#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 3.99 0.60 3.15 1.01 -1.26 -5.02 120.40 122.87 1xcb s VAL 3 Ca 0.00 1.68 -0.18 0.00 0.00 0.00 0.00 61.98 63.48 1xcb s VAL 3 Cb 0.00 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1xcb s VAL 3 CO 0.00 0.27 1.15 -2.84 0.00 0.00 0.00 175.10 173.68 1xcb s PRO 4 N -0.19 3.03 0.28 2.72 0.02 -1.26 -4.93 135.00 134.67 1xcb s PRO 4 Ca 0.50 1.64 -0.02 0.00 0.02 0.00 0.00 61.00 63.13 1xcb s PRO 4 Cb -0.28 -1.96 0.40 0.00 0.02 0.00 0.00 34.50 32.68 1xcb s PRO 4 CO 0.34 -1.12 1.88 0.93 -0.33 0.00 0.00 177.00 178.70 1xcb h GLU 5 N 0.74 0.97 0.00 5.54 4.39 -2.01 -1.78 114.58 122.42 1xcb h GLU 5 Ca -0.49 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.04 1xcb h GLU 5 Cb 1.27 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1xcb h GLU 5 CO 0.55 0.76 -0.15 0.00 -1.16 0.00 0.00 179.01 179.01 1xcb h ALA 6 N 1.39 1.55 -0.35 3.43 0.00 -2.00 -2.82 119.26 120.45 1xcb h ALA 6 Ca 0.24 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1xcb h ALA 6 Cb 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1xcb h ALA 6 CO -0.03 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1xcb h ALA 7 N 1.85 0.47 -0.05 0.00 0.00 -1.69 -1.73 119.26 118.12 1xcb h ALA 7 Ca -0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1xcb h ALA 7 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xcb h ALA 7 CO 0.02 0.24 -0.26 0.82 0.00 0.00 0.00 179.25 180.07 1xcb h ILE 8 N 0.43 1.21 -0.03 0.00 5.03 -1.46 -0.83 117.51 121.86 1xcb h ILE 8 Ca 0.10 -0.98 -0.17 0.00 -0.12 0.00 0.00 64.86 63.70 1xcb h ILE 8 Cb 0.45 1.46 -0.01 0.00 -3.03 0.00 0.00 36.82 35.69 1xcb h ILE 8 CO 0.02 0.29 -0.73 0.28 -0.68 0.00 0.00 178.15 177.32 1xcb h SER 9 N 0.08 0.22 -0.14 1.72 0.02 -1.32 -1.06 113.55 113.06 1xcb h SER 9 Ca 0.01 -0.15 -0.18 0.00 -0.84 0.00 0.00 61.79 60.63 1xcb h SER 9 Cb 0.50 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.98 1xcb h SER 9 CO 0.04 0.87 -0.62 0.03 -1.14 0.00 0.00 176.83 176.01 1xcb h ARG 10 N 0.12 0.66 -0.28 3.45 3.08 -0.90 -2.50 114.38 118.02 1xcb h ARG 10 Ca -0.02 -0.53 0.05 0.00 0.07 0.00 0.00 59.98 59.55 1xcb h ARG 10 Cb 1.29 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 31.40 1xcb h ARG 10 CO 0.11 1.15 -0.06 -0.07 -1.07 0.00 0.00 179.97 180.03 1xcb h LEU 11 N 0.33 -0.23 -1.74 3.04 4.07 -1.07 0.33 115.31 120.04 1xcb h LEU 11 Ca -0.04 0.08 0.18 0.00 0.08 0.00 0.00 57.88 58.18 1xcb h LEU 11 Cb 1.26 0.16 -0.04 0.00 1.08 0.00 0.00 40.66 43.12 1xcb h LEU 11 CO 0.13 -0.08 0.51 0.40 -1.08 0.00 0.00 178.44 178.32 1xcb h ILE 12 N 0.01 0.72 0.05 1.22 2.04 -1.10 -1.26 117.51 119.19 1xcb h ILE 12 Ca 0.13 -0.08 -0.23 0.00 1.00 0.00 0.00 64.86 65.68 1xcb h ILE 12 Cb 0.20 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1xcb h ILE 12 CO -0.27 0.04 -1.04 0.74 0.00 0.00 0.00 178.15 177.62 1xcb h THR 13 N 0.24 1.49 -0.29 -0.27 2.02 0.01 -2.92 112.91 113.20 1xcb h THR 13 Ca 0.37 -2.81 -0.03 0.00 0.77 0.00 0.00 66.41 64.70 1xcb h THR 13 Cb 1.09 2.67 -0.01 0.00 -1.74 0.00 0.00 68.15 70.15 1xcb h THR 13 CO -0.08 0.82 0.05 1.88 0.37 0.00 0.00 175.52 178.56 1xcb h TYR 14 N 0.11 0.51 -0.20 3.16 0.05 0.16 -1.02 116.97 119.74 1xcb h TYR 14 Ca -0.08 -0.07 0.04 0.00 0.05 0.00 0.00 58.73 58.67 1xcb h TYR 14 Cb 1.72 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 39.28 1xcb h TYR 14 CO 0.05 0.57 -0.04 1.25 -1.05 0.00 0.00 178.16 178.94 1xcb h LEU 15 N 0.30 -0.16 -1.19 3.88 5.85 -1.45 0.41 115.31 122.94 1xcb h LEU 15 Ca 0.09 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1xcb h LEU 15 Cb 0.34 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1xcb h LEU 15 CO 0.01 -0.05 0.56 -0.09 -0.34 0.00 0.00 178.44 178.52 1xcb h ARG 16 N 0.02 0.99 0.00 1.25 2.43 -1.40 0.10 114.38 117.78 1xcb h ARG 16 Ca 0.10 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1xcb h ARG 16 Cb 0.14 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1xcb h ARG 16 CO -0.20 0.66 0.00 0.82 -1.51 0.00 0.00 179.97 179.74 1xcb h ILE 17 N 1.02 0.00 0.03 1.20 2.04 0.46 -2.86 117.51 119.41 1xcb h ILE 17 Ca 0.35 -0.49 -0.26 0.00 1.00 0.00 0.00 64.86 65.46 1xcb h ILE 17 Cb 0.10 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1xcb h ILE 17 CO -0.11 0.00 -1.33 -0.07 0.00 0.00 0.00 178.15 176.64 1xcb h LEU 18 N 0.00 0.11 -0.23 1.44 3.38 0.23 -2.75 115.31 117.49 1xcb h LEU 18 Ca 0.00 -0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.65 1xcb h LEU 18 Cb 0.53 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1xcb h LEU 18 CO 0.00 1.13 -0.82 -0.33 0.09 0.00 0.00 178.44 178.51 1xcb h GLU 19 N 0.02 0.00 -0.33 1.13 5.08 -1.34 -0.03 114.58 119.11 1xcb h GLU 19 Ca -0.15 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 1xcb h GLU 19 Cb 1.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.14 1xcb h GLU 19 CO 0.13 0.82 -0.29 1.49 -1.00 0.00 0.00 179.01 180.15 1xcb h GLU 20 N 0.00 0.69 -0.35 2.33 4.57 -1.58 -1.47 114.58 118.77 1xcb h GLU 20 Ca -0.01 -0.30 -0.13 0.00 -1.18 0.00 0.00 59.36 57.74 1xcb h GLU 20 Cb 1.52 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.08 1xcb h GLU 20 CO 0.11 0.90 -0.30 -0.07 -1.18 0.00 0.00 179.01 178.47 1xcb h LEU 21 N 0.59 0.87 0.00 1.64 4.07 -1.18 -2.33 115.31 118.97 1xcb h LEU 21 Ca 0.07 -0.45 0.00 0.00 0.08 0.00 0.00 57.88 57.58 1xcb h LEU 21 Cb 0.80 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.29 1xcb h LEU 21 CO 0.07 1.14 0.00 1.21 -1.08 0.00 0.00 178.44 179.78 1xcb n GLU 22 N -4.18 0.25 0.02 1.13 2.13 -0.05 -1.25 120.64 118.68 1xcb n GLU 22 Ca -0.03 0.12 0.12 0.00 0.66 0.00 0.00 57.16 58.03 1xcb n GLU 22 Cb 0.49 -1.50 0.13 0.00 0.27 0.00 0.00 31.44 30.82 1xcb n GLU 22 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xcb n ALA 23 N -1.27 3.55 -0.93 4.31 0.00 -0.58 -3.85 120.51 121.73 1xcb n ALA 23 Ca 0.08 -0.38 0.09 0.00 0.00 0.00 0.00 53.44 53.23 1xcb n ALA 23 Cb 0.13 -1.04 0.20 0.00 0.00 0.00 0.00 19.45 18.74 1xcb n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xcb n GLN 24 N -1.74 2.36 -1.11 0.00 6.02 -0.38 -4.95 117.38 117.58 1xcb n GLN 24 Ca 0.04 -2.65 -0.04 0.00 -0.01 0.00 0.00 57.00 54.34 1xcb n GLN 24 Cb 0.38 -1.66 -0.02 0.00 1.02 0.00 0.00 30.24 29.97 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 -0.77 0.55 3.71 1.08 0.00 -1.20 -4.97 105.19 103.60 1xcb n GLY 25 Ca 0.18 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.73 4.02 -0.25 1.61 1.01 -1.00 -4.97 120.40 119.09 1xcb s VAL 26 Ca 0.00 1.46 -0.08 0.00 0.00 0.00 0.00 61.98 63.36 1xcb s VAL 26 Cb 0.00 -3.94 -0.12 0.00 0.00 0.00 0.00 36.38 32.32 1xcb s VAL 26 CO 0.00 0.12 -0.30 1.57 0.00 0.00 0.00 175.10 176.49 1xcb n HIS 27 N 3.85 0.00 -4.53 5.22 -0.00 -1.26 -4.36 115.22 114.13 1xcb n HIS 27 Ca 0.09 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.99 1xcb n HIS 27 Cb 0.46 -0.92 -0.13 0.00 -0.12 0.00 0.00 29.99 29.28 1xcb n