178.16 177.68 1xcb h LEU 15 N -0.12 -0.60 -1.37 3.88 3.38 -0.66 0.15 115.31 119.97 1xcb h LEU 15 Ca 0.04 0.03 0.33 0.00 0.09 0.00 0.00 57.88 58.38 1xcb h LEU 15 Cb 0.17 0.17 -0.11 0.00 0.09 0.00 0.00 40.66 40.99 1xcb h LEU 15 CO -0.10 -0.39 0.73 -0.09 0.09 0.00 0.00 178.44 178.68 1xcb h ARG 16 N -0.62 0.26 0.01 1.13 2.43 -0.89 0.94 114.38 117.64 1xcb h ARG 16 Ca -0.05 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1xcb h ARG 16 Cb 0.51 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1xcb h ARG 16 CO 0.06 0.17 -0.01 0.82 -1.51 0.00 0.00 179.97 179.51 1xcb h ILE 17 N 0.27 0.00 -0.96 1.20 1.08 0.33 -2.88 117.51 116.55 1xcb h ILE 17 Ca 0.68 -0.01 0.31 0.00 -0.39 0.00 0.00 64.86 65.45 1xcb h ILE 17 Cb 1.91 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 35.50 1xcb h ILE 17 CO -0.35 0.00 0.37 -0.07 -0.69 0.00 0.00 178.15 177.41 1xcb h LEU 18 N -0.03 0.14 -1.09 1.44 3.38 0.45 0.42 115.31 120.03 1xcb h LEU 18 Ca -0.00 0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1xcb h LEU 18 Cb 0.01 0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1xcb h LEU 18 CO 0.00 -0.25 0.16 -0.33 0.09 0.00 0.00 178.44 178.11 1xcb h GLU 19 N 0.16 0.81 0.00 1.13 5.08 0.77 0.64 114.58 123.16 1xcb h GLU 19 Ca 0.68 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.88 1xcb h GLU 19 Cb 1.57 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 1xcb h GLU 19 CO -0.72 0.71 -0.23 0.93 -1.00 0.00 0.00 179.01 178.70 1xcb h GLU 20 N 0.79 0.00 0.00 2.33 4.39 -0.01 -2.93 114.58 119.15 1xcb h GLU 20 Ca 0.18 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.71 1xcb h GLU 20 Cb 0.24 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1xcb h GLU 20 CO -0.01 0.07 -1.24 1.37 -1.16 0.00 0.00 179.01 178.05 1xcb h LEU 21 N 0.00 0.00 -0.09 1.33 8.10 -0.47 -3.20 115.31 120.98 1xcb h LEU 21 Ca -0.00 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.83 1xcb h LEU 21 Cb 1.07 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.29 1xcb h LEU 21 CO 0.01 0.63 -0.55 -0.08 -4.11 0.00 0.00 178.44 174.34 1xcb h GLU 22 N 0.00 0.54 0.00 0.17 4.81 -0.94 -2.72 114.58 116.44 1xcb h GLU 22 Ca -0.14 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 1xcb h GLU 22 Cb 1.60 0.10 0.00 0.00 0.63 0.00 0.00 28.75 31.08 1xcb h GLU 22 CO 0.06 1.08 0.04 0.00 -0.73 0.00 0.00 179.01 179.46 1xcb n ALA 23 N -2.56 0.97 0.69 2.92 0.00 -1.11 0.50 120.51 121.92 1xcb n ALA 23 Ca -0.08 0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.57 1xcb n ALA 23 Cb 0.63 -1.14 0.05 0.00 0.00 0.00 0.00 19.45 18.99 1xcb n ALA 23 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1xcb n GLN 24 N -1.98 1.42 -0.62 0.00 -0.06 -1.05 -5.05 117.38 110.04 1xcb n GLN 24 Ca -0.01 -1.29 0.00 0.00 -2.00 0.00 0.00 57.00 53.70 1xcb n GLN 24 Cb 0.06 -1.30 0.00 0.00 -4.06 0.00 0.00 30.24 24.94 1xcb n GLN 24 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xcb n GLY 25 N 0.99 -1.23 3.61 1.69 0.00 0.18 -5.08 105.19 105.36 1xcb n GLY 25 Ca 0.09 -0.72 -0.02 0.00 0.00 0.00 0.00 46.02 45.37 1xcb n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xcb s VAL 26 N 0.00 0.00 0.00 1.61 0.11 -1.25 -4.92 120.40 115.94 1xcb s VAL 26 Ca 0.00 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1xcb s VAL 26 Cb 0.00 -1.51 0.00 0.00 -1.53 0.00 0.00 36.38 33.34 1xcb s VAL 26 CO 0.00 0.00 0.00 1.41 -3.33 0.00 0.00 175.10 173.18 1xcb n HIS 27 N -0.31 0.00 -4.86 1.54 8.25 -1.26 -4.86 115.22 113.73 1xcb n HIS 27 Ca -0.05 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.14 1xcb n HIS 27 Cb 0.61 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.55 1xcb n HIS 27 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1xcb s ARG 28 N -1.30 2.03 -0.03 -0.41 3.03 -1.25 -0.49 118.95 120.53 1xcb s ARG 28 Ca 0.00 -0.62 0.01 0.00 2.03 0.00 0.00 55.73 57.15 1xcb s ARG 28 Cb 0.00 -1.68 0.02 0.00 -1.03 0.00 0.00 34.95 32.26 1xcb s ARG 28 CO 0.00 0.18 -0.04 -0.08 -1.13 0.00 0.00 175.30 174.23 1xcb s THR 29 N 0.26 0.43 0.64 4.99 -1.32 -0.28 -4.72 115.64 115.64 1xcb s THR 29 Ca -0.10 -0.10 -0.02 0.00 -1.21 0.00 0.00 61.69 60.27 1xcb s THR 29 Cb -0.14 -0.46 0.07 0.00 -1.51 0.00 0.00 72.50 70.46 1xcb s THR 29 CO 0.04 0.19 0.91 -0.94 -2.21 0.00 0.00 174.62 172.60 1xcb s SER 30 N 0.73 4.85 0.24 8.08 1.04 -1.26 0.03 113.70 127.41 1xcb s SER 30 Ca -0.09 0.01 -0.07 0.00 0.48 0.00 0.00 55.95 56.28 1xcb s SER 30 Cb -0.12 -0.68 0.23 0.00 0.10 0.00 0.00 66.02 65.55 1xcb s SER 30 CO -0.00 -1.49 1.89 0.28 0.98 0.00 0.00 173.24 174.89 1xcb h SER 31 N -0.30 1.14 -0.44 7.02 0.02 -1.90 -0.46 113.55 118.62 1xcb h SER 31 Ca -0.41 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 60.51 1xcb h SER 31 Cb 1.29 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 63.51 1xcb h SER 31 CO 0.50 0.87 0.22 -0.08 -1.14 0.00 0.00 176.83 177.21 1xcb h GLU 32 N 1.30 0.43 -0.12 3.45 4.81 -1.93 -0.87 114.58 121.65 1xcb h GLU 32 Ca 0.34 -0.03 -0.22 0.00 -0.13 0.00 0.00 59.36 59.32 1xcb h GLU 32 Cb -0.06 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.24 1xcb h GLU 32 CO -0.06 0.28 -0.81 0.37 -0.73 0.00 0.00 179.01 178.06 1xcb h GLN 33 N 0.44 0.72 -0.96 1.92 4.15 -1.82 -2.52 115.11 117.05 1xcb h GLN 33 Ca 0.19 -0.61 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1xcb h GLN 33 Cb 0.10 0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.88 1xcb h GLN 33 CO -0.13 1.22 0.61 -0.07 -1.93 0.00 0.00 178.83 178.53 1xcb h LEU 34 N 0.48 1.12 -0.29 -2.39 3.38 -0.92 -1.01 115.31 115.68 1xcb h LEU 34 Ca -0.06 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1xcb h LEU 34 Cb 1.43 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1xcb h LEU 34 CO 0.16 0.83 -0.22 1.23 0.09 0.00 0.00 178.44 180.54 1xcb h GLY 35 N 1.30 0.72 0.99 0.83 0.00 -1.16 -0.98 103.07 104.77 1xcb h GLY 35 Ca 0.35 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1xcb h GLY 35 CO -0.07 0.63 0.30 1.05 0.00 0.00 0.00 176.54 178.45 1xcb h GLU 36 N 0.40 0.88 0.00 4.80 4.11 -1.17 0.37 114.58 123.98 1xcb h GLU 36 Ca 0.06 -0.13 -0.10 0.00 0.07 0.00 0.00 59.36 59.26 1xcb h GLU 36 Cb 0.77 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1xcb h GLU 36 CO 0.06 0.71 -0.49 -0.07 0.07 0.00 0.00 179.01 179.29 1xcb h LEU 37 N 0.84 0.00 -1.78 3.06 3.38 -1.16 -3.17 115.31 116.49 1xcb h LEU 