HIS 27 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1xcb s ARG 28 N -2.47 1.43 0.00 1.57 1.70 -1.26 0.39 118.95 120.31 1xcb s ARG 28 Ca -0.35 -1.18 0.00 0.00 -0.47 0.00 0.00 55.73 53.73 1xcb s ARG 28 Cb 0.12 -1.74 0.00 0.00 -0.57 0.00 0.00 34.95 32.76 1xcb s ARG 28 CO 0.48 0.43 0.00 -2.37 -1.08 0.00 0.00 175.30 172.76 1xcb n THR 29 N 1.31 0.00 -3.94 4.99 5.66 -0.08 -4.82 114.28 117.40 1xcb n THR 29 Ca -0.18 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.71 1xcb n THR 29 Cb 0.53 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.30 1xcb n THR 29 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1xcb s SER 30 N 0.55 0.42 0.35 1.09 1.04 -1.26 -1.43 113.70 114.46 1xcb s SER 30 Ca 0.00 -1.30 0.19 0.00 0.48 0.00 0.00 55.95 55.32 1xcb s SER 30 Cb 0.00 0.77 0.44 0.00 0.10 0.00 0.00 66.02 67.33 1xcb s SER 30 CO 0.00 -1.51 1.62 0.77 0.98 0.00 0.00 173.24 175.09 1xcb h SER 31 N 2.05 0.00 -0.18 7.02 4.64 -1.96 -1.46 113.55 123.65 1xcb h SER 31 Ca -0.30 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.86 1xcb h SER 31 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1xcb h SER 31 CO 0.40 0.38 -0.49 -0.08 -0.87 0.00 0.00 176.83 176.17 1xcb h GLU 32 N 0.00 0.65 -0.00 4.77 4.81 -1.95 -2.16 114.58 120.70 1xcb h GLU 32 Ca -0.00 -0.46 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1xcb h GLU 32 Cb 1.09 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1xcb h GLU 32 CO 0.05 1.08 -0.02 0.37 -0.73 0.00 0.00 179.01 179.76 1xcb h GLN 33 N 0.34 0.02 -0.97 1.92 4.15 -1.94 -2.50 115.11 116.14 1xcb h GLN 33 Ca -0.01 -0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.49 1xcb h GLN 33 Cb 1.11 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.73 1xcb h GLN 33 CO 0.11 0.69 0.62 -0.07 -1.93 0.00 0.00 178.83 178.25 1xcb h LEU 34 N -0.64 0.91 -0.26 -2.39 3.38 -1.37 -1.94 115.31 112.99 1xcb h LEU 34 Ca -0.00 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1xcb h LEU 34 Cb 0.70 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1xcb h LEU 34 CO 0.00 0.52 -0.36 1.23 0.09 0.00 0.00 178.44 179.93 1xcb h GLY 35 N 1.00 0.77 2.00 0.83 0.00 -1.42 -0.60 103.07 105.64 1xcb h GLY 35 Ca 0.45 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1xcb h GLY 35 CO -0.21 0.76 -0.03 -2.09 0.00 0.00 0.00 176.54 174.97 1xcb h GLU 36 N 0.44 0.00 0.00 4.80 4.57 -0.95 0.44 114.58 123.88 1xcb h GLU 36 Ca 0.03 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.12 1xcb h GLU 36 Cb 0.95 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 1xcb h GLU 36 CO 0.08 0.03 -1.28 1.28 -1.18 0.00 0.00 179.01 177.94 1xcb n LEU 37 N -3.80 0.81 -0.25 1.64 4.77 -0.78 -3.75 117.00 115.64 1xcb n LEU 37 Ca -0.03 0.34 0.11 0.00 -0.03 0.00 0.00 56.01 56.40 1xcb n LEU 37 Cb 0.11 0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1xcb n LEU 37 CO 0.28 0.00 0.25 0.00 -1.33 0.00 0.00 177.39 176.59 1xcb n ALA 38 N -2.30 3.90 -2.95 -1.18 0.00 -0.26 -4.97 120.51 112.74 1xcb n ALA 38 Ca -0.06 -0.57 -0.12 0.00 0.00 0.00 0.00 53.44 52.70 1xcb n ALA 38 Cb 0.71 -0.86 0.06 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.74 -4.32 -4.14 0.00 6.02 0.14 -5.05 117.38 109.28 1xcb n GLN 39 Ca 0.08 0.53 -0.10 0.00 -0.01 0.00 0.00 57.00 57.49 1xcb n GLN 39 Cb 0.39 -4.61 -0.10 0.00 1.02 0.00 0.00 30.24 26.94 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 -3.22 0.06 0.25 5.09 -7.23 -0.35 -5.03 120.40 109.97 1xcb s VAL 40 Ca 0.07 -1.88 -0.30 0.00 -1.81 0.00 0.00 61.98 58.07 1xcb s VAL 40 Cb -0.03 -2.19 -0.09 0.00 0.56 0.00 0.00 36.38 34.63 1xcb s VAL 40 CO 0.46 -0.27 0.98 0.42 -0.31 0.00 0.00 175.10 176.38 1xcb s THR 41 N -4.08 3.91 0.38 5.32 -4.23 -1.26 -4.01 115.64 111.67 1xcb s THR 41 Ca 0.29 1.92 0.19 0.00 -1.18 0.00 0.00 61.69 62.91 1xcb s THR 41 Cb 0.07 -4.21 0.38 0.00 1.34 0.00 0.00 72.50 70.08 1xcb s THR 41 CO 0.05 0.45 1.67 0.00 -0.54 0.00 0.00 174.62 176.26 1xcb h ALA 42 N 4.02 2.22 -0.43 3.99 0.00 -1.88 2.00 119.26 129.18 1xcb h ALA 42 Ca -0.46 0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1xcb h ALA 42 Cb 1.20 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1xcb h ALA 42 CO 0.68 -0.80 0.29 0.35 0.00 0.00 0.00 179.25 179.76 1xcb h PHE 43 N 0.27 0.42 -0.51 0.00 3.57 -1.91 -1.04 116.94 117.74 1xcb h PHE 43 Ca 0.73 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 62.12 1xcb h PHE 43 Cb 1.89 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 40.47 1xcb h PHE 43 CO -0.01 0.24 -0.18 0.37 -2.23 0.00 0.00 178.31 176.51 1xcb h GLN 44 N 0.44 1.02 0.39 1.11 5.75 0.29 0.11 115.11 124.21 1xcb h GLN 44 Ca 0.18 -0.42 -0.02 0.00 -0.15 0.00 0.00 58.65 58.24 1xcb h GLN 44 Cb 0.16 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.67 1xcb h GLN 44 CO -0.04 1.10 -0.18 0.28 -2.65 0.00 0.00 178.83 177.33 1xcb h VAL 45 N 0.89 0.61 -0.69 2.39 2.07 -1.11 0.23 116.25 120.63 1xcb h VAL 45 Ca 0.12 -0.35 0.11 0.00 0.82 0.00 0.00 66.70 67.40 1xcb h VAL 45 Cb 0.76 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 1xcb h VAL 45 CO 0.06 0.07 0.28 0.03 0.02 0.00 0.00 177.57 178.03 1xcb h ARG 46 N -0.72 0.45 0.39 1.57 3.08 -1.22 -2.18 114.38 115.74 1xcb h ARG 46 Ca -0.05 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1xcb h ARG 46 Cb 0.51 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1xcb h ARG 46 CO 0.09 0.30 -0.20 -0.22 -1.07 0.00 0.00 179.97 178.86 1xcb h LYS 47 N 0.46 -0.52 -0.93 0.04 3.11 -0.48 -1.86 116.57 116.40 1xcb h LYS 47 Ca 0.36 0.04 0.09 0.00 -2.81 0.00 0.00 60.65 58.33 1xcb h LYS 47 Cb 0.48 0.12 -0.07 0.00 -1.00 0.00 0.00 32.23 31.77 1xcb h LYS 47 CO -0.34 -0.35 0.60 -0.44 -2.81 0.00 0.00 179.45 176.11 1xcb h ASP 48 N -0.54 0.87 0.34 4.20 3.32 -0.28 0.30 116.42 124.63 1xcb h ASP 48 Ca -0.05 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 1xcb h ASP 48 Cb 0.42 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1xcb h ASP 48 CO 0.08 0.52 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.81 1xcb h LEU 49 N 0.97 0.00 -1.42 1.55 4.07 -1.15 -2.92 115.31 116.41 1xcb h LEU 49 Ca 0.43 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.49 1xcb h LEU 49 Cb 0.36 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.05 1xcb h LEU 49 CO -0.19 0.24 0.50 0.28 -1.08 0.00 0.00 178.44 178.19 1xcb h SER 50 N 0.00 0.57 0.33 -0.43 0.02 0.46 -0.64 113.55 113.86 1xcb h SER 50 Ca -0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1xcb h SER 50 Cb 0.47 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1xcb h SER 50 CO 0.03 0.33 0.00 -1.22 -1.14 0.00 0.00 176.83 174.83 1xcb n TYR 51 N -4.50 0.08 -0.46 3.45 4.02 -1.10 -3.21 117.16 115.44 1xcb n TYR 51 Ca 0.13 0.03 0.02 0.00 -0.01 0.00 0.00 57.90 58.07 1xcb n TYR 51 Cb 0.37 -0.55 0.03 0.00 -0.02 0.00 0.00 39.34 39.16 1xcb n TYR 51 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1xcb n PHE 52 N -1.57 0.00 0.00 -0.72 3.01 -0.25 -5.03 117.46 112.89 1xcb n PHE 52 Ca 0.02 -0.49 0.00 0.00 1.01 0.00 0.00 57.45 57.99 1xcb n PHE 52 Cb 0.11 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 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 -0.57 2.88 3.69 1.37 0.00 -1.20 -5.02 105.19 106.34 1xcb n GLY 53 Ca 0.03 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 1xcb n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xcb s SER 54 N 0.00 6.55 0.03 1.61 0.15 -1.26 -4.51 113.70 116.27 1xcb s SER 54 Ca 0.00 2.56 0.05 0.00 0.70 0.00 0.00 55.95 59.26 1xcb s SER 54 Cb 0.00 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.73 1xcb s SER 54 CO 0.00 -0.92 -0.14 -0.31 1.20 0.00 0.00 173.24 173.07 1xcb s TYR 55 N 2.65 1.21 -1.11 3.44 1.51 -1.26 -4.83 117.35 118.96 1xcb s TYR 55 Ca 0.76 -0.33 -0.12 0.00 -1.01 0.00 0.00 57.07 56.36 1xcb s TYR 55 Cb -0.41 -0.73 0.12 0.00 -0.11 0.00 0.00 41.96 40.83 1xcb s TYR 55 CO 0.33 0.02 0.31 0.41 -1.11 0.00 0.00 175.55 175.52 1xcb n GLY 56 N 2.05 -0.22 0.00 0.71 0.00 -1.26 -4.80 105.19 101.67 1xcb n GLY 56 Ca -0.17 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1xcb n GLY 56 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xcb n THR 57 N -2.71 0.00 -1.18 2.61 5.66 -1.26 -4.52 114.28 112.89 1xcb n THR 57 Ca 0.03 1.12 -0.37 0.00 -3.05 0.00 0.00 64.05 61.77 1xcb n THR 57 Cb 0.29 -1.64 0.03 0.00 -1.55 0.00 0.00 70.33 67.46 1xcb n THR 57 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1xcb n ARG 58 N -1.43 0.07 -0.31 1.09 1.74 -1.26 -4.80 116.66 111.75 1xcb n ARG 58 Ca 0.00 0.03 0.03 0.00 -0.77 0.00 0.00 57.85 57.14 1xcb n ARG 58 Cb 0.00 -1.19 0.11 0.00 -1.02 0.00 0.00 32.46 30.36 1xcb n ARG 58 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1xcb h GLY 59 N -0.38 0.59 0.00 -0.13 0.00 -2.01 -3.30 103.07 97.83 1xcb h GLY 59 Ca -0.43 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1xcb h GLY 59 CO 0.37 -0.32 0.00 3.33 0.00 0.00 0.00 176.54 179.91 1xcb n VAL 60 N -5.55 0.00 0.00 4.60 0.24 -1.26 -4.91 118.33 111.44 1xcb n VAL 60 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 1xcb n VAL 60 Cb 0.44 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 1xcb n VAL 60 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xcb n GLY 61 N -0.15 0.48 3.23 7.63 0.00 -1.25 -4.99 105.19 110.14 1xcb n GLY 61 Ca 0.00 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.43 1.22 -0.22 1.61 1.51 -0.51 -4.40 117.35 115.13 1xcb s TYR 62 Ca 0.00 -1.20 0.00 0.00 -1.01 0.00 0.00 57.07 54.86 1xcb s TYR 62 Cb 0.00 -0.67 0.06 0.00 -0.11 0.00 0.00 41.96 41.23 1xcb s TYR 62 CO 0.00 -0.42 -0.05 0.95 -1.11 0.00 0.00 175.55 174.92 1xcb s THR 63 N -3.90 1.37 0.01 -0.71 -4.23 -1.26 -0.90 115.64 106.02 1xcb s THR 63 Ca 0.32 -1.06 -0.02 0.00 -1.18 0.00 0.00 61.69 59.74 1xcb s THR 63 Cb 0.07 -1.64 -0.00 0.00 1.34 0.00 0.00 72.50 72.27 1xcb s THR 63 CO 0.08 -0.07 0.13 0.52 -0.54 0.00 0.00 174.62 174.74 1xcb n VAL 64 N 4.74 -0.06 -0.17 2.29 0.31 0.16 0.38 118.33 125.99 1xcb n VAL 64 Ca -0.12 0.20 -0.02 0.00 -0.01 0.00 0.00 64.34 64.40 1xcb n VAL 64 Cb 0.45 -0.25 0.07 0.00 -0.91 0.00 0.00 33.84 33.19 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 0.10 0.14 5.55 0.11 -1.91 0.98 132.00 136.96 1xcb h PRO 65 Ca 0.02 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1xcb h PRO 65 Cb 0.04 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1xcb h PRO 65 CO -0.08 0.06 -0.07 0.28 -0.21 0.00 0.00 178.00 177.99 1xcb h VAL 66 N 0.10 1.03 -0.27 3.15 2.07 -0.45 -2.03 116.25 119.85 1xcb h VAL 66 Ca 0.27 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1xcb h VAL 66 Cb 0.41 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1xcb h VAL 66 CO -0.46 0.22 0.16 0.25 0.02 0.00 0.00 177.57 177.76 1xcb h LEU 67 N -0.67 0.32 -0.91 2.57 5.85 -1.42 0.32 115.31 121.38 1xcb h LEU 67 Ca -0.02 -0.05 0.17 0.00 0.84 0.00 0.00 57.88 58.81 1xcb h LEU 67 Cb 0.50 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.35 1xcb h LEU 67 CO 0.03 0.28 0.49 0.50 -0.34 0.00 0.00 178.44 179.40 1xcb h LYS 68 N 0.33 0.64 -0.08 1.25 3.64 -0.86 1.14 116.57 122.64 1xcb h LYS 68 Ca 0.10 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1xcb h LYS 68 Cb 0.02 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1xcb h LYS 68 CO -0.02 0.42 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.47 1xcb h ARG 69 N 0.66 0.15 -0.54 1.90 2.43 -0.51 -2.19 114.38 116.27 1xcb h ARG 69 Ca 0.51 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.70 1xcb h ARG 69 Cb 0.77 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.25 1xcb h ARG 69 CO -0.38 0.50 0.20 0.93 -1.51 0.00 0.00 179.97 179.71 1xcb h GLU 70 N -0.21 0.37 -0.57 0.20 4.39 0.25 -1.23 114.58 117.78 1xcb h GLU 70 Ca 0.02 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 1xcb h GLU 70 Cb 0.45 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1xcb h GLU 70 CO 0.01 0.24 0.06 -0.07 -1.16 0.00 0.00 179.01 178.09 1xcb h LEU 71 N 0.38 0.89 -1.34 1.33 3.38 0.12 -1.20 115.31 118.88 1xcb h LEU 71 Ca 0.27 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1xcb h LEU 71 Cb 0.30 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1xcb h LEU 71 CO -0.27 0.92 0.10 0.03 0.09 0.00 0.00 178.44 179.31 1xcb h ARG 72 N 0.87 0.55 -0.03 1.13 3.08 -0.66 -0.75 114.38 118.57 1xcb h ARG 72 Ca 0.17 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1xcb h ARG 72 Cb 0.43 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1xcb h ARG 72 CO 0.01 0.50 -0.03 1.25 -1.07 0.00 0.00 179.97 180.64 1xcb h HIS 73 N 0.54 0.10 0.11 3.04 2.76 -0.72 0.73 115.15 121.71 1xcb h HIS 73 Ca 0.13 -0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.29 1xcb h HIS 73 Cb 0.20 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.09 1xcb h HIS 73 CO 0.01 0.53 -0.36 0.82 -1.30 0.00 0.00 177.93 177.63 1xcb h ILE 74 N -0.36 0.26 0.00 6.26 2.04 -0.72 -1.46 117.51 123.52 1xcb h ILE 74 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1xcb h ILE 74 Cb 0.51 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1xcb h ILE 74 CO 0.01 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.34 1xcb n LEU 75 N -5.44 0.00 0.00 1.44 4.77 -0.33 -4.82 117.00 112.62 1xcb n LEU 75 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1xcb n LEU 75 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1xcb n LEU 75 CO 0.21 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1xcb n GLY 76 N 0.23 0.28 0.11 -0.72 0.00 -0.55 -4.87 105.19 99.68 1xcb n GLY 76 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.21 0.16 0.99 4.77 0.25 -3.66 117.00 119.71 1xcb n LEU 77 Ca 0.00 -0.11 0.13 0.00 -0.03 0.00 0.00 56.01 56.00 1xcb n LEU 77 Cb 0.22 -0.11 0.33 0.00 -2.33 0.00 0.00 43.42 41.54 1xcb n LEU 77 CO 0.00 0.05 0.86 -0.55 -1.33 0.00 0.00 177.39 176.42 1xcb h ASN 78 N 0.02 0.00 -0.78 -1.43 7.08 -1.68 -3.44 115.58 