37 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1xcb h LEU 37 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xcb h LEU 37 CO -0.03 0.49 -0.02 0.00 0.09 0.00 0.00 178.44 178.96 1xcb n ALA 38 N -2.34 2.52 -3.42 1.53 0.00 -0.38 -5.00 120.51 113.42 1xcb n ALA 38 Ca -0.00 -0.67 -0.17 0.00 0.00 0.00 0.00 53.44 52.60 1xcb n ALA 38 Cb 0.57 -0.72 0.09 0.00 0.00 0.00 0.00 19.45 19.38 1xcb n ALA 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xcb n GLN 39 N 1.13 -6.46 -4.19 0.00 6.02 0.12 -5.02 117.38 108.97 1xcb n GLN 39 Ca 0.12 0.85 -0.12 0.00 -0.01 0.00 0.00 57.00 57.85 1xcb n GLN 39 Cb 0.53 -5.87 -0.10 0.00 1.02 0.00 0.00 30.24 25.82 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 -3.36 0.03 0.55 5.09 -7.23 -0.57 -5.04 120.40 109.86 1xcb s VAL 40 Ca 0.02 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 58.03 1xcb s VAL 40 Cb -0.00 -2.43 -0.06 0.00 0.56 0.00 0.00 36.38 34.45 1xcb s VAL 40 CO 0.73 -0.08 1.04 0.42 -0.31 0.00 0.00 175.10 176.90 1xcb s THR 41 N -4.13 3.92 0.35 5.32 -4.23 -1.26 -4.23 115.64 111.37 1xcb s THR 41 Ca 0.37 0.98 0.34 0.00 -1.18 0.00 0.00 61.69 62.20 1xcb s THR 41 Cb 0.07 -3.45 0.36 0.00 1.34 0.00 0.00 72.50 70.82 1xcb s THR 41 CO 0.10 -0.46 2.10 0.00 -0.54 0.00 0.00 174.62 175.82 1xcb h ALA 42 N 0.81 1.09 0.10 3.99 0.00 -1.89 -2.02 119.26 121.34 1xcb h ALA 42 Ca -0.48 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.09 1xcb h ALA 42 Cb 1.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1xcb h ALA 42 CO 0.58 0.07 -1.49 0.27 0.00 0.00 0.00 179.25 178.69 1xcb h PHE 43 N 0.00 0.39 -0.53 0.00 -5.15 -1.90 -3.09 116.94 106.66 1xcb h PHE 43 Ca -0.00 -0.28 -0.01 0.00 -0.20 0.00 0.00 57.97 57.48 1xcb h PHE 43 Cb 0.34 -0.02 -0.03 0.00 0.22 0.00 0.00 35.95 36.47 1xcb h PHE 43 CO 0.00 1.32 0.31 0.37 -2.00 0.00 0.00 178.31 178.31 1xcb h GLN 44 N 0.06 0.72 -0.51 6.09 5.75 -1.77 -0.54 115.11 124.91 1xcb h GLN 44 Ca -0.22 -0.07 0.10 0.00 -0.15 0.00 0.00 58.65 58.31 1xcb h GLN 44 Cb 1.99 -0.15 -0.09 0.00 1.07 0.00 0.00 27.48 30.30 1xcb h GLN 44 CO 0.16 0.54 -0.10 0.28 -2.65 0.00 0.00 178.83 177.05 1xcb h VAL 45 N 0.71 0.52 0.96 2.39 2.07 -1.45 0.44 116.25 121.88 1xcb h VAL 45 Ca 0.19 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.65 1xcb h VAL 45 Cb 0.01 0.49 0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1xcb h VAL 45 CO -0.03 0.00 -0.46 0.03 0.02 0.00 0.00 177.57 177.13 1xcb h ARG 46 N 0.02 -1.24 -1.00 1.57 3.08 -1.36 -2.42 114.38 113.04 1xcb h ARG 46 Ca 0.25 0.08 0.16 0.00 0.07 0.00 0.00 59.98 60.54 1xcb h ARG 46 Cb 0.38 0.28 -0.16 0.00 0.08 0.00 0.00 29.97 30.55 1xcb h ARG 46 CO -0.50 -0.82 -0.37 1.17 -1.07 0.00 0.00 179.97 178.37 1xcb n LYS 47 N -5.46 -0.21 -0.10 0.04 3.00 -0.25 -0.22 118.16 114.95 1xcb n LYS 47 Ca -0.16 1.54 -0.06 0.00 -0.00 0.00 0.00 58.31 59.63 1xcb n LYS 47 Cb 0.51 -2.29 0.00 0.00 0.00 0.00 0.00 35.03 33.25 1xcb n LYS 47 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1xcb h ASP 48 N 0.00 -0.35 0.51 3.14 3.45 -0.03 -0.62 116.42 122.52 1xcb h ASP 48 Ca 0.37 0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.93 1xcb h ASP 48 Cb 0.61 0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.61 1xcb h ASP 48 CO -1.00 -0.13 0.00 -0.07 -1.57 0.00 0.00 179.24 176.48 1xcb h LEU 49 N -0.01 0.00 0.15 1.55 3.38 -0.09 -3.06 115.31 117.23 1xcb h LEU 49 Ca 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1xcb h LEU 49 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1xcb h LEU 49 CO -0.37 0.00 -0.07 0.28 0.09 0.00 0.00 178.44 178.37 1xcb h SER 50 N 0.00 -0.17 -0.13 -0.43 0.02 0.15 -2.79 113.55 110.20 1xcb h SER 50 Ca 0.00 -0.30 0.04 0.00 -0.84 0.00 0.00 61.79 60.68 1xcb h SER 50 Cb 0.26 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1xcb h SER 50 CO 0.00 0.24 0.84 1.88 -1.14 0.00 0.00 176.83 178.65 1xcb h TYR 51 N -0.62 0.00 -2.07 3.45 -1.99 -1.54 -2.02 116.97 112.18 1xcb h TYR 51 Ca -0.02 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 60.17 1xcb h TYR 51 Cb 0.47 0.00 -0.40 0.00 2.00 0.00 0.00 36.73 38.79 1xcb h TYR 51 CO 0.05 0.00 -0.99 1.19 -0.00 0.00 0.00 178.16 178.41 1xcb n PHE 52 N -2.72 1.13 -0.50 4.88 3.01 -1.08 -5.06 117.46 117.12 1xcb n PHE 52 Ca 0.02 -3.81 0.00 0.00 1.01 0.00 0.00 57.45 54.67 1xcb n PHE 52 Cb 0.89 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 1xcb n PHE 52 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xcb n GLY 53 N 0.68 0.00 0.00 1.37 0.00 -0.76 -4.91 105.19 101.57 1xcb n GLY 53 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1xcb n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xcb n SER 54 N 0.93 0.00 -2.56 1.61 3.41 -1.08 -5.04 113.62 110.90 1xcb n SER 54 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 1xcb n SER 54 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1xcb n SER 54 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1xcb n TYR 55 N -0.28 -4.64 0.00 7.33 4.02 -1.26 -5.10 117.16 117.23 1xcb n TYR 55 Ca 0.00 2.71 0.00 0.00 -0.01 0.00 0.00 57.90 60.60 1xcb n TYR 55 Cb 0.00 -3.95 0.00 0.00 -0.02 0.00 0.00 39.34 35.37 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 61 N 1.75 0.00 3.07 2.72 0.00 -1.24 -5.08 105.19 106.41 1xcb n GLY 61 Ca -0.36 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.71 0.62 -0.96 1.61 2.02 0.10 -4.86 117.35 113.17 1xcb s TYR 62 Ca 0.00 -0.63 -0.16 0.00 -0.37 0.00 0.00 57.07 55.91 1xcb s TYR 62 Cb 0.00 -0.38 0.17 0.00 -0.40 0.00 0.00 41.96 41.35 1xcb s TYR 62 CO 0.00 -0.14 1.08 0.95 -1.57 0.00 0.00 175.55 175.86 1xcb s THR 63 N -2.04 5.09 0.01 -0.71 -4.23 -1.26 -1.13 115.64 111.37 1xcb s THR 63 Ca -0.06 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.36 1xcb s THR 63 Cb -0.06 -4.71 -0.00 0.00 1.34 0.00 0.00 72.50 69.07 1xcb s THR 63 CO -0.02 -1.38 0.32 0.52 -0.54 0.00 0.00 174.62 173.52 1xcb n VAL 64 N 4.79 -0.03 -0.33 2.29 0.31 0.36 0.56 118.33 126.28 1xcb n VAL 64 Ca 0.23 0.48 0.27 0.00 -0.01 0.00 0.00 64.34 65.31 1xcb n VAL 64 Cb 0.47 -0.63 0.58 0.00 -0.91 0.00 0.00 33.84 33.34 1xcb n VAL 64 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1xcb h PRO 65 N 0.00 0.27 0.21 5.55 0.13 -1.90 -1.13 132.00 135.12 1xcb h PRO 65 Ca 0.01 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 1xcb h PRO 65 Cb 0.02 