115.34 1xcb h ASN 78 Ca 0.00 0.00 -0.51 0.00 -3.08 0.00 0.00 56.30 52.71 1xcb h ASN 78 Cb 0.11 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.35 1xcb h ASN 78 CO 0.00 0.00 -0.17 0.00 -2.08 0.00 0.00 177.43 175.18 1xcb s ARG 79 N -3.19 2.32 -0.49 4.14 3.03 -1.24 -5.07 118.95 118.46 1xcb s ARG 79 Ca 0.08 -1.72 -0.03 0.00 2.03 0.00 0.00 55.73 56.10 1xcb s ARG 79 Cb 0.09 -2.50 0.13 0.00 -1.03 0.00 0.00 34.95 31.64 1xcb s ARG 79 CO 0.61 -0.75 0.30 0.21 -1.13 0.00 0.00 175.30 174.54 1xcb s LYS 80 N -4.54 2.22 0.38 3.89 2.20 -1.26 -4.64 119.74 118.00 1xcb s LYS 80 Ca 0.54 -2.11 -0.26 0.00 -0.36 0.00 0.00 55.97 53.77 1xcb s LYS 80 Cb -0.05 -3.64 -0.09 0.00 -1.51 0.00 0.00 37.83 32.54 1xcb s LYS 80 CO 0.34 -1.11 1.23 -1.58 -0.36 0.00 0.00 175.35 173.86 1xcb s TRP 81 N 0.65 3.02 -0.18 4.03 0.52 0.14 -4.87 118.94 122.24 1xcb s TRP 81 Ca 0.12 1.49 -0.14 0.00 0.02 0.00 0.00 56.10 57.59 1xcb s TRP 81 Cb -0.22 -3.53 -0.04 0.00 -1.15 0.00 0.00 33.47 28.53 1xcb s TRP 81 CO -0.04 -1.61 0.32 0.20 0.02 0.00 0.00 176.95 175.85 1xcb s GLY 82 N -0.87 2.16 0.13 0.98 0.00 -1.25 -1.03 107.32 107.44 1xcb s GLY 82 Ca 0.55 -0.50 0.06 0.00 0.00 0.00 0.00 44.72 44.82 1xcb s GLY 82 CO 0.45 0.57 0.01 1.08 0.00 0.00 0.00 173.10 175.21 1xcb s LEU 83 N 0.80 3.43 -0.01 0.66 1.43 0.98 -1.54 118.68 124.43 1xcb s LEU 83 Ca 0.17 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1xcb s LEU 83 Cb -0.14 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.96 1xcb s LEU 83 CO 0.05 0.13 0.05 0.00 0.23 0.00 0.00 176.35 176.82 1xcb s ILE 85 N -0.40 3.42 -0.36 0.00 1.01 0.34 0.01 121.20 125.21 1xcb s ILE 85 Ca -0.05 -1.85 -0.15 0.00 0.00 0.00 0.00 60.65 58.60 1xcb s ILE 85 Cb -0.03 -3.25 -0.00 0.00 0.01 0.00 0.00 42.46 39.19 1xcb s ILE 85 CO 0.00 -0.58 0.34 0.54 0.00 0.00 0.00 174.94 175.23 1xcb s VAL 86 N 1.21 5.20 0.00 2.92 0.11 -0.98 -1.24 120.40 127.61 1xcb s VAL 86 Ca 0.05 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.95 1xcb s VAL 86 Cb -0.23 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.79 1xcb s VAL 86 CO -0.03 -0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.21 1xcb n GLY 87 N 5.04 3.26 0.00 6.54 0.00 -1.17 -3.41 105.19 115.46 1xcb n GLY 87 Ca -0.10 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.78 0.48 0.07 -0.02 0.00 -1.26 -4.22 105.19 99.46 1xcb n GLY 89 Ca 0.00 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.01 -0.03 1.61 3.08 -1.99 -0.59 114.38 116.45 1xcb h ARG 90 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xcb h ARG 90 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1xcb h ARG 90 CO 0.00 0.80 0.01 1.25 -1.07 0.00 0.00 179.97 180.96 1xcb h LEU 91 N -0.89 0.05 -0.16 3.04 6.46 -1.90 -2.24 115.31 119.66 1xcb h LEU 91 Ca -0.00 -0.20 0.03 0.00 -0.12 0.00 0.00 57.88 57.59 1xcb h LEU 91 Cb 0.82 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.69 1xcb h LEU 91 CO 0.00 0.23 -0.37 1.23 -0.62 0.00 0.00 178.44 178.91 1xcb h GLY 92 N -0.14 -1.27 0.36 3.75 0.00 -1.73 0.73 103.07 104.76 1xcb h GLY 92 Ca 0.01 0.71 0.22 0.00 0.00 0.00 0.00 47.33 48.27 1xcb h GLY 92 CO -0.00 -0.32 0.59 1.76 0.00 0.00 0.00 176.54 178.56 1xcb h SER 93 N -0.35 0.16 0.03 0.19 0.02 -1.04 0.56 113.55 113.12 1xcb h SER 93 Ca 0.03 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1xcb h SER 93 Cb 0.44 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1xcb h SER 93 CO -0.34 0.06 -0.02 0.00 -1.14 0.00 0.00 176.83 175.40 1xcb h ALA 94 N 1.60 -0.04 -0.55 3.77 0.00 -0.46 -3.19 119.26 120.39 1xcb h ALA 94 Ca 0.42 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1xcb h ALA 94 Cb 1.39 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.11 1xcb h ALA 94 CO -0.07 -0.10 0.01 1.25 0.00 0.00 0.00 179.25 180.34 1xcb h LEU 95 N -0.90 -0.21 -1.26 0.00 5.85 0.14 0.44 115.31 119.36 1xcb h LEU 95 Ca -0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1xcb h LEU 95 Cb 0.70 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1xcb h LEU 95 CO 0.01 -0.08 0.29 0.00 -0.34 0.00 0.00 178.44 178.32 1xcb h ALA 96 N 1.49 1.23 -0.06 1.25 0.00 0.03 -0.02 119.26 123.18 1xcb h ALA 96 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1xcb h ALA 96 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xcb h ALA 96 CO -0.46 -0.23 0.00 -0.25 0.00 0.00 0.00 179.25 178.32 1xcb n ASP 97 N -2.32 2.08 -4.73 0.00 9.92 0.15 -4.82 116.55 116.83 1xcb n ASP 97 Ca -0.01 -1.90 -0.42 0.00 -0.53 0.00 0.00 54.79 51.93 1xcb n ASP 97 Cb 0.32 -0.04 -0.03 0.00 -0.64 0.00 0.00 41.12 40.73 1xcb n ASP 97 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1xcb s TYR 98 N -0.91 2.88 0.04 1.24 5.04 -0.02 -4.94 117.35 120.67 1xcb s TYR 98 Ca 0.05 0.45 -0.27 0.00 -2.44 0.00 0.00 57.07 54.86 1xcb s TYR 98 Cb 0.02 -4.11 -0.15 0.00 0.35 0.00 0.00 41.96 38.07 1xcb s TYR 98 CO 0.03 -4.11 1.35 -1.00 -1.34 0.00 0.00 175.55 170.48 1xcb h PRO 99 N 6.36 -0.93 -4.24 4.97 0.13 -1.92 -3.39 132.00 132.98 1xcb h PRO 99 Ca -0.44 0.06 -0.74 0.00 -0.87 0.00 0.00 66.00 64.01 1xcb h PRO 99 Cb 1.20 0.21 -0.15 0.00 0.13 0.00 0.00 31.00 32.39 1xcb h PRO 99 CO 0.92 -0.62 1.80 0.41 -0.23 0.00 0.00 178.00 180.27 1xcb n GLY 100 N -1.34 3.98 0.07 1.56 0.00 -1.26 -4.72 105.19 103.48 1xcb n GLY 100 Ca -0.12 -1.99 -0.06 0.00 0.00 0.00 0.00 46.02 43.85 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 6.49 0.00 0.00 1.61 -1.00 -1.91 -3.50 116.94 118.63 1xcb h PHE 101 Ca 0.37 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.15 1xcb h PHE 101 Cb 0.75 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.31 1xcb h PHE 101 CO 1.21 0.92 0.00 0.41 -1.61 0.00 0.00 178.31 179.24 1xcb n GLY 102 N 1.33 2.32 0.18 -1.45 0.00 -1.26 -4.49 105.19 101.81 1xcb n GLY 102 Ca 0.00 -2.05 0.12 0.00 0.00 0.00 0.00 46.02 44.09 1xcb n GLY 102 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1xcb h GLU 103 N 0.00 0.00 -0.02 1.61 4.11 -1.98 -3.31 114.58 114.99 1xcb h GLU 103 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xcb h GLU 103 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xcb h GLU 103 CO 0.00 0.00 -0.25 0.43 0.07 0.00 0.00 179.01 179.26 1xcb n SER 104 N -2.89 2.08 -4.11 3.06 7.64 -1.26 -4.85 113.62 113.29 1xcb n SER 104 Ca 0.03 -1.54 -0.29 0.00 1.01 0.00 0.00 58.87 58.08 1xcb n SER 104 Cb 0.52 0.30 -0.17 0.00 -1.01 0.00 0.00 64.21 63.86 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 -1.94 2.05 -0.02 1.43 0.40 -1.25 0.24 117.98 118.90 1xcb s PHE 105 Ca 0.18 -0.86 0.00 0.00 -0.60 0.00 0.00 56.93 55.65 1xcb s PHE 105 Cb 0.15 -1.43 0.03 0.00 0.51 0.00 0.00 43.02 42.28 1xcb s PHE 105 CO 0.39 -0.39 0.02 -2.00 0.70 0.00 0.00 175.22 173.94 1xcb s GLU 106 N 0.62 0.02 0.24 0.44 2.12 -0.20 -4.43 118.70 117.51 1xcb s GLU 106 Ca -0.14 0.16 -0.30 0.00 0.36 0.00 0.00 54.97 55.05 1xcb s GLU 106 Cb -0.16 -0.27 -0.09 0.00 0.26 0.00 0.00 34.13 33.86 1xcb s GLU 106 CO 0.04 -0.15 1.05 -0.51 -0.54 0.00 0.00 175.26 175.15 1xcb s LEU 107 N 1.01 4.56 0.00 2.70 1.43 -1.26 0.33 118.68 127.45 1xcb s LEU 107 Ca -0.09 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.15 1xcb s LEU 107 Cb -0.12 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1xcb s LEU 107 CO -0.03 -0.08 0.78 0.54 0.23 0.00 0.00 176.35 177.80 1xcb n ARG 108 N 1.59 0.00 0.00 1.70 1.74 0.28 -4.79 116.66 117.19 1xcb n ARG 108 Ca -0.00 -0.68 0.00 0.00 -0.77 0.00 0.00 57.85 56.39 1xcb n ARG 108 Cb 0.46 -0.37 0.00 0.00 -1.02 0.00 0.00 32.46 31.52 1xcb n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xcb n GLY 109 N 0.00 1.06 3.10 -0.13 0.00 -1.22 -4.98 105.19 103.02 1xcb n GLY 109 Ca 0.00 0.50 -0.33 0.00 0.00 0.00 0.00 46.02 46.18 1xcb n GLY 109 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xcb s PHE 110 N 0.00 3.42 0.60 1.61 0.40 -1.26 -0.50 117.98 122.25 1xcb s PHE 110 Ca 0.00 -2.35 0.04 0.00 -0.60 0.00 0.00 56.93 54.01 1xcb s PHE 110 Cb 0.00 -2.37 0.08 0.00 0.51 0.00 0.00 43.02 41.24 1xcb s PHE 110 CO 0.00 -0.88 0.83 -0.06 0.70 0.00 0.00 175.22 175.81 1xcb s PHE 111 N 1.11 2.01 0.00 0.36 0.40 -0.37 -1.70 117.98 119.78 1xcb s PHE 111 Ca -0.01 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 1xcb s PHE 111 Cb -0.20 -2.65 0.00 0.00 0.51 0.00 0.00 43.02 40.68 1xcb s PHE 111 CO -0.04 -1.20 0.00 -3.47 0.70 0.00 0.00 175.22 171.21 1xcb n ASP 112 N -2.43 0.00 -0.04 1.36 2.03 -0.92 -3.03 116.55 113.51 1xcb n ASP 112 Ca 0.13 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.29 1xcb n ASP 112 Cb 0.60 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.86 1xcb n ASP 112 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1xcb n VAL 113 N -0.52 1.61 -1.76 5.18 0.24 -1.26 -3.84 118.33 117.99 1xcb n VAL 113 Ca 0.00 -0.72 -0.42 0.00 -2.04 0.00 0.00 64.34 61.16 1xcb n VAL 113 Cb 0.00 -1.25 -0.03 0.00 -1.47 0.00 0.00 33.84 31.09 1xcb n VAL 113 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1xcb s ASP 114 N -6.39 6.47 0.59 -1.34 2.15 -1.26 -4.86 116.67 112.03 1xcb s ASP 114 Ca -0.17 2.69 0.34 0.00 0.43 0.00 0.00 52.55 55.85 1xcb s ASP 114 Cb 0.07 -2.56 1.87 0.00 -0.30 0.00 0.00 42.92 42.00 1xcb s ASP 114 CO 0.77 -0.98 2.21 -0.65 -0.17 0.00 0.00 175.17 176.35 1xcb h PRO 115 N 8.67 0.00 -0.44 4.34 0.11 -1.91 -2.50 132.00 140.28 1xcb h PRO 115 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1xcb h PRO 115 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1xcb h PRO 115 CO 0.94 0.04 0.25 0.93 -0.21 0.00 0.00 178.00 179.95 1xcb h GLU 116 N 0.00 0.60 0.00 1.05 3.07 -2.01 -3.32 114.58 113.97 1xcb h GLU 116 Ca -0.00 -0.05 -0.22 0.00 -0.50 0.00 0.00 59.36 58.59 1xcb h GLU 116 Cb 0.15 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.90 1xcb h GLU 116 CO 0.00 0.43 -1.66 1.63 -1.40 0.00 0.00 179.01 178.02 1xcb n LYS 117 N -4.43 0.55 -0.87 2.33 5.02 -1.03 -4.91 118.16 114.82 1xcb n LYS 117 Ca 0.03 0.27 -0.22 0.00 -2.02 0.00 0.00 58.31 56.38 1xcb n LYS 117 Cb 0.09 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.52 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 -4.38 0.00 0.00 -0.18 0.31 -0.97 -0.57 118.33 112.54 1xcb n VAL 118 Ca -0.32 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1xcb n VAL 118 Cb 0.67 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 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 3.67 0.62 3.87 2.92 0.00 -1.01 -4.89 105.19 110.36 1xcb n GLY 119 Ca 0.38 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.04 1xcb n GLY 119 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xcb s ARG 120 N 0.00 3.71 0.46 1.61 1.70 0.26 -4.81 118.95 121.89 1xcb s ARG 120 Ca 0.00 0.12 -0.24 0.00 -0.47 0.00 0.00 55.73 55.15 1xcb s ARG 120 Cb 0.00 -3.11 -0.08 0.00 -0.57 0.00 0.00 34.95 31.19 1xcb s ARG 120 CO 0.00 0.65 1.22 -2.30 -1.08 0.00 0.00 175.30 173.79 1xcb n PRO 121 N 1.35 1.71 -3.92 3.89 -0.02 -1.26 -1.82 135.00 134.94 1xcb n PRO 121 Ca -0.12 0.62 -0.15 0.00 -2.02 0.00 0.00 63.50 61.82 1xcb n PRO 121 Cb 0.53 -2.36 -0.15 0.00 -0.02 0.00 0.00 33.50 31.50 1xcb n PRO 121 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xcb s VAL 122 N -1.26 0.12 -0.05 -1.45 1.01 -0.47 -4.82 120.40 113.48 1xcb s VAL 122 Ca 0.65 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.68 1xcb s VAL 122 Cb -0.49 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 1xcb s VAL 122 CO 0.55 0.10 0.84 -1.14 0.00 0.00 0.00 175.10 175.45 1xcb n ARG 123 N 3.78 0.00 0.00 2.72 0.63 -1.26 -1.62 116.66 120.91 1xcb n ARG 123 Ca -0.22 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.71 1xcb n ARG 123 Cb 0.53 -0.78 0.00 0.00 0.45 0.00 0.00 32.46 32.67 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 3.54 0.74 0.00 5.14 0.00 -1.26 -5.00 105.19 108.35 1xcb n GLY 124 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.47 3.35 -0.02 0.00 -0.64 -4.89 105.19 102.52 1xcb n GLY 125 Ca 0.00 -2.09 -0.14 0.00 0.00 0.00 0.00 46.02 43.79 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 0.04 0.77 1.61 -7.23 -1.26 -1.37 120.40 112.97 1xcb s VAL 126 Ca 0.00 -0.35 -0.12 0.00 -1.81 0.00 0.00 61.98 59.70 1xcb s VAL 126 Cb 0.00 -0.89 0.06 0.00 0.56 0.00 0.00 36.38 36.11 1xcb s VAL 126 CO 0.00 -0.19 1.12 -0.63 -0.31 0.00 0.00 175.10 175.08 1xcb s ILE 127 N -2.02 2.96 0.02 -0.62 1.01 -0.75 -4.41 121.20 117.39 1xcb s ILE 127 Ca -0.08 0.36 -0.28 0.00 0.00 0.00 0.00 60.65 60.64 1xcb s ILE 127 Cb -0.02 -2.77 0.07 0.00 0.01 0.00 0.00 42.46 39.76 1xcb s ILE 127 CO 0.01 -0.37 0.65 -1.83 0.00 0.00 0.00 174.94 173.41 1xcb s GLU 128 N -4.59 1.13 1.21 2.79 -1.05 -0.69 -2.41 118.70 115.10 1xcb s GLU 128 Ca 0.65 0.02 -0.17 0.00 -0.15 0.00 0.00 54.97 55.32 1xcb s GLU 128 Cb -0.20 0.53 0.24 0.00 -0.44 0.00 0.00 34.13 34.26 1xcb s GLU 128 CO 0.52 -0.40 0.59 1.58 0.95 0.00 0.00 175.26 178.50 1xcb n HIS 129 N 0.49 -1.92 -0.78 4.83 -0.00 -1.25 -2.16 115.22 114.43 1xcb n HIS 129 Ca -0.18 -0.18 0.08 0.00 -0.00 0.00 0.00 57.72 57.44 1xcb n HIS 129 Cb 0.60 -1.55 0.35 0.00 -0.00 0.00 0.00 29.99 29.38 1xcb n HIS 129 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.34 177.67 1xcb n VAL 130 N -4.94 2.24 1.22 3.57 0.24 -1.26 -4.32 118.33 115.08 1xcb n VAL 130 Ca 0.04 -1.41 0.13 0.00 -2.04 0.00 0.00 64.34 61.06 1xcb n VAL 130 Cb 0.56 -0.08 0.36 0.00 -1.47 0.00 0.00 33.84 33.21 1xcb n VAL 130 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1xcb n ASP 131 N 0.57 0.98 -0.78 -1.34 10.43 -1.26 -3.57 116.55 121.57 1xcb n ASP 131 Ca 0.25 -0.83 0.08 0.00 2.57 0.00 0.00 54.79 56.86 1xcb n ASP 131 Cb 0.98 0.15 0.13 0.00 1.84 0.00 0.00 41.12 44.23 1xcb n ASP 131 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1xcb n LEU 132 N -0.73 2.78 -0.33 0.64 4.32 -1.26 -4.60 117.00 117.82 1xcb n LEU 132 Ca 0.11 -1.40 0.11 0.00 -0.02 0.00 0.00 56.01 54.81 1xcb n LEU 132 Cb 0.35 -0.14 0.29 