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.09 1xcb h PRO 65 CO -0.04 0.18 -0.10 0.28 -0.23 0.00 0.00 178.00 178.09 1xcb h VAL 66 N 0.27 0.00 -1.07 1.56 2.07 -0.27 -2.87 116.25 115.94 1xcb h VAL 66 Ca 0.60 -0.30 0.33 0.00 0.82 0.00 0.00 66.70 68.16 1xcb h VAL 66 Cb 1.77 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.40 1xcb h VAL 66 CO -0.24 0.00 0.65 0.25 0.02 0.00 0.00 177.57 178.25 1xcb h LEU 67 N -0.58 0.46 0.00 2.57 6.46 -1.22 0.19 115.31 123.19 1xcb h LEU 67 Ca -0.03 0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1xcb h LEU 67 Cb 0.22 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1xcb h LEU 67 CO 0.05 -0.09 0.00 1.17 -0.62 0.00 0.00 178.44 178.94 1xcb n LYS 68 N -4.89 0.00 -0.21 1.25 4.81 -0.45 -0.52 118.16 118.15 1xcb n LYS 68 Ca 0.31 0.36 0.30 0.00 -0.87 0.00 0.00 58.31 58.42 1xcb n LYS 68 Cb 1.04 -1.17 0.65 0.00 0.02 0.00 0.00 35.03 35.57 1xcb n LYS 68 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xcb h ARG 69 N 0.00 0.00 0.48 1.64 3.08 -0.81 0.69 114.38 119.46 1xcb h ARG 69 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1xcb h ARG 69 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1xcb h ARG 69 CO 0.00 0.00 -0.23 0.93 -1.07 0.00 0.00 179.97 179.60 1xcb h GLU 70 N 0.00 -0.61 -0.40 0.04 4.39 0.27 -2.28 114.58 115.98 1xcb h GLU 70 Ca 0.47 0.04 0.02 0.00 0.34 0.00 0.00 59.36 60.23 1xcb h GLU 70 Cb 2.33 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 31.09 1xcb h GLU 70 CO -0.00 -0.32 0.23 -0.07 -1.16 0.00 0.00 179.01 177.68 1xcb h LEU 71 N -0.84 0.37 -0.84 1.33 3.38 0.29 -2.23 115.31 116.77 1xcb h LEU 71 Ca -0.07 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.07 1xcb h LEU 71 Cb 0.57 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.15 1xcb h LEU 71 CO 0.11 0.27 0.40 0.03 0.09 0.00 0.00 178.44 179.33 1xcb h ARG 72 N 0.47 0.52 -0.07 1.13 3.08 -1.16 0.20 114.38 118.54 1xcb h ARG 72 Ca 0.16 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.09 1xcb h ARG 72 Cb 0.02 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1xcb h ARG 72 CO -0.08 0.34 -0.35 1.25 -1.07 0.00 0.00 179.97 180.07 1xcb h HIS 73 N 0.54 0.16 0.14 3.04 2.76 -0.82 0.28 115.15 121.25 1xcb h HIS 73 Ca 0.48 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.60 1xcb h HIS 73 Cb 0.74 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.66 1xcb h HIS 73 CO -0.12 0.47 -0.07 0.82 -1.30 0.00 0.00 177.93 177.74 1xcb h ILE 74 N 0.12 0.93 0.00 6.26 2.04 -0.31 -3.16 117.51 123.40 1xcb h ILE 74 Ca 0.01 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1xcb h ILE 74 Cb 0.68 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1xcb h ILE 74 CO 0.05 0.24 0.00 0.18 0.00 0.00 0.00 178.15 178.62 1xcb n LEU 75 N -4.90 0.00 -1.14 1.44 4.77 0.11 -4.85 117.00 112.42 1xcb n LEU 75 Ca -0.08 0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 1xcb n LEU 75 Cb 0.27 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1xcb n LEU 75 CO 0.26 -0.06 -0.13 0.61 -1.33 0.00 0.00 177.39 176.74 1xcb n GLY 76 N -0.08 0.07 0.13 -0.72 0.00 -0.65 -4.91 105.19 99.04 1xcb n GLY 76 Ca 0.09 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.46 0.73 -0.24 0.99 4.77 0.91 -3.43 117.00 119.27 1xcb n LEU 77 Ca -0.12 -0.10 0.05 0.00 -0.03 0.00 0.00 56.01 55.80 1xcb n LEU 77 Cb 0.57 -0.19 0.20 0.00 -2.33 0.00 0.00 43.42 41.67 1xcb n LEU 77 CO 0.14 0.15 0.64 -0.46 -1.33 0.00 0.00 177.39 176.53 1xcb n ASN 78 N -1.02 0.70 -1.45 -1.43 6.94 -1.18 -4.71 115.26 113.11 1xcb n ASN 78 Ca 0.10 -1.84 0.00 0.00 -0.02 0.00 0.00 54.58 52.82 1xcb n ASN 78 Cb 0.33 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 1xcb n ASN 78 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1xcb n ARG 79 N -0.19 1.52 -3.20 -3.83 1.74 -1.22 -5.07 116.66 106.41 1xcb n ARG 79 Ca 0.08 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.00 1xcb n ARG 79 Cb 0.13 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.52 1xcb n ARG 79 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1xcb s LYS 80 N -0.54 0.85 0.41 5.56 2.36 -1.26 -4.53 119.74 122.59 1xcb s LYS 80 Ca 0.00 -1.28 -0.25 0.00 -2.55 0.00 0.00 55.97 51.90 1xcb s LYS 80 Cb 0.00 -0.71 -0.08 0.00 -1.05 0.00 0.00 37.83 35.99 1xcb s LYS 80 CO 0.00 -1.29 1.16 -1.58 1.55 0.00 0.00 175.35 175.19 1xcb s TRP 81 N 0.87 3.05 -0.31 4.03 0.52 -0.76 -4.91 118.94 121.42 1xcb s TRP 81 Ca 0.25 1.55 -0.20 0.00 0.02 0.00 0.00 56.10 57.73 1xcb s TRP 81 Cb -0.05 -3.38 -0.01 0.00 -1.15 0.00 0.00 33.47 28.89 1xcb s TRP 81 CO -0.09 -1.31 0.60 0.20 0.02 0.00 0.00 176.95 176.37 1xcb s GLY 82 N -1.20 1.79 0.11 0.98 0.00 -1.25 -2.27 107.32 105.47 1xcb s GLY 82 Ca 0.58 -0.72 0.05 0.00 0.00 0.00 0.00 44.72 44.63 1xcb s GLY 82 CO 0.37 1.41 0.01 1.08 0.00 0.00 0.00 173.10 175.98 1xcb s LEU 83 N 2.56 3.49 0.12 0.66 1.43 0.15 -0.94 118.68 126.14 1xcb s LEU 83 Ca 0.24 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 53.10 1xcb s LEU 83 Cb -0.15 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 1xcb s LEU 83 CO 0.12 0.15 0.12 0.00 0.23 0.00 0.00 176.35 176.97 1xcb s ILE 85 N -3.97 1.38 -0.23 0.00 1.01 0.46 0.04 121.20 119.89 1xcb s ILE 85 Ca 0.16 -0.61 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 1xcb s ILE 85 Cb 0.06 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 1xcb s ILE 85 CO -0.03 0.41 -0.00 -0.69 0.00 0.00 0.00 174.94 174.63 1xcb s VAL 86 N 0.66 3.73 0.00 2.92 1.01 0.02 -1.05 120.40 127.69 1xcb s VAL 86 Ca -0.14 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1xcb s VAL 86 Cb -0.16 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1xcb s VAL 86 CO 0.04 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1xcb n GLY 87 N 4.81 1.72 0.00 4.51 0.00 0.94 -1.26 105.19 115.91 1xcb n GLY 87 Ca -0.17 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 1.68 0.10 0.04 -0.02 0.00 -1.26 -3.81 105.19 101.92 1xcb n GLY 89 Ca 0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.09 -0.63 1.61 -0.00 -1.99 -2.06 114.38 111.22 1xcb h ARG 90 Ca 0.00 0.01 0.12 0.00 -0.50 0.00 0.00 59.98 59.60 1xcb h ARG 90 Cb 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 29.97 29.90 1xcb h ARG 90 CO 0.00 -0.06 0.16 1.25 0.00 0.00 0.00 179.97 181.32 1xcb h LEU 91 N -0.16 0.05 0.12 3.04 5.85 -1.90 -1.05 115.31 121.26 1xcb h LEU 91 Ca -0.01 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1xcb h LEU 91 Cb 0.07 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1xcb h LEU 91 CO 0.02 0.02 -0.37 1.23 -0.34 0.00 0.00 178.44 179.00 1xcb h GLY 92 N 0.29 -1.17 2.00 3.75 0.00 -1.66 -0.69 103.07 105.59 1xcb h GLY 92 Ca 0.33 0.60 -0.02 0.00 0.00 0.00 0.00 47.33 48.25 1xcb h GLY 92 CO -0.41 -0.33 -0.09 1.76 0.00 0.00 0.00 176.54 177.48 1xcb h SER 93 N -0.56 0.00 -0.31 0.19 0.02 -1.07 -2.09 113.55 109.73 1xcb h SER 93 Ca -0.01 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.76 1xcb h SER 93 Cb 0.55 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 1xcb h SER 93 CO -0.18 0.09 -0.52 0.00 -1.14 0.00 0.00 176.83 175.08 1xcb h ALA 94 N 1.91 0.48 -0.30 3.77 0.00 -0.87 -3.12 119.26 121.14 1xcb h ALA 94 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xcb h ALA 94 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1xcb h ALA 94 CO 0.01 0.67 0.19 -0.07 0.00 0.00 0.00 179.25 180.05 1xcb h LEU 95 N 0.69 0.34 -1.40 0.00 3.38 -0.46 -2.84 115.31 115.02 1xcb h LEU 95 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xcb h LEU 95 Cb 1.12 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1xcb h LEU 95 CO 0.12 0.27 0.04 0.00 0.09 0.00 0.00 178.44 178.95 1xcb n ALA 96 N -2.18 0.99 0.61 1.53 0.00 -0.97 -1.13 120.51 119.35 1xcb n ALA 96 Ca -0.02 0.20 0.07 0.00 0.00 0.00 0.00 53.44 53.69 1xcb n ALA 96 Cb 0.03 -1.25 0.02 0.00 0.00 0.00 0.00 19.45 18.25 1xcb n ALA 96 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xcb n ASP 97 N -2.25 1.69 -4.73 0.00 10.43 -1.08 -4.81 116.55 115.80 1xcb n ASP 97 Ca -0.01 -1.35 -0.42 0.00 2.57 0.00 0.00 54.79 55.58 1xcb n ASP 97 Cb 0.07 0.33 -0.03 0.00 1.84 0.00 0.00 41.12 43.34 1xcb n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1xcb s TYR 98 N -1.55 2.95 -0.34 1.24 5.04 -0.28 -4.91 117.35 119.51 1xcb s TYR 98 Ca 0.13 0.69 0.04 0.00 -2.44 0.00 0.00 57.07 55.49 1xcb s TYR 98 Cb 0.11 -3.98 0.38 0.00 0.35 0.00 0.00 41.96 38.83 1xcb s TYR 98 CO 0.30 -3.47 1.41 -0.35 -1.34 0.00 0.00 175.55 172.09 1xcb n PRO 99 N 3.23 2.07 -0.14 4.97 -0.04 -1.26 -4.43 135.00 139.40 1xcb n PRO 99 Ca 0.11 -1.64 0.10 0.00 -0.04 0.00 0.00 63.50 62.03 1xcb n PRO 99 Cb 0.38 -1.71 0.16 0.00 -0.04 0.00 0.00 33.50 32.29 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 -0.19 4.71 0.21 0.55 0.00 -1.26 -4.72 105.19 104.49 1xcb n GLY 100 Ca 0.28 -1.10 0.14 0.00 0.00 0.00 0.00 46.02 45.33 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 0.33 0.00 -1.51 1.61 -1.00 -1.89 -3.50 116.94 110.98 1xcb h PHE 101 Ca 0.00 0.00 0.18 0.00 2.81 0.00 0.00 57.97 60.96 1xcb h PHE 101 Cb 1.07 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.58 1xcb h PHE 101 CO 0.09 0.00 -0.27 0.41 -1.61 0.00 0.00 178.31 176.93 1xcb n GLY 102 N 0.76 -1.65 0.18 -1.45 0.00 -1.26 -3.23 105.19 98.54 1xcb n GLY 102 Ca 0.03 -1.35 0.07 0.00 0.00 0.00 0.00 46.02 44.77 1xcb n GLY 102 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xcb h GLU 103 N -0.63 0.00 0.00 1.61 3.07 -1.97 -3.23 114.58 113.43 1xcb h GLU 103 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1xcb h GLU 103 Cb 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1xcb h GLU 103 CO 0.01 0.27 0.00 0.77 -1.40 0.00 0.00 179.01 178.65 1xcb h SER 104 N 0.00 0.00 -3.58 1.42 0.02 -1.80 -3.43 113.55 106.19 1xcb h SER 104 Ca -0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.51 1xcb h SER 104 Cb 1.14 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.35 1xcb h SER 104 CO 0.03 0.00 -0.79 -0.36 -1.14 0.00 0.00 176.83 174.58 1xcb s PHE 105 N -3.52 0.95 -0.09 3.45 0.40 -1.20 -1.84 117.98 116.13 1xcb s PHE 105 Ca 0.02 -0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 56.05 1xcb s PHE 105 Cb 0.09 -0.74 0.04 0.00 0.51 0.00 0.00 43.02 42.91 1xcb s PHE 105 CO 0.47 -0.17 0.02 -2.00 0.70 0.00 0.00 175.22 174.24 1xcb s GLU 106 N 0.59 0.46 0.26 0.44 2.12 -0.96 -4.49 118.70 117.11 1xcb s GLU 106 Ca -0.09 0.06 -0.30 0.00 0.36 0.00 0.00 54.97 55.00 1xcb s GLU 106 Cb -0.13 -1.14 -0.10 0.00 0.26 0.00 0.00 34.13 33.03 1xcb s GLU 106 CO 0.01 -0.39 1.41 -0.51 -0.54 0.00 0.00 175.26 175.24 1xcb s LEU 107 N 2.00 4.39 -0.00 2.70 1.43 -1.26 -0.67 118.68 127.27 1xcb s LEU 107 Ca 0.04 2.65 0.01 0.00 -1.03 0.00 0.00 54.13 55.79 1xcb s LEU 107 Cb -0.13 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.47 1xcb s LEU 107 CO -0.06 -0.66 0.67 0.54 0.23 0.00 0.00 176.35 177.08 1xcb n ARG 108 N 2.09 0.45 -3.61 1.70 1.74 0.52 -4.83 116.66 114.72 1xcb n ARG 108 Ca 0.05 -0.79 -0.09 0.00 -0.77 0.00 0.00 57.85 56.25 1xcb n ARG 108 Cb 0.41 -0.60 -0.06 0.00 -1.02 0.00 0.00 32.46 31.18 1xcb n ARG 108 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xcb s GLY 109 N -0.40 -0.16 -0.26 -0.13 0.00 -1.17 -4.96 107.32 100.23 1xcb s GLY 109 Ca 0.01 2.48 -0.03 0.00 0.00 0.00 0.00 44.72 47.18 1xcb s GLY 109 CO 0.00 1.51 0.18 -1.36 0.00 0.00 0.00 173.10 173.44 1xcb s PHE 110 N -0.33 -0.00 -0.08 1.90 0.40 -1.26 -0.40 117.98 118.20 1xcb s PHE 110 Ca 0.02 -0.45 0.03 0.00 -0.60 0.00 0.00 56.93 55.93 1xcb s PHE 110 Cb -0.03 -0.67 -0.02 0.00 0.51 0.00 0.00 43.02 42.81 1xcb s PHE 110 CO -0.04 -0.78 -0.16 -0.06 0.70 0.00 0.00 175.22 174.88 1xcb s PHE 111 N 2.21 2.68 0.28 0.36 0.40 -0.21 0.45 117.98 124.15 1xcb s PHE 111 Ca 0.08 -0.48 -0.01 0.00 -0.60 0.00 0.00 56.93 55.92 1xcb s PHE 111 Cb -0.15 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.65 1xcb s PHE 111 CO -0.28 -0.06 0.31 0.34 0.70 0.00 0.00 175.22 176.22 1xcb s ASP 112 N -0.18 0.72 -0.00 1.36 -1.08 -0.44 -0.04 116.67 117.00 1xcb s ASP 112 Ca -0.01 -1.45 0.04 0.00 -0.52 0.00 0.00 52.55 50.61 1xcb s ASP 112 Cb -0.13 0.53 -0.06 0.00 -1.46 0.00 0.00 42.92 41.80 1xcb s ASP 112 CO 0.03 -1.06 0.13 0.55 0.52 0.00 0.00 175.17 175.35 1xcb n VAL 113 N -0.45 0.00 -1.72 1.11 3.14 -1.26 -2.80 118.33 116.34 1xcb n VAL 113 Ca 0.03 -0.24 -0.35 0.00 -2.96 0.00 0.00 64.34 60.81 1xcb n VAL 113 Cb 0.63 0.69 -0.03 0.00 -1.06 0.00 0.00 33.84 34.07 1xcb n VAL 113 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1xcb s ASP 114 N -1.97 4.68 0.41 6.55 -1.08 -1.26 -4.84 116.67 119.17 1xcb s ASP 114 Ca -0.00 0.75 0.25 0.00 -0.52 0.00 0.00 52.55 53.03 1xcb s ASP 114 Cb 0.03 -2.51 1.31 0.00 -1.46 0.00 0.00 42.92 40.29 1xcb s ASP 114 CO 0.18 -2.77 1.66 1.55 0.52 0.00 0.00 175.17 176.30 1xcb h PRO 115 N 17.62 0.17 0.00 4.34 0.13 -1.99 1.05 132.00 153.33 1xcb h PRO 115 Ca -0.23 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1xcb h PRO 115 Cb 1.22 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1xcb h PRO 115 CO 1.17 0.11 0.00 -1.91 -0.23 0.00 0.00 178.00 177.15 1xcb n GLU 116 N -4.74 0.94 0.00 0.86 4.07 -1.26 -2.86 120.64 117.65 1xcb n GLU 116 Ca 0.34 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.44 1xcb n GLU 116 Cb 1.25 -1.26 0.00 0.00 -0.06 0.00 0.00 31.44 31.36 1xcb n GLU 116 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1xcb n LYS 117 N -0.76 3.18 0.00 5.31 5.02 0.35 -4.78 118.16 126.47 1xcb n LYS 117 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1xcb n LYS 117 Cb 0.05 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 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 -1.89 0.85 -0.20 -0.18 0.31 -0.25 -1.15 118.33 115.82 1xcb n VAL 118 Ca 0.00 0.48 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 1xcb n VAL 118 Cb 0.40 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 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 -1.20 -0.67 3.71 2.92 0.00 -1.25 -3.90 105.19 104.79 1xcb n GLY 119 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1xcb n GLY 119 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xcb n ARG 120 N -0.10 2.38 -2.70 1.61 0.63 -0.30 -4.60 116.66 113.58 1xcb n ARG 120 Ca 0.00 0.85 -0.41 0.00 -0.92 0.00 0.00 57.85 57.37 1xcb n ARG 120 Cb 0.05 -2.57 -0.05 0.00 0.45 0.00 0.00 32.46 30.34 1xcb n ARG 120 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1xcb s PRO 121 N -0.42 4.76 0.08 -0.14 0.02 -1.26 0.27 135.00 138.31 1xcb s PRO 121 Ca 0.66 1.52 0.01 0.00 0.02 0.00 0.00 61.00 63.21 1xcb s PRO 121 Cb -0.57 -3.31 -0.04 0.00 0.02 0.00 0.00 34.50 30.60 1xcb s PRO 121 CO 0.49 0.34 -0.06 0.14 -0.33 0.00 0.00 177.00 177.57 1xcb s VAL 122 N -0.62 0.56 -0.58 3.83 -7.23 -1.07 -4.87 120.40 110.42 1xcb s VAL 122 Ca 0.44 -1.79 -0.09 0.00 -1.81 0.00 0.00 61.98 58.73 1xcb s VAL 122 Cb -0.26 -1.50 -0.18 0.00 0.56 0.00 0.00 36.38 35.00 1xcb s VAL 122 CO 0.32 -0.84 1.33 -1.14 -0.31 0.00 0.00 175.10 174.46 1xcb n ARG 123 N 0.19 0.00 0.00 4.82 0.63 -1.26 -3.17 116.66 117.87 1xcb n ARG 123 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 1xcb n ARG 123 Cb 0.60 -0.66 0.00 0.00 0.45 0.00 0.00 32.46 32.85 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 3.33 1.01 0.00 5.14 0.00 -1.26 -4.97 105.19 108.44 1xcb n GLY 124 Ca 0.39 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 -2.05 3.21 -0.02 0.00 -1.19 -5.09 105.19 100.05 1xcb n GLY 125 Ca 0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 0.02 0.30 1.61 -7.23 -1.26 -2.61 120.40 111.23 1xcb s VAL 126 Ca 0.00 -0.18 -0.30 0.00 -1.81 0.00 0.00 61.98 59.70 1xcb s VAL 126 Cb 0.00 -0.50 -0.12 0.00 0.56 0.00 0.00 36.38 36.32 1xcb s VAL 126 CO 0.00 -0.10 1.47 -0.38 -0.31 0.00 0.00 175.10 175.78 1xcb n ILE 127 N 2.34 1.31 -4.39 -0.62 5.41 0.14 -4.60 119.36 118.95 1xcb n ILE 127 Ca -0.16 -0.33 -0.18 0.00 1.00 0.00 0.00 62.75 63.09 1xcb n ILE 127 Cb 0.57 -1.75 -0.04 0.00 -0.71 0.00 0.00 39.64 37.71 1xcb n ILE 127 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1xcb n GLU 128 N 1.59 1.12 -3.60 0.38 1.02 0.17 -3.93 120.64 117.40 1xcb n GLU 128 Ca 0.08 -2.11 -0.24 0.00 -0.02 0.00 0.00 57.16 54.88 1xcb n GLU 128 Cb 0.35 0.73 -0.02 0.00 -0.02 0.00 0.00 31.44 32.49 1xcb n GLU 128 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1xcb s HIS 129 N -2.17 3.48 -1.74 -0.32 5.65 -1.26 -1.33 115.29 117.60 1xcb s HIS 129 Ca 0.04 0.24 0.20 0.00 0.25 0.00 0.00 55.06 55.79 1xcb s HIS 129 Cb 0.00 -1.80 1.12 0.00 -1.18 0.00 0.00 32.58 30.73 1xcb s HIS 129 CO 0.03 0.26 1.61 1.33 -0.65 0.00 0.00 174.74 177.32 1xcb n VAL 130 N -1.48 0.18 0.03 0.89 0.24 -1.12 -3.66 118.33 113.40 1xcb n VAL 130 Ca -0.06 0.05 -0.02 0.00 -2.04 0.00 0.00 64.34 62.26 1xcb n VAL 130 Cb 0.56 -0.72 -0.01 0.00 -1.47 0.00 0.00 33.84 32.20 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 -0.14 0.00 -1.34 3.45 -1.93 -3.30 116.42 113.15 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 0.08 0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 1xcb h ASP 131 CO 0.00 0.27 0.95 -0.07 -1.57 0.00 0.00 179.24 178.82 1xcb h LEU 132 N -0.90 0.00 -0.33 1.55 3.38 -1.99 -3.24 115.31 113.78 1xcb h LEU 132 Ca -0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1xcb h LEU 132 Cb 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1xcb h LEU 132 CO 0.03 0.00 -0.20 0.18 0.09 0.00 0.00 178.44 178.54 1xcb n LEU 133 N -2.45 -0.35 0.18 1.67 4.77 -1.25 -1.48 117.00 118.09 1xcb n LEU 133 Ca -0.00 1.06 0.01 0.00 -0.03 0.00 0.00 56.01 57.04 1xcb n LEU 133 Cb 0.95 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 41.76 1xcb n LEU 133 CO 0.01 -0.71 0.78 -0.65 -1.33 0.00 0.00 177.39 175.48 1xcb h PRO 134 N 0.00 0.00 0.00 3.23 0.11 -1.84 0.37 132.00 133.87 1xcb h PRO 134 Ca 0.05 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 1xcb h PRO 134 Cb 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1xcb h PRO 134 CO -0.31 0.00 -1.62 0.00 -0.21 0.00 0.00 178.00 175.86 1xcb n GLN 135 N -1.85 0.89 0.01 1.05 10.64 -0.55 -4.57 117.38 122.99 1xcb n GLN 135 Ca -0.00 -0.08 -0.04 0.00 -1.83 0.00 0.00 57.00 55.05 1xcb n GLN 135 Cb 0.74 -1.29 -0.11 0.00 -0.86 0.00 0.00 30.24 28.72 1xcb n GLN 135 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xcb h ARG 136 N 0.00 0.00 0.00 2.61 -0.00 -0.27 -3.43 114.38 113.29 1xcb h ARG 136 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.39 1xcb h ARG 136 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.86 1xcb h ARG 136 CO 0.00 0.40 0.00 0.28 0.00 0.00 0.00 179.97 180.65 1xcb n VAL 137 N -2.98 0.00 0.00 2.04 0.31 -0.44 -3.88 118.33 113.38 1xcb n VAL 137 Ca -0.13 0.67 0.00 0.00 -0.01 0.00 0.00 64.34 64.87 1xcb n VAL 137 Cb 0.94 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 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 -1.15 0.00 -0.06 5.55 -0.02 -1.25 -0.96 135.00 137.11 1xcb n PRO 138 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 1xcb n PRO 138 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.32 