0.00 -1.62 0.00 0.00 43.42 42.30 1xcb n LEU 132 CO 0.27 0.59 1.15 0.25 -1.22 0.00 0.00 177.39 178.43 1xcb h LEU 133 N 3.16 0.66 -2.00 2.23 5.85 -1.84 -2.29 115.31 121.08 1xcb h LEU 133 Ca 0.00 0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.91 1xcb h LEU 133 Cb 0.75 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1xcb h LEU 133 CO 0.00 0.24 0.22 -0.65 -0.34 0.00 0.00 178.44 177.90 1xcb h PRO 134 N 0.69 0.00 -0.51 5.25 0.11 -1.85 -2.75 132.00 132.95 1xcb h PRO 134 Ca 0.54 -0.00 -0.37 0.00 0.11 0.00 0.00 66.00 66.28 1xcb h PRO 134 Cb 0.83 -0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.60 1xcb h PRO 134 CO -0.39 0.00 -0.81 0.00 -0.21 0.00 0.00 178.00 176.59 1xcb n GLN 135 N -4.45 2.73 0.00 1.05 0.00 -0.88 -4.54 117.38 111.30 1xcb n GLN 135 Ca 0.04 -3.78 0.00 0.00 0.00 0.00 0.00 57.00 53.26 1xcb n GLN 135 Cb 0.38 -1.92 0.00 0.00 0.00 0.00 0.00 30.24 28.70 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 -0.71 3.81 -0.05 2.61 5.12 -1.11 -4.93 116.66 121.41 1xcb n ARG 136 Ca 0.31 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 56.20 1xcb n ARG 136 Cb 0.90 -0.67 -0.01 0.00 -1.16 0.00 0.00 32.46 31.51 1xcb n ARG 136 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1xcb h VAL 137 N 0.00 0.00 0.00 1.55 2.07 -1.73 -3.36 116.25 114.78 1xcb h VAL 137 Ca 0.00 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1xcb h VAL 137 Cb 0.02 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1xcb h VAL 137 CO 0.00 0.00 0.00 -2.65 0.02 0.00 0.00 177.57 174.94 1xcb n PRO 138 N -3.80 0.00 -0.06 1.57 -0.02 -1.26 0.14 135.00 131.58 1xcb n PRO 138 Ca -0.04 0.15 -0.15 0.00 -2.02 0.00 0.00 63.50 61.44 1xcb n PRO 138 Cb 0.16 -0.24 -0.06 0.00 -0.02 0.00 0.00 33.50 33.34 1xcb n PRO 138 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1xcb h GLY 139 N 0.00 0.67 0.00 -1.23 0.00 -1.95 -3.39 103.07 97.17 1xcb h GLY 139 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1xcb h GLY 139 CO 0.00 0.72 -1.22 -0.96 0.00 0.00 0.00 176.54 175.07 1xcb n ARG 140 N -4.25 0.85 -4.44 4.80 1.85 -0.80 -4.97 116.66 109.69 1xcb n ARG 140 Ca -0.06 -0.06 -0.27 0.00 -1.00 0.00 0.00 57.85 56.46 1xcb n ARG 140 Cb 0.53 -1.39 -0.17 0.00 -1.05 0.00 0.00 32.46 30.39 1xcb n ARG 140 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1xcb s ILE 141 N -2.93 1.36 -0.08 8.89 1.01 0.37 -3.88 121.20 125.95 1xcb s ILE 141 Ca 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1xcb s ILE 141 Cb 0.13 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 1xcb s ILE 141 CO 0.76 0.41 -0.07 -0.62 0.00 0.00 0.00 174.94 175.42 1xcb n GLU 142 N 4.17 0.19 -4.33 2.79 4.71 -0.59 -4.33 120.64 123.24 1xcb n GLU 142 Ca -0.19 0.05 -0.34 0.00 -0.01 0.00 0.00 57.16 56.66 1xcb n GLU 142 Cb 0.51 -1.12 -0.11 0.00 -1.01 0.00 0.00 31.44 29.71 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 -2.15 4.10 -0.18 -3.67 1.01 -0.91 0.75 121.20 120.15 1xcb s ILE 143 Ca -0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 60.65 60.25 1xcb s ILE 143 Cb 0.03 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.71 1xcb s ILE 143 CO 0.17 0.50 -0.14 0.00 0.00 0.00 0.00 174.94 175.47 1xcb s ALA 144 N 0.18 2.51 -0.32 9.38 0.00 -0.33 -1.60 121.76 131.58 1xcb s ALA 144 Ca -0.00 -1.12 -0.25 0.00 0.00 0.00 0.00 51.96 50.58 1xcb s ALA 144 Cb -0.13 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.68 1xcb s ALA 144 CO 0.02 -0.21 0.86 -0.51 0.00 0.00 0.00 175.76 175.92 1xcb s LEU 145 N 1.10 4.05 -0.76 0.00 1.02 0.10 -1.69 118.68 122.50 1xcb s LEU 145 Ca 0.00 0.70 -0.15 0.00 0.02 0.00 0.00 54.13 54.70 1xcb s LEU 145 Cb -0.14 -3.19 0.19 0.00 0.02 0.00 0.00 46.19 43.06 1xcb s LEU 145 CO -0.05 -0.71 0.74 -0.22 0.02 0.00 0.00 176.35 176.13 1xcb s LEU 146 N 3.18 6.43 -0.67 1.79 2.96 0.15 -2.33 118.68 130.19 1xcb s LEU 146 Ca 0.36 -2.38 0.04 0.00 -0.22 0.00 0.00 54.13 51.92 1xcb s LEU 146 Cb -0.13 -2.23 0.32 0.00 0.50 0.00 0.00 46.19 44.65 1xcb s LEU 146 CO 0.14 -0.70 1.07 0.35 -1.32 0.00 0.00 176.35 175.89 1xcb n THR 147 N 4.45 3.51 -4.22 3.68 -2.24 -1.22 -1.42 114.28 116.82 1xcb n THR 147 Ca 0.08 -5.61 -0.28 0.00 -2.27 0.00 0.00 64.05 55.96 1xcb n THR 147 Cb 0.45 -1.54 -0.09 0.00 -2.10 0.00 0.00 70.33 67.05 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 -4.12 3.50 0.53 2.28 1.01 -1.26 -4.43 120.40 117.91 1xcb s VAL 148 Ca 0.46 -1.35 -0.21 0.00 0.00 0.00 0.00 61.98 60.88 1xcb s VAL 148 Cb 0.24 -2.69 -0.07 0.00 0.00 0.00 0.00 36.38 33.86 1xcb s VAL 148 CO -0.11 0.01 0.97 -2.65 0.00 0.00 0.00 175.10 173.32 1xcb n PRO 149 N 0.35 1.09 -0.24 2.72 -0.02 -1.26 -4.57 135.00 133.07 1xcb n PRO 149 Ca -0.12 0.41 -0.06 0.00 -2.02 0.00 0.00 63.50 61.71 1xcb n PRO 149 Cb 0.54 -2.11 -0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 0.91 -0.15 -0.37 -0.52 1.12 -1.98 0.15 114.38 113.55 1xcb h ARG 150 Ca -0.47 0.01 0.04 0.00 -1.11 0.00 0.00 59.98 58.45 1xcb h ARG 150 Cb 1.35 0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 31.31 1xcb h ARG 150 CO 0.53 -0.10 0.15 1.05 -3.11 0.00 0.00 179.97 178.49 1xcb h GLU 151 N -0.15 0.30 0.00 0.20 9.09 -2.00 -2.42 114.58 119.60 1xcb h GLU 151 Ca 0.23 -0.02 -0.04 0.00 0.05 0.00 0.00 59.36 59.59 1xcb h GLU 151 Cb 0.56 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 1xcb h GLU 151 CO -0.74 0.20 -0.19 0.00 0.05 0.00 0.00 179.01 178.34 1xcb h ALA 152 N 1.22 1.11 -0.27 1.06 0.00 -1.63 -3.37 119.26 117.39 1xcb h ALA 152 Ca 0.17 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xcb h ALA 152 Cb 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1xcb h ALA 152 CO -0.15 0.24 -0.24 0.00 0.00 0.00 0.00 179.25 179.09 1xcb h ALA 153 N 1.81 -0.40 0.00 0.00 0.00 -0.21 -0.06 119.26 120.40 1xcb h ALA 153 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xcb h ALA 153 Cb 0.59 0.99 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1xcb h ALA 153 CO 0.02 -0.54 0.05 0.94 0.00 0.00 0.00 179.25 179.73 1xcb n GLN 154 N -3.88 0.10 -0.08 0.00 -0.06 -1.26 -0.20 117.38 112.00 1xcb n GLN 154 Ca -0.01 0.58 -0.14 0.00 -2.00 0.00 0.00 57.00 55.44 1xcb n GLN 154 Cb 0.13 -1.87 -0.14 0.00 -4.06 0.00 0.00 30.24 24.30 1xcb n GLN 154 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1xcb n LYS 155 N -2.02 0.68 0.16 3.69 3.00 -0.47 -3.36 118.16 119.84 1xcb n LYS 155 Ca -0.01 0.14 0.05 0.00 -0.00 0.00 0.00 58.31 58.49 1xcb n LYS 155 Cb 0.07 -1.60 0.09 0.00 0.00 0.00 0.00 35.03 33.59 1xcb n LYS 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xcb h ALA 156 N 0.55 0.77 0.70 3.14 0.00 -0.12 -3.13 119.26 121.16 1xcb h ALA 156 Ca -0.49 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.04 1xcb h ALA 156 Cb 2.07 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.80 1xcb h ALA 156 CO 0.01 0.48 -0.33 0.00 0.00 0.00 0.00 179.25 179.40 1xcb h ALA 157 N 1.62 -0.94 -0.09 0.00 0.00 -0.74 -2.98 119.26 116.13 1xcb h ALA 