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 -0.94 -1.01 0.00 -1.23 0.00 -1.26 -4.75 105.19 96.00 1xcb n GLY 139 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1xcb n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xcb n ARG 140 N -2.61 1.11 -3.71 1.61 1.74 -0.13 -5.02 116.66 109.66 1xcb n ARG 140 Ca -0.22 -0.85 -0.30 0.00 -0.77 0.00 0.00 57.85 55.71 1xcb n ARG 140 Cb 0.95 -0.72 -0.15 0.00 -1.02 0.00 0.00 32.46 31.52 1xcb n ARG 140 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xcb s ILE 141 N -0.39 0.77 -0.13 0.55 1.01 -0.39 -3.83 121.20 118.78 1xcb s ILE 141 Ca 0.00 -1.34 -0.17 0.00 0.00 0.00 0.00 60.65 59.14 1xcb s ILE 141 Cb 0.00 -1.59 -0.25 0.00 0.01 0.00 0.00 42.46 40.63 1xcb s ILE 141 CO 0.00 -0.69 0.48 -0.33 0.00 0.00 0.00 174.94 174.40 1xcb h GLU 142 N 8.11 0.18 -6.31 2.79 3.07 -1.34 -3.43 114.58 117.65 1xcb h GLU 142 Ca -0.14 -0.30 -0.67 0.00 -0.50 0.00 0.00 59.36 57.74 1xcb h GLU 142 Cb 1.01 0.11 -0.17 0.00 -0.84 0.00 0.00 28.75 28.86 1xcb h GLU 142 CO 0.47 1.14 -0.71 0.42 -1.40 0.00 0.00 179.01 178.94 1xcb s ILE 143 N -2.44 3.62 -0.04 3.13 -1.09 -1.02 -1.13 121.20 122.21 1xcb s ILE 143 Ca -0.22 -0.82 0.03 0.00 -2.23 0.00 0.00 60.65 57.41 1xcb s ILE 143 Cb 0.04 -2.58 0.01 0.00 -1.58 0.00 0.00 42.46 38.35 1xcb s ILE 143 CO 0.72 0.37 -0.11 0.00 -1.23 0.00 0.00 174.94 174.70 1xcb s ALA 144 N -1.01 1.07 -0.34 9.38 0.00 -1.06 -2.46 121.76 127.33 1xcb s ALA 144 Ca 0.17 -0.38 -0.19 0.00 0.00 0.00 0.00 51.96 51.57 1xcb s ALA 144 Cb -0.11 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 1xcb s ALA 144 CO 0.08 0.14 0.57 -0.51 0.00 0.00 0.00 175.76 176.04 1xcb s LEU 145 N 0.41 4.28 -0.56 0.00 1.43 0.11 -1.61 118.68 122.74 1xcb s LEU 145 Ca -0.08 0.11 -0.21 0.00 -1.03 0.00 0.00 54.13 52.92 1xcb s LEU 145 Cb -0.12 -2.69 0.06 0.00 0.03 0.00 0.00 46.19 43.48 1xcb s LEU 145 CO 0.02 -0.51 0.77 -0.22 0.23 0.00 0.00 176.35 176.63 1xcb s LEU 146 N 2.53 4.75 -0.36 1.79 2.96 -0.75 -0.80 118.68 128.79 1xcb s LEU 146 Ca 0.22 -0.89 0.07 0.00 -0.22 0.00 0.00 54.13 53.31 1xcb s LEU 146 Cb -0.15 -2.50 0.44 0.00 0.50 0.00 0.00 46.19 44.48 1xcb s LEU 146 CO 0.14 -1.10 1.14 0.35 -1.32 0.00 0.00 176.35 175.56 1xcb n THR 147 N 5.79 2.34 -3.52 3.68 -2.24 -0.39 -2.20 114.28 117.74 1xcb n THR 147 Ca -0.05 -4.46 -0.21 0.00 -2.27 0.00 0.00 64.05 57.06 1xcb n THR 147 Cb 0.45 -1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 67.64 1xcb n THR 147 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1xcb s VAL 148 N -4.96 2.45 0.79 2.28 -7.23 -1.23 -4.52 120.40 107.99 1xcb s VAL 148 Ca 0.48 -1.30 -0.10 0.00 -1.81 0.00 0.00 61.98 59.24 1xcb s VAL 148 Cb 0.40 -2.75 0.07 0.00 0.56 0.00 0.00 36.38 34.66 1xcb s VAL 148 CO -0.07 0.00 1.10 -2.84 -0.31 0.00 0.00 175.10 172.97 1xcb s PRO 149 N -4.23 2.07 0.51 4.82 0.02 -1.26 -4.61 135.00 132.31 1xcb s PRO 149 Ca 0.48 1.20 0.21 0.00 0.02 0.00 0.00 61.00 62.90 1xcb s PRO 149 Cb -0.04 -1.87 1.33 0.00 0.02 0.00 0.00 34.50 33.94 1xcb s PRO 149 CO 0.28 -1.79 2.10 0.07 -0.33 0.00 0.00 177.00 177.33 1xcb h ARG 150 N -1.24 0.00 -0.35 5.54 0.11 -1.96 0.12 114.38 116.61 1xcb h ARG 150 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 1xcb h ARG 150 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1xcb h ARG 150 CO 0.50 0.10 0.00 0.39 0.10 0.00 0.00 179.97 181.06 1xcb n GLU 151 N -4.10 0.99 0.00 0.08 -0.58 -1.26 -2.73 120.64 113.04 1xcb n GLU 151 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1xcb n GLU 151 Cb 0.18 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 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 -0.32 0.00 0.03 0.62 0.00 -0.51 -4.87 120.51 115.45 1xcb n ALA 152 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1xcb n ALA 152 Cb 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.67 0.32 0.00 0.00 -0.60 0.50 119.26 118.81 1xcb h ALA 153 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1xcb h ALA 153 Cb 0.00 0.80 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1xcb h ALA 153 CO 0.00 -0.96 -0.19 0.37 0.00 0.00 0.00 179.25 178.46 1xcb h GLN 154 N -0.54 -0.46 0.00 0.00 5.75 -1.87 0.14 115.11 118.11 1xcb h GLN 154 Ca 0.06 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1xcb h GLN 154 Cb 0.65 0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.31 1xcb h GLN 154 CO -0.37 -0.31 0.67 0.87 -2.65 0.00 0.00 178.83 177.05 1xcb h LYS 155 N -0.48 0.00 0.01 1.69 1.57 -1.86 0.52 116.57 118.02 1xcb h LYS 155 Ca -0.04 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.39 1xcb h LYS 155 Cb 0.38 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 1xcb h LYS 155 CO 0.05 0.00 -2.18 0.00 -0.57 0.00 0.00 179.45 176.74 1xcb n ALA 156 N -1.59 1.45 0.08 3.86 0.00 0.17 -3.94 120.51 120.53 1xcb n ALA 156 Ca -0.01 -1.10 -0.13 0.00 0.00 0.00 0.00 53.44 52.21 1xcb n ALA 156 Cb 0.69 -0.39 -0.08 0.00 0.00 0.00 0.00 19.45 19.67 1xcb n ALA 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xcb h ALA 157 N 0.81 -0.14 -0.50 0.00 0.00 0.28 -2.97 119.26 116.73 1xcb h ALA 157 Ca -0.47 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.43 1xcb h ALA 157 Cb 2.12 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 19.87 1xcb h ALA 157 CO 0.03 -0.50 -0.36 -0.44 0.00 0.00 0.00 179.25 177.98 1xcb h ASP 158 N -0.29 -1.23 -0.88 0.00 5.19 -1.59 0.58 116.42 118.19 1xcb h ASP 158 Ca -0.01 0.22 0.26 0.00 -0.62 0.00 0.00 57.03 56.87 1xcb h ASP 158 Cb 0.24 0.58 -0.04 0.00 0.18 0.00 0.00 39.33 40.30 1xcb h ASP 158 CO 0.02 -0.33 0.66 -0.07 -3.12 0.00 0.00 179.24 176.41 1xcb h LEU 159 N -0.23 0.00 0.09 1.55 -0.00 -1.66 -1.26 115.31 113.80 1xcb h LEU 159 Ca 0.19 0.00 -0.28 0.00 -0.00 0.00 0.00 57.88 57.79 1xcb h LEU 159 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.20 1xcb h LEU 159 CO -0.62 0.00 -1.45 -0.07 -0.00 0.00 0.00 178.44 176.30 1xcb h LEU 160 N 0.00 0.30 -2.31 1.67 3.38 0.05 -3.29 115.31 115.11 1xcb h LEU 160 Ca 0.42 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1xcb h LEU 160 Cb 1.73 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1xcb h LEU 160 CO -0.00 1.62 0.00 1.33 0.09 0.00 0.00 178.44 181.48 1xcb n VAL 161 N -3.96 1.07 -2.08 1.22 0.24 0.14 -1.25 118.33 113.71 1xcb n VAL 161 Ca -0.27 -0.11 -0.05 0.00 -2.04 0.00 0.00 64.34 61.86 1xcb n VAL 161 Cb 0.87 -1.06 -0.05 0.00 -1.47 0.00 0.00 33.84 32.13 1xcb n VAL 161 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xcb n ALA 162 N 0.85 3.47 -1.13 2.33 0.00 -0.83 -4.85 120.51 120.34 1xcb n ALA 162 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1xcb n ALA 162 Cb 0.42 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 0.08 0.00 -0.17 0.00 0.00 -0.38 -4.94 120.51 115.11 1xcb n ALA 163 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1xcb n ALA 163 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 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 0.00 1.81 3.80 0.00 0.00 -1.22 -3.84 105.19 105.74 1xcb n GLY 164 Ca 0.00 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 4.44 -0.21 -0.61 1.10 -1.13 -4.61 121.20 118.19 1xcb s ILE 165 Ca 0.00 1.49 -0.02 0.00 -0.51 0.00 0.00 60.65 61.61 1xcb s ILE 165 Cb 0.00 -3.94 -0.12 0.00 0.15 0.00 0.00 42.46 38.54 1xcb s ILE 165 CO 0.00 0.24 -0.21 0.29 -2.11 0.00 0.00 174.94 173.16 1xcb n LYS 166 N 0.83 0.50 -4.40 3.50 5.02 -0.67 -4.83 118.16 118.10 1xcb n LYS 166 Ca -0.02 0.14 -0.20 0.00 -2.02 0.00 0.00 58.31 56.21 1xcb n LYS 166 Cb 0.50 -1.37 -0.10 0.00 -0.02 0.00 0.00 35.03 34.04 1xcb n LYS 166 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1xcb s GLY 167 N -5.82 1.68 -0.08 0.72 0.00 -0.28 0.17 107.32 103.71 1xcb s GLY 167 Ca -0.28 -1.81 -0.03 0.00 0.00 0.00 0.00 44.72 42.60 1xcb s GLY 167 CO 0.45 -1.81 0.17 -0.42 0.00 0.00 0.00 173.10 171.48 1xcb s ILE 168 N -2.97 -0.13 -0.77 0.90 -1.09 0.25 -2.57 121.20 114.81 1xcb s ILE 168 Ca 0.27 0.23 -0.12 0.00 -2.23 0.00 0.00 60.65 58.80 1xcb s ILE 168 Cb 0.02 -0.29 0.20 0.00 -1.58 0.00 0.00 42.46 40.81 1xcb s ILE 168 CO 0.10 0.10 0.69 -0.76 -1.23 0.00 0.00 174.94 173.83 1xcb s LEU 169 N 1.58 6.41 -0.08 2.97 1.43 -0.63 -0.90 118.68 129.46 1xcb s LEU 169 Ca -0.05 -2.69 -0.30 0.00 -1.03 0.00 0.00 54.13 50.06 1xcb s LEU 169 Cb -0.12 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 1xcb s LEU 169 CO -0.06 -0.54 1.10 0.21 0.23 0.00 0.00 176.35 177.28 1xcb s ASN 170 N 1.90 7.16 -0.02 2.29 2.47 -0.97 -1.81 114.94 125.96 1xcb s ASN 170 Ca 0.17 1.66 0.12 0.00 0.42 0.00 0.00 52.86 55.24 1xcb s ASN 170 Cb -0.13 -2.56 -0.18 0.00 -1.45 0.00 0.00 41.25 36.93 1xcb s ASN 170 CO -0.07 -0.51 0.28 0.49 -3.72 0.00 0.00 177.10 173.57 1xcb n PHE 171 N 5.07 0.00 -1.85 0.43 3.01 -0.93 -1.52 117.46 121.67 1xcb n PHE 171 Ca 0.10 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.15 1xcb n PHE 171 Cb 0.48 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 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 -2.78 3.44 0.00 4.37 0.00 -1.25 -4.84 121.76 120.71 1xcb s ALA 172 Ca -0.04 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1xcb s ALA 172 Cb 0.08 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1xcb s ALA 172 CO 0.50 -1.04 0.91 -0.35 0.00 0.00 0.00 175.76 175.78 1xcb n PRO 173 N 0.26 0.57 -3.89 0.00 -0.04 -1.26 -4.74 135.00 125.90 1xcb n PRO 173 Ca 0.02 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 1xcb n PRO 173 Cb 0.41 -1.21 -0.11 0.00 -0.04 0.00 0.00 33.50 32.55 1xcb n PRO 173 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xcb s VAL 174 N 0.68 0.08 -0.15 0.52 -7.23 -1.26 -5.05 120.40 108.00 1xcb s VAL 174 Ca 0.00 -0.65 -0.29 0.00 -1.81 0.00 0.00 61.98 59.23 1xcb s VAL 174 Cb 0.00 -0.36 -0.01 0.00 0.56 0.00 0.00 36.38 36.58 1xcb s VAL 174 CO 0.00 -0.36 1.00 0.54 -0.31 0.00 0.00 175.10 175.97 1xcb s VAL 175 N -1.21 4.76 0.43 1.32 0.11 -1.26 -5.00 120.40 119.56 1xcb s VAL 175 Ca -0.13 2.00 -0.13 0.00 -2.93 0.00 0.00 61.98 60.79 1xcb s VAL 175 Cb -0.07 -4.29 -0.07 0.00 -1.53 0.00 0.00 36.38 30.41 1xcb s VAL 175 CO 0.01 -0.05 0.83 -0.76 -3.33 0.00 0.00 175.10 171.81 1xcb s LEU 176 N 2.36 3.79 -0.35 2.54 1.43 -1.26 -4.99 118.68 122.20 1xcb s LEU 176 Ca 0.46 1.28 -0.05 0.00 -1.03 0.00 0.00 54.13 54.79 1xcb s LEU 176 Cb -0.17 -4.17 0.06 0.00 0.03 0.00 0.00 46.19 41.93 1xcb s LEU 176 CO 0.14 -0.44 0.10 -1.61 0.23 0.00 0.00 176.35 174.77 1xcb s GLU 177 N -3.84 2.47 0.01 1.70 8.01 -1.26 -5.09 118.70 120.70 1xcb s GLU 177 Ca 0.54 -1.33 0.00 0.00 0.01 0.00 0.00 54.97 54.19 1xcb s GLU 177 Cb -0.10 -3.43 -0.01 0.00 -4.31 0.00 0.00 34.13 26.28 1xcb s GLU 177 CO 0.30 -0.74 -0.02 0.14 0.01 0.00 0.00 175.26 174.95 1xcb s VAL 178 N 1.32 0.08 -0.17 2.63 -7.23 -1.26 -4.82 120.40 110.96 1xcb s VAL 178 Ca -0.01 -0.44 -0.42 0.00 -1.81 0.00 0.00 61.98 59.31 1xcb s VAL 178 Cb -0.20 -0.15 -0.19 0.00 0.56 0.00 0.00 36.38 36.39 1xcb s VAL 178 CO 0.01 -0.22 1.33 -2.65 -0.31 0.00 0.00 175.10 173.25 1xcb n PRO 179 N 2.38 0.25 -0.67 4.82 -0.02 -1.26 -4.76 135.00 135.74 1xcb n PRO 179 Ca -0.18 0.09 0.51 0.00 -2.02 0.00 0.00 63.50 61.90 1xcb n PRO 179 Cb 0.58 -1.62 0.79 0.00 -0.02 0.00 0.00 33.50 33.22 1xcb n PRO 179 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1xcb n LYS 180 N 2.74 -0.00 0.00 -0.52 0.00 -1.26 0.12 118.16 119.24 1xcb n LYS 180 Ca 0.24 1.07 0.00 0.00 -0.00 0.00 0.00 58.31 59.62 1xcb n LYS 180 Cb 0.06 -2.44 0.00 0.00 -0.00 0.00 0.00 35.03 32.65 1xcb n LYS 180 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1xcb n GLU 181 N -3.96 0.90 -4.92 -1.58 0.00 -1.26 -4.68 120.64 105.14 1xcb n GLU 181 Ca 0.43 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 57.30 1xcb n GLU 181 Cb 1.92 -1.07 -0.17 0.00 0.00 0.00 0.00 31.44 32.12 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 -1.83 1.67 -0.06 3.84 1.01 0.33 -4.89 120.40 120.46 1xcb s VAL 182 Ca 0.00 -0.79 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 1xcb s VAL 182 Cb 0.00 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1xcb s VAL 182 CO 0.00 0.47 0.68 0.00 0.00 0.00 0.00 175.10 176.25 1xcb s ALA 183 N 0.52 3.35 -0.05 5.51 0.00 0.13 -4.82 121.76 126.40 1xcb s ALA 183 Ca -0.16 0.11 0.06 0.00 0.00 0.00 0.00 51.96 51.97 1xcb s ALA 183 Cb -0.17 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 1xcb s ALA 183 CO 0.06 -0.08 -0.25 0.08 0.00 0.00 0.00 175.76 175.58 1xcb s VAL 184 N 0.71 2.08 -0.24 0.00 1.01 -1.26 0.84 120.40 123.53 1xcb s VAL 184 Ca 0.36 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 1xcb s VAL 184 Cb -0.18 -1.74 0.09 0.00 0.00 0.00 0.00 36.38 34.55 1xcb s VAL 184 CO 0.18 0.57 0.15 -0.70 0.00 0.00 0.00 175.10 175.30 1xcb s GLU 185 N -0.25 