157 Ca -0.00 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1xcb h ALA 157 Cb 1.26 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1xcb h ALA 157 CO 0.05 -0.87 0.18 -0.44 0.00 0.00 0.00 179.25 178.17 1xcb h ASP 158 N -1.24 0.00 -0.24 0.00 3.32 -1.63 -0.13 116.42 116.50 1xcb h ASP 158 Ca -0.10 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 1xcb h ASP 158 Cb 0.72 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1xcb h ASP 158 CO 0.16 0.00 -0.15 0.25 -1.72 0.00 0.00 179.24 177.77 1xcb h LEU 159 N 0.00 0.54 0.21 1.55 5.85 -1.48 -3.08 115.31 118.91 1xcb h LEU 159 Ca 0.04 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1xcb h LEU 159 Cb 0.41 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1xcb h LEU 159 CO -0.00 0.86 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.79 1xcb h LEU 160 N 0.23 -0.24 -1.92 2.25 3.38 -0.88 -1.72 115.31 116.41 1xcb h LEU 160 Ca 0.05 -0.09 0.39 0.00 0.09 0.00 0.00 57.88 58.31 1xcb h LEU 160 Cb 0.67 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 1xcb h LEU 160 CO 0.04 -0.06 1.02 0.58 0.09 0.00 0.00 178.44 180.12 1xcb h VAL 161 N -0.42 0.26 0.07 1.22 2.07 -1.49 0.13 116.25 118.08 1xcb h VAL 161 Ca -0.03 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.31 1xcb h VAL 161 Cb 0.32 0.28 0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1xcb h VAL 161 CO 0.05 0.00 -0.75 0.00 0.02 0.00 0.00 177.57 176.89 1xcb h ALA 162 N 1.23 -0.01 0.00 1.67 0.00 -1.23 -2.97 119.26 117.94 1xcb h ALA 162 Ca 0.64 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xcb h ALA 162 Cb 2.67 0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.53 1xcb h ALA 162 CO -0.01 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1xcb n ALA 163 N -2.63 2.34 -2.91 0.00 0.00 0.36 -4.85 120.51 112.82 1xcb n ALA 163 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 1xcb n ALA 163 Cb 0.77 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 0.19 -1.21 3.87 0.00 0.00 -0.75 -3.98 105.19 103.31 1xcb n GLY 164 Ca 0.00 0.65 -0.37 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.86 5.46 -0.08 -0.61 1.10 -0.97 -4.51 121.20 118.74 1xcb s ILE 165 Ca 0.07 0.27 -0.18 0.00 -0.51 0.00 0.00 60.65 60.30 1xcb s ILE 165 Cb -0.02 -3.43 -0.14 0.00 0.15 0.00 0.00 42.46 39.02 1xcb s ILE 165 CO 0.71 0.61 0.67 0.11 -2.11 0.00 0.00 174.94 174.93 1xcb h LYS 166 N 5.00 -0.15 -4.14 3.50 1.79 0.07 -3.45 116.57 119.20 1xcb h LYS 166 Ca -0.54 0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 57.77 1xcb h LYS 166 Cb 1.23 0.03 -0.19 0.00 -1.58 0.00 0.00 32.23 31.72 1xcb h LYS 166 CO 0.59 0.28 -0.70 0.20 -1.08 0.00 0.00 179.45 178.74 1xcb s GLY 167 N -3.47 0.35 -0.19 3.86 0.00 0.10 -2.48 107.32 105.48 1xcb s GLY 167 Ca -0.11 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 43.81 1xcb s GLY 167 CO 0.41 -0.89 -0.15 -0.42 0.00 0.00 0.00 173.10 172.05 1xcb s ILE 168 N -2.21 1.87 -0.53 0.90 1.01 0.34 -1.19 121.20 121.40 1xcb s ILE 168 Ca -0.08 -1.01 -0.20 0.00 0.00 0.00 0.00 60.65 59.36 1xcb s ILE 168 Cb -0.05 -1.82 0.06 0.00 0.01 0.00 0.00 42.46 40.67 1xcb s ILE 168 CO -0.03 0.33 0.69 -0.22 0.00 0.00 0.00 174.94 175.71 1xcb s LEU 169 N 1.33 4.89 -0.32 2.97 2.96 -0.68 -0.03 118.68 129.79 1xcb s LEU 169 Ca 0.01 -0.92 -0.11 0.00 -0.22 0.00 0.00 54.13 52.89 1xcb s LEU 169 Cb -0.15 -2.47 -0.01 0.00 0.50 0.00 0.00 46.19 44.06 1xcb s LEU 169 CO -0.10 -0.99 0.18 0.21 -1.32 0.00 0.00 176.35 174.33 1xcb s ASN 170 N 2.89 5.75 0.03 3.68 2.47 0.17 -0.68 114.94 129.25 1xcb s ASN 170 Ca 0.17 -0.48 0.25 0.00 0.42 0.00 0.00 52.86 53.22 1xcb s ASN 170 Cb -0.19 -2.05 0.48 0.00 -1.45 0.00 0.00 41.25 38.03 1xcb s ASN 170 CO 0.12 -0.21 1.40 0.49 -3.72 0.00 0.00 177.10 175.18 1xcb n PHE 171 N 5.03 0.12 -2.77 0.43 3.01 -0.50 -1.87 117.46 120.91 1xcb n PHE 171 Ca -0.13 0.03 -0.40 0.00 1.01 0.00 0.00 57.45 57.96 1xcb n PHE 171 Cb 0.49 -0.35 -0.05 0.00 -0.01 0.00 0.00 39.48 39.57 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 -3.04 3.30 0.00 4.37 0.00 -1.24 -4.88 121.76 120.28 1xcb s ALA 172 Ca 0.10 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1xcb s ALA 172 Cb 0.17 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1xcb s ALA 172 CO 0.70 0.09 0.37 -0.35 0.00 0.00 0.00 175.76 176.57 1xcb n PRO 173 N 2.24 0.19 -3.81 0.00 -0.04 -1.26 -4.69 135.00 127.61 1xcb n PRO 173 Ca -0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1xcb n PRO 173 Cb 0.48 -1.41 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 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 1.62 -0.02 -0.50 0.52 0.11 -1.26 -5.08 120.40 115.80 1xcb s VAL 174 Ca 0.00 0.07 -0.28 0.00 -2.93 0.00 0.00 61.98 58.84 1xcb s VAL 174 Cb 0.00 -0.14 0.01 0.00 -1.53 0.00 0.00 36.38 34.71 1xcb s VAL 174 CO 0.00 0.03 1.46 -0.69 -3.33 0.00 0.00 175.10 172.57 1xcb s VAL 175 N 0.42 3.79 0.82 2.04 1.01 -1.26 -4.99 120.40 122.23 1xcb s VAL 175 Ca -0.03 0.72 -0.13 0.00 0.00 0.00 0.00 61.98 62.54 1xcb s VAL 175 Cb -0.05 -4.29 0.07 0.00 0.00 0.00 0.00 36.38 32.12 1xcb s VAL 175 CO -0.02 -0.97 1.08 0.18 0.00 0.00 0.00 175.10 175.38 1xcb n LEU 176 N 9.53 3.70 -3.98 3.92 7.99 -1.26 -5.00 117.00 131.89 1xcb n LEU 176 Ca 0.15 0.56 -0.31 0.00 -0.01 0.00 0.00 56.01 56.39 1xcb n LEU 176 Cb 0.49 -1.46 -0.15 0.00 -0.11 0.00 0.00 43.42 42.19 1xcb n LEU 176 CO 0.71 -1.99 -0.39 -1.61 -1.51 0.00 0.00 177.39 172.59 1xcb s GLU 177 N -4.01 1.66 0.12 3.23 0.41 -1.26 -5.11 118.70 113.75 1xcb s GLU 177 Ca 0.71 -1.39 -0.00 0.00 -0.41 0.00 0.00 54.97 53.88 1xcb s GLU 177 Cb -0.29 -2.82 -0.04 0.00 -1.78 0.00 0.00 34.13 29.21 1xcb s GLU 177 CO 0.53 -0.74 0.03 0.14 -0.49 0.00 0.00 175.26 174.73 1xcb s VAL 178 N 1.17 0.25 0.46 2.63 -7.23 -1.26 -4.87 120.40 111.55 1xcb s VAL 178 Ca 0.00 -1.91 -0.21 0.00 -1.81 0.00 0.00 61.98 58.06 1xcb s VAL 178 Cb -0.19 -1.95 -0.09 0.00 0.56 0.00 0.00 36.38 34.71 1xcb s VAL 178 CO -0.08 -0.58 1.03 -2.16 -0.31 0.00 0.00 175.10 173.00 1xcb s PRO 179 N -3.99 3.94 0.63 4.82 0.04 -1.26 -4.90 135.00 134.27 1xcb s PRO 179 Ca 0.21 1.36 0.25 0.00 0.04 0.00 0.00 61.00 62.85 1xcb s PRO 179 Cb 0.07 -2.20 1.26 0.00 0.04 0.00 0.00 34.50 33.68 1xcb s PRO 179 CO -0.00 -0.32 1.71 1.57 0.04 0.00 0.00 177.00 180.00 1xcb h LYS 180 N 1.81 0.00 0.00 4.56 5.09 -2.03 0.52 116.57 126.51 1xcb h LYS 180 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.25 1xcb h LYS 180 Cb 1.21 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.54 1xcb h LYS 180 CO 0.60 0.00 0.15 0.93 -2.09 0.00 0.00 179.45 179.04 1xcb h GLU 181 N 0.00 0.00 -4.54 0.07 4.39 -1.97 -3.41 114.58 109.11 1xcb h GLU 181 Ca 0.14 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.55 1xcb h GLU 181 Cb 1.32 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.75 1xcb h GLU 181 CO -0.00 0.00 -0.74 0.54 -1.16 0.00 0.00 179.01 177.65 1xcb s VAL 182 N -3.60 0.54 -0.02 3.13 0.11 0.17 -4.95 120.40 115.78 1xcb s VAL 182 Ca -0.02 -0.90 -0.06 0.00 -2.93 0.00 0.00 61.98 58.06 1xcb s VAL 182 Cb 0.06 -0.57 -0.05 0.00 -1.53 0.00 0.00 36.38 34.30 1xcb s VAL 182 CO 0.20 -0.26 0.24 0.00 -3.33 0.00 0.00 175.10 171.94 1xcb s ALA 183 N -1.10 3.87 -0.09 1.54 0.00 -1.04 -4.80 121.76 120.14 1xcb s ALA 183 Ca -0.07 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.31 1xcb s ALA 183 Cb -0.08 -2.03 0.01 0.00 0.00 0.00 0.00 23.12 21.02 1xcb s ALA 183 CO 0.00 0.65 -0.18 0.08 0.00 0.00 0.00 175.76 176.32 1xcb s VAL 184 N -1.25 1.60 -0.14 0.00 1.01 -1.26 0.13 120.40 120.50 1xcb s VAL 184 Ca 0.25 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1xcb s VAL 184 Cb -0.13 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.85 1xcb s VAL 184 CO 0.14 0.46 -0.15 -0.70 0.00 0.00 0.00 175.10 174.86 1xcb s GLU 185 N 0.60 2.31 -0.13 2.72 2.56 0.96 -4.96 118.70 122.76 1xcb s GLU 185 Ca -0.15 -0.57 -0.14 0.00 0.00 0.00 0.00 54.97 54.11 1xcb s GLU 185 Cb -0.17 -2.07 -0.05 0.00 2.00 0.00 0.00 34.13 33.84 1xcb s GLU 185 CO 0.05 -0.20 0.32 -0.80 -0.56 0.00 0.00 175.26 174.08 1xcb s ASN 186 N 1.37 6.52 0.28 -1.70 0.01 -1.26 0.42 114.94 120.58 1xcb s ASN 186 Ca 0.02 0.61 -0.09 0.00 -0.71 0.00 0.00 52.86 52.70 1xcb s ASN 186 Cb -0.13 -2.20 -0.07 0.00 0.41 0.00 0.00 41.25 39.26 1xcb s ASN 186 CO -0.09 0.14 0.60 -0.69 -1.51 0.00 0.00 177.10 175.55 1xcb s VAL 187 N 0.17 4.92 -0.46 1.60 1.01 -0.78 -4.92 120.40 121.94 1xcb s VAL 187 Ca 0.19 0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.64 1xcb s VAL 187 Cb -0.14 -3.67 0.23 0.00 0.00 0.00 0.00 36.38 32.80 1xcb s VAL 187 CO 0.06 -0.22 0.70 -0.67 0.00 0.00 0.00 175.10 174.97 1xcb n ASP 188 N -0.56 -1.86 0.24 3.32 4.64 -1.26 -4.79 116.55 116.28 1xcb n ASP 188 Ca 0.00 -2.97 0.09 0.00 -1.38 0.00 0.00 54.79 50.54 1xcb n ASP 188 Cb 0.53 0.86 0.32 0.00 -1.04 0.00 0.00 41.12 41.79 1xcb n ASP 188 CO 0.00 0.00 0.00 -0.26 -0.82 0.00 0.00 177.20 176.12 1xcb h PHE 189 N 4.34 0.00 -0.17 -0.67 0.05 -1.97 0.68 116.94 119.20 1xcb h PHE 189 Ca -0.01 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.78 1xcb h PHE 189 Cb 0.99 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.94 1xcb h PHE 189 CO 0.16 0.00 0.00 1.28 -0.18 0.00 0.00 178.31 179.57 1xcb n LEU 190 N -2.78 2.65 -0.34 1.54 4.77 -1.26 -4.39 117.00 117.19 1xcb n LEU 190 Ca 0.03 -1.02 0.10 0.00 -0.03 0.00 0.00 56.01 55.10 1xcb n LEU 190 Cb 0.89 -0.10 0.30 0.00 -2.33 0.00 0.00 43.42 42.18 1xcb n LEU 190 CO 0.08 0.51 1.22 0.00 -1.33 0.00 0.00 177.39 177.87 1xcb h ALA 191 N 4.47 1.65 0.00 -1.18 0.00 -0.03 -1.78 119.26 122.39 1xcb h ALA 191 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xcb h ALA 191 Cb 0.82 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1xcb h ALA 191 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1xcb n GLY 192 N -1.36 -0.87 0.31 0.00 0.00 -1.26 -3.43 105.19 98.58 1xcb n GLY 192 Ca 0.20 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1xcb n GLY 192 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xcb h LEU 193 N 0.00 0.00 -0.01 0.99 3.38 -1.65 -1.08 115.31 116.94 1xcb h LEU 193 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 1xcb h LEU 193 Cb 0.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1xcb h LEU 193 CO 0.00 0.00 -1.10 0.74 0.09 0.00 0.00 178.44 178.17 1xcb h THR 194 N 0.00 1.38 -0.91 0.22 2.02 -1.80 0.96 112.91 114.79 1xcb h THR 194 Ca 0.08 -2.58 -0.00 0.00 0.77 0.00 0.00 66.41 64.68 1xcb h THR 194 Cb 0.33 2.61 -0.04 0.00 -1.74 0.00 0.00 68.15 69.31 1xcb h THR 194 CO -0.00 0.77 0.56 0.03 0.37 0.00 0.00 175.52 177.25 1xcb h ARG 195 N 0.22 1.22 0.17 6.66 2.47 -1.49 -0.92 114.38 122.70 1xcb h ARG 195 Ca -0.13 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 1xcb h ARG 195 Cb 1.77 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 29.83 1xcb h ARG 195 CO 0.20 0.84 -0.08 1.25 0.56 0.00 0.00 179.97 182.74 1xcb h LEU 196 N 1.25 -0.19 -0.52 3.04 5.85 -1.14 -2.16 115.31 121.43 1xcb h LEU 196 Ca 0.33 -0.22 0.10 0.00 0.84 0.00 0.00 57.88 58.94 1xcb h LEU 196 Cb -0.08 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 40.90 1xcb h LEU 196 CO -0.06 0.12 -0.23 -1.28 -0.34 0.00 0.00 178.44 176.65 1xcb h SER 197 N -0.52 -0.79 -0.35 1.25 0.87 -0.52 0.03 113.55 113.52 1xcb h SER 197 Ca -0.02 0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1xcb h SER 197 Cb 0.40 0.44 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 1xcb h SER 197 CO 0.04 -0.25 0.18 0.15 -0.53 0.00 0.00 176.83 176.41 1xcb h PHE 198 N -0.11 0.53 0.00 2.24 3.57 -1.11 -2.49 116.94 119.57 1xcb h PHE 198 Ca 0.24 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.62 1xcb h PHE 198 Cb 0.48 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1xcb h PHE 198 CO -0.52 0.40 -0.52 0.00 -2.23 0.00 0.00 178.31 175.44 1xcb h ALA 199 N 1.66 1.13 -0.02 2.41 0.00 -0.36 -2.41 119.26 121.67 1xcb h ALA 199 Ca 0.14 -0.48 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 1xcb h ALA 199 Cb 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1xcb h ALA 199 CO -0.02 0.66 -0.74 0.82 0.00 0.00 0.00 179.25 179.97 1xcb h ILE 200 N 0.00 1.48 -0.00 0.00 2.04 -0.80 -2.97 117.51 117.25 1xcb h ILE 200 Ca -0.01 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.47 1xcb h ILE 200 Cb 0.93 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 1xcb h ILE 200 CO 0.07 0.69 -0.30 0.18 0.00 0.00 0.00 178.15 178.79 1xcb n LEU 201 N -3.72 0.36 -3.64 1.44 4.77 -1.10 -4.46 117.00 110.64 1xcb n LEU 201 Ca -0.02 0.15 -0.27 0.00 -0.03 0.00 0.00 56.01 55.83 1xcb n LEU 201 Cb 0.71 -0.32 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 1xcb n LEU 201 CO 0.45 0.09 -0.11 0.59 -1.33 0.00 0.00 177.39 177.08 1xcb n ASN 202 N -1.41 2.05 0.11 -1.43 3.02 -0.92 -4.95 115.26 111.72 1xcb n ASN 202 Ca 0.07 -3.00 -0.05 0.00 -0.03 0.00 0.00 54.58 51.57 1xcb n ASN 202 Cb 0.33 -0.68 -0.02 0.00 -0.61 0.00 0.00 39.78 38.79 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 5.15 -0.29 -0.73 3.52 0.11 -1.78 0.42 132.00 138.39 1xcb h PRO 203 Ca 0.18 0.02 0.17 0.00 0.11 0.00 0.00 66.00 66.48 1xcb h PRO 203 Cb 0.79 0.07 -0.14 0.00 0.11 0.00 0.00 31.00 31.82 1xcb h PRO 203 CO 0.63 -0.19 -0.09 0.36 -0.21 0.00 0.00 178.00 178.50 1xcb n LYS 204 N -2.98 -0.06 0.00 1.05 0.00 -1.26 -0.82 118.16 114.09 1xcb n LYS 204 Ca -0.04 1.12 0.00 0.00 -0.00 0.00 0.00 58.31 59.39 1xcb n LYS 204 Cb 0.13 -1.72 0.00 0.00 -0.00 0.00 0.00 35.03 33.43 1xcb n LYS 204 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.40 179.27 1xcb n TRP 205 N -5.10 0.00 0.00 5.58 -0.00 -1.11 -5.29 117.44 111.52 1xcb n TRP 205 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.64 1xcb n TRP 205 Cb 0.46 -0.46 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 1xcb n TRP 205 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 177.69 175.56