0.17 0.65 2.72 2.56 -0.08 -4.95 118.70 119.52 1xcb s GLU 185 Ca -0.01 -0.25 -0.15 0.00 0.00 0.00 0.00 54.97 54.56 1xcb s GLU 185 Cb -0.13 -1.31 -0.01 0.00 2.00 0.00 0.00 34.13 34.68 1xcb s GLU 185 CO 0.03 -0.87 1.09 -0.80 -0.56 0.00 0.00 175.26 174.15 1xcb s ASN 186 N 2.17 5.29 -0.24 -1.70 0.01 -1.26 -2.30 114.94 116.92 1xcb s ASN 186 Ca 0.07 1.92 -0.12 0.00 -0.71 0.00 0.00 52.86 54.03 1xcb s ASN 186 Cb -0.16 -2.54 0.08 0.00 0.41 0.00 0.00 41.25 39.04 1xcb s ASN 186 CO -0.25 -1.50 0.56 0.68 -1.51 0.00 0.00 177.10 175.08 1xcb s VAL 187 N -2.42 -0.28 0.10 1.60 -7.23 -0.58 -4.88 120.40 106.71 1xcb s VAL 187 Ca 0.65 0.05 -0.14 0.00 -1.81 0.00 0.00 61.98 60.74 1xcb s VAL 187 Cb -0.19 -0.84 0.02 0.00 0.56 0.00 0.00 36.38 35.94 1xcb s VAL 187 CO 0.41 0.02 0.33 1.51 -0.31 0.00 0.00 175.10 177.07 1xcb s ASP 188 N 1.94 -0.13 0.28 4.85 -4.77 -1.26 -4.54 116.67 113.04 1xcb s ASP 188 Ca -0.08 -0.37 0.07 0.00 -3.30 0.00 0.00 52.55 48.87 1xcb s ASP 188 Cb -0.08 0.42 0.38 0.00 -1.09 0.00 0.00 42.92 42.55 1xcb s ASP 188 CO -0.17 -0.78 1.64 2.19 0.70 0.00 0.00 175.17 178.75 1xcb h PHE 189 N 2.60 0.19 -0.81 2.11 -5.15 -2.02 -3.33 116.94 110.54 1xcb h PHE 189 Ca -0.34 -0.06 0.33 0.00 -0.20 0.00 0.00 57.97 57.71 1xcb h PHE 189 Cb 1.23 -0.04 -0.14 0.00 0.22 0.00 0.00 35.95 37.22 1xcb h PHE 189 CO 0.37 0.65 0.45 1.28 -2.00 0.00 0.00 178.31 179.06 1xcb n LEU 190 N -3.92 0.27 0.02 2.10 4.77 -1.26 0.94 117.00 119.91 1xcb n LEU 190 Ca -0.02 1.29 -0.11 0.00 -0.03 0.00 0.00 56.01 57.14 1xcb n LEU 190 Cb 0.56 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1xcb n LEU 190 CO 0.42 -1.45 0.87 0.00 -1.33 0.00 0.00 177.39 175.91 1xcb h ALA 191 N 1.55 0.04 -0.80 -1.18 0.00 -2.02 -2.84 119.26 114.02 1xcb h ALA 191 Ca 0.67 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.61 1xcb h ALA 191 Cb 1.81 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.57 1xcb h ALA 191 CO -0.59 -0.48 0.53 0.78 0.00 0.00 0.00 179.25 179.49 1xcb h GLY 192 N 0.02 1.14 2.00 0.00 0.00 0.31 -2.23 103.07 104.31 1xcb h GLY 192 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1xcb h GLY 192 CO -0.03 0.39 0.00 -2.00 0.00 0.00 0.00 176.54 174.90 1xcb h LEU 193 N 1.07 0.00 0.00 3.11 5.85 -1.24 -0.26 115.31 123.83 1xcb h LEU 193 Ca 0.30 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.86 1xcb h LEU 193 Cb -0.09 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1xcb h LEU 193 CO -0.08 0.00 -1.51 0.41 -0.34 0.00 0.00 178.44 176.92 1xcb n THR 194 N -3.06 1.11 0.03 1.05 -1.04 -0.87 -2.63 114.28 108.88 1xcb n THR 194 Ca -0.02 -0.69 -0.10 0.00 -2.04 0.00 0.00 64.05 61.21 1xcb n THR 194 Cb 0.16 -0.66 0.04 0.00 -1.82 0.00 0.00 70.33 68.05 1xcb n THR 194 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1xcb h ARG 195 N 0.00 0.47 0.04 -2.82 3.08 -0.96 -2.13 114.38 112.06 1xcb h ARG 195 Ca -0.18 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.53 1xcb h ARG 195 Cb 1.58 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.69 1xcb h ARG 195 CO 0.04 0.97 -0.02 1.25 -1.07 0.00 0.00 179.97 181.14 1xcb h LEU 196 N 0.34 -0.04 -0.36 3.04 6.46 -1.15 -1.32 115.31 122.27 1xcb h LEU 196 Ca -0.02 -0.15 0.08 0.00 -0.12 0.00 0.00 57.88 57.67 1xcb h LEU 196 Cb 1.21 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 41.07 1xcb h LEU 196 CO 0.12 0.12 -0.31 -1.28 -0.62 0.00 0.00 178.44 176.47 1xcb h SER 197 N -0.20 -1.02 -0.48 1.25 0.87 -1.41 -0.76 113.55 111.80 1xcb h SER 197 Ca -0.01 0.18 0.06 0.00 -1.23 0.00 0.00 61.79 60.79 1xcb h SER 197 Cb 0.18 0.48 -0.05 0.00 -0.44 0.00 0.00 62.40 62.57 1xcb h SER 197 CO 0.01 -0.31 0.19 0.15 -0.53 0.00 0.00 176.83 176.33 1xcb h PHE 198 N -0.26 0.34 -0.73 2.24 3.57 -1.18 -2.53 116.94 118.40 1xcb h PHE 198 Ca 0.17 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1xcb h PHE 198 Cb 0.53 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1xcb h PHE 198 CO -0.51 0.13 0.34 0.00 -2.23 0.00 0.00 178.31 176.05 1xcb h ALA 199 N 1.30 0.94 -0.82 2.41 0.00 -0.57 -0.99 119.26 121.53 1xcb h ALA 199 Ca 0.23 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1xcb h ALA 199 Cb 0.21 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1xcb h ALA 199 CO -0.21 0.51 0.54 0.82 0.00 0.00 0.00 179.25 180.91 1xcb h ILE 200 N 1.02 1.08 0.00 0.00 2.04 -0.84 -1.84 117.51 118.98 1xcb h ILE 200 Ca 0.25 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1xcb h ILE 200 Cb 0.13 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1xcb h ILE 200 CO -0.03 0.17 -0.20 -0.07 0.00 0.00 0.00 178.15 178.02 1xcb h LEU 201 N 0.95 0.00 -6.61 1.44 3.38 -0.99 -3.38 115.31 110.10 1xcb h LEU 201 Ca 0.34 -0.04 -0.60 0.00 0.09 0.00 0.00 57.88 57.67 1xcb h LEU 201 Cb 0.15 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.49 1xcb h LEU 201 CO -0.12 0.02 -0.70 0.59 0.09 0.00 0.00 178.44 178.33 1xcb n ASN 202 N -2.51 2.35 -0.16 -0.43 3.02 -0.44 -4.95 115.26 112.14 1xcb n ASN 202 Ca 0.04 -3.08 -0.04 0.00 -0.03 0.00 0.00 54.58 51.47 1xcb n ASN 202 Cb 0.47 -0.69 0.06 0.00 -0.61 0.00 0.00 39.78 39.01 1xcb n ASN 202 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1xcb h PRO 203 N 4.96 0.41 -0.18 3.52 0.11 -1.74 -0.44 132.00 138.63 1xcb h PRO 203 Ca 0.18 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.12 1xcb h PRO 203 Cb 0.77 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 1xcb h PRO 203 CO 0.67 0.27 -0.47 -0.22 -0.21 0.00 0.00 178.00 178.04 1xcb h LYS 204 N 0.42 0.47 0.78 1.05 3.64 -1.92 -3.19 116.57 117.82 1xcb h LYS 204 Ca 0.23 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1xcb h LYS 204 Cb 0.19 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1xcb h LYS 204 CO -0.20 0.84 -0.37 2.35 -2.27 0.00 0.00 179.45 179.80 1xcb h TRP 205 N 0.38 -0.97 0.00 1.91 7.01 -1.84 -3.32 115.95 119.11 1xcb h TRP 205 Ca 0.02 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1xcb h TRP 205 Cb 0.97 0.32 0.00 0.00 -2.10 0.00 0.00 29.16 28.35 1xcb h TRP 205 CO 0.03 -0.60 0.00 -2.13 -2.79 0.00 0.00 178.44 172.95 1xcb n ARG 206 N -5.25 0.00 0.00 2.65 0.63 -0.21 -5.14 116.66 109.34 1xcb n ARG 206 Ca -0.13 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 1xcb n ARG 206 Cb 0.41 -0.29 0.00 0.00 0.45 0.00 0.00 32.46 33.03 1xcb n